| 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 | 72.4 | Confident | 91.6 | Very high | 123 Ų | 123 | 33.2 Ų | 33.2 | 61% | 0.606 | 17% | 0.169 | S | C | * | . | 0 | 153.8 | 0 | -69 | 171.2 | -84.2 | 0 | 0 | 108.3 | K83 E168 | M1-K83 VanDerWaalsContact CE-NZ 3.29Å; M1-K83 WeakPolarHBondContact SD-CE 3.22Å; M1-K83 PolarHBondContact SD-NZ 2.76Å; M1-E168 PolarHBondContact O-N 2.85Å | |||
| 2 | S | 85.1 | Confident | 91.7 | Very high | 46 Ų | 46 | 37.7 Ų | 37.7 | 32% | 0.322 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 151.7 | 179.3 | 47.9 | 0 | 0 | 0 | 0 | 111 | V166 | S2-V166 CarbonylContact C-O 3.56Å; S2-V166 WeakPolarHBondContact CA-O 3.35Å |
| 3 | V | 89.9 | Confident | 91.8 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 123.2 | 171.4 | 166.7 | 0 | 0 | 0 | 0 | 107.5 | V5 I63 Y82 L165 V166 E168 | V3-V5 HydrophobicContact CG1-CG2 4.11Å; V3-I63 HydrophobicContact CB-CD1 3.78Å; V3-I63 HydrophobicContact CG1-CD1 3.16Å; V3-I63 HydrophobicContact CG2-CD1 3.37Å; V3-Y82 WeakPolarHBondContact CA-O 3.28Å; V3-L165 WeakPolarHBondContact O-CA 3.31Å; V3-V166 HydrophobicContact CB-CG2 3.83Å; V3-V166 HydrophobicContact CG1-CG2 4.06Å; V3-V166 PolarHBondContact N-O 3.04Å; V3-V166 PolarHBondContact O-N 3.36Å; V3-E168 HydrophobicContact CG2-CB 4.42Å |
| 4 | E | 93.3 | Very high | 91.9 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 2% | 0.023 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 122.3 | 169.8 | -175.3 | -174.1 | 177.5 | 0 | 0 | 108.6 | E6 K60 R81 Y82 E163 L165 | E4-E6 HydrophobicContact CG-CB 4.49Å; E4-K60 VanDerWaalsContact CD-NZ 3.28Å; E4-K60 IonicContact OE1-NZ 3.45Å; E4-K60 PolarHBondContact OE1-NZ 2.78Å; E4-K60 VanDerWaalsContact OE1-NZ 3.08Å; E4-K60 WeakPolarHBondContact OE2-CE 3.33Å; E4-K60 IonicContact OE2-NZ 2.62Å; E4-K60 PolarHBondContact OE2-NZ 3.38Å; E4-R81 VanDerWaalsContact O-CA 3.25Å; E4-R81 WeakPolarHBondContact O-CA 3.36Å; E4-Y82 PolarHBondContact N-O 2.86Å; E4-Y82 PolarHBondContact O-N 2.68Å; E4-E163 HydrophobicContact CG-CG 3.73Å; E4-L165 HydrophobicContact CB-CD2 4.01Å; E4-L165 HydrophobicContact CG-CD2 4.37Å |
| 5 | V | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.6 | 166.8 | -170.8 | 0 | 0 | 0 | 0 | 106.7 | V3 C79 T80 R81 E163 V164 V166 I172 A175 Q176 I179 | V3-V5 HydrophobicContact CG1-CG2 4.11Å; V5-C79 HydrophobicContact CG1-CB 4.09Å; V5-T80 WeakPolarHBondContact CA-O 3.45Å; V5-R81 HydrophobicContact CG1-CG 4.39Å; V5-R81 HydrophobicContact CG2-CG 4.49Å; V5-E163 WeakPolarHBondContact O-CA 3.49Å; V5-V164 PolarHBondContact N-O 3.09Å; V5-V164 PolarHBondContact O-N 3.47Å; V5-V166 HydrophobicContact CG2-CG2 4.39Å; V5-I172 HydrophobicContact CG2-CG2 4.03Å; V5-A175 HydrophobicContact CB-CB 4.09Å; V5-A175 HydrophobicContact CG1-CB 4.42Å; V5-A175 HydrophobicContact CG2-CB 3.92Å; V5-Q176 HydrophobicContact CG1-CG 4.03Å; V5-I179 HydrophobicContact CB-CD1 4.08Å; V5-I179 HydrophobicContact CG1-CD1 3.7Å; V5-I179 WeakPolarHBondContact O-CD1 3.4Å |
| 6 | E | 95 | Very high | 92.3 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.019 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 146.4 | -173.6 | 55.8 | 160.8 | -163.9 | 0 | 0 | 112.4 | E4 K8 C79 T80 I162 | E4-E6 HydrophobicContact CG-CB 4.49Å; E6-K8 IonicContact OE1-NZ 3.04Å; E6-K8 PolarHBondContact OE1-NZ 3.4Å; E6-K8 IonicContact OE2-NZ 3.76Å; E6-K8 PolarHBondContact OE2-NZ 3.43Å; E6-C79 CarbonylContact O-C 3.59Å; E6-C79 WeakPolarHBondContact O-CA 3.35Å; E6-C79 WeakPolarHBondContact O-CB 3.45Å; E6-T80 WeakPolarHBondContact CG-OG1 3.25Å; E6-T80 PolarHBondContact N-O 3.49Å; E6-T80 PolarHBondContact O-N 2.69Å; E6-T80 PolarHBondContact OE1-OG1 3.43Å; E6-I162 CarbonylContact C-O 3.55Å; E6-I162 WeakPolarHBondContact CA-O 3.49Å |
| 7 | R | 95 | Very high | 92.4 | Very high | 23 Ų | 23 | 46.9 Ų | 46.9 | 9% | 0.087 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 130.1 | 165.9 | 175.6 | 177.2 | 175.9 | -170.2 | -5.5 | 109.5 | L78 E161 I162 I179 L188 E190 | R7-L78 HydrophobicContact CG-CB 4.24Å; R7-L78 VanDerWaalsContact CZ-CD1 3.49Å; R7-E161 WeakPolarHBondContact O-CA 3.28Å; R7-I162 PolarHBondContact N-O 3.16Å; R7-I162 PolarHBondContact O-N 3.02Å; R7-I179 HydrophobicContact CB-CG2 3.38Å; R7-I179 HydrophobicContact CG-CG2 4.36Å; R7-L188 PolarHBondContact NH2-O 3.49Å; R7-E190 PolarHBondContact NH2-O 3.39Å |
| 8 | K | 96.2 | Very high | 92.6 | Very high | 30 Ų | 30 | 45.8 Ų | 45.8 | 13% | 0.13 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 146.6 | 175.3 | -73.4 | 166.5 | 168.7 | 53.4 | 0 | 111.4 | E6 V159 G160 E161 V194 | E6-K8 IonicContact OE1-NZ 3.04Å; E6-K8 PolarHBondContact OE1-NZ 3.4Å; E6-K8 IonicContact OE2-NZ 3.76Å; E6-K8 PolarHBondContact OE2-NZ 3.43Å; K8-V159 HydrophobicContact CB-CG2 4.08Å; K8-V159 HydrophobicContact CG-CG2 4.18Å; K8-G160 CarbonylContact C-O 3.44Å; K8-G160 VanDerWaalsContact CA-O 3.26Å; K8-G160 WeakPolarHBondContact CA-O 3.25Å; K8-E161 WeakPolarHBondContact CE-OE1 3.39Å; K8-E161 HydrophobicContact CG-CG 3.87Å; K8-E161 IonicContact NZ-OE1 2.68Å; K8-E161 PolarHBondContact NZ-OE1 3.23Å; K8-V194 HydrophobicContact CB-CB 4Å; K8-V194 HydrophobicContact CB-CG1 4.32Å |
| 9 | F | 96.8 | Very high | 92.8 | Very high | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 156 | 175.4 | 62.5 | -81.9 | 0 | 0 | 0 | 110.7 | F11 T15 I19 I148 L150 G160 I162 L188 | F9-F11 HydrophobicContact CD2-CB 4.15Å; F9-F11 HydrophobicContact CE2-CB 3.87Å; F9-T15 HydrophobicContact CD2-CG2 4.13Å; F9-T15 HydrophobicContact CE2-CG2 3.7Å; F9-I19 HydrophobicContact CE2-CD1 4.31Å; F9-I19 HydrophobicContact CZ-CD1 4.18Å; F9-I148 HydrophobicContact CE1-CG2 4.32Å; F9-I148 HydrophobicContact CZ-CG2 3.91Å; F9-L150 HydrophobicContact CE2-CD2 4.06Å; F9-L150 HydrophobicContact CZ-CD2 3.85Å; F9-G160 VanDerWaalsContact CD1-C 3.46Å; F9-G160 VanDerWaalsContact CD1-O 3.32Å; F9-G160 WeakPolarHBondContact CD1-O 3.49Å; F9-G160 PolarHBondContact N-O 2.91Å; F9-G160 PolarHBondContact O-N 2.91Å; F9-I162 HydrophobicContact CD1-CD1 4.42Å; F9-I162 HydrophobicContact CD1-CG1 3.93Å; F9-I162 HydrophobicContact CE1-CD1 4.36Å; F9-I162 HydrophobicContact CE1-CG1 3.57Å; F9-L188 HydrophobicContact CB-CD1 3.74Å; F9-L188 HydrophobicContact CB-CD2 4.11Å; F9-L188 HydrophobicContact CB-CG 4.47Å; F9-L188 HydrophobicContact CD1-CD1 3.86Å; F9-L188 HydrophobicContact CD2-CD1 3.6Å; F9-L188 HydrophobicContact CD2-CD2 3.87Å; F9-L188 HydrophobicContact CD2-CG 4.4Å; F9-L188 HydrophobicContact CE1-CD1 4.35Å; F9-L188 HydrophobicContact CE2-CD1 4.11Å; F9-L188 HydrophobicContact CG-CD1 3.46Å; F9-L188 VanDerWaalsContact CG-CD1 3.46Å; F9-L188 HydrophobicContact CG-CD2 4.24Å; F9-L188 HydrophobicContact CG-CG 4.49Å; F9-L188 HydrophobicContact CZ-CD1 4.46Å |
| 10 | L | 95.4 | Very high | 92.9 | Very high | 90 Ų | 90 | 45 Ų | 45 | 47% | 0.471 | 24% | 0.239 | S | C | . | . | trans | -85 | 145.8 | 167 | -62.9 | 177.6 | 0 | 0 | 0 | 108.5 | Y157 V194 | L10-Y157 HydrophobicContact CD2-CE2 4.25Å; L10-V194 HydrophobicContact CD2-CG1 3.77Å; L10-V194 HydrophobicContact CG-CG1 3.97Å; L10-V194 HydrophobicContact CG-CG2 4.24Å | ||
| 11 | F | 94.5 | Very high | 93 | Very high | 31 Ų | 31 | 48.7 Ų | 48.7 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | trans | -133.8 | 150.8 | 179.8 | 72.6 | -89.2 | 0 | 0 | 0 | 111.2 | F9 T15 L150 Q152 H158 V159 | F9-F11 HydrophobicContact CD2-CB 4.15Å; F9-F11 HydrophobicContact CE2-CB 3.87Å; F11-T15 HydrophobicContact CB-CG2 3.67Å; F11-L150 HydrophobicContact CB-CD2 4.24Å; F11-L150 HydrophobicContact CD1-CD2 3.79Å; F11-L150 HydrophobicContact CD2-CD1 4.2Å; F11-L150 HydrophobicContact CD2-CD2 4.17Å; F11-L150 HydrophobicContact CE1-CB 4.09Å; F11-L150 HydrophobicContact CE1-CD2 4.11Å; F11-L150 HydrophobicContact CE2-CB 4.2Å; F11-L150 HydrophobicContact CE2-CD1 4.24Å; F11-L150 HydrophobicContact CE2-CD2 4.48Å; F11-L150 HydrophobicContact CG-CD2 3.81Å; F11-L150 HydrophobicContact CZ-CB 3.87Å; F11-L150 HydrophobicContact CZ-CD2 4.45Å; F11-Q152 HydrophobicContact CZ-CG 4.25Å; F11-H158 HydrophobicContact CE1-CB 3.9Å; F11-H158 HydrophobicContact CZ-CB 3.96Å; F11-V159 VanDerWaalsContact CE1-C 3.45Å; F11-V159 WeakPolarHBondContact CE1-O 3.35Å | ||
| 12 | D | 92.9 | Very high | 94 | Very high | 87 Ų | 87 | 44.3 Ų | 44.3 | 47% | 0.465 | 24% | 0.237 | S | C | . | . | trans | -131.2 | -167.3 | 175 | 61.6 | 10.1 | 0 | 0 | 0 | 109.9 | D14 T15 L16 | D12-D14 VanDerWaalsContact C-N 3.25Å; D12-D14 PolarHBondContact O-N 3.28Å; D12-D14 PolarHBondContact OD1-N 2.98Å; D12-T15 PolarHBondContact N-OG1 2.81Å; D12-T15 PolarHBondContact O-N 3.02Å; D12-T15 WeakPolarHBondContact OD1-CB 3.01Å; D12-T15 PolarHBondContact OD1-N 3.22Å; D12-T15 PolarHBondContact OD1-OG1 3.3Å; D12-L16 PolarHBondContact O-N 3.33Å | ||
| 13 | S | 93 | Very high | 94.5 | Very high | 78 Ų | 78 | 42.2 Ų | 42.2 | 55% | 0.545 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.8 | -31.1 | 178.5 | 53.8 | 0 | 0 | 0 | 0 | 113.5 | K17 | S13-K17 WeakPolarHBondContact O-CG 3.42Å; S13-K17 PolarHBondContact O-N 2.83Å; S13-K17 VanDerWaalsContact O-N 3.16Å |
| 14 | D | 93.6 | Very high | 94.8 | Very high | 94 Ų | 94 | 46 Ų | 46 | 50% | 0.503 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -80.8 | -37.6 | -177.1 | -68.9 | -19.3 | 0 | 0 | 0 | 110.6 | D12 L16 K17 A18 | D12-D14 VanDerWaalsContact C-N 3.25Å; D12-D14 PolarHBondContact O-N 3.28Å; D12-D14 PolarHBondContact OD1-N 2.98Å; D14-L16 VanDerWaalsContact C-N 3.3Å; D14-L16 PolarHBondContact O-N 2.93Å; D14-K17 PolarHBondContact O-N 2.96Å; D14-K17 IonicContact OD1-NZ 2.85Å; D14-K17 PolarHBondContact OD1-NZ 3.32Å; D14-A18 PolarHBondContact O-N 3.11Å |
| 15 | T | 94.1 | Very high | 94.9 | Very high | 18 Ų | 18 | 48.8 Ų | 48.8 | 11% | 0.11 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 168.6 | -47.2 | 0 | 0 | 0 | 0 | 111.2 | F9 F11 D12 A18 I19 L188 | F9-T15 HydrophobicContact CD2-CG2 4.13Å; F9-T15 HydrophobicContact CE2-CG2 3.7Å; F11-T15 HydrophobicContact CB-CG2 3.67Å; D12-T15 PolarHBondContact N-OG1 2.81Å; D12-T15 PolarHBondContact O-N 3.02Å; D12-T15 WeakPolarHBondContact OD1-CB 3.01Å; D12-T15 PolarHBondContact OD1-N 3.22Å; D12-T15 PolarHBondContact OD1-OG1 3.3Å; T15-A18 PolarHBondContact O-N 3.47Å; T15-I19 HydrophobicContact CG2-CD1 4.18Å; T15-I19 VanDerWaalsContact O-CG1 3.31Å; T15-I19 WeakPolarHBondContact O-CG1 3.41Å; T15-I19 PolarHBondContact O-N 3.31Å; T15-L188 HydrophobicContact CG2-CD2 4.44Å |
| 16 | L | 95 | Very high | 95 | Very high | 46 Ų | 46 | 53.5 Ų | 53.5 | 24% | 0.241 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.5 | -45.7 | 177 | 175.6 | 61.5 | 0 | 0 | 0 | 111.9 | D12 D14 A18 I19 E20 F138 L150 | D12-L16 PolarHBondContact O-N 3.33Å; D14-L16 VanDerWaalsContact C-N 3.3Å; D14-L16 PolarHBondContact O-N 2.93Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 2.79Å; L16-I19 PolarHBondContact O-N 2.77Å; L16-E20 HydrophobicContact CD1-CG 4.27Å; L16-E20 WeakPolarHBondContact O-CG 3.42Å; L16-E20 PolarHBondContact O-N 3.38Å; L16-F138 HydrophobicContact CD1-CE2 4.38Å; L16-F138 HydrophobicContact CD1-CZ 3.93Å; L16-L150 HydrophobicContact CD1-CD1 3.57Å |
| 17 | K | 95 | Very high | 95 | Very high | 110 Ų | 110 | 54.7 Ų | 54.7 | 48% | 0.478 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.7 | -45.3 | 176.1 | -69.3 | 168 | -162.6 | 156.4 | 0 | 111.2 | S13 D14 I19 E20 D21 | S13-K17 WeakPolarHBondContact O-CG 3.42Å; S13-K17 PolarHBondContact O-N 2.83Å; S13-K17 VanDerWaalsContact O-N 3.16Å; D14-K17 PolarHBondContact O-N 2.96Å; D14-K17 IonicContact OD1-NZ 2.85Å; D14-K17 PolarHBondContact OD1-NZ 3.32Å; K17-I19 VanDerWaalsContact C-N 3.26Å; K17-I19 PolarHBondContact O-N 3.27Å; K17-E20 PolarHBondContact O-N 3.44Å; K17-E20 VanDerWaalsContact O-N 3.11Å; K17-D21 PolarHBondContact O-N 3.17Å |
| 18 | A | 95.5 | Very high | 95.2 | Very high | 27 Ų | 27 | 60.5 Ų | 60.5 | 22% | 0.223 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.9 | -38.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D14 T15 L16 I22 L186 | D14-A18 PolarHBondContact O-N 3.11Å; T15-A18 PolarHBondContact O-N 3.47Å; L16-A18 VanDerWaalsContact C-N 3.33Å; L16-A18 PolarHBondContact O-N 2.79Å; A18-I22 WeakPolarHBondContact O-CG1 3.43Å; A18-I22 PolarHBondContact O-N 2.95Å; A18-L186 HydrophobicContact CB-CD2 4.08Å |
| 19 | I | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.5 | -44.8 | 174.6 | -66.7 | 163.5 | 0 | 0 | 0 | 111.2 | F9 T15 L16 K17 D21 I22 G23 F138 I148 L150 L186 | F9-I19 HydrophobicContact CE2-CD1 4.31Å; F9-I19 HydrophobicContact CZ-CD1 4.18Å; T15-I19 HydrophobicContact CG2-CD1 4.18Å; T15-I19 VanDerWaalsContact O-CG1 3.31Å; T15-I19 WeakPolarHBondContact O-CG1 3.41Å; T15-I19 PolarHBondContact O-N 3.31Å; L16-I19 PolarHBondContact O-N 2.77Å; K17-I19 VanDerWaalsContact C-N 3.26Å; K17-I19 PolarHBondContact O-N 3.27Å; I19-D21 VanDerWaalsContact C-N 3.26Å; I19-D21 PolarHBondContact O-N 2.69Å; I19-I22 PolarHBondContact O-N 2.93Å; I19-G23 WeakPolarHBondContact O-CA 3.4Å; I19-G23 PolarHBondContact O-N 2.86Å; I19-F138 HydrophobicContact CG2-CB 3.91Å; I19-F138 HydrophobicContact CG2-CD1 3.71Å; I19-F138 HydrophobicContact CG2-CD2 3.7Å; I19-F138 HydrophobicContact CG2-CE1 4.08Å; I19-F138 HydrophobicContact CG2-CE2 4.08Å; I19-F138 HydrophobicContact CG2-CG 3.51Å; I19-F138 HydrophobicContact CG2-CZ 4.24Å; I19-I148 HydrophobicContact CD1-CG2 3.87Å; I19-I148 HydrophobicContact CG1-CD1 4.43Å; I19-I148 HydrophobicContact CG1-CG2 4.41Å; I19-I148 HydrophobicContact CG2-CD1 4.35Å; I19-I148 HydrophobicContact CG2-CG2 4.48Å; I19-L150 HydrophobicContact CD1-CD1 3.95Å; I19-L150 HydrophobicContact CD1-CD2 3.72Å; I19-L150 HydrophobicContact CD1-CG 4.17Å; I19-L186 HydrophobicContact CB-CD2 4.39Å; I19-L186 HydrophobicContact CG1-CD1 4.04Å; I19-L186 HydrophobicContact CG1-CD2 3.54Å; I19-L186 HydrophobicContact CG1-CG 4.45Å |
| 20 | E | 95.1 | Very high | 95.2 | Very high | 75 Ų | 75 | 69.3 Ų | 69.3 | 35% | 0.35 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.9 | -31.3 | 179.1 | -72.3 | 178 | 156.9 | 0 | 0 | 112.5 | L16 K17 R136 F138 K141 | L16-E20 HydrophobicContact CD1-CG 4.27Å; L16-E20 WeakPolarHBondContact O-CG 3.42Å; L16-E20 PolarHBondContact O-N 3.38Å; K17-E20 PolarHBondContact O-N 3.44Å; K17-E20 VanDerWaalsContact O-N 3.11Å; E20-R136 IonicContact OE1-CZ 3.19Å; E20-R136 IonicContact OE1-NH1 2.77Å; E20-R136 PolarHBondContact OE1-NH1 2.86Å; E20-R136 IonicContact OE1-NH2 2.79Å; E20-R136 PolarHBondContact OE1-NH2 2.88Å; E20-F138 HydrophobicContact CG-CE1 3.91Å; E20-F138 HydrophobicContact CG-CZ 4.31Å; E20-K141 PolarHBondContact O-NZ 2.91Å; E20-K141 VanDerWaalsContact O-NZ 3.17Å |
| 21 | D | 95.3 | Very high | 95.3 | Very high | 123 Ų | 123 | 65.3 Ų | 65.3 | 66% | 0.658 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -66.9 | -46.3 | 174.5 | -70.9 | -24.6 | 0 | 0 | 0 | 111.2 | K17 I19 K141 | K17-D21 PolarHBondContact O-N 3.17Å; I19-D21 VanDerWaalsContact C-N 3.26Å; I19-D21 PolarHBondContact O-N 2.69Å; D21-K141 PolarHBondContact O-NZ 2.8Å |
| 22 | I | 94.1 | Very high | 95.4 | Very high | 30 Ų | 30 | 66.9 Ų | 66.9 | 15% | 0.154 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -94.7 | -10 | -172.5 | 73.9 | 170.2 | 0 | 0 | 0 | 115.1 | A18 I19 L140 K141 R185 L186 | A18-I22 WeakPolarHBondContact O-CG1 3.43Å; A18-I22 PolarHBondContact O-N 2.95Å; I19-I22 PolarHBondContact O-N 2.93Å; I22-L140 HydrophobicContact CD1-CD2 3.69Å; I22-L140 HydrophobicContact CG1-CD2 3.81Å; I22-K141 WeakPolarHBondContact O-CB 3.24Å; I22-K141 PolarHBondContact O-N 3.03Å; I22-R185 HydrophobicContact CD1-CB 4.18Å; I22-L186 HydrophobicContact CD1-CD2 3.48Å; I22-L186 VanDerWaalsContact CD1-CD2 3.48Å; I22-L186 HydrophobicContact CD1-CG 3.98Å; I22-L186 HydrophobicContact CG1-CD2 4.14Å |
| 23 | G | 95.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 62.8 Ų | 62.8 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 166.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I19 T139 K141 | I19-G23 WeakPolarHBondContact O-CA 3.4Å; I19-G23 PolarHBondContact O-N 2.86Å; G23-T139 CarbonylContact C-O 3.59Å; G23-T139 WeakPolarHBondContact CA-O 3.49Å; G23-K141 WeakPolarHBondContact O-CE 3.49Å; G23-K141 PolarHBondContact O-NZ 2.68Å |
| 24 | D | 95.8 | Very high | 95.9 | Very high | 85 Ų | 85 | 62.9 Ų | 62.9 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132.8 | 175.8 | -66.1 | -49.9 | 0 | 0 | 0 | 109.6 | V26 F138 T139 K141 | D24-V26 PolarHBondContact O-N 3.38Å; D24-F138 VanDerWaalsContact O-CA 3.22Å; D24-F138 WeakPolarHBondContact O-CA 3.49Å; D24-T139 PolarHBondContact N-O 3.4Å; D24-T139 PolarHBondContact O-N 3.33Å; D24-K141 WeakPolarHBondContact OD1-CE 3.42Å; D24-K141 WeakPolarHBondContact OD2-CG 3.09Å |
| 25 | C | 96.3 | Very high | 96.2 | Very high | 64 Ų | 64 | 59.1 Ų | 59.1 | 43% | 0.432 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 114.4 | 178 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | F138 | C25-F138 HydrophobicContact CB-CD1 3.95Å; C25-F138 HydrophobicContact CB-CE1 3.73Å |
| 26 | V | 95.3 | Very high | 96.4 | Very high | 99 Ų | 99 | 59 Ų | 59 | 60% | 0.6 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | -34.1 | 174.8 | -177.3 | 0 | 0 | 0 | 0 | 110.5 | D24 S137 T139 | D24-V26 PolarHBondContact O-N 3.38Å; V26-S137 PolarHBondContact N-O 3.38Å; V26-T139 HydrophobicContact CG2-CG2 3.75Å |
| 27 | G | 95.8 | Very high | 96.5 | Very high | 30 Ų | 30 | 57 Ų | 57 | 31% | 0.309 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.8 | -175.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R136 S137 | G27-R136 WeakPolarHBondContact O-CA 3.46Å; G27-S137 PolarHBondContact N-O 3.16Å; G27-S137 PolarHBondContact O-N 3.41Å |
| 28 | Q | 97.3 | Very high | 96.6 | Very high | 144 Ų | 144 | 52.1 Ų | 52.1 | 67% | 0.673 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 137.2 | 176.2 | -175.8 | 177.6 | -56.3 | 0 | 0 | 109.8 | T134 R135 | Q28-T134 HydrophobicContact CG-CG2 4Å; Q28-R135 CarbonylContact C-O 3.57Å; Q28-R135 VanDerWaalsContact CA-O 3.3Å; Q28-R135 WeakPolarHBondContact CA-O 3.11Å |
| 29 | K | 96.6 | Very high | 96.6 | Very high | 98 Ų | 98 | 55.5 Ų | 55.5 | 43% | 0.426 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 150.3 | 175.5 | 61.8 | -179.5 | 179.2 | -177.3 | 0 | 111.1 | F31 R135 | K29-F31 HydrophobicContact CD-CD1 4.13Å; K29-F31 HydrophobicContact CD-CE1 4.22Å; K29-F31 HydrophobicContact CG-CD1 4Å; K29-F31 HydrophobicContact CG-CE1 4.07Å; K29-R135 HydrophobicContact CG-CB 4.15Å; K29-R135 PolarHBondContact N-O 3.27Å; K29-R135 PolarHBondContact O-N 3.49Å |
| 30 | Q | 97.6 | Very high | 96.5 | Very high | 123 Ų | 123 | 59.7 Ų | 59.7 | 58% | 0.575 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 137.6 | 168.2 | -169.7 | 175.6 | 78.7 | 0 | 0 | 109.5 | K54 T132 T133 T134 | Q30-K54 WeakPolarHBondContact O-CE 3.42Å; Q30-K54 PolarHBondContact O-NZ 3.12Å; Q30-T132 HydrophobicContact CG-CG2 3.53Å; Q30-T133 WeakPolarHBondContact CA-O 3.39Å; Q30-T134 PolarHBondContact NE2-OG1 2.86Å |
| 31 | F | 97.2 | Very high | 96.5 | Very high | 6 Ų | 6 | 57.7 Ų | 57.7 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 150.3 | 176.7 | 52.1 | -94.3 | 0 | 0 | 0 | 110.8 | K29 D33 R53 T132 T133 R135 | K29-F31 HydrophobicContact CD-CD1 4.13Å; K29-F31 HydrophobicContact CD-CE1 4.22Å; K29-F31 HydrophobicContact CG-CD1 4Å; K29-F31 HydrophobicContact CG-CE1 4.07Å; F31-D33 VanDerWaalsContact CE2-OD2 3.29Å; F31-D33 WeakPolarHBondContact CE2-OD2 3.35Å; F31-R53 HydrophobicContact CB-CG 4.02Å; F31-R53 HydrophobicContact CD2-CG 4.19Å; F31-R53 VanDerWaalsContact CE2-CZ 3.46Å; F31-R53 HydrophobicContact CG-CG 4.28Å; F31-T132 CarbonylContact O-C 2.9Å; F31-T132 WeakPolarHBondContact O-CA 3.29Å; F31-T132 WeakPolarHBondContact O-CG2 3.17Å; F31-T133 HydrophobicContact CE1-CG2 4.46Å; F31-T133 HydrophobicContact CE2-CG2 4.13Å; F31-T133 HydrophobicContact CZ-CG2 3.79Å; F31-T133 PolarHBondContact N-O 3.18Å; F31-T133 PolarHBondContact O-N 2.88Å; F31-R135 HydrophobicContact CE1-CB 3.69Å; F31-R135 HydrophobicContact CZ-CB 4.2Å |
| 32 | H | 97.5 | Very high | 96.5 | Very high | 65 Ų | 65 | 55 Ų | 55 | 30% | 0.301 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 124.4 | 176.5 | -179.2 | 80.5 | 0 | 0 | 0 | 108.4 | K34 K54 E130 T132 | H32-K34 WeakPolarHBondContact NE2-CE 3.43Å; H32-K54 PolarHBondContact O-N 3.12Å; H32-E130 IonicContact CE1-OE2 2.71Å; H32-E130 IonicContact NE2-OE2 3.61Å; H32-E130 PolarHBondContact NE2-OE2 3.32Å; H32-T132 PolarHBondContact ND1-OG1 3.23Å |
| 33 | D | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 131.2 | 179.5 | -71.3 | -35 | 0 | 0 | 0 | 109.5 | F31 Y35 R53 E130 F131 | F31-D33 VanDerWaalsContact CE2-OD2 3.29Å; F31-D33 WeakPolarHBondContact CE2-OD2 3.35Å; D33-Y35 HydrophobicContact CB-CD2 4.25Å; D33-Y35 HydrophobicContact CB-CE2 3.6Å; D33-R53 VanDerWaalsContact OD1-CB 3.27Å; D33-R53 WeakPolarHBondContact OD1-CB 3.24Å; D33-R53 VanDerWaalsContact OD1-CG 3.32Å; D33-R53 WeakPolarHBondContact OD1-CG 3.3Å; D33-R53 IonicContact OD1-CZ 3.47Å; D33-R53 IonicContact OD1-NE 3.41Å; D33-R53 PolarHBondContact OD1-NE 3.25Å; D33-R53 IonicContact OD1-NH2 2.65Å; D33-R53 PolarHBondContact OD1-NH2 3.37Å; D33-R53 IonicContact OD2-CZ 3.65Å; D33-R53 IonicContact OD2-NE 2.61Å; D33-R53 IonicContact OD2-NH2 3.08Å; D33-R53 PolarHBondContact OD2-NH2 2.94Å; D33-E130 WeakPolarHBondContact O-CA 3.44Å; D33-F131 PolarHBondContact N-O 3.26Å; D33-F131 PolarHBondContact O-N 3.17Å; D33-F131 VanDerWaalsContact O-N 3.08Å |
| 34 | K | 98.1 | Very high | 96.7 | Very high | 80 Ų | 80 | 53.4 Ų | 53.4 | 35% | 0.348 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 128 | 168 | -62.7 | -169.5 | 178.7 | -157.1 | 0 | 109.3 | H32 F36 R51 R52 E130 | H32-K34 WeakPolarHBondContact NE2-CE 3.43Å; K34-F36 HydrophobicContact CB-CE2 3.6Å; K34-F36 HydrophobicContact CB-CZ 3.87Å; K34-F36 WeakPolarHBondContact O-CD2 3.41Å; K34-F36 VanDerWaalsContact O-CE2 3.29Å; K34-F36 WeakPolarHBondContact O-CE2 3.36Å; K34-R51 CarbonylContact O-C 3.57Å; K34-R51 WeakPolarHBondContact O-CA 3.26Å; K34-R52 PolarHBondContact N-O 2.85Å; K34-R52 PolarHBondContact O-N 3.01Å; K34-E130 WeakPolarHBondContact CE-OE2 3.44Å; K34-E130 HydrophobicContact CG-CB 4Å; K34-E130 IonicContact NZ-OE2 2.81Å; K34-E130 PolarHBondContact NZ-OE2 2.89Å |
| 35 | Y | 98.5 | Very high | 96.7 | Very high | 15 Ų | 15 | 52.6 Ų | 52.6 | 6% | 0.059 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 137.6 | -177.5 | -70.3 | -100.5 | 0 | 0 | 0 | 111 | D33 L50 R51 C127 F128 A129 F131 M198 | D33-Y35 HydrophobicContact CB-CD2 4.25Å; D33-Y35 HydrophobicContact CB-CE2 3.6Å; Y35-L50 WeakPolarHBondContact CA-O 3.49Å; Y35-R51 HydrophobicContact CD1-CB 3.79Å; Y35-R51 HydrophobicContact CD2-CB 4.47Å; Y35-R51 HydrophobicContact CE1-CB 3.82Å; Y35-R51 HydrophobicContact CE1-CG 4.44Å; Y35-R51 HydrophobicContact CE2-CB 4.48Å; Y35-R51 HydrophobicContact CG-CB 4.15Å; Y35-C127 CarbonylContact O-C 3.19Å; Y35-C127 VanDerWaalsContact O-CA 3.29Å; Y35-C127 WeakPolarHBondContact O-CA 3.44Å; Y35-F128 WeakPolarHBondContact O-CD1 3.36Å; Y35-F128 PolarHBondContact O-N 3.49Å; Y35-A129 PolarHBondContact N-O 2.81Å; Y35-F131 HydrophobicContact CD2-CE1 4.15Å; Y35-F131 HydrophobicContact CD2-CZ 4.41Å; Y35-F131 AromaticContact CE2-CE1 3.65Å; Y35-F131 HydrophobicContact CE2-CE1 3.65Å; Y35-F131 HydrophobicContact CE2-CE2 4.29Å; Y35-F131 AromaticContact CE2-CZ 3.48Å; Y35-F131 HydrophobicContact CE2-CZ 3.48Å; Y35-F131 VanDerWaalsContact CE2-CZ 3.48Å; Y35-M198 HydrophobicContact CD1-CE 3.42Å; Y35-M198 VanDerWaalsContact CD1-CE 3.42Å; Y35-M198 HydrophobicContact CD2-CE 3.21Å; Y35-M198 HydrophobicContact CE1-CE 3.62Å; Y35-M198 HydrophobicContact CE2-CE 3.44Å; Y35-M198 VanDerWaalsContact CE2-CE 3.44Å; Y35-M198 HydrophobicContact CG-CE 3.19Å |
| 36 | F | 98.3 | Very high | 96.6 | Very high | 16 Ų | 16 | 54.7 Ų | 54.7 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 140 | -171.1 | -61 | -96.1 | 0 | 0 | 0 | 111 | K34 L50 R52 W57 L120 L125 C126 C127 | K34-F36 HydrophobicContact CB-CE2 3.6Å; K34-F36 HydrophobicContact CB-CZ 3.87Å; K34-F36 WeakPolarHBondContact O-CD2 3.41Å; K34-F36 VanDerWaalsContact O-CE2 3.29Å; K34-F36 WeakPolarHBondContact O-CE2 3.36Å; F36-L50 HydrophobicContact CB-CD2 3.94Å; F36-L50 HydrophobicContact CB-CG 4.3Å; F36-L50 PolarHBondContact N-O 3.21Å; F36-R52 HydrophobicContact CE2-CB 3.83Å; F36-W57 AromaticContact CD2-CH2 3.81Å; F36-W57 HydrophobicContact CD2-CH2 3.81Å; F36-W57 AromaticContact CD2-CZ3 3.6Å; F36-W57 HydrophobicContact CD2-CZ3 3.6Å; F36-W57 AromaticContact CE2-CH2 3.6Å; F36-W57 HydrophobicContact CE2-CH2 3.6Å; F36-W57 AromaticContact CE2-CZ3 3.73Å; F36-W57 HydrophobicContact CE2-CZ3 3.73Å; F36-W57 HydrophobicContact CG-CH2 4.36Å; F36-W57 HydrophobicContact CG-CZ3 4.32Å; F36-W57 AromaticContact CZ-CH2 3.98Å; F36-W57 HydrophobicContact CZ-CH2 3.98Å; F36-L120 HydrophobicContact CD1-CD1 3.92Å; F36-L120 HydrophobicContact CD1-CD2 4.28Å; F36-L120 HydrophobicContact CE1-CD1 3.65Å; F36-L120 HydrophobicContact CG-CD2 4.43Å; F36-L120 HydrophobicContact CZ-CD1 4.21Å; F36-L125 HydrophobicContact CB-CB 4.42Å; F36-C126 WeakPolarHBondContact CA-O 3.49Å; F36-C127 HydrophobicContact CD1-CB 4.1Å; F36-C127 HydrophobicContact CE1-CB 3.79Å; F36-C127 HydrophobicContact CZ-CB 4.34Å |
| 37 | D | 98.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 170.9 | 173.8 | -155.7 | -16 | 0 | 0 | 0 | 109.3 | F41 K42 L43 T44 L125 C126 F128 | D37-F41 WeakPolarHBondContact OD2-CA 3.48Å; D37-K42 PolarHBondContact OD1-N 2.9Å; D37-L43 VanDerWaalsContact OD1-CB 3.3Å; D37-L43 WeakPolarHBondContact OD1-CB 3.45Å; D37-L43 WeakPolarHBondContact OD1-CG 3.38Å; D37-L43 PolarHBondContact OD1-N 3.26Å; D37-T44 VanDerWaalsContact OD2-CB 3.26Å; D37-T44 WeakPolarHBondContact OD2-CB 3.38Å; D37-T44 WeakPolarHBondContact OD2-CG2 3.38Å; D37-T44 PolarHBondContact OD2-N 2.91Å; D37-T44 PolarHBondContact OD2-OG1 3.26Å; D37-L125 CarbonylContact O-C 3.53Å; D37-L125 WeakPolarHBondContact O-CA 3.34Å; D37-C126 PolarHBondContact N-O 2.87Å; D37-C126 PolarHBondContact O-N 3.02Å; D37-F128 HydrophobicContact CB-CD1 3.74Å; D37-F128 HydrophobicContact CB-CE1 3.86Å |
| 38 | T | 96.9 | Very high | 96.6 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.055 | 24% | 0.239 | C | C | . | . | trans | -75 | 158.7 | 169.4 | 64 | 0 | 0 | 0 | 0 | 110.5 | D40 F41 K42 I99 L125 | T38-D40 WeakPolarHBondContact CB-OD1 3.3Å; T38-D40 PolarHBondContact O-N 3.05Å; T38-D40 PolarHBondContact OG1-OD1 3.33Å; T38-F41 PolarHBondContact O-N 2.96Å; T38-K42 HydrophobicContact CG2-CB 4.37Å; T38-K42 HydrophobicContact CG2-CD 4.29Å; T38-K42 VanDerWaalsContact OG1-CB 3.31Å; T38-K42 WeakPolarHBondContact OG1-CB 3.04Å; T38-K42 WeakPolarHBondContact OG1-CG 3.22Å; T38-K42 PolarHBondContact OG1-N 3.32Å; T38-I99 HydrophobicContact CG2-CG2 4.07Å; T38-L125 HydrophobicContact CG2-CD2 3.93Å | ||
| 39 | P | 95.2 | Very high | 96.6 | Very high | 98 Ų | 98 | 44.4 Ų | 44.4 | 64% | 0.636 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -24 | 177.5 | -28 | 35.6 | 0 | 0 | 0 | 114.7 | K124 | P39-K124 WeakPolarHBondContact CD-O 3.2Š|
| 40 | D | 94.5 | Very high | 96.7 | Very high | 87 Ų | 87 | 39.8 Ų | 39.8 | 47% | 0.465 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 17.9 | 176.8 | 63.7 | -29.8 | 0 | 0 | 0 | 113.5 | T38 K42 | T38-D40 WeakPolarHBondContact CB-OD1 3.3Å; T38-D40 PolarHBondContact O-N 3.05Å; T38-D40 PolarHBondContact OG1-OD1 3.33Å; D40-K42 VanDerWaalsContact C-N 3.33Å; D40-K42 PolarHBondContact O-N 2.88Å; D40-K42 WeakPolarHBondContact OD1-CG 3.39Å; D40-K42 WeakPolarHBondContact OD2-CE 3.4Å; D40-K42 WeakPolarHBondContact OD2-CG 3.45Å |
| 41 | F | 95.5 | Very high | 96.7 | Very high | 34 Ų | 34 | 34.8 Ų | 34.8 | 15% | 0.149 | 17% | 0.167 | C | C | . | . | trans | 60 | 33.1 | 170.1 | -45.5 | -53.4 | 0 | 0 | 0 | 114.8 | D37 T38 L43 T44 L45 Q209 I212 | D37-F41 WeakPolarHBondContact OD2-CA 3.48Å; T38-F41 PolarHBondContact O-N 2.96Å; F41-L43 VanDerWaalsContact C-N 3.27Å; F41-L43 PolarHBondContact O-N 2.78Å; F41-T44 PolarHBondContact O-N 3.36Å; F41-L45 HydrophobicContact CB-CD1 4.06Å; F41-L45 HydrophobicContact CB-CG 4.04Å; F41-L45 WeakPolarHBondContact O-CB 3.22Å; F41-L45 VanDerWaalsContact O-CG 3.3Å; F41-L45 WeakPolarHBondContact O-CG 3.41Å; F41-L45 PolarHBondContact O-N 3.05Å; F41-Q209 HydrophobicContact CD1-CG 3.86Å; F41-Q209 HydrophobicContact CD2-CG 4.46Å; F41-Q209 HydrophobicContact CE1-CB 4.14Å; F41-Q209 VanDerWaalsContact CE1-CD 3.44Å; F41-Q209 HydrophobicContact CE1-CG 3.69Å; F41-Q209 HydrophobicContact CE2-CB 4.45Å; F41-Q209 HydrophobicContact CE2-CG 4.31Å; F41-Q209 HydrophobicContact CG-CG 4.25Å; F41-Q209 HydrophobicContact CZ-CB 3.97Å; F41-Q209 HydrophobicContact CZ-CG 3.93Å; F41-I212 HydrophobicContact CD2-CD1 4.17Å; F41-I212 HydrophobicContact CD2-CG2 4.37Å; F41-I212 HydrophobicContact CE2-CD1 3.69Å | ||
| 42 | K | 95.4 | Very high | 96.7 | Very high | 66 Ų | 66 | 36.9 Ų | 36.9 | 29% | 0.287 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -33 | -171.2 | -74.8 | -180 | 179.7 | -170.4 | 0 | 113.5 | D37 T38 D40 R46 I99 | D37-K42 PolarHBondContact OD1-N 2.9Å; T38-K42 HydrophobicContact CG2-CB 4.37Å; T38-K42 HydrophobicContact CG2-CD 4.29Å; T38-K42 VanDerWaalsContact OG1-CB 3.31Å; T38-K42 WeakPolarHBondContact OG1-CB 3.04Å; T38-K42 WeakPolarHBondContact OG1-CG 3.22Å; T38-K42 PolarHBondContact OG1-N 3.32Å; D40-K42 VanDerWaalsContact C-N 3.33Å; D40-K42 PolarHBondContact O-N 2.88Å; D40-K42 WeakPolarHBondContact OD1-CG 3.39Å; D40-K42 WeakPolarHBondContact OD2-CE 3.4Å; D40-K42 WeakPolarHBondContact OD2-CG 3.45Å; K42-R46 PolarHBondContact O-NH1 3.5Å; K42-I99 HydrophobicContact CB-CB 4.49Å; K42-I99 HydrophobicContact CB-CG2 4.05Å; K42-I99 HydrophobicContact CD-CB 3.98Å; K42-I99 HydrophobicContact CD-CG2 4.33Å; K42-I99 PolarHBondContact NZ-O 2.82Å; K42-I99 VanDerWaalsContact NZ-O 3.13Å |
| 43 | L | 97 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -55.5 | 177.7 | -58.9 | -177.3 | 0 | 0 | 0 | 110.5 | D37 F41 L45 R46 D47 V48 L50 V95 V98 I99 L125 | D37-L43 VanDerWaalsContact OD1-CB 3.3Å; D37-L43 WeakPolarHBondContact OD1-CB 3.45Å; D37-L43 WeakPolarHBondContact OD1-CG 3.38Å; D37-L43 PolarHBondContact OD1-N 3.26Å; F41-L43 VanDerWaalsContact C-N 3.27Å; F41-L43 PolarHBondContact O-N 2.78Å; L43-L45 VanDerWaalsContact C-N 3.32Å; L43-L45 PolarHBondContact O-N 2.82Å; L43-R46 CarbonylContact O-C 3.52Å; L43-R46 WeakPolarHBondContact O-CA 3.34Å; L43-R46 PolarHBondContact O-N 2.88Å; L43-D47 PolarHBondContact O-N 2.8Å; L43-V48 CarbonylContact C-O 3.42Å; L43-V48 HydrophobicContact CB-CB 4.28Å; L43-V48 HydrophobicContact CB-CG1 4.39Å; L43-V48 WeakPolarHBondContact CB-O 3.5Å; L43-V48 HydrophobicContact CD2-CG1 4.24Å; L43-V48 PolarHBondContact O-N 2.89Å; L43-L50 HydrophobicContact CD1-CB 3.91Å; L43-L50 HydrophobicContact CD1-CD2 4.29Å; L43-V95 HydrophobicContact CD1-CG1 4.38Å; L43-V95 HydrophobicContact CD2-CG1 4.24Å; L43-V98 HydrophobicContact CD2-CB 3.96Å; L43-V98 HydrophobicContact CD2-CG1 3.56Å; L43-I99 HydrophobicContact CD2-CG2 3.66Å; L43-I99 HydrophobicContact CG-CG2 4.23Å; L43-L125 HydrophobicContact CD1-CD2 3.88Å |
| 44 | T | 96.6 | Very high | 96 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -65.7 | -32.6 | -174.7 | 52.4 | 0 | 0 | 0 | 0 | 112.7 | D37 F41 R46 D47 V48 W49 F128 V218 | D37-T44 VanDerWaalsContact OD2-CB 3.26Å; D37-T44 WeakPolarHBondContact OD2-CB 3.38Å; D37-T44 WeakPolarHBondContact OD2-CG2 3.38Å; D37-T44 PolarHBondContact OD2-N 2.91Å; D37-T44 PolarHBondContact OD2-OG1 3.26Å; F41-T44 PolarHBondContact O-N 3.36Å; T44-R46 PolarHBondContact O-N 2.83Å; T44-R46 VanDerWaalsContact O-N 3.09Å; T44-D47 PolarHBondContact O-N 2.94Å; T44-V48 PolarHBondContact N-O 3.24Å; T44-W49 HydrophobicContact CG2-CD2 4.4Å; T44-W49 HydrophobicContact CG2-CE3 3.67Å; T44-W49 HydrophobicContact CG2-CH2 4.19Å; T44-W49 HydrophobicContact CG2-CZ3 3.54Å; T44-F128 HydrophobicContact CG2-CE1 4.2Å; T44-F128 HydrophobicContact CG2-CZ 3.94Å; T44-V218 WeakPolarHBondContact O-CG1 3.44Å |
| 45 | L | 95 | Very high | 95.5 | Very high | 67 Ų | 67 | 45.6 Ų | 45.6 | 35% | 0.351 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -62.4 | -14.3 | 171.2 | -78.7 | 169.3 | 0 | 0 | 0 | 114.1 | F41 L43 I212 L213 A216 | F41-L45 HydrophobicContact CB-CD1 4.06Å; F41-L45 HydrophobicContact CB-CG 4.04Å; F41-L45 WeakPolarHBondContact O-CB 3.22Å; F41-L45 VanDerWaalsContact O-CG 3.3Å; F41-L45 WeakPolarHBondContact O-CG 3.41Å; F41-L45 PolarHBondContact O-N 3.05Å; L43-L45 VanDerWaalsContact C-N 3.32Å; L43-L45 PolarHBondContact O-N 2.82Å; L45-I212 HydrophobicContact CD2-CG2 3.87Å; L45-L213 HydrophobicContact CD2-CD2 3.93Å; L45-L213 HydrophobicContact CG-CD2 4.07Å; L45-A216 HydrophobicContact CD2-CB 3.79Å |
| 46 | R | 94.4 | Very high | 95.2 | Very high | 108 Ų | 108 | 48.2 Ų | 48.2 | 41% | 0.408 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -110 | 16.2 | 176.7 | -67.8 | 173.2 | 176.5 | 77.9 | 6.6 | 112.2 | K42 L43 T44 V48 P62 V98 | K42-R46 PolarHBondContact O-NH1 3.5Å; L43-R46 CarbonylContact O-C 3.52Å; L43-R46 WeakPolarHBondContact O-CA 3.34Å; L43-R46 PolarHBondContact O-N 2.88Å; T44-R46 PolarHBondContact O-N 2.83Å; T44-R46 VanDerWaalsContact O-N 3.09Å; R46-V48 HydrophobicContact CB-CG2 4.27Å; R46-V48 PolarHBondContact O-N 2.81Å; R46-P62 WeakPolarHBondContact O-CG 3.44Å; R46-V98 HydrophobicContact CB-CG1 4.25Å; R46-V98 VanDerWaalsContact CD-CG1 3.49Å; R46-V98 HydrophobicContact CG-CG1 4.48Å |
| 47 | D | 94.9 | Very high | 95.1 | Very high | 32 Ų | 32 | 47.6 Ų | 47.6 | 17% | 0.171 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 27.3 | -175.6 | -165.7 | 25.7 | 0 | 0 | 0 | 112.8 | L43 T44 W49 P62 Y82 V218 | L43-D47 PolarHBondContact O-N 2.8Å; T44-D47 PolarHBondContact O-N 2.94Å; D47-W49 PolarHBondContact O-NE1 3.21Å; D47-W49 PolarHBondContact OD1-NE1 2.79Å; D47-P62 HydrophobicContact CB-CB 4.16Å; D47-P62 HydrophobicContact CB-CG 4.11Å; D47-P62 WeakPolarHBondContact O-CD 3.45Å; D47-Y82 PolarHBondContact OD1-OH 2.91Å; D47-Y82 WeakPolarHBondContact OD2-CE1 3.37Å; D47-Y82 PolarHBondContact OD2-OH 2.82Å; D47-V218 HydrophobicContact CB-CG1 3.98Å |
| 48 | V | 96.5 | Very high | 95 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | trans | -100.8 | 124.7 | 175.8 | 177.4 | 0 | 0 | 0 | 0 | 108.9 | L43 T44 R46 L59 K60 V98 | L43-V48 CarbonylContact C-O 3.42Å; L43-V48 HydrophobicContact CB-CB 4.28Å; L43-V48 HydrophobicContact CB-CG1 4.39Å; L43-V48 WeakPolarHBondContact CB-O 3.5Å; L43-V48 HydrophobicContact CD2-CG1 4.24Å; L43-V48 PolarHBondContact O-N 2.89Å; T44-V48 PolarHBondContact N-O 3.24Å; R46-V48 HydrophobicContact CB-CG2 4.27Å; R46-V48 PolarHBondContact O-N 2.81Å; V48-L59 HydrophobicContact CG1-CD1 3.51Å; V48-L59 HydrophobicContact CG1-CD2 4.44Å; V48-L59 HydrophobicContact CG1-CG 4.1Å; V48-K60 CarbonylContact C-O 3.49Å; V48-K60 WeakPolarHBondContact CA-O 3.38Å; V48-V98 HydrophobicContact CB-CG1 4.45Å; V48-V98 HydrophobicContact CG2-CG1 4.21Å; V48-V98 HydrophobicContact CG2-CG2 4.19Å | ||
| 49 | W | 97.6 | Very high | 95.1 | Very high | 23 Ų | 23 | 48.5 Ų | 48.5 | 9% | 0.087 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 104.4 | -173.1 | -49.7 | 84.4 | 0 | 0 | 0 | 110.5 | T44 D47 L59 K60 M198 L213 V218 L219 | T44-W49 HydrophobicContact CG2-CD2 4.4Å; T44-W49 HydrophobicContact CG2-CE3 3.67Å; T44-W49 HydrophobicContact CG2-CH2 4.19Å; T44-W49 HydrophobicContact CG2-CZ3 3.54Å; D47-W49 PolarHBondContact O-NE1 3.21Å; D47-W49 PolarHBondContact OD1-NE1 2.79Å; W49-L59 WeakPolarHBondContact O-CA 3.38Å; W49-K60 HydrophobicContact CB-CB 4.21Å; W49-K60 PolarHBondContact N-O 3.23Å; W49-K60 PolarHBondContact O-N 2.88Å; W49-M198 HydrophobicContact CE3-CG 4.01Å; W49-M198 HydrophobicContact CH2-CG 4.27Å; W49-M198 HydrophobicContact CZ3-CG 3.52Å; W49-L213 HydrophobicContact CH2-CD1 4.08Å; W49-V218 HydrophobicContact CZ2-CG1 3.94Å; W49-L219 HydrophobicContact CH2-CD2 3.95Å; W49-L219 HydrophobicContact CZ2-CD2 4.22Å |
| 50 | L | 98.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 125.9 | 174.4 | 176.9 | 64.9 | 0 | 0 | 0 | 109.8 | Y35 F36 L43 W57 L59 I91 V95 W119 L125 | Y35-L50 WeakPolarHBondContact CA-O 3.49Å; F36-L50 HydrophobicContact CB-CD2 3.94Å; F36-L50 HydrophobicContact CB-CG 4.3Å; F36-L50 PolarHBondContact N-O 3.21Å; L43-L50 HydrophobicContact CD1-CB 3.91Å; L43-L50 HydrophobicContact CD1-CD2 4.29Å; L50-W57 HydrophobicContact CD1-CE3 3.7Å; L50-W57 HydrophobicContact CD1-CZ3 4.02Å; L50-W57 HydrophobicContact CD2-CZ3 4.21Å; L50-W57 HydrophobicContact CG-CE3 4.19Å; L50-W57 HydrophobicContact CG-CZ3 3.99Å; L50-L59 HydrophobicContact CB-CD1 3.76Å; L50-L59 HydrophobicContact CD1-CD1 4.07Å; L50-I91 HydrophobicContact CD1-CG2 3.68Å; L50-V95 HydrophobicContact CD2-CG2 4.32Å; L50-W119 HydrophobicContact CD1-CH2 4.22Å; L50-W119 HydrophobicContact CD2-CH2 3.68Å; L50-W119 HydrophobicContact CD2-CZ3 4.24Å; L50-L125 HydrophobicContact CD2-CD1 3.76Å |
| 51 | R | 97.8 | Very high | 95 | Very high | 18 Ų | 18 | 41 Ų | 41 | 7% | 0.068 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 151 | 172.3 | 69.3 | 178.8 | 176.7 | -119.8 | -1.8 | 112.6 | K34 Y35 E58 E84 | K34-R51 CarbonylContact O-C 3.57Å; K34-R51 WeakPolarHBondContact O-CA 3.26Å; Y35-R51 HydrophobicContact CD1-CB 3.79Å; Y35-R51 HydrophobicContact CD2-CB 4.47Å; Y35-R51 HydrophobicContact CE1-CB 3.82Å; Y35-R51 HydrophobicContact CE1-CG 4.44Å; Y35-R51 HydrophobicContact CE2-CB 4.48Å; Y35-R51 HydrophobicContact CG-CB 4.15Å; R51-E58 HydrophobicContact CG-CB 3.96Å; R51-E58 IonicContact CZ-OE2 3.56Å; R51-E58 PolarHBondContact N-O 3.11Å; R51-E58 IonicContact NE-OE2 3.51Å; R51-E58 PolarHBondContact NE-OE2 2.66Å; R51-E58 IonicContact NH2-OE2 3.2Å; R51-E58 PolarHBondContact NH2-OE2 2.94Å; R51-E58 PolarHBondContact O-N 3.16Å; R51-E84 IonicContact NH2-OE1 2.82Å; R51-E84 PolarHBondContact NH2-OE1 3.47Å |
| 52 | R | 96.1 | Very high | 94.8 | Very high | 50 Ų | 50 | 41.1 Ų | 41.1 | 19% | 0.189 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 117.5 | 162.3 | -162.1 | 176.8 | -168.6 | -172.7 | 2.3 | 108.6 | K34 F36 S56 W57 D114 D117 | K34-R52 PolarHBondContact N-O 2.85Å; K34-R52 PolarHBondContact O-N 3.01Å; F36-R52 HydrophobicContact CE2-CB 3.83Å; R52-S56 WeakPolarHBondContact CA-O 3.32Å; R52-W57 HydrophobicContact CB-CD2 4.19Å; R52-W57 HydrophobicContact CB-CE3 3.91Å; R52-W57 HydrophobicContact CB-CH2 3.88Å; R52-W57 HydrophobicContact CB-CZ2 4.16Å; R52-W57 HydrophobicContact CB-CZ3 3.76Å; R52-W57 HydrophobicContact CG-CD2 4.11Å; R52-W57 HydrophobicContact CG-CE3 4.35Å; R52-W57 HydrophobicContact CG-CH2 4.33Å; R52-W57 HydrophobicContact CG-CZ2 4.1Å; R52-W57 HydrophobicContact CG-CZ3 4.47Å; R52-D114 PolarHBondContact NH2-O 3.29Å; R52-D117 IonicContact CZ-OD1 3.61Å; R52-D117 VanDerWaalsContact CZ-OD1 3.26Å; R52-D117 IonicContact CZ-OD2 2.61Å; R52-D117 IonicContact NE-OD1 3.26Å; R52-D117 IonicContact NH1-OD1 3.87Å; R52-D117 PolarHBondContact NH1-OD1 3.4Å; R52-D117 IonicContact NH1-OD2 3.26Å; R52-D117 PolarHBondContact NH1-OD2 3.35Å; R52-D117 IonicContact NH2-OD1 3Å |
| 53 | R | 94.7 | Very high | 94.3 | Very high | 32 Ų | 32 | 40 Ų | 40 | 12% | 0.121 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 109 | 175.6 | 179.2 | 170.3 | -74.6 | 161.7 | -4.6 | 108.5 | F31 D33 Q55 S56 E58 | F31-R53 HydrophobicContact CB-CG 4.02Å; F31-R53 HydrophobicContact CD2-CG 4.19Å; F31-R53 VanDerWaalsContact CE2-CZ 3.46Å; F31-R53 HydrophobicContact CG-CG 4.28Å; D33-R53 VanDerWaalsContact OD1-CB 3.27Å; D33-R53 WeakPolarHBondContact OD1-CB 3.24Å; D33-R53 VanDerWaalsContact OD1-CG 3.32Å; D33-R53 WeakPolarHBondContact OD1-CG 3.3Å; D33-R53 IonicContact OD1-CZ 3.47Å; D33-R53 IonicContact OD1-NE 3.41Å; D33-R53 PolarHBondContact OD1-NE 3.25Å; D33-R53 IonicContact OD1-NH2 2.65Å; D33-R53 PolarHBondContact OD1-NH2 3.37Å; D33-R53 IonicContact OD2-CZ 3.65Å; D33-R53 IonicContact OD2-NE 2.61Å; D33-R53 IonicContact OD2-NH2 3.08Å; D33-R53 PolarHBondContact OD2-NH2 2.94Å; R53-Q55 PolarHBondContact O-N 3.44Å; R53-S56 PolarHBondContact N-O 2.83Å; R53-S56 PolarHBondContact O-N 2.86Å; R53-E58 IonicContact CZ-OE2 2.67Å; R53-E58 IonicContact NH1-OE1 3.59Å; R53-E58 IonicContact NH1-OE2 3.58Å; R53-E58 PolarHBondContact NH1-OE2 2.87Å |
| 54 | K | 86.7 | Confident | 92.8 | Very high | 144 Ų | 144 | 45.9 Ų | 45.9 | 63% | 0.626 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | -108.7 | -168.7 | -56.8 | -179.7 | 176.9 | -178.9 | 0 | 110.5 | Q30 H32 | Q30-K54 WeakPolarHBondContact O-CE 3.42Å; Q30-K54 PolarHBondContact O-NZ 3.12Å; H32-K54 PolarHBondContact O-N 3.12Å |
| 55 | Q | 86.4 | Confident | 90.7 | Very high | 153 Ų | 153 | 48.1 Ų | 48.1 | 72% | 0.715 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -3 | 179.6 | -70.2 | 179.4 | -18.9 | 0 | 0 | 113.3 | R53 | R53-Q55 PolarHBondContact O-N 3.44Š|
| 56 | S | 93.3 | Very high | 88.2 | Confident | 70 Ų | 70 | 50.3 Ų | 50.3 | 49% | 0.49 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 139.5 | -175.2 | -56.7 | 0 | 0 | 0 | 0 | 111.7 | R52 R53 | R52-S56 WeakPolarHBondContact CA-O 3.32Å; R53-S56 PolarHBondContact N-O 2.83Å; R53-S56 PolarHBondContact O-N 2.86Å |
| 57 | W | 96.3 | Very high | 85.4 | Confident | 3 Ų | 3 | 52 Ų | 52 | 1% | 0.011 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 137.3 | 174.7 | -71.7 | 100.2 | 0 | 0 | 0 | 111.1 | F36 L50 R52 L88 I91 W119 L120 | F36-W57 AromaticContact CD2-CH2 3.81Å; F36-W57 HydrophobicContact CD2-CH2 3.81Å; F36-W57 AromaticContact CD2-CZ3 3.6Å; F36-W57 HydrophobicContact CD2-CZ3 3.6Å; F36-W57 AromaticContact CE2-CH2 3.6Å; F36-W57 HydrophobicContact CE2-CH2 3.6Å; F36-W57 AromaticContact CE2-CZ3 3.73Å; F36-W57 HydrophobicContact CE2-CZ3 3.73Å; F36-W57 HydrophobicContact CG-CH2 4.36Å; F36-W57 HydrophobicContact CG-CZ3 4.32Å; F36-W57 AromaticContact CZ-CH2 3.98Å; F36-W57 HydrophobicContact CZ-CH2 3.98Å; L50-W57 HydrophobicContact CD1-CE3 3.7Å; L50-W57 HydrophobicContact CD1-CZ3 4.02Å; L50-W57 HydrophobicContact CD2-CZ3 4.21Å; L50-W57 HydrophobicContact CG-CE3 4.19Å; L50-W57 HydrophobicContact CG-CZ3 3.99Å; R52-W57 HydrophobicContact CB-CD2 4.19Å; R52-W57 HydrophobicContact CB-CE3 3.91Å; R52-W57 HydrophobicContact CB-CH2 3.88Å; R52-W57 HydrophobicContact CB-CZ2 4.16Å; R52-W57 HydrophobicContact CB-CZ3 3.76Å; R52-W57 HydrophobicContact CG-CD2 4.11Å; R52-W57 HydrophobicContact CG-CE3 4.35Å; R52-W57 HydrophobicContact CG-CH2 4.33Å; R52-W57 HydrophobicContact CG-CZ2 4.1Å; R52-W57 HydrophobicContact CG-CZ3 4.47Å; W57-L88 HydrophobicContact CB-CD1 4Å; W57-L88 HydrophobicContact CG-CD1 3.78Å; W57-I91 HydrophobicContact CB-CD1 3.66Å; W57-I91 WeakPolarHBondContact O-CD1 3.2Å; W57-W119 AromaticContact CD2-CZ2 3.82Å; W57-W119 HydrophobicContact CD2-CZ2 3.82Å; W57-W119 AromaticContact CE2-CZ2 3.71Å; W57-W119 HydrophobicContact CE3-CH2 4.41Å; W57-W119 AromaticContact CE3-CZ2 3.95Å; W57-W119 HydrophobicContact CE3-CZ2 3.95Å; W57-W119 HydrophobicContact CG-CZ2 4.5Å; W57-W119 AromaticContact CH2-CZ2 3.91Å; W57-W119 HydrophobicContact CH2-CZ2 3.91Å; W57-W119 AromaticContact CZ2-CZ2 3.76Å; W57-W119 HydrophobicContact CZ2-CZ2 3.76Å; W57-W119 HydrophobicContact CZ3-CH2 4.36Å; W57-W119 AromaticContact CZ3-CZ2 3.98Å; W57-W119 HydrophobicContact CZ3-CZ2 3.98Å; W57-L120 HydrophobicContact CH2-CD1 3.77Å; W57-L120 HydrophobicContact CH2-CD2 3.64Å; W57-L120 HydrophobicContact CH2-CG 4.12Å; W57-L120 HydrophobicContact CZ2-CD1 4.09Å; W57-L120 HydrophobicContact CZ2-CD2 4.25Å; W57-L120 HydrophobicContact CZ2-CG 4.37Å; W57-L120 HydrophobicContact CZ3-CD2 4.24Å |
| 58 | E | 96.9 | Very high | 82.6 | Confident | 30 Ų | 30 | 53.6 Ų | 53.6 | 14% | 0.14 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 133.4 | 178 | -60.2 | 174.7 | -174.7 | 0 | 0 | 108.8 | R51 R53 I85 T86 | R51-E58 HydrophobicContact CG-CB 3.96Å; R51-E58 IonicContact CZ-OE2 3.56Å; R51-E58 PolarHBondContact N-O 3.11Å; R51-E58 IonicContact NE-OE2 3.51Å; R51-E58 PolarHBondContact NE-OE2 2.66Å; R51-E58 IonicContact NH2-OE2 3.2Å; R51-E58 PolarHBondContact NH2-OE2 2.94Å; R51-E58 PolarHBondContact O-N 3.16Å; R53-E58 IonicContact CZ-OE2 2.67Å; R53-E58 IonicContact NH1-OE1 3.59Å; R53-E58 IonicContact NH1-OE2 3.58Å; R53-E58 PolarHBondContact NH1-OE2 2.87Å; E58-I85 WeakPolarHBondContact CA-O 3.16Å; E58-T86 HydrophobicContact CG-CG2 4.26Å |
| 59 | L | 97.2 | Very high | 79.7 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 113.9 | 177.3 | -173.8 | 72.1 | 0 | 0 | 0 | 109.5 | V48 W49 L50 I85 I91 R94 V95 | V48-L59 HydrophobicContact CG1-CD1 3.51Å; V48-L59 HydrophobicContact CG1-CD2 4.44Å; V48-L59 HydrophobicContact CG1-CG 4.1Å; W49-L59 WeakPolarHBondContact O-CA 3.38Å; L50-L59 HydrophobicContact CB-CD1 3.76Å; L50-L59 HydrophobicContact CD1-CD1 4.07Å; L59-I85 HydrophobicContact CB-CB 4.32Å; L59-I85 HydrophobicContact CD2-CD1 4.38Å; L59-I85 PolarHBondContact N-O 3.47Å; L59-I85 PolarHBondContact O-N 2.81Å; L59-I91 HydrophobicContact CB-CB 4.49Å; L59-I91 HydrophobicContact CB-CD1 4.35Å; L59-I91 HydrophobicContact CB-CG1 3.87Å; L59-I91 HydrophobicContact CB-CG2 4.14Å; L59-I91 HydrophobicContact CD2-CG2 4.34Å; L59-R94 HydrophobicContact CD2-CB 3.8Å; L59-R94 HydrophobicContact CD2-CG 3.61Å; L59-V95 HydrophobicContact CD1-CG2 4.02Å; L59-V95 HydrophobicContact CD2-CG2 4.13Å |
| 60 | K | 95.5 | Very high | 77 | Confident | 22 Ų | 22 | 61.7 Ų | 61.7 | 10% | 0.096 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 126.3 | 167.5 | -68 | -163.5 | 158.5 | -164.7 | 0 | 109 | E4 V48 W49 Y82 E84 | E4-K60 VanDerWaalsContact CD-NZ 3.28Å; E4-K60 IonicContact OE1-NZ 3.45Å; E4-K60 PolarHBondContact OE1-NZ 2.78Å; E4-K60 VanDerWaalsContact OE1-NZ 3.08Å; E4-K60 WeakPolarHBondContact OE2-CE 3.33Å; E4-K60 IonicContact OE2-NZ 2.62Å; E4-K60 PolarHBondContact OE2-NZ 3.38Å; V48-K60 CarbonylContact C-O 3.49Å; V48-K60 WeakPolarHBondContact CA-O 3.38Å; W49-K60 HydrophobicContact CB-CB 4.21Å; W49-K60 PolarHBondContact N-O 3.23Å; W49-K60 PolarHBondContact O-N 2.88Å; K60-Y82 HydrophobicContact CB-CD1 4.06Å; K60-Y82 HydrophobicContact CB-CG 4.3Å; K60-Y82 HydrophobicContact CD-CD2 4.42Å; K60-Y82 HydrophobicContact CD-CG 4.24Å; K60-E84 WeakPolarHBondContact CE-OE1 3.48Å; K60-E84 HydrophobicContact CG-CG 4.16Å; K60-E84 IonicContact NZ-OE1 2.81Å |
| 61 | C | 93.9 | Very high | 74.1 | Confident | 5 Ų | 5 | 67.8 Ų | 67.8 | 3% | 0.034 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 141.5 | 173 | -69.9 | 0 | 0 | 0 | 0 | 109.8 | Y82 K83 | C61-Y82 WeakPolarHBondContact O-CA 3.22Å; C61-Y82 WeakPolarHBondContact O-CD1 3.2Å; C61-K83 HydrophobicContact CB-CB 4.49Å; C61-K83 PolarHBondContact N-O 2.78Å; C61-K83 PolarHBondContact O-N 2.88Å |
| 62 | P | 90.6 | Very high | 71.1 | Confident | 36 Ų | 36 | 73.5 Ų | 73.5 | 23% | 0.234 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 150.9 | 174 | 32.9 | -33.8 | 0 | 0 | 0 | 108.8 | R46 D47 | R46-P62 WeakPolarHBondContact O-CG 3.44Å; D47-P62 HydrophobicContact CB-CB 4.16Å; D47-P62 HydrophobicContact CB-CG 4.11Å; D47-P62 WeakPolarHBondContact O-CD 3.45Å |
| 63 | I | 83.9 | Confident | 68.5 | Low | 43 Ų | 43 | 72.9 Ų | 72.9 | 22% | 0.221 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -88.9 | 118.6 | 171.1 | -59.4 | 178.6 | 0 | 0 | 0 | 107.4 | V3 R74 R81 K83 | V3-I63 HydrophobicContact CB-CD1 3.78Å; V3-I63 HydrophobicContact CG1-CD1 3.16Å; V3-I63 HydrophobicContact CG2-CD1 3.37Å; I63-R74 PolarHBondContact O-NH2 2.99Å; I63-R81 HydrophobicContact CD1-CB 4.27Å; I63-K83 HydrophobicContact CG1-CB 4.36Å |
| 64 | D | 66 | Low | 66.1 | Low | 124 Ų | 124 | 78.3 Ų | 78.3 | 66% | 0.663 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 136.2 | 172.4 | -72.9 | -38 | 0 | 0 | 0 | 108.9 | V66 | D64-V66 PolarHBondContact O-N 3.01Š|
| 65 | P | 53.2 | Low | 64.3 | Low | 46 Ų | 46 | 80.6 Ų | 80.6 | 30% | 0.299 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 117 | 174.2 | 24 | -26.7 | 0 | 0 | 0 | 107.5 | N67 G68 | P65-N67 PolarHBondContact O-N 3.23Å; P65-G68 PolarHBondContact O-N 3.38Å; P65-G68 VanDerWaalsContact O-N 3.11Å |
| 66 | V | 41.3 | Very low | 62.8 | Low | 113 Ų | 113 | 82.1 Ų | 82.1 | 69% | 0.685 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 116.6 | 173.2 | -180 | 0 | 0 | 0 | 0 | 106.4 | D64 | D64-V66 PolarHBondContact O-N 3.01Š|
| 67 | N | 36.1 | Very low | 61.8 | Low | 144 Ų | 144 | 80.6 Ų | 80.6 | 77% | 0.77 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 21.3 | 179.1 | -52.9 | -31.9 | 0 | 0 | 0 | 119.1 | P65 T69 | P65-N67 PolarHBondContact O-N 3.23Å; N67-T69 PolarHBondContact O-N 3.47Å |
| 68 | G | 37.1 | Very low | 61 | Low | 66 Ų | 66 | 82.3 Ų | 82.3 | 68% | 0.68 | 46% | 0.458 | S | S | * | . | S | Bend | trans | 61.4 | 3.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P65 V70 | P65-G68 PolarHBondContact O-N 3.38Å; P65-G68 VanDerWaalsContact O-N 3.11Å; G68-V70 PolarHBondContact O-N 2.88Å; G68-V70 VanDerWaalsContact O-N 3.16Å |
| 69 | T | 35 | Very low | 60.5 | Low | 84 Ų | 84 | 81.7 Ų | 81.7 | 52% | 0.515 | 46% | 0.457 | S | S | . | . | trans | -75.5 | 101.5 | 166.2 | 40.6 | 0 | 0 | 0 | 0 | 106 | N67 E71 | N67-T69 PolarHBondContact O-N 3.47Å; T69-E71 PolarHBondContact O-N 3.19Å | ||
| 70 | V | 40.6 | Very low | 60.1 | Low | 110 Ų | 110 | 82.5 Ų | 82.5 | 67% | 0.667 | 46% | 0.462 | S | S | * | . | trans | -55.8 | 97.4 | 154 | -176.2 | 0 | 0 | 0 | 0 | 104.7 | G68 P72 | G68-V70 PolarHBondContact O-N 2.88Å; G68-V70 VanDerWaalsContact O-N 3.16Å; V70-P72 VanDerWaalsContact O-CD 3.3Å; V70-P72 WeakPolarHBondContact O-CD 3.23Å; V70-P72 VanDerWaalsContact O-N 3.1Å | ||
| 71 | E | 38.7 | Very low | 59.9 | Low | 129 Ų | 129 | 85.3 Ų | 85.3 | 60% | 0.603 | 47% | 0.472 | S | S | * | . | trans | -56.3 | 122.4 | 173 | -78.3 | -162.1 | 162.4 | 0 | 0 | 106.9 | T69 G73 R74 | T69-E71 PolarHBondContact O-N 3.19Å; E71-G73 VanDerWaalsContact C-N 3.34Å; E71-G73 PolarHBondContact O-N 3.42Å; E71-R74 PolarHBondContact O-N 2.91Å | ||
| 72 | P | 33.2 | Very low | 59.8 | Low | 138 Ų | 138 | 86.1 Ų | 86.1 | 90% | 0.896 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 101 | 174.8 | 24.3 | -30.7 | 0 | 0 | 0 | 107.3 | V70 | V70-P72 VanDerWaalsContact O-CD 3.3Å; V70-P72 WeakPolarHBondContact O-CD 3.23Å; V70-P72 VanDerWaalsContact O-N 3.1Å |
| 73 | G | 42.1 | Very low | 59.9 | Low | 38 Ų | 38 | 86.3 Ų | 86.3 | 39% | 0.392 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 135.7 | 2.2 | -172.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | E71 E75 K76 | E71-G73 VanDerWaalsContact C-N 3.34Å; E71-G73 PolarHBondContact O-N 3.42Å; G73-E75 PolarHBondContact O-N 3.47Å; G73-E75 VanDerWaalsContact O-N 3.12Å; G73-K76 WeakPolarHBondContact O-CA 3.28Å; G73-K76 WeakPolarHBondContact O-CB 3.36Å; G73-K76 PolarHBondContact O-N 3.34Å |
| 74 | R | 44.8 | Very low | 60.3 | Low | 146 Ų | 146 | 86.5 Ų | 86.5 | 55% | 0.551 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -51 | -33.6 | 171 | -111.6 | -175 | 177.7 | -169 | -4.3 | 113 | I63 E71 K76 | I63-R74 PolarHBondContact O-NH2 2.99Å; E71-R74 PolarHBondContact O-N 2.91Å; R74-K76 PolarHBondContact O-N 2.96Å |
| 75 | E | 47.9 | Very low | 61.6 | Low | 191 Ų | 191 | 81 Ų | 81 | 89% | 0.893 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -67.9 | -16 | 174.3 | -73.8 | 179.6 | 159.3 | 0 | 0 | 114.6 | G73 | G73-E75 PolarHBondContact O-N 3.47Å; G73-E75 VanDerWaalsContact O-N 3.12Å |
| 76 | K | 54.7 | Low | 63.6 | Low | 186 Ų | 186 | 83.4 Ų | 83.4 | 81% | 0.809 | 46% | 0.456 | S | S | * | . | G | 310 helix | trans | -101.6 | -7.7 | -177.7 | -64.8 | -174.9 | 179 | -178.5 | 0 | 114 | G73 R74 L78 | G73-K76 WeakPolarHBondContact O-CA 3.28Å; G73-K76 WeakPolarHBondContact O-CB 3.36Å; G73-K76 PolarHBondContact O-N 3.34Å; R74-K76 PolarHBondContact O-N 2.96Å; K76-L78 PolarHBondContact O-N 3.08Å |
| 77 | S | 72.3 | Confident | 66 | Low | 37 Ų | 37 | 82 Ų | 82 | 26% | 0.259 | 45% | 0.445 | S | S | . | . | trans | -75 | 117.2 | 177.3 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | C79 | S77-C79 PolarHBondContact O-N 2.9Å; S77-C79 PolarHBondContact OG-N 2.7Å; S77-C79 PolarHBondContact OG-O 2.85Å | ||
| 78 | L | 80.8 | Confident | 68.8 | Low | 39 Ų | 39 | 75.6 Ų | 75.6 | 20% | 0.204 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -66.6 | -15 | 169.1 | -68.8 | 176.2 | 0 | 0 | 0 | 112.9 | R7 K76 E191 | R7-L78 HydrophobicContact CG-CB 4.24Å; R7-L78 VanDerWaalsContact CZ-CD1 3.49Å; K76-L78 PolarHBondContact O-N 3.08Å; L78-E191 WeakPolarHBondContact CD2-O 3.23Å |
| 79 | C | 84.8 | Confident | 71.4 | Confident | 18 Ų | 18 | 75.4 Ų | 75.4 | 12% | 0.122 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 138.3 | -178.3 | -57.6 | 0 | 0 | 0 | 0 | 112.1 | V5 E6 S77 | V5-C79 HydrophobicContact CG1-CB 4.09Å; E6-C79 CarbonylContact O-C 3.59Å; E6-C79 WeakPolarHBondContact O-CA 3.35Å; E6-C79 WeakPolarHBondContact O-CB 3.45Å; S77-C79 PolarHBondContact O-N 2.9Å; S77-C79 PolarHBondContact OG-N 2.7Å; S77-C79 PolarHBondContact OG-O 2.85Å |
| 80 | T | 89.4 | Confident | 74.2 | Confident | 18 Ų | 18 | 74.7 Ų | 74.7 | 11% | 0.11 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 158.6 | 164.5 | 33.3 | 0 | 0 | 0 | 0 | 111.4 | V5 E6 Y82 | V5-T80 WeakPolarHBondContact CA-O 3.45Å; E6-T80 WeakPolarHBondContact CG-OG1 3.25Å; E6-T80 PolarHBondContact N-O 3.49Å; E6-T80 PolarHBondContact O-N 2.69Å; E6-T80 PolarHBondContact OE1-OG1 3.43Å; T80-Y82 HydrophobicContact CG2-CE2 4.25Å |
| 81 | R | 91.3 | Very high | 76.8 | Confident | 81 Ų | 81 | 69.5 Ų | 69.5 | 31% | 0.306 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 123.7 | -176.7 | -55.4 | 175.6 | -169.7 | 175.6 | -0.8 | 110.3 | E4 V5 I63 I172 Q176 | E4-R81 VanDerWaalsContact O-CA 3.25Å; E4-R81 WeakPolarHBondContact O-CA 3.36Å; V5-R81 HydrophobicContact CG1-CG 4.39Å; V5-R81 HydrophobicContact CG2-CG 4.49Å; I63-R81 HydrophobicContact CD1-CB 4.27Å; R81-I172 VanDerWaalsContact CZ-CG2 3.42Å; R81-Q176 VanDerWaalsContact NH2-OE1 3.09Å |
| 82 | Y | 91.9 | Very high | 79.4 | Confident | 22 Ų | 22 | 63.5 Ų | 63.5 | 9% | 0.086 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 145.9 | 179.8 | -68.9 | -78.6 | 0 | 0 | 0 | 111.3 | V3 E4 D47 K60 C61 T80 | V3-Y82 WeakPolarHBondContact CA-O 3.28Å; E4-Y82 PolarHBondContact N-O 2.86Å; E4-Y82 PolarHBondContact O-N 2.68Å; D47-Y82 PolarHBondContact OD1-OH 2.91Å; D47-Y82 WeakPolarHBondContact OD2-CE1 3.37Å; D47-Y82 PolarHBondContact OD2-OH 2.82Å; K60-Y82 HydrophobicContact CB-CD1 4.06Å; K60-Y82 HydrophobicContact CB-CG 4.3Å; K60-Y82 HydrophobicContact CD-CD2 4.42Å; K60-Y82 HydrophobicContact CD-CG 4.24Å; C61-Y82 WeakPolarHBondContact O-CA 3.22Å; C61-Y82 WeakPolarHBondContact O-CD1 3.2Å; T80-Y82 HydrophobicContact CG2-CE2 4.25Å |
| 83 | K | 92.6 | Very high | 82.2 | Confident | 39 Ų | 39 | 61.8 Ų | 61.8 | 17% | 0.17 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 123 | 161.6 | 179.4 | 172.7 | -179.5 | 162.2 | 0 | 107.8 | M1 C61 I63 I85 E168 | M1-K83 VanDerWaalsContact CE-NZ 3.29Å; M1-K83 WeakPolarHBondContact SD-CE 3.22Å; M1-K83 PolarHBondContact SD-NZ 2.76Å; C61-K83 HydrophobicContact CB-CB 4.49Å; C61-K83 PolarHBondContact N-O 2.78Å; C61-K83 PolarHBondContact O-N 2.88Å; I63-K83 HydrophobicContact CG1-CB 4.36Å; K83-I85 HydrophobicContact CG-CG1 4.44Å; K83-E168 IonicContact NZ-OE1 2.83Å; K83-E168 PolarHBondContact NZ-OE1 3.23Å; K83-E168 IonicContact NZ-OE2 2.72Å; K83-E168 PolarHBondContact NZ-OE2 3.04Å |
| 84 | E | 92.4 | Very high | 84.7 | Confident | 47 Ų | 47 | 63.8 Ų | 63.8 | 22% | 0.22 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 123.3 | 174.4 | -65.2 | -153.4 | 131.1 | 0 | 0 | 110.2 | R51 K60 | R51-E84 IonicContact NH2-OE1 2.82Å; R51-E84 PolarHBondContact NH2-OE1 3.47Å; K60-E84 WeakPolarHBondContact CE-OE1 3.48Å; K60-E84 HydrophobicContact CG-CG 4.16Å; K60-E84 IonicContact NZ-OE1 2.81Å |
| 85 | I | 93.9 | Very high | 87.1 | Confident | 8 Ų | 8 | 56.9 Ų | 56.9 | 4% | 0.041 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126.3 | 173.5 | -51.3 | 177.4 | 0 | 0 | 0 | 107.7 | E58 L59 K83 E90 I91 R94 | E58-I85 WeakPolarHBondContact CA-O 3.16Å; L59-I85 HydrophobicContact CB-CB 4.32Å; L59-I85 HydrophobicContact CD2-CD1 4.38Å; L59-I85 PolarHBondContact N-O 3.47Å; L59-I85 PolarHBondContact O-N 2.81Å; K83-I85 HydrophobicContact CG-CG1 4.44Å; I85-E90 HydrophobicContact CD1-CG 4.41Å; I85-E90 HydrophobicContact CG2-CB 3.8Å; I85-E90 HydrophobicContact CG2-CG 3.71Å; I85-I91 HydrophobicContact CB-CG1 4.14Å; I85-I91 HydrophobicContact CG2-CG1 3.77Å; I85-I91 WeakPolarHBondContact O-CD1 3.15Å; I85-R94 HydrophobicContact CD1-CB 4.34Å; I85-R94 HydrophobicContact CD1-CG 4.18Å |
| 86 | T | 94.2 | Very high | 89.2 | Confident | 98 Ų | 98 | 49.6 Ų | 49.6 | 60% | 0.601 | 24% | 0.243 | S | C | * | . | trans | -118.4 | -8 | 179.9 | 59 | 0 | 0 | 0 | 0 | 113.1 | E58 L88 | E58-T86 HydrophobicContact CG-CG2 4.26Å; T86-L88 PolarHBondContact O-N 2.67Å | ||
| 87 | N | 93.2 | Very high | 90.9 | Very high | 84 Ų | 84 | 46.4 Ų | 46.4 | 45% | 0.449 | 23% | 0.231 | S | C | . | . | trans | -80.3 | 113.6 | 174.5 | -178.7 | -91 | 0 | 0 | 0 | 110 | P89 E90 I91 | N87-P89 VanDerWaalsContact OD1-CD 3.26Å; N87-P89 WeakPolarHBondContact OD1-CD 3.45Å; N87-E90 HydrophobicContact CB-CB 4.05Å; N87-E90 WeakPolarHBondContact O-CB 3.34Å; N87-E90 PolarHBondContact O-N 2.55Å; N87-E90 PolarHBondContact OD1-N 2.87Å; N87-E90 VanDerWaalsContact OD1-N 3.14Å; N87-I91 WeakPolarHBondContact O-CG1 3.28Å; N87-I91 PolarHBondContact O-N 3.36Å | ||
| 88 | L | 93.3 | Very high | 91.9 | Very high | 9 Ų | 9 | 45.1 Ų | 45.1 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.6 | -44.4 | -174.1 | 177.7 | 61.5 | 0 | 0 | 0 | 114.4 | W57 T86 E90 I91 Y92 P112 W119 | W57-L88 HydrophobicContact CB-CD1 4Å; W57-L88 HydrophobicContact CG-CD1 3.78Å; T86-L88 PolarHBondContact O-N 2.67Å; L88-E90 VanDerWaalsContact C-N 3.31Å; L88-E90 PolarHBondContact O-N 2.65Å; L88-I91 WeakPolarHBondContact O-CB 3.5Å; L88-I91 PolarHBondContact O-N 3.32Å; L88-Y92 WeakPolarHBondContact O-CB 3.34Å; L88-Y92 PolarHBondContact O-N 3.48Å; L88-P112 HydrophobicContact CD1-CB 4.15Å; L88-P112 HydrophobicContact CD1-CG 4.48Å; L88-P112 HydrophobicContact CD2-CB 3.9Å; L88-P112 HydrophobicContact CD2-CG 4.39Å; L88-P112 HydrophobicContact CG-CB 3.77Å; L88-P112 HydrophobicContact CG-CG 3.87Å; L88-W119 HydrophobicContact CD1-CZ2 4.03Å |
| 89 | P | 92.6 | Very high | 92.3 | Very high | 62 Ų | 62 | 43.3 Ų | 43.3 | 40% | 0.403 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -55 | -43.3 | 172 | -28.7 | 34.4 | 0 | 0 | 0 | 113.8 | N87 Y92 Q93 | N87-P89 VanDerWaalsContact OD1-CD 3.26Å; N87-P89 WeakPolarHBondContact OD1-CD 3.45Å; P89-Y92 PolarHBondContact O-N 3.11Å; P89-Q93 WeakPolarHBondContact O-CG 3.41Å; P89-Q93 PolarHBondContact O-N 3.46Å; P89-Q93 VanDerWaalsContact O-N 3.14Å |
| 90 | E | 93.3 | Very high | 92.3 | Very high | 69 Ų | 69 | 49.9 Ų | 49.9 | 32% | 0.322 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -67.3 | -42.2 | 176.9 | -168.4 | -177.2 | 169.7 | 0 | 0 | 112 | I85 N87 L88 Y92 Q93 R94 | I85-E90 HydrophobicContact CD1-CG 4.41Å; I85-E90 HydrophobicContact CG2-CB 3.8Å; I85-E90 HydrophobicContact CG2-CG 3.71Å; N87-E90 HydrophobicContact CB-CB 4.05Å; N87-E90 WeakPolarHBondContact O-CB 3.34Å; N87-E90 PolarHBondContact O-N 2.55Å; N87-E90 PolarHBondContact OD1-N 2.87Å; N87-E90 VanDerWaalsContact OD1-N 3.14Å; L88-E90 VanDerWaalsContact C-N 3.31Å; L88-E90 PolarHBondContact O-N 2.65Å; E90-Y92 VanDerWaalsContact C-N 3.31Å; E90-Y92 PolarHBondContact O-N 2.95Å; E90-Q93 PolarHBondContact O-N 3.04Å; E90-R94 WeakPolarHBondContact O-CB 3.18Å; E90-R94 PolarHBondContact O-N 3.35Å |
| 91 | I | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55.2 | -49.3 | 173.5 | -69 | 172.9 | 0 | 0 | 0 | 110 | L50 W57 L59 I85 N87 L88 Q93 R94 V95 W119 | L50-I91 HydrophobicContact CD1-CG2 3.68Å; W57-I91 HydrophobicContact CB-CD1 3.66Å; W57-I91 WeakPolarHBondContact O-CD1 3.2Å; L59-I91 HydrophobicContact CB-CB 4.49Å; L59-I91 HydrophobicContact CB-CD1 4.35Å; L59-I91 HydrophobicContact CB-CG1 3.87Å; L59-I91 HydrophobicContact CB-CG2 4.14Å; L59-I91 HydrophobicContact CD2-CG2 4.34Å; I85-I91 HydrophobicContact CB-CG1 4.14Å; I85-I91 HydrophobicContact CG2-CG1 3.77Å; I85-I91 WeakPolarHBondContact O-CD1 3.15Å; N87-I91 WeakPolarHBondContact O-CG1 3.28Å; N87-I91 PolarHBondContact O-N 3.36Å; L88-I91 WeakPolarHBondContact O-CB 3.5Å; L88-I91 PolarHBondContact O-N 3.32Å; I91-Q93 PolarHBondContact O-N 3.18Å; I91-R94 PolarHBondContact O-N 2.92Å; I91-V95 HydrophobicContact CG2-CG2 4.13Å; I91-V95 WeakPolarHBondContact O-CB 3.2Å; I91-V95 VanDerWaalsContact O-CG2 3.23Å; I91-V95 WeakPolarHBondContact O-CG2 3.3Å; I91-V95 PolarHBondContact O-N 3.44Å; I91-W119 HydrophobicContact CG2-CH2 4.47Å |
| 92 | Y | 93.6 | Very high | 89.6 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.2 | -45.7 | -178.3 | 174 | -106.7 | 0 | 0 | 0 | 112.4 | L88 P89 E90 V95 K96 I110 P112 W119 L123 | L88-Y92 WeakPolarHBondContact O-CB 3.34Å; L88-Y92 PolarHBondContact O-N 3.48Å; P89-Y92 PolarHBondContact O-N 3.11Å; E90-Y92 VanDerWaalsContact C-N 3.31Å; E90-Y92 PolarHBondContact O-N 2.95Å; Y92-V95 PolarHBondContact O-N 3.02Å; Y92-K96 HydrophobicContact CD1-CD 4.06Å; Y92-K96 HydrophobicContact CD2-CD 4.44Å; Y92-K96 HydrophobicContact CE1-CD 3.53Å; Y92-K96 HydrophobicContact CE2-CD 3.93Å; Y92-K96 HydrophobicContact CE2-CG 4.34Å; Y92-K96 VanDerWaalsContact CZ-CD 3.46Å; Y92-K96 WeakPolarHBondContact O-CG 3.49Å; Y92-K96 PolarHBondContact O-N 3.49Å; Y92-I110 WeakPolarHBondContact CE1-O 3.49Å; Y92-P112 HydrophobicContact CD1-CG 4.31Å; Y92-P112 HydrophobicContact CG-CB 4.44Å; Y92-P112 HydrophobicContact CG-CG 3.98Å; Y92-W119 HydrophobicContact CD2-CB 4.31Å; Y92-W119 HydrophobicContact CD2-CD2 4.33Å; Y92-W119 AromaticContact CD2-CE3 3.81Å; Y92-W119 HydrophobicContact CD2-CE3 3.81Å; Y92-W119 HydrophobicContact CD2-CZ3 4.48Å; Y92-W119 HydrophobicContact CE2-CB 4.16Å; Y92-W119 HydrophobicContact CE2-CE3 4.41Å; Y92-L123 HydrophobicContact CD2-CD1 3.9Å; Y92-L123 HydrophobicContact CE2-CD1 3.87Å; Y92-L123 HydrophobicContact CE2-CD2 4.17Å; Y92-L123 HydrophobicContact CE2-CG 4.15Å |
| 93 | Q | 92.2 | Very high | 87.7 | Confident | 102 Ų | 102 | 55.6 Ų | 55.6 | 48% | 0.477 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 175.6 | -66 | -57.4 | -26 | 0 | 0 | 111 | P89 E90 I91 V95 K96 E97 | P89-Q93 WeakPolarHBondContact O-CG 3.41Å; P89-Q93 PolarHBondContact O-N 3.46Å; P89-Q93 VanDerWaalsContact O-N 3.14Å; E90-Q93 PolarHBondContact O-N 3.04Å; I91-Q93 PolarHBondContact O-N 3.18Å; Q93-V95 PolarHBondContact O-N 2.82Å; Q93-K96 WeakPolarHBondContact O-CB 3.34Å; Q93-K96 PolarHBondContact O-N 2.86Å; Q93-E97 WeakPolarHBondContact O-CG 3.2Å; Q93-E97 PolarHBondContact O-N 2.88Å |
| 94 | R | 94 | Very high | 85.8 | Confident | 80 Ų | 80 | 61.6 Ų | 61.6 | 30% | 0.302 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | -179.4 | -175.1 | 59.3 | -177.1 | 144.2 | -0.3 | 112.5 | L59 I85 E90 I91 E97 V98 | L59-R94 HydrophobicContact CD2-CB 3.8Å; L59-R94 HydrophobicContact CD2-CG 3.61Å; I85-R94 HydrophobicContact CD1-CB 4.34Å; I85-R94 HydrophobicContact CD1-CG 4.18Å; E90-R94 WeakPolarHBondContact O-CB 3.18Å; E90-R94 PolarHBondContact O-N 3.35Å; I91-R94 PolarHBondContact O-N 2.92Å; R94-E97 WeakPolarHBondContact CD-OE2 3.29Å; R94-E97 IonicContact CZ-OE2 3.94Å; R94-E97 IonicContact NH1-OE2 2.95Å; R94-E97 PolarHBondContact NH1-OE2 3.27Å; R94-E97 WeakPolarHBondContact O-CB 3.41Å; R94-E97 PolarHBondContact O-N 3.44Å; R94-V98 WeakPolarHBondContact O-CG2 3.48Å; R94-V98 PolarHBondContact O-N 2.62Å; R94-V98 VanDerWaalsContact O-N 3.11Å |
| 95 | V | 94.9 | Very high | 84 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 175.9 | 169 | 0 | 0 | 0 | 0 | 110.1 | L43 L50 L59 I91 Y92 Q93 E97 V98 I99 L123 L125 | L43-V95 HydrophobicContact CD1-CG1 4.38Å; L43-V95 HydrophobicContact CD2-CG1 4.24Å; L50-V95 HydrophobicContact CD2-CG2 4.32Å; L59-V95 HydrophobicContact CD1-CG2 4.02Å; L59-V95 HydrophobicContact CD2-CG2 4.13Å; I91-V95 HydrophobicContact CG2-CG2 4.13Å; I91-V95 WeakPolarHBondContact O-CB 3.2Å; I91-V95 VanDerWaalsContact O-CG2 3.23Å; I91-V95 WeakPolarHBondContact O-CG2 3.3Å; I91-V95 PolarHBondContact O-N 3.44Å; Y92-V95 PolarHBondContact O-N 3.02Å; Q93-V95 PolarHBondContact O-N 2.82Å; V95-E97 VanDerWaalsContact C-N 3.34Å; V95-E97 PolarHBondContact O-N 3.16Å; V95-V98 PolarHBondContact O-N 2.81Å; V95-V98 VanDerWaalsContact O-N 3.15Å; V95-I99 HydrophobicContact CG1-CD1 4.41Å; V95-I99 HydrophobicContact CG1-CG2 4.43Å; V95-I99 VanDerWaalsContact O-CG1 3.29Å; V95-I99 WeakPolarHBondContact O-CG1 3.32Å; V95-I99 PolarHBondContact O-N 3.45Å; V95-L123 HydrophobicContact CB-CD1 4.31Å; V95-L123 HydrophobicContact CG1-CD1 3.58Å; V95-L125 HydrophobicContact CG1-CD1 4.01Å |
| 96 | K | 92.2 | Very high | 82.1 | Confident | 39 Ų | 39 | 66.2 Ų | 66.2 | 17% | 0.17 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.1 | -44.8 | 177.7 | -80.1 | 178.3 | 63.9 | 178.9 | 0 | 112.9 | Y92 Q93 I99 K100 V101 L123 | Y92-K96 HydrophobicContact CD1-CD 4.06Å; Y92-K96 HydrophobicContact CD2-CD 4.44Å; Y92-K96 HydrophobicContact CE1-CD 3.53Å; Y92-K96 HydrophobicContact CE2-CD 3.93Å; Y92-K96 HydrophobicContact CE2-CG 4.34Å; Y92-K96 VanDerWaalsContact CZ-CD 3.46Å; Y92-K96 WeakPolarHBondContact O-CG 3.49Å; Y92-K96 PolarHBondContact O-N 3.49Å; Q93-K96 WeakPolarHBondContact O-CB 3.34Å; Q93-K96 PolarHBondContact O-N 2.86Å; K96-I99 WeakPolarHBondContact O-CG1 3.27Å; K96-K100 PolarHBondContact O-N 2.72Å; K96-V101 PolarHBondContact O-N 2.85Å; K96-L123 HydrophobicContact CD-CD2 4.35Å; K96-L123 HydrophobicContact CG-CD1 4.03Å; K96-L123 HydrophobicContact CG-CD2 3.72Å |
| 97 | E | 91.9 | Very high | 80.1 | Confident | 118 Ų | 118 | 71.5 Ų | 71.5 | 55% | 0.551 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.7 | -47.6 | 175.6 | -69.5 | 168.8 | -176.6 | 0 | 0 | 111.6 | Q93 R94 V95 K100 | Q93-E97 WeakPolarHBondContact O-CG 3.2Å; Q93-E97 PolarHBondContact O-N 2.88Å; R94-E97 WeakPolarHBondContact CD-OE2 3.29Å; R94-E97 IonicContact CZ-OE2 3.94Å; R94-E97 IonicContact NH1-OE2 2.95Å; R94-E97 PolarHBondContact NH1-OE2 3.27Å; R94-E97 WeakPolarHBondContact O-CB 3.41Å; R94-E97 PolarHBondContact O-N 3.44Å; V95-E97 VanDerWaalsContact C-N 3.34Å; V95-E97 PolarHBondContact O-N 3.16Å; E97-K100 PolarHBondContact O-N 2.71Å |
| 98 | V | 91.6 | Very high | 78.3 | Confident | 10 Ų | 10 | 70.2 Ų | 70.2 | 6% | 0.061 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.8 | -42.8 | -175.3 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | L43 R46 V48 R94 V95 K100 | L43-V98 HydrophobicContact CD2-CB 3.96Å; L43-V98 HydrophobicContact CD2-CG1 3.56Å; R46-V98 HydrophobicContact CB-CG1 4.25Å; R46-V98 VanDerWaalsContact CD-CG1 3.49Å; R46-V98 HydrophobicContact CG-CG1 4.48Å; V48-V98 HydrophobicContact CB-CG1 4.45Å; V48-V98 HydrophobicContact CG2-CG1 4.21Å; V48-V98 HydrophobicContact CG2-CG2 4.19Å; R94-V98 WeakPolarHBondContact O-CG2 3.48Å; R94-V98 PolarHBondContact O-N 2.62Å; R94-V98 VanDerWaalsContact O-N 3.11Å; V95-V98 PolarHBondContact O-N 2.81Å; V95-V98 VanDerWaalsContact O-N 3.15Å; V98-K100 PolarHBondContact O-N 2.88Å |
| 99 | I | 90.9 | Very high | 76.8 | Confident | 2 Ų | 2 | 77.9 Ų | 77.9 | 1% | 0.01 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -76.9 | -6.5 | 178.6 | 66.8 | -179 | 0 | 0 | 0 | 113.4 | T38 K42 L43 V95 K96 V101 L123 | T38-I99 HydrophobicContact CG2-CG2 4.07Å; K42-I99 HydrophobicContact CB-CB 4.49Å; K42-I99 HydrophobicContact CB-CG2 4.05Å; K42-I99 HydrophobicContact CD-CB 3.98Å; K42-I99 HydrophobicContact CD-CG2 4.33Å; K42-I99 PolarHBondContact NZ-O 2.82Å; K42-I99 VanDerWaalsContact NZ-O 3.13Å; L43-I99 HydrophobicContact CD2-CG2 3.66Å; L43-I99 HydrophobicContact CG-CG2 4.23Å; V95-I99 HydrophobicContact CG1-CD1 4.41Å; V95-I99 HydrophobicContact CG1-CG2 4.43Å; V95-I99 VanDerWaalsContact O-CG1 3.29Å; V95-I99 WeakPolarHBondContact O-CG1 3.32Å; V95-I99 PolarHBondContact O-N 3.45Å; K96-I99 WeakPolarHBondContact O-CG1 3.27Å; I99-V101 VanDerWaalsContact C-N 3.33Å; I99-V101 HydrophobicContact CD1-CB 4.2Å; I99-V101 HydrophobicContact CD1-CG2 3.43Å; I99-V101 VanDerWaalsContact CD1-CG2 3.43Å; I99-V101 HydrophobicContact CG1-CB 4.13Å; I99-V101 HydrophobicContact CG1-CG2 3.6Å; I99-V101 PolarHBondContact O-N 3.21Å; I99-L123 HydrophobicContact CD1-CB 3.86Å; I99-L123 HydrophobicContact CD1-CD1 4.21Å; I99-L123 HydrophobicContact CD1-CD2 3.99Å; I99-L123 HydrophobicContact CD1-CG 4.22Å |
| 100 | K | 84.6 | Confident | 75.6 | Confident | 156 Ų | 156 | 77.1 Ų | 77.1 | 68% | 0.678 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 41.2 | -178 | -56.5 | -175.9 | 178.4 | -174.5 | 0 | 113.5 | K96 E97 V98 T102 | K96-K100 PolarHBondContact O-N 2.72Å; E97-K100 PolarHBondContact O-N 2.71Å; V98-K100 PolarHBondContact O-N 2.88Å; K100-T102 PolarHBondContact O-N 2.91Å |
| 101 | V | 66 | Low | 74.9 | Confident | 39 Ų | 39 | 79.5 Ų | 79.5 | 24% | 0.236 | 41% | 0.414 | C | S | . | . | trans | -72.4 | 110.8 | 172.3 | 165.9 | 0 | 0 | 0 | 0 | 107.7 | K96 I99 D105 C106 | K96-V101 PolarHBondContact O-N 2.85Å; I99-V101 VanDerWaalsContact C-N 3.33Å; I99-V101 HydrophobicContact CD1-CB 4.2Å; I99-V101 HydrophobicContact CD1-CG2 3.43Å; I99-V101 VanDerWaalsContact CD1-CG2 3.43Å; I99-V101 HydrophobicContact CG1-CB 4.13Å; I99-V101 HydrophobicContact CG1-CG2 3.6Å; I99-V101 PolarHBondContact O-N 3.21Å; V101-D105 HydrophobicContact CG1-CB 4.32Å; V101-C106 WeakPolarHBondContact CG1-SG 3.34Å | ||
| 102 | T | 56.4 | Low | 74.3 | Confident | 82 Ų | 82 | 80.2 Ų | 80.2 | 50% | 0.503 | 42% | 0.418 | S | S | . | . | trans | -71.3 | 150.3 | 173.3 | 50 | 0 | 0 | 0 | 0 | 109.6 | K100 E104 D105 | K100-T102 PolarHBondContact O-N 2.91Å; T102-E104 PolarHBondContact O-N 3.38Å; T102-D105 PolarHBondContact O-N 3.06Å | ||
| 103 | C | 53 | Low | 73.8 | Confident | 120 Ų | 120 | 82.4 Ų | 82.4 | 81% | 0.811 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -14.4 | -175.3 | -2 | 0 | 0 | 0 | 0 | 114 | ||
| 104 | E | 52.9 | Low | 73.2 | Confident | 164 Ų | 164 | 81.5 Ų | 81.5 | 77% | 0.766 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -26.7 | 179.7 | -67 | 173.4 | 161.8 | 0 | 0 | 113 | T102 | T102-E104 PolarHBondContact O-N 3.38Š|
| 105 | D | 54.3 | Low | 72.7 | Confident | 130 Ų | 130 | 86.8 Ų | 86.8 | 70% | 0.695 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -85.2 | -15.9 | -179.6 | -74 | -29.1 | 0 | 0 | 0 | 113.4 | V101 T102 | V101-D105 HydrophobicContact CG1-CB 4.32Å; T102-D105 PolarHBondContact O-N 3.06Å |
| 106 | C | 54.5 | Low | 72.3 | Confident | 22 Ų | 22 | 90.8 Ų | 90.8 | 15% | 0.149 | 48% | 0.482 | C | S | . | . | trans | -116.2 | 79.4 | -175 | -64.3 | 0 | 0 | 0 | 0 | 110.7 | V101 A108 | V101-C106 WeakPolarHBondContact CG1-SG 3.34Å; C106-A108 PolarHBondContact O-N 3.42Å; C106-A108 VanDerWaalsContact O-N 3.11Å | ||
| 107 | K | 52.2 | Low | 72.2 | Confident | 209 Ų | 209 | 91 Ų | 91 | 91% | 0.909 | 49% | 0.485 | S | S | * | . | trans | -70.4 | 1.7 | -179.9 | -71.6 | -173.5 | 177.8 | 179.1 | 0 | 115.3 | ||||
| 108 | A | 55 | Low | 72 | Confident | 57 Ų | 57 | 87.3 Ų | 87.3 | 47% | 0.471 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -130.1 | 128.3 | 178 | 0 | 0 | 0 | 0 | 0 | 110.3 | C106 I110 | C106-A108 PolarHBondContact O-N 3.42Å; C106-A108 VanDerWaalsContact O-N 3.11Å; A108-I110 HydrophobicContact CB-CG1 4.04Å; A108-I110 PolarHBondContact O-N 3.47Å |
| 109 | D | 61 | Low | 71.9 | Confident | 170 Ų | 170 | 86.8 Ų | 86.8 | 91% | 0.909 | 47% | 0.469 | S | S | * | . | trans | -66.7 | 81.5 | 162.5 | -80.5 | -36.8 | 0 | 0 | 0 | 108.3 | T111 | D109-T111 PolarHBondContact O-N 2.86Š| ||
| 110 | I | 68.9 | Low | 72 | Confident | 47 Ų | 47 | 87.3 Ų | 87.3 | 24% | 0.241 | 47% | 0.472 | C | S | . | . | trans | -76 | 116.7 | 172.6 | -59.2 | 175.2 | 0 | 0 | 0 | 107.2 | Y92 A108 P112 T122 | Y92-I110 WeakPolarHBondContact CE1-O 3.49Å; A108-I110 HydrophobicContact CB-CG1 4.04Å; A108-I110 PolarHBondContact O-N 3.47Å; I110-P112 WeakPolarHBondContact O-CD 3.41Å; I110-T122 HydrophobicContact CD1-CG2 4Å; I110-T122 WeakPolarHBondContact CD1-OG1 3.36Å | ||
| 111 | T | 77.7 | Confident | 72.3 | Confident | 119 Ų | 119 | 86 Ų | 86 | 73% | 0.73 | 47% | 0.472 | S | S | * | . | trans | -82.6 | 114 | 163.7 | -55 | 0 | 0 | 0 | 0 | 107.4 | D109 | D109-T111 PolarHBondContact O-N 2.86Š| ||
| 112 | P | 82.5 | Confident | 73.4 | Confident | 14 Ų | 14 | 86.7 Ų | 86.7 | 9% | 0.091 | 48% | 0.477 | C | S | . | . | trans | -65.2 | 144.1 | 178.6 | 32.6 | -39.6 | 0 | 0 | 0 | 110 | L88 Y92 I110 W119 | L88-P112 HydrophobicContact CD1-CB 4.15Å; L88-P112 HydrophobicContact CD1-CG 4.48Å; L88-P112 HydrophobicContact CD2-CB 3.9Å; L88-P112 HydrophobicContact CD2-CG 4.39Å; L88-P112 HydrophobicContact CG-CB 3.77Å; L88-P112 HydrophobicContact CG-CG 3.87Å; Y92-P112 HydrophobicContact CD1-CG 4.31Å; Y92-P112 HydrophobicContact CG-CB 4.44Å; Y92-P112 HydrophobicContact CG-CG 3.98Å; I110-P112 WeakPolarHBondContact O-CD 3.41Å; P112-W119 HydrophobicContact CB-CB 4.47Å; P112-W119 HydrophobicContact CB-CG 4.15Å | ||
| 113 | S | 83.7 | Confident | 75.1 | Confident | 51 Ų | 51 | 83 Ų | 83 | 36% | 0.357 | 45% | 0.454 | S | S | . | . | B | Isolated β-bridge | trans | -124.4 | 146.9 | 176.8 | 173.6 | 0 | 0 | 0 | 0 | 109.4 | E115 D116 | S113-E115 PolarHBondContact O-N 2.81Å; S113-E115 PolarHBondContact OG-N 2.81Å; S113-D116 CarbonylContact O-C 3.54Å; S113-D116 PolarHBondContact O-N 2.96Å |
| 114 | D | 80 | Confident | 77 | Confident | 83 Ų | 83 | 84.9 Ų | 84.9 | 44% | 0.444 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -21 | 174.5 | -72.5 | -50.7 | 0 | 0 | 0 | 112.6 | R52 | R52-D114 PolarHBondContact NH2-O 3.29Š|
| 115 | E | 83.4 | Confident | 79.1 | Confident | 190 Ų | 190 | 77.4 Ų | 77.4 | 89% | 0.888 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -20.5 | 177.5 | -62.3 | -176.5 | 173.4 | 0 | 0 | 113 | S113 | S113-E115 PolarHBondContact O-N 2.81Å; S113-E115 PolarHBondContact OG-N 2.81Å |
| 116 | D | 85.6 | Confident | 81.1 | Confident | 85 Ų | 85 | 74.7 Ų | 74.7 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | B | Isolated β-bridge | trans | -128 | 106.7 | -175.4 | -177.1 | 17.5 | 0 | 0 | 0 | 112.2 | S113 S118 | S113-D116 CarbonylContact O-C 3.54Å; S113-D116 PolarHBondContact O-N 2.96Å; D116-S118 PolarHBondContact O-N 2.72Å; D116-S118 WeakPolarHBondContact OD1-CB 3.33Å; D116-S118 PolarHBondContact OD1-N 2.7Å; D116-S118 PolarHBondContact OD1-OG 2.88Å; D116-S118 WeakPolarHBondContact OD2-CB 3.36Å; D116-S118 PolarHBondContact OD2-OG 2.85Å |
| 117 | D | 89.1 | Confident | 83.1 | Confident | 42 Ų | 42 | 76.3 Ų | 76.3 | 23% | 0.225 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 8 | 176.8 | -76.1 | 6.3 | 0 | 0 | 0 | 113.2 | R52 W119 L120 | R52-D117 IonicContact CZ-OD1 3.61Å; R52-D117 VanDerWaalsContact CZ-OD1 3.26Å; R52-D117 IonicContact CZ-OD2 2.61Å; R52-D117 IonicContact NE-OD1 3.26Å; R52-D117 IonicContact NH1-OD1 3.87Å; R52-D117 PolarHBondContact NH1-OD1 3.4Å; R52-D117 IonicContact NH1-OD2 3.26Å; R52-D117 PolarHBondContact NH1-OD2 3.35Å; R52-D117 IonicContact NH2-OD1 3Å; D117-W119 PolarHBondContact O-N 3.34Å; D117-L120 HydrophobicContact CB-CD1 3.91Å; D117-L120 HydrophobicContact CB-CG 4.38Å; D117-L120 VanDerWaalsContact O-CB 3.29Å; D117-L120 WeakPolarHBondContact O-CB 3.49Å; D117-L120 WeakPolarHBondContact O-CG 3.26Å; D117-L120 PolarHBondContact O-N 2.92Å |
| 118 | S | 88.8 | Confident | 85.3 | Confident | 41 Ų | 41 | 67.2 Ų | 67.2 | 29% | 0.287 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -54.3 | -28.8 | -178.4 | 65 | 0 | 0 | 0 | 0 | 113.7 | D116 L120 N121 T122 | D116-S118 PolarHBondContact O-N 2.72Å; D116-S118 WeakPolarHBondContact OD1-CB 3.33Å; D116-S118 PolarHBondContact OD1-N 2.7Å; D116-S118 PolarHBondContact OD1-OG 2.88Å; D116-S118 WeakPolarHBondContact OD2-CB 3.36Å; D116-S118 PolarHBondContact OD2-OG 2.85Å; S118-L120 PolarHBondContact O-N 3.04Å; S118-N121 WeakPolarHBondContact O-CB 3.48Å; S118-N121 PolarHBondContact O-N 2.95Å; S118-T122 PolarHBondContact O-N 3.27Å |
| 119 | W | 90.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.9 | -27.8 | 175.4 | 71.9 | -89.2 | 0 | 0 | 0 | 113.2 | L50 W57 L88 I91 Y92 P112 D117 N121 T122 L123 L125 | L50-W119 HydrophobicContact CD1-CH2 4.22Å; L50-W119 HydrophobicContact CD2-CH2 3.68Å; L50-W119 HydrophobicContact CD2-CZ3 4.24Å; W57-W119 AromaticContact CD2-CZ2 3.82Å; W57-W119 HydrophobicContact CD2-CZ2 3.82Å; W57-W119 AromaticContact CE2-CZ2 3.71Å; W57-W119 HydrophobicContact CE3-CH2 4.41Å; W57-W119 AromaticContact CE3-CZ2 3.95Å; W57-W119 HydrophobicContact CE3-CZ2 3.95Å; W57-W119 HydrophobicContact CG-CZ2 4.5Å; W57-W119 AromaticContact CH2-CZ2 3.91Å; W57-W119 HydrophobicContact CH2-CZ2 3.91Å; W57-W119 AromaticContact CZ2-CZ2 3.76Å; W57-W119 HydrophobicContact CZ2-CZ2 3.76Å; W57-W119 HydrophobicContact CZ3-CH2 4.36Å; W57-W119 AromaticContact CZ3-CZ2 3.98Å; W57-W119 HydrophobicContact CZ3-CZ2 3.98Å; L88-W119 HydrophobicContact CD1-CZ2 4.03Å; I91-W119 HydrophobicContact CG2-CH2 4.47Å; Y92-W119 HydrophobicContact CD2-CB 4.31Å; Y92-W119 HydrophobicContact CD2-CD2 4.33Å; Y92-W119 AromaticContact CD2-CE3 3.81Å; Y92-W119 HydrophobicContact CD2-CE3 3.81Å; Y92-W119 HydrophobicContact CD2-CZ3 4.48Å; Y92-W119 HydrophobicContact CE2-CB 4.16Å; Y92-W119 HydrophobicContact CE2-CE3 4.41Å; P112-W119 HydrophobicContact CB-CB 4.47Å; P112-W119 HydrophobicContact CB-CG 4.15Å; D117-W119 PolarHBondContact O-N 3.34Å; W119-N121 VanDerWaalsContact C-N 3.31Å; W119-N121 PolarHBondContact O-N 3.03Å; W119-T122 WeakPolarHBondContact O-CB 3.06Å; W119-T122 PolarHBondContact O-N 3.48Å; W119-L123 HydrophobicContact CE3-CD1 3.78Å; W119-L123 HydrophobicContact CE3-CG 4.38Å; W119-L123 HydrophobicContact CZ3-CD1 3.94Å; W119-L123 WeakPolarHBondContact O-CG 3.39Å; W119-L123 PolarHBondContact O-N 3.32Å; W119-L125 HydrophobicContact CE3-CD1 4.28Å; W119-L125 HydrophobicContact CH2-CD1 4.27Å; W119-L125 HydrophobicContact CZ3-CD1 3.63Å |
| 120 | L | 93.1 | Very high | 89.1 | Confident | 13 Ų | 13 | 60.9 Ų | 60.9 | 7% | 0.068 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 173.6 | -63.2 | 176.6 | 0 | 0 | 0 | 111.1 | F36 W57 D117 S118 L123 K124 L125 | F36-L120 HydrophobicContact CD1-CD1 3.92Å; F36-L120 HydrophobicContact CD1-CD2 4.28Å; F36-L120 HydrophobicContact CE1-CD1 3.65Å; F36-L120 HydrophobicContact CG-CD2 4.43Å; F36-L120 HydrophobicContact CZ-CD1 4.21Å; W57-L120 HydrophobicContact CH2-CD1 3.77Å; W57-L120 HydrophobicContact CH2-CD2 3.64Å; W57-L120 HydrophobicContact CH2-CG 4.12Å; W57-L120 HydrophobicContact CZ2-CD1 4.09Å; W57-L120 HydrophobicContact CZ2-CD2 4.25Å; W57-L120 HydrophobicContact CZ2-CG 4.37Å; W57-L120 HydrophobicContact CZ3-CD2 4.24Å; D117-L120 HydrophobicContact CB-CD1 3.91Å; D117-L120 HydrophobicContact CB-CG 4.38Å; D117-L120 VanDerWaalsContact O-CB 3.29Å; D117-L120 WeakPolarHBondContact O-CB 3.49Å; D117-L120 WeakPolarHBondContact O-CG 3.26Å; D117-L120 PolarHBondContact O-N 2.92Å; S118-L120 PolarHBondContact O-N 3.04Å; L120-L123 CarbonylContact O-C 3.53Å; L120-L123 PolarHBondContact O-N 3.02Å; L120-K124 PolarHBondContact O-N 2.73Å; L120-L125 HydrophobicContact CB-CB 4.25Å; L120-L125 HydrophobicContact CD2-CB 3.98Å; L120-L125 HydrophobicContact CD2-CD1 3.76Å; L120-L125 PolarHBondContact O-N 3.3Å |
| 121 | N | 90.4 | Very high | 90.5 | Very high | 128 Ų | 128 | 58.7 Ų | 58.7 | 68% | 0.684 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.2 | -41.2 | 179.1 | -64.2 | -47.4 | 0 | 0 | 0 | 111 | S118 W119 L123 K124 | S118-N121 WeakPolarHBondContact O-CB 3.48Å; S118-N121 PolarHBondContact O-N 2.95Å; W119-N121 VanDerWaalsContact C-N 3.31Å; W119-N121 PolarHBondContact O-N 3.03Å; N121-L123 PolarHBondContact O-N 2.97Å; N121-K124 PolarHBondContact O-N 3.41Å |
| 122 | T | 88.8 | Confident | 91.5 | Very high | 54 Ų | 54 | 54.5 Ų | 54.5 | 33% | 0.331 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.1 | -40.9 | 175.2 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | I110 S118 W119 K124 | I110-T122 HydrophobicContact CD1-CG2 4Å; I110-T122 WeakPolarHBondContact CD1-OG1 3.36Å; S118-T122 PolarHBondContact O-N 3.27Å; W119-T122 WeakPolarHBondContact O-CB 3.06Å; W119-T122 PolarHBondContact O-N 3.48Å; T122-K124 VanDerWaalsContact C-N 3.32Å |
| 123 | L | 91.2 | Very high | 92.3 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 4.8 | 179.6 | -55.5 | -169.4 | 0 | 0 | 0 | 113.5 | Y92 V95 K96 I99 W119 L120 N121 L125 | Y92-L123 HydrophobicContact CD2-CD1 3.9Å; Y92-L123 HydrophobicContact CE2-CD1 3.87Å; Y92-L123 HydrophobicContact CE2-CD2 4.17Å; Y92-L123 HydrophobicContact CE2-CG 4.15Å; V95-L123 HydrophobicContact CB-CD1 4.31Å; V95-L123 HydrophobicContact CG1-CD1 3.58Å; K96-L123 HydrophobicContact CD-CD2 4.35Å; K96-L123 HydrophobicContact CG-CD1 4.03Å; K96-L123 HydrophobicContact CG-CD2 3.72Å; I99-L123 HydrophobicContact CD1-CB 3.86Å; I99-L123 HydrophobicContact CD1-CD1 4.21Å; I99-L123 HydrophobicContact CD1-CD2 3.99Å; I99-L123 HydrophobicContact CD1-CG 4.22Å; W119-L123 HydrophobicContact CE3-CD1 3.78Å; W119-L123 HydrophobicContact CE3-CG 4.38Å; W119-L123 HydrophobicContact CZ3-CD1 3.94Å; W119-L123 WeakPolarHBondContact O-CG 3.39Å; W119-L123 PolarHBondContact O-N 3.32Å; L120-L123 CarbonylContact O-C 3.53Å; L120-L123 PolarHBondContact O-N 3.02Å; N121-L123 PolarHBondContact O-N 2.97Å; L123-L125 HydrophobicContact CB-CD1 3.89Å; L123-L125 HydrophobicContact CB-CG 3.91Å; L123-L125 HydrophobicContact CD1-CD1 4.26Å; L123-L125 PolarHBondContact O-N 3.46Å |
| 124 | K | 93.9 | Very high | 93 | Very high | 159 Ų | 159 | 53.1 Ų | 53.1 | 69% | 0.691 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 38.4 | -176.7 | -55.9 | 178.5 | -177.3 | 173.8 | 0 | 112.9 | P39 L120 N121 T122 | P39-K124 WeakPolarHBondContact CD-O 3.2Å; L120-K124 PolarHBondContact O-N 2.73Å; N121-K124 PolarHBondContact O-N 3.41Å; T122-K124 VanDerWaalsContact C-N 3.32Å |
| 125 | L | 96.3 | Very high | 93.8 | Very high | 6 Ų | 6 | 50 Ų | 50 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | trans | -87.3 | 134.2 | 176.6 | -64.4 | 169.4 | 0 | 0 | 0 | 110 | F36 D37 T38 L43 L50 V95 W119 L120 L123 | F36-L125 HydrophobicContact CB-CB 4.42Å; D37-L125 CarbonylContact O-C 3.53Å; D37-L125 WeakPolarHBondContact O-CA 3.34Å; T38-L125 HydrophobicContact CG2-CD2 3.93Å; L43-L125 HydrophobicContact CD1-CD2 3.88Å; L50-L125 HydrophobicContact CD2-CD1 3.76Å; V95-L125 HydrophobicContact CG1-CD1 4.01Å; W119-L125 HydrophobicContact CE3-CD1 4.28Å; W119-L125 HydrophobicContact CH2-CD1 4.27Å; W119-L125 HydrophobicContact CZ3-CD1 3.63Å; L120-L125 HydrophobicContact CB-CB 4.25Å; L120-L125 HydrophobicContact CD2-CB 3.98Å; L120-L125 HydrophobicContact CD2-CD1 3.76Å; L120-L125 PolarHBondContact O-N 3.3Å; L123-L125 HydrophobicContact CB-CD1 3.89Å; L123-L125 HydrophobicContact CB-CG 3.91Å; L123-L125 HydrophobicContact CD1-CD1 4.26Å; L123-L125 PolarHBondContact O-N 3.46Å | ||
| 126 | C | 96.5 | Very high | 94.5 | Very high | 73 Ų | 73 | 44.3 Ų | 44.3 | 49% | 0.493 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 144.6 | 177.8 | -63.5 | 0 | 0 | 0 | 0 | 109.9 | F36 D37 F128 | F36-C126 WeakPolarHBondContact CA-O 3.49Å; D37-C126 PolarHBondContact N-O 2.87Å; D37-C126 PolarHBondContact O-N 3.02Å; C126-F128 PolarHBondContact O-N 3.3Å |
| 127 | C | 97.7 | Very high | 95.1 | Very high | 57 Ų | 57 | 40.9 Ų | 40.9 | 39% | 0.385 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 121.5 | 171.9 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | Y35 F36 | Y35-C127 CarbonylContact O-C 3.19Å; Y35-C127 VanDerWaalsContact O-CA 3.29Å; Y35-C127 WeakPolarHBondContact O-CA 3.44Å; F36-C127 HydrophobicContact CD1-CB 4.1Å; F36-C127 HydrophobicContact CE1-CB 3.79Å; F36-C127 HydrophobicContact CZ-CB 4.34Å |
| 128 | F | 98.1 | Very high | 95.6 | Very high | 18 Ų | 18 | 38.9 Ų | 38.9 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | -21.6 | 179.7 | 76.7 | -96.1 | 0 | 0 | 0 | 112.9 | Y35 D37 T44 C126 M198 L202 R206 | Y35-F128 WeakPolarHBondContact O-CD1 3.36Å; Y35-F128 PolarHBondContact O-N 3.49Å; D37-F128 HydrophobicContact CB-CD1 3.74Å; D37-F128 HydrophobicContact CB-CE1 3.86Å; T44-F128 HydrophobicContact CG2-CE1 4.2Å; T44-F128 HydrophobicContact CG2-CZ 3.94Å; C126-F128 PolarHBondContact O-N 3.3Å; F128-M198 HydrophobicContact CE2-CE 4.19Å; F128-M198 HydrophobicContact CE2-SD 3.87Å; F128-M198 HydrophobicContact CZ-CE 4.22Å; F128-M198 HydrophobicContact CZ-SD 4.32Å; F128-L202 HydrophobicContact CD2-CD2 4.22Å; F128-L202 HydrophobicContact CE2-CD2 3.96Å; F128-R206 VanDerWaalsContact CA-NH1 3.34Å; F128-R206 WeakPolarHBondContact O-CD 3.4Å; F128-R206 PolarHBondContact O-NH1 2.73Å |
| 129 | A | 98.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 2% | 0.017 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 140.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y35 M198 Y201 | Y35-A129 PolarHBondContact N-O 2.81Å; A129-M198 HydrophobicContact CB-CE 3.85Å; A129-M198 HydrophobicContact CB-SD 4.07Å; A129-Y201 HydrophobicContact CB-CD1 3.72Å; A129-Y201 HydrophobicContact CB-CE1 3.36Å |
| 130 | E | 98 | Very high | 96.1 | Very high | 91 Ų | 91 | 40.3 Ų | 40.3 | 43% | 0.425 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 139.4 | 171.3 | 69.1 | -172.5 | 163.2 | 0 | 0 | 110.4 | H32 D33 K34 Y201 | H32-E130 IonicContact CE1-OE2 2.71Å; H32-E130 IonicContact NE2-OE2 3.61Å; H32-E130 PolarHBondContact NE2-OE2 3.32Å; D33-E130 WeakPolarHBondContact O-CA 3.44Å; K34-E130 WeakPolarHBondContact CE-OE2 3.44Å; K34-E130 HydrophobicContact CG-CB 4Å; K34-E130 IonicContact NZ-OE2 2.81Å; K34-E130 PolarHBondContact NZ-OE2 2.89Å; E130-Y201 WeakPolarHBondContact O-CE2 3.49Å |
| 131 | F | 98.1 | Very high | 96 | Very high | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 154.4 | 176.3 | 52 | -97.5 | 0 | 0 | 0 | 111.2 | D33 Y35 D154 F155 K197 M198 Y201 | D33-F131 PolarHBondContact N-O 3.26Å; D33-F131 PolarHBondContact O-N 3.17Å; D33-F131 VanDerWaalsContact O-N 3.08Å; Y35-F131 HydrophobicContact CD2-CE1 4.15Å; Y35-F131 HydrophobicContact CD2-CZ 4.41Å; Y35-F131 AromaticContact CE2-CE1 3.65Å; Y35-F131 HydrophobicContact CE2-CE1 3.65Å; Y35-F131 HydrophobicContact CE2-CE2 4.29Å; Y35-F131 AromaticContact CE2-CZ 3.48Å; Y35-F131 HydrophobicContact CE2-CZ 3.48Å; Y35-F131 VanDerWaalsContact CE2-CZ 3.48Å; F131-D154 WeakPolarHBondContact CB-OD1 3.3Å; F131-F155 HydrophobicContact CB-CD1 3.8Å; F131-F155 HydrophobicContact CB-CE1 3.86Å; F131-F155 AromaticContact CD1-CE1 3.92Å; F131-F155 HydrophobicContact CD1-CE1 3.92Å; F131-F155 AromaticContact CD2-CE1 3.93Å; F131-F155 HydrophobicContact CD2-CE1 3.93Å; F131-F155 HydrophobicContact CE1-CE1 4.43Å; F131-F155 HydrophobicContact CE2-CE1 4.46Å; F131-F155 HydrophobicContact CG-CD1 4.12Å; F131-F155 AromaticContact CG-CE1 3.64Å; F131-F155 HydrophobicContact CG-CE1 3.64Å; F131-K197 HydrophobicContact CE2-CB 4.24Å; F131-K197 HydrophobicContact CE2-CD 4.3Å; F131-K197 HydrophobicContact CZ-CB 4.17Å; F131-M198 HydrophobicContact CE1-CE 3.8Å; F131-M198 HydrophobicContact CZ-CE 4.34Å; F131-Y201 HydrophobicContact CB-CD2 4.45Å; F131-Y201 HydrophobicContact CB-CE2 4.39Å; F131-Y201 AromaticContact CD1-CD2 3.6Å; F131-Y201 HydrophobicContact CD1-CD2 3.6Å; F131-Y201 AromaticContact CD1-CE2 3.96Å; F131-Y201 HydrophobicContact CD1-CE2 3.96Å; F131-Y201 HydrophobicContact CD1-CG 4.13Å; F131-Y201 HydrophobicContact CE1-CD2 4.27Å; F131-Y201 HydrophobicContact CE1-CG 4.37Å; F131-Y201 HydrophobicContact CG-CD2 4.38Å |
| 132 | T | 98.3 | Very high | 95.7 | Very high | 32 Ų | 32 | 42.4 Ų | 42.4 | 20% | 0.196 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 136.4 | 176 | -47.6 | 0 | 0 | 0 | 0 | 109.7 | Q30 F31 H32 A153 D154 | Q30-T132 HydrophobicContact CG-CG2 3.53Å; F31-T132 CarbonylContact O-C 2.9Å; F31-T132 WeakPolarHBondContact O-CA 3.29Å; F31-T132 WeakPolarHBondContact O-CG2 3.17Å; H32-T132 PolarHBondContact ND1-OG1 3.23Å; T132-A153 CarbonylContact O-C 3.46Å; T132-A153 WeakPolarHBondContact O-CA 3.4Å; T132-D154 WeakPolarHBondContact CA-OD2 3.41Å; T132-D154 WeakPolarHBondContact CB-OD2 3.39Å; T132-D154 PolarHBondContact N-OD1 3.32Å; T132-D154 PolarHBondContact N-OD2 3Å; T132-D154 PolarHBondContact O-N 3.46Å; T132-D154 PolarHBondContact OG1-OD2 2.83Å |
| 133 | T | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 131.4 | 172.5 | -58.4 | 0 | 0 | 0 | 0 | 110 | Q30 F31 R135 D151 Q152 K197 | Q30-T133 WeakPolarHBondContact CA-O 3.39Å; F31-T133 HydrophobicContact CE1-CG2 4.46Å; F31-T133 HydrophobicContact CE2-CG2 4.13Å; F31-T133 HydrophobicContact CZ-CG2 3.79Å; F31-T133 PolarHBondContact N-O 3.18Å; F31-T133 PolarHBondContact O-N 2.88Å; T133-R135 HydrophobicContact CG2-CB 4.46Å; T133-D151 HydrophobicContact CG2-CB 3.71Å; T133-D151 VanDerWaalsContact CG2-CG 3.44Å; T133-D151 WeakPolarHBondContact CG2-OD1 3.29Å; T133-Q152 WeakPolarHBondContact CA-O 3.47Å; T133-K197 HydrophobicContact CG2-CD 4.48Å; T133-K197 PolarHBondContact OG1-NZ 3.47Å |
| 134 | T | 98.4 | Very high | 95.3 | Very high | 35 Ų | 35 | 48.2 Ų | 48.2 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 115.3 | 161.1 | -57.6 | 0 | 0 | 0 | 0 | 108 | Q28 Q30 Q152 | Q28-T134 HydrophobicContact CG-CG2 4Å; Q30-T134 PolarHBondContact NE2-OG1 2.86Å; T134-Q152 PolarHBondContact N-O 2.99Å; T134-Q152 PolarHBondContact O-N 3.32Å |
| 135 | R | 98.3 | Very high | 95.1 | Very high | 18 Ų | 18 | 43.1 Ų | 43.1 | 7% | 0.068 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.2 | -178.1 | 178.7 | 168.2 | -77.6 | -158 | -7.3 | 110.1 | Q28 K29 F31 T133 D149 L150 D151 E161 | Q28-R135 CarbonylContact C-O 3.57Å; Q28-R135 VanDerWaalsContact CA-O 3.3Å; Q28-R135 WeakPolarHBondContact CA-O 3.11Å; K29-R135 HydrophobicContact CG-CB 4.15Å; K29-R135 PolarHBondContact N-O 3.27Å; K29-R135 PolarHBondContact O-N 3.49Å; F31-R135 HydrophobicContact CE1-CB 3.69Å; F31-R135 HydrophobicContact CZ-CB 4.2Å; T133-R135 HydrophobicContact CG2-CB 4.46Å; R135-D149 VanDerWaalsContact CD-CG 3.46Å; R135-D149 WeakPolarHBondContact CD-OD2 2.74Å; R135-D149 HydrophobicContact CG-CB 4.11Å; R135-D149 IonicContact CZ-OD2 3.34Å; R135-D149 IonicContact NE-OD2 3.49Å; R135-D149 PolarHBondContact NE-OD2 2.75Å; R135-D149 IonicContact NH1-OD2 2.7Å; R135-D149 PolarHBondContact NH1-OD2 2.71Å; R135-L150 CarbonylContact C-O 3.58Å; R135-L150 WeakPolarHBondContact CA-O 3.43Å; R135-D151 VanDerWaalsContact CB-OD1 3.23Å; R135-D151 WeakPolarHBondContact CB-OD1 3.41Å; R135-D151 VanDerWaalsContact CG-OD1 3.22Å; R135-D151 WeakPolarHBondContact CG-OD1 3.4Å; R135-D151 IonicContact CZ-OD1 3.4Å; R135-D151 IonicContact CZ-OD2 3.53Å; R135-D151 IonicContact NE-OD1 3.9Å; R135-D151 PolarHBondContact NE-OD1 2.82Å; R135-D151 IonicContact NE-OD2 3.82Å; R135-D151 PolarHBondContact NE-OD2 3.09Å; R135-D151 IonicContact NH2-OD1 3.35Å; R135-D151 PolarHBondContact NH2-OD1 3.45Å; R135-D151 IonicContact NH2-OD2 3.46Å; R135-D151 PolarHBondContact NH2-OD2 3.33Å; R135-E161 IonicContact CZ-OE2 3.47Å; R135-E161 IonicContact NH2-OE2 2.7Å; R135-E161 PolarHBondContact NH2-OE2 3.02Å |
| 136 | R | 98.1 | Very high | 95.1 | Very high | 71 Ų | 71 | 43 Ų | 43 | 27% | 0.268 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 124.5 | 166 | -165.4 | 176.7 | -177.1 | -160.9 | -6 | 108.7 | E20 G27 F138 L150 | E20-R136 IonicContact OE1-CZ 3.19Å; E20-R136 IonicContact OE1-NH1 2.77Å; E20-R136 PolarHBondContact OE1-NH1 2.86Å; E20-R136 IonicContact OE1-NH2 2.79Å; E20-R136 PolarHBondContact OE1-NH2 2.88Å; G27-R136 WeakPolarHBondContact O-CA 3.46Å; R136-F138 HydrophobicContact CB-CE2 4.17Å; R136-F138 HydrophobicContact CG-CE2 3.65Å; R136-F138 HydrophobicContact CG-CZ 3.85Å; R136-L150 HydrophobicContact CB-CB 4.49Å; R136-L150 PolarHBondContact N-O 3Å; R136-L150 PolarHBondContact O-N 2.61Å |
| 137 | S | 98.1 | Very high | 95.1 | Very high | 12 Ų | 12 | 42.5 Ų | 42.5 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 142.1 | -172.6 | -64.5 | 0 | 0 | 0 | 0 | 111.4 | V26 G27 I148 D149 | V26-S137 PolarHBondContact N-O 3.38Å; G27-S137 PolarHBondContact N-O 3.16Å; G27-S137 PolarHBondContact O-N 3.41Å; S137-I148 CarbonylContact C-O 3.51Å; S137-I148 WeakPolarHBondContact CA-O 3.48Å; S137-D149 WeakPolarHBondContact CB-OD1 3.3Å; S137-D149 PolarHBondContact OG-OD1 2.61Å |
| 138 | F | 98 | Very high | 95.1 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 0% | 0.004 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 150.5 | 179.6 | -58.8 | -100.8 | 0 | 0 | 0 | 111.5 | L16 I19 E20 D24 C25 R136 K147 I148 L150 | L16-F138 HydrophobicContact CD1-CE2 4.38Å; L16-F138 HydrophobicContact CD1-CZ 3.93Å; I19-F138 HydrophobicContact CG2-CB 3.91Å; I19-F138 HydrophobicContact CG2-CD1 3.71Å; I19-F138 HydrophobicContact CG2-CD2 3.7Å; I19-F138 HydrophobicContact CG2-CE1 4.08Å; I19-F138 HydrophobicContact CG2-CE2 4.08Å; I19-F138 HydrophobicContact CG2-CG 3.51Å; I19-F138 HydrophobicContact CG2-CZ 4.24Å; E20-F138 HydrophobicContact CG-CE1 3.91Å; E20-F138 HydrophobicContact CG-CZ 4.31Å; D24-F138 VanDerWaalsContact O-CA 3.22Å; D24-F138 WeakPolarHBondContact O-CA 3.49Å; C25-F138 HydrophobicContact CB-CD1 3.95Å; C25-F138 HydrophobicContact CB-CE1 3.73Å; R136-F138 HydrophobicContact CB-CE2 4.17Å; R136-F138 HydrophobicContact CG-CE2 3.65Å; R136-F138 HydrophobicContact CG-CZ 3.85Å; F138-K147 WeakPolarHBondContact O-CA 3.33Å; F138-I148 HydrophobicContact CB-CB 4.31Å; F138-I148 PolarHBondContact N-O 3.03Å; F138-I148 PolarHBondContact O-N 2.92Å; F138-L150 HydrophobicContact CE2-CD1 3.93Å; F138-L150 HydrophobicContact CE2-CG 4.26Å |
| 139 | T | 96.8 | Very high | 95.1 | Very high | 62 Ų | 62 | 39 Ų | 39 | 38% | 0.38 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 152.3 | 165.3 | 47.6 | 0 | 0 | 0 | 0 | 109.4 | G23 D24 V26 | G23-T139 CarbonylContact C-O 3.59Å; G23-T139 WeakPolarHBondContact CA-O 3.49Å; D24-T139 PolarHBondContact N-O 3.4Å; D24-T139 PolarHBondContact O-N 3.33Å; V26-T139 HydrophobicContact CG2-CG2 3.75Å |
| 140 | L | 94.6 | Very high | 95.1 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 5% | 0.047 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 139.5 | 178.7 | -66.4 | -177.4 | 0 | 0 | 0 | 112.2 | I22 G142 E143 V146 I148 T182 | I22-L140 HydrophobicContact CD1-CD2 3.69Å; I22-L140 HydrophobicContact CG1-CD2 3.81Å; L140-G142 PolarHBondContact O-N 3.05Å; L140-E143 HydrophobicContact CB-CB 3.94Å; L140-E143 HydrophobicContact CD1-CB 4.28Å; L140-E143 HydrophobicContact CD1-CG 4.29Å; L140-V146 HydrophobicContact CD1-CB 3.74Å; L140-V146 HydrophobicContact CD1-CG1 3.76Å; L140-V146 HydrophobicContact CD1-CG2 4.12Å; L140-V146 HydrophobicContact CG-CB 4.13Å; L140-V146 HydrophobicContact CG-CG1 4.17Å; L140-I148 HydrophobicContact CD2-CD1 3.71Å; L140-I148 HydrophobicContact CG-CD1 4.49Å; L140-T182 HydrophobicContact CD1-CG2 3.77Å; L140-T182 WeakPolarHBondContact CD1-OG1 3.35Å; L140-T182 HydrophobicContact CD2-CG2 4.26Å; L140-T182 HydrophobicContact CG-CG2 4.49Å |
| 141 | K | 90.2 | Very high | 95.1 | Very high | 91 Ų | 91 | 34.9 Ų | 34.9 | 40% | 0.396 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | 121.7 | 172.9 | -69 | 168.8 | -171.2 | 154.1 | 0 | 109.4 | E20 D21 I22 G23 D24 E143 | E20-K141 PolarHBondContact O-NZ 2.91Å; E20-K141 VanDerWaalsContact O-NZ 3.17Å; D21-K141 PolarHBondContact O-NZ 2.8Å; I22-K141 WeakPolarHBondContact O-CB 3.24Å; I22-K141 PolarHBondContact O-N 3.03Å; G23-K141 WeakPolarHBondContact O-CE 3.49Å; G23-K141 PolarHBondContact O-NZ 2.68Å; D24-K141 WeakPolarHBondContact OD1-CE 3.42Å; D24-K141 WeakPolarHBondContact OD2-CG 3.09Å; K141-E143 VanDerWaalsContact C-N 3.26Å; K141-E143 PolarHBondContact O-N 3.08Å |
| 142 | G | 84.3 | Confident | 95.1 | Very high | 93 Ų | 93 | 39.3 Ų | 39.3 | 96% | 0.959 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 12.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | L140 | L140-G142 PolarHBondContact O-N 3.05Š|
| 143 | E | 84.9 | Confident | 95.1 | Very high | 37 Ų | 37 | 38 Ų | 38 | 17% | 0.173 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 109.7 | 176.7 | -176.5 | 168.3 | -172.2 | 0 | 0 | 110.5 | L140 K141 V146 H181 R185 | L140-E143 HydrophobicContact CB-CB 3.94Å; L140-E143 HydrophobicContact CD1-CB 4.28Å; L140-E143 HydrophobicContact CD1-CG 4.29Å; K141-E143 VanDerWaalsContact C-N 3.26Å; K141-E143 PolarHBondContact O-N 3.08Å; E143-V146 HydrophobicContact CG-CG2 4.26Å; E143-H181 IonicContact OE2-ND1 2.69Å; E143-R185 IonicContact OE2-NH1 3.5Å; E143-R185 PolarHBondContact OE2-NH1 3.26Å |
| 144 | D | 86.3 | Confident | 95.1 | Very high | 145 Ų | 145 | 42.8 Ų | 42.8 | 78% | 0.775 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 145.7 | -177.4 | -68.7 | -37.3 | 0 | 0 | 0 | 113 | K178 | D144-K178 PolarHBondContact O-NZ 2.95Å |
| 145 | G | 90 | Very high | 95.1 | Very high | 52 Ų | 52 | 41.9 Ų | 41.9 | 54% | 0.536 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 85.4 | 6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 146 | V | 95.8 | Very high | 95 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 127 | 169.4 | -174.7 | 0 | 0 | 0 | 0 | 109.6 | L140 E143 I162 V164 K178 T182 | L140-V146 HydrophobicContact CD1-CB 3.74Å; L140-V146 HydrophobicContact CD1-CG1 3.76Å; L140-V146 HydrophobicContact CD1-CG2 4.12Å; L140-V146 HydrophobicContact CG-CB 4.13Å; L140-V146 HydrophobicContact CG-CG1 4.17Å; E143-V146 HydrophobicContact CG-CG2 4.26Å; V146-I162 HydrophobicContact CG1-CG2 3.67Å; V146-V164 HydrophobicContact CG2-CG2 4.02Å; V146-K178 HydrophobicContact CG2-CB 3.94Å; V146-K178 HydrophobicContact CG2-CD 4.13Å; V146-K178 HydrophobicContact CG2-CG 4.49Å; V146-T182 HydrophobicContact CG1-CG2 4.2Å |
| 147 | K | 97.1 | Very high | 95 | Very high | 63 Ų | 63 | 42 Ų | 42 | 27% | 0.274 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 138.2 | 174.6 | 173.1 | 157.9 | 156.6 | -84.1 | 0 | 109.5 | F138 D149 E163 | F138-K147 WeakPolarHBondContact O-CA 3.33Å; K147-D149 VanDerWaalsContact CE-OD1 3.22Å; K147-D149 WeakPolarHBondContact CE-OD1 3.26Å; K147-D149 VanDerWaalsContact CE-OD2 3.28Å; K147-D149 WeakPolarHBondContact CE-OD2 3.2Å; K147-D149 IonicContact NZ-OD1 3.04Å; K147-D149 IonicContact NZ-OD2 2.72Å; K147-D149 PolarHBondContact NZ-OD2 3.2Å; K147-E163 HydrophobicContact CB-CB 4.42Å; K147-E163 PolarHBondContact N-O 3.43Å; K147-E163 IonicContact NZ-OE2 2.71Å; K147-E163 PolarHBondContact NZ-OE2 3.02Å; K147-E163 PolarHBondContact O-N 2.86Å |
| 148 | I | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 120.1 | 174.7 | -58.9 | 166.1 | 0 | 0 | 0 | 108.3 | F9 I19 S137 F138 L140 L150 E161 T182 L186 | F9-I148 HydrophobicContact CE1-CG2 4.32Å; F9-I148 HydrophobicContact CZ-CG2 3.91Å; I19-I148 HydrophobicContact CD1-CG2 3.87Å; I19-I148 HydrophobicContact CG1-CD1 4.43Å; I19-I148 HydrophobicContact CG1-CG2 4.41Å; I19-I148 HydrophobicContact CG2-CD1 4.35Å; I19-I148 HydrophobicContact CG2-CG2 4.48Å; S137-I148 CarbonylContact C-O 3.51Å; S137-I148 WeakPolarHBondContact CA-O 3.48Å; F138-I148 HydrophobicContact CB-CB 4.31Å; F138-I148 PolarHBondContact N-O 3.03Å; F138-I148 PolarHBondContact O-N 2.92Å; L140-I148 HydrophobicContact CD2-CD1 3.71Å; L140-I148 HydrophobicContact CG-CD1 4.49Å; I148-L150 HydrophobicContact CG2-CD2 4.33Å; I148-E161 CarbonylContact C-O 3.59Å; I148-E161 VanDerWaalsContact CA-O 3.28Å; I148-E161 WeakPolarHBondContact CA-O 3.49Å; I148-T182 HydrophobicContact CD1-CG2 3.99Å; I148-T182 HydrophobicContact CG1-CG2 4.48Å; I148-L186 HydrophobicContact CD1-CD1 4.02Å |
| 149 | D | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 123.2 | 177.2 | -77.3 | -21.4 | 0 | 0 | 0 | 110.2 | R135 S137 K147 G160 E161 | R135-D149 VanDerWaalsContact CD-CG 3.46Å; R135-D149 WeakPolarHBondContact CD-OD2 2.74Å; R135-D149 HydrophobicContact CG-CB 4.11Å; R135-D149 IonicContact CZ-OD2 3.34Å; R135-D149 IonicContact NE-OD2 3.49Å; R135-D149 PolarHBondContact NE-OD2 2.75Å; R135-D149 IonicContact NH1-OD2 2.7Å; R135-D149 PolarHBondContact NH1-OD2 2.71Å; S137-D149 WeakPolarHBondContact CB-OD1 3.3Å; S137-D149 PolarHBondContact OG-OD1 2.61Å; K147-D149 VanDerWaalsContact CE-OD1 3.22Å; K147-D149 WeakPolarHBondContact CE-OD1 3.26Å; K147-D149 VanDerWaalsContact CE-OD2 3.28Å; K147-D149 WeakPolarHBondContact CE-OD2 3.2Å; K147-D149 IonicContact NZ-OD1 3.04Å; K147-D149 IonicContact NZ-OD2 2.72Å; K147-D149 PolarHBondContact NZ-OD2 3.2Å; D149-G160 CarbonylContact O-C 3.55Å; D149-G160 VanDerWaalsContact O-CA 3.24Å; D149-G160 WeakPolarHBondContact O-CA 3.48Å; D149-E161 HydrophobicContact CB-CB 4.43Å; D149-E161 PolarHBondContact N-O 2.61Å; D149-E161 PolarHBondContact O-N 3.33Å |
| 150 | L | 98.3 | Very high | 95 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 111.7 | 172.7 | -59.8 | -174.8 | 0 | 0 | 0 | 109.2 | F9 F11 L16 I19 R135 R136 F138 I148 | F9-L150 HydrophobicContact CE2-CD2 4.06Å; F9-L150 HydrophobicContact CZ-CD2 3.85Å; F11-L150 HydrophobicContact CB-CD2 4.24Å; F11-L150 HydrophobicContact CD1-CD2 3.79Å; F11-L150 HydrophobicContact CD2-CD1 4.2Å; F11-L150 HydrophobicContact CD2-CD2 4.17Å; F11-L150 HydrophobicContact CE1-CB 4.09Å; F11-L150 HydrophobicContact CE1-CD2 4.11Å; F11-L150 HydrophobicContact CE2-CB 4.2Å; F11-L150 HydrophobicContact CE2-CD1 4.24Å; F11-L150 HydrophobicContact CE2-CD2 4.48Å; F11-L150 HydrophobicContact CG-CD2 3.81Å; F11-L150 HydrophobicContact CZ-CB 3.87Å; F11-L150 HydrophobicContact CZ-CD2 4.45Å; L16-L150 HydrophobicContact CD1-CD1 3.57Å; I19-L150 HydrophobicContact CD1-CD1 3.95Å; I19-L150 HydrophobicContact CD1-CD2 3.72Å; I19-L150 HydrophobicContact CD1-CG 4.17Å; R135-L150 CarbonylContact C-O 3.58Å; R135-L150 WeakPolarHBondContact CA-O 3.43Å; R136-L150 HydrophobicContact CB-CB 4.49Å; R136-L150 PolarHBondContact N-O 3Å; R136-L150 PolarHBondContact O-N 2.61Å; F138-L150 HydrophobicContact CE2-CD1 3.93Å; F138-L150 HydrophobicContact CE2-CG 4.26Å; I148-L150 HydrophobicContact CG2-CD2 4.33Å |
| 151 | D | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 135.4 | -177.1 | -79.5 | -7.7 | 0 | 0 | 0 | 112.5 | T133 R135 H158 V159 K197 | T133-D151 HydrophobicContact CG2-CB 3.71Å; T133-D151 VanDerWaalsContact CG2-CG 3.44Å; T133-D151 WeakPolarHBondContact CG2-OD1 3.29Å; R135-D151 VanDerWaalsContact CB-OD1 3.23Å; R135-D151 WeakPolarHBondContact CB-OD1 3.41Å; R135-D151 VanDerWaalsContact CG-OD1 3.22Å; R135-D151 WeakPolarHBondContact CG-OD1 3.4Å; R135-D151 IonicContact CZ-OD1 3.4Å; R135-D151 IonicContact CZ-OD2 3.53Å; R135-D151 IonicContact NE-OD1 3.9Å; R135-D151 PolarHBondContact NE-OD1 2.82Å; R135-D151 IonicContact NE-OD2 3.82Å; R135-D151 PolarHBondContact NE-OD2 3.09Å; R135-D151 IonicContact NH2-OD1 3.35Å; R135-D151 PolarHBondContact NH2-OD1 3.45Å; R135-D151 IonicContact NH2-OD2 3.46Å; R135-D151 PolarHBondContact NH2-OD2 3.33Å; D151-H158 VanDerWaalsContact O-CA 3.24Å; D151-H158 WeakPolarHBondContact O-CA 3.22Å; D151-V159 HydrophobicContact CB-CG1 4.16Å; D151-V159 WeakPolarHBondContact CB-O 3.33Å; D151-V159 PolarHBondContact N-O 3.07Å; D151-V159 PolarHBondContact O-N 3.22Å; D151-K197 HydrophobicContact CB-CD 4.08Å; D151-K197 WeakPolarHBondContact OD2-CE 3.35Å; D151-K197 IonicContact OD2-NZ 3.94Å; D151-K197 PolarHBondContact OD2-NZ 2.83Å |
| 152 | Q | 98.2 | Very high | 95.5 | Very high | 94 Ų | 94 | 38.2 Ų | 38.2 | 44% | 0.439 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 111.3 | 167.9 | -58.7 | 178.3 | 14.4 | 0 | 0 | 108.9 | F11 T133 T134 | F11-Q152 HydrophobicContact CZ-CG 4.25Å; T133-Q152 WeakPolarHBondContact CA-O 3.47Å; T134-Q152 PolarHBondContact N-O 2.99Å; T134-Q152 PolarHBondContact O-N 3.32Å |
| 153 | A | 97.9 | Very high | 96 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 5% | 0.05 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 146 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | T132 F155 G156 Y157 K197 | T132-A153 CarbonylContact O-C 3.46Å; T132-A153 WeakPolarHBondContact O-CA 3.4Å; A153-F155 HydrophobicContact CB-CD1 3.6Å; A153-F155 HydrophobicContact CB-CE1 3.28Å; A153-F155 HydrophobicContact CB-CE2 4.27Å; A153-F155 HydrophobicContact CB-CG 4.22Å; A153-F155 HydrophobicContact CB-CZ 3.65Å; A153-F155 PolarHBondContact O-N 3.29Å; A153-F155 VanDerWaalsContact O-N 3.12Å; A153-G156 PolarHBondContact O-N 3.01Å; A153-Y157 PolarHBondContact N-O 3.12Å; A153-K197 HydrophobicContact CB-CD 4.32Å |
| 154 | D | 98.1 | Very high | 96.6 | Very high | 99 Ų | 99 | 32.8 Ų | 32.8 | 53% | 0.529 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -14.9 | 179.9 | 59.5 | 4.3 | 0 | 0 | 0 | 114.5 | F131 T132 G156 | F131-D154 WeakPolarHBondContact CB-OD1 3.3Å; T132-D154 WeakPolarHBondContact CA-OD2 3.41Å; T132-D154 WeakPolarHBondContact CB-OD2 3.39Å; T132-D154 PolarHBondContact N-OD1 3.32Å; T132-D154 PolarHBondContact N-OD2 3Å; T132-D154 PolarHBondContact O-N 3.46Å; T132-D154 PolarHBondContact OG1-OD2 2.83Å; D154-G156 VanDerWaalsContact C-N 3.26Å; D154-G156 PolarHBondContact O-N 3.25Å |
| 155 | F | 97.6 | Very high | 96.9 | Very high | 16 Ų | 16 | 30.4 Ų | 30.4 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 12.6 | 168.5 | 62.2 | -91.5 | 0 | 0 | 0 | 113.9 | F131 A153 Y157 K197 V200 Y201 R204 Y205 | F131-F155 HydrophobicContact CB-CD1 3.8Å; F131-F155 HydrophobicContact CB-CE1 3.86Å; F131-F155 AromaticContact CD1-CE1 3.92Å; F131-F155 HydrophobicContact CD1-CE1 3.92Å; F131-F155 AromaticContact CD2-CE1 3.93Å; F131-F155 HydrophobicContact CD2-CE1 3.93Å; F131-F155 HydrophobicContact CE1-CE1 4.43Å; F131-F155 HydrophobicContact CE2-CE1 4.46Å; F131-F155 HydrophobicContact CG-CD1 4.12Å; F131-F155 AromaticContact CG-CE1 3.64Å; F131-F155 HydrophobicContact CG-CE1 3.64Å; A153-F155 HydrophobicContact CB-CD1 3.6Å; A153-F155 HydrophobicContact CB-CE1 3.28Å; A153-F155 HydrophobicContact CB-CE2 4.27Å; A153-F155 HydrophobicContact CB-CG 4.22Å; A153-F155 HydrophobicContact CB-CZ 3.65Å; A153-F155 PolarHBondContact O-N 3.29Å; A153-F155 VanDerWaalsContact O-N 3.12Å; F155-Y157 HydrophobicContact CE2-CG 4.28Å; F155-K197 HydrophobicContact CZ-CB 4.16Å; F155-K197 WeakPolarHBondContact CZ-O 3.37Å; F155-V200 HydrophobicContact CE2-CB 4.35Å; F155-V200 HydrophobicContact CE2-CG1 4.03Å; F155-Y201 AromaticContact CD1-CD2 3.89Å; F155-Y201 HydrophobicContact CD1-CD2 3.89Å; F155-Y201 AromaticContact CE1-CD2 3.86Å; F155-Y201 HydrophobicContact CE1-CD2 3.86Å; F155-Y201 HydrophobicContact CG-CD2 4.41Å; F155-Y201 HydrophobicContact CZ-CD2 4.38Å; F155-R204 PolarHBondContact O-NH1 3.38Å; F155-Y205 HydrophobicContact CB-CE2 3.82Å; F155-Y205 WeakPolarHBondContact CB-OH 3.44Å; F155-Y205 HydrophobicContact CD2-CE2 4.46Å; F155-Y205 HydrophobicContact CG-CE2 4.18Å |
| 156 | G | 96.6 | Very high | 96.9 | Very high | 56 Ų | 56 | 28.8 Ų | 28.8 | 58% | 0.577 | 16% | 0.156 | S | C | * | . | S | Bend | trans | 78.4 | 23.1 | 171 | 0 | 0 | 0 | 0 | 0 | 115.1 | A153 D154 | A153-G156 PolarHBondContact O-N 3.01Å; D154-G156 VanDerWaalsContact C-N 3.26Å; D154-G156 PolarHBondContact O-N 3.25Å |
| 157 | Y | 97.8 | Very high | 96.6 | Very high | 36 Ų | 36 | 33 Ų | 33 | 14% | 0.141 | 18% | 0.183 | C | C | . | . | trans | -104.9 | 131.2 | 171.4 | -174.3 | -114.3 | 0 | 0 | 0 | 110.6 | L10 A153 F155 V159 E195 K197 V200 | L10-Y157 HydrophobicContact CD2-CE2 4.25Å; A153-Y157 PolarHBondContact N-O 3.12Å; F155-Y157 HydrophobicContact CE2-CG 4.28Å; Y157-V159 HydrophobicContact CD1-CB 4.4Å; Y157-V159 HydrophobicContact CD1-CG1 4.43Å; Y157-V159 HydrophobicContact CE1-CB 3.76Å; Y157-V159 HydrophobicContact CE1-CG1 4.08Å; Y157-V159 HydrophobicContact CE1-CG2 4.41Å; Y157-E195 WeakPolarHBondContact CE1-O 3.4Å; Y157-E195 PolarHBondContact OH-O 3.07Å; Y157-K197 HydrophobicContact CD1-CG 4.22Å; Y157-V200 HydrophobicContact CD1-CB 4.19Å; Y157-V200 HydrophobicContact CD1-CG1 4.46Å; Y157-V200 HydrophobicContact CD1-CG2 4.01Å; Y157-V200 HydrophobicContact CD2-CB 4.44Å; Y157-V200 HydrophobicContact CD2-CG1 4.02Å; Y157-V200 HydrophobicContact CD2-CG2 4.05Å; Y157-V200 HydrophobicContact CE1-CB 4.39Å; Y157-V200 HydrophobicContact CE1-CG2 3.73Å; Y157-V200 HydrophobicContact CE2-CG2 3.8Å; Y157-V200 HydrophobicContact CG-CB 4.21Å; Y157-V200 HydrophobicContact CG-CG1 3.97Å; Y157-V200 HydrophobicContact CG-CG2 4.15Å | ||
| 158 | H | 97.4 | Very high | 95.9 | Very high | 83 Ų | 83 | 34.6 Ų | 34.6 | 38% | 0.384 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.4 | -179.7 | -54.4 | 159.3 | 0 | 0 | 0 | 109.7 | F11 D151 | F11-H158 HydrophobicContact CE1-CB 3.9Å; F11-H158 HydrophobicContact CZ-CB 3.96Å; D151-H158 VanDerWaalsContact O-CA 3.24Å; D151-H158 WeakPolarHBondContact O-CA 3.22Å |
| 159 | V | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 138.8 | 179.8 | 65.1 | 0 | 0 | 0 | 0 | 110.7 | K8 F11 D151 Y157 V194 K197 | K8-V159 HydrophobicContact CB-CG2 4.08Å; K8-V159 HydrophobicContact CG-CG2 4.18Å; F11-V159 VanDerWaalsContact CE1-C 3.45Å; F11-V159 WeakPolarHBondContact CE1-O 3.35Å; D151-V159 HydrophobicContact CB-CG1 4.16Å; D151-V159 WeakPolarHBondContact CB-O 3.33Å; D151-V159 PolarHBondContact N-O 3.07Å; D151-V159 PolarHBondContact O-N 3.22Å; Y157-V159 HydrophobicContact CD1-CB 4.4Å; Y157-V159 HydrophobicContact CD1-CG1 4.43Å; Y157-V159 HydrophobicContact CE1-CB 3.76Å; Y157-V159 HydrophobicContact CE1-CG1 4.08Å; Y157-V159 HydrophobicContact CE1-CG2 4.41Å; V159-V194 HydrophobicContact CG2-CG1 4.04Å; V159-K197 HydrophobicContact CG1-CD 4.23Å; V159-K197 HydrophobicContact CG1-CG 3.63Å |
| 160 | G | 97.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 145.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | K8 F9 D149 | K8-G160 CarbonylContact C-O 3.44Å; K8-G160 VanDerWaalsContact CA-O 3.26Å; K8-G160 WeakPolarHBondContact CA-O 3.25Å; F9-G160 VanDerWaalsContact CD1-C 3.46Å; F9-G160 VanDerWaalsContact CD1-O 3.32Å; F9-G160 WeakPolarHBondContact CD1-O 3.49Å; F9-G160 PolarHBondContact N-O 2.91Å; F9-G160 PolarHBondContact O-N 2.91Å; D149-G160 CarbonylContact O-C 3.55Å; D149-G160 VanDerWaalsContact O-CA 3.24Å; D149-G160 WeakPolarHBondContact O-CA 3.48Å |
| 161 | E | 97.9 | Very high | 93.7 | Very high | 13 Ų | 13 | 44.7 Ų | 44.7 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 124.5 | 174.9 | -71.1 | 171.6 | 165.1 | 0 | 0 | 108.5 | R7 K8 R135 I148 D149 | R7-E161 WeakPolarHBondContact O-CA 3.28Å; K8-E161 WeakPolarHBondContact CE-OE1 3.39Å; K8-E161 HydrophobicContact CG-CG 3.87Å; K8-E161 IonicContact NZ-OE1 2.68Å; K8-E161 PolarHBondContact NZ-OE1 3.23Å; R135-E161 IonicContact CZ-OE2 3.47Å; R135-E161 IonicContact NH2-OE2 2.7Å; R135-E161 PolarHBondContact NH2-OE2 3.02Å; I148-E161 CarbonylContact C-O 3.59Å; I148-E161 VanDerWaalsContact CA-O 3.28Å; I148-E161 WeakPolarHBondContact CA-O 3.49Å; D149-E161 HydrophobicContact CB-CB 4.43Å; D149-E161 PolarHBondContact N-O 2.61Å; D149-E161 PolarHBondContact O-N 3.33Å |
| 162 | I | 97.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 116.2 | 163.8 | -50.1 | 174.8 | 0 | 0 | 0 | 106.3 | E6 R7 F9 V146 I179 T182 A183 L186 L188 | E6-I162 CarbonylContact C-O 3.55Å; E6-I162 WeakPolarHBondContact CA-O 3.49Å; R7-I162 PolarHBondContact N-O 3.16Å; R7-I162 PolarHBondContact O-N 3.02Å; F9-I162 HydrophobicContact CD1-CD1 4.42Å; F9-I162 HydrophobicContact CD1-CG1 3.93Å; F9-I162 HydrophobicContact CE1-CD1 4.36Å; F9-I162 HydrophobicContact CE1-CG1 3.57Å; V146-I162 HydrophobicContact CG1-CG2 3.67Å; I162-I179 HydrophobicContact CB-CG2 4.27Å; I162-I179 HydrophobicContact CG2-CB 4.39Å; I162-I179 HydrophobicContact CG2-CG1 4.05Å; I162-I179 HydrophobicContact CG2-CG2 4.3Å; I162-T182 HydrophobicContact CD1-CG2 4.02Å; I162-T182 HydrophobicContact CG2-CG2 3.94Å; I162-A183 HydrophobicContact CD1-CB 3.83Å; I162-L186 HydrophobicContact CD1-CD1 4.32Å; I162-L188 HydrophobicContact CD1-CD1 4.15Å |
| 163 | E | 96.2 | Very high | 92.7 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 5% | 0.051 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 135.5 | -169.5 | -170.7 | -166.6 | 169.4 | 0 | 0 | 110.6 | E4 V5 K147 L165 | E4-E163 HydrophobicContact CG-CG 3.73Å; V5-E163 WeakPolarHBondContact O-CA 3.49Å; K147-E163 HydrophobicContact CB-CB 4.42Å; K147-E163 PolarHBondContact N-O 3.43Å; K147-E163 IonicContact NZ-OE2 2.71Å; K147-E163 PolarHBondContact NZ-OE2 3.02Å; K147-E163 PolarHBondContact O-N 2.86Å; E163-L165 WeakPolarHBondContact OE1-CD2 3.48Å |
| 164 | V | 95.6 | Very high | 92.3 | Very high | 5 Ų | 5 | 51.2 Ų | 51.2 | 3% | 0.03 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 122.9 | 168.9 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | V5 V146 V166 A175 K178 I179 | V5-V164 PolarHBondContact N-O 3.09Å; V5-V164 PolarHBondContact O-N 3.47Å; V146-V164 HydrophobicContact CG2-CG2 4.02Å; V164-V166 HydrophobicContact CG1-CG1 4.04Å; V164-A175 HydrophobicContact CB-CB 3.98Å; V164-A175 HydrophobicContact CG1-CB 3.68Å; V164-K178 HydrophobicContact CG2-CB 4.23Å; V164-I179 HydrophobicContact CB-CD1 4.42Å; V164-I179 HydrophobicContact CG2-CD1 4.18Å; V164-I179 HydrophobicContact CG2-CG1 3.77Å |
| 165 | L | 92.9 | Very high | 92 | Very high | 95 Ų | 95 | 46.6 Ų | 46.6 | 50% | 0.497 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 125.5 | 173.1 | -67.7 | 172.2 | 0 | 0 | 0 | 109.6 | V3 E4 E163 | V3-L165 WeakPolarHBondContact O-CA 3.31Å; E4-L165 HydrophobicContact CB-CD2 4.01Å; E4-L165 HydrophobicContact CG-CD2 4.37Å; E163-L165 WeakPolarHBondContact OE1-CD2 3.48Å |
| 166 | V | 91.3 | Very high | 91.8 | Very high | 18 Ų | 18 | 48.1 Ų | 48.1 | 11% | 0.109 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 151.1 | 174.5 | -60.6 | 0 | 0 | 0 | 0 | 111 | S2 V3 V5 V164 A170 A175 | S2-V166 CarbonylContact C-O 3.56Å; S2-V166 WeakPolarHBondContact CA-O 3.35Å; V3-V166 HydrophobicContact CB-CG2 3.83Å; V3-V166 HydrophobicContact CG1-CG2 4.06Å; V3-V166 PolarHBondContact N-O 3.04Å; V3-V166 PolarHBondContact O-N 3.36Å; V5-V166 HydrophobicContact CG2-CG2 4.39Å; V164-V166 HydrophobicContact CG1-CG1 4.04Å; V166-A170 HydrophobicContact CB-CB 4.15Å; V166-A175 HydrophobicContact CG1-CB 3.75Å |
| 167 | P | 89.5 | Confident | 91.6 | Very high | 90 Ų | 90 | 49.9 Ų | 49.9 | 58% | 0.584 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59 | 148.5 | 169.8 | -22 | 33 | 0 | 0 | 0 | 111.6 | G169 A170 | P167-G169 PolarHBondContact O-N 2.91Å; P167-A170 HydrophobicContact CB-CB 4.2Å; P167-A170 HydrophobicContact CG-CB 4.39Å; P167-A170 WeakPolarHBondContact O-CB 3.41Å; P167-A170 PolarHBondContact O-N 2.73Å |
| 168 | E | 82.6 | Confident | 91.4 | Very high | 97 Ų | 97 | 51.3 Ų | 51.3 | 45% | 0.453 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | 130.8 | 172.2 | -170.3 | 167.3 | -153.2 | 0 | 0 | 110.8 | M1 V3 K83 A170 | M1-E168 PolarHBondContact O-N 2.85Å; V3-E168 HydrophobicContact CG2-CB 4.42Å; K83-E168 IonicContact NZ-OE1 2.83Å; K83-E168 PolarHBondContact NZ-OE1 3.23Å; K83-E168 IonicContact NZ-OE2 2.72Å; K83-E168 PolarHBondContact NZ-OE2 3.04Å; E168-A170 VanDerWaalsContact C-N 3.29Å; E168-A170 PolarHBondContact O-N 2.84Å |
| 169 | G | 80.9 | Confident | 91.2 | Very high | 85 Ų | 85 | 47.4 Ų | 47.4 | 88% | 0.876 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | -1.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | P167 | P167-G169 PolarHBondContact O-N 2.91Š|
| 170 | A | 84.8 | Confident | 91 | Very high | 39 Ų | 39 | 52.1 Ų | 52.1 | 32% | 0.322 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -73 | 169.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V166 P167 E168 I172 | V166-A170 HydrophobicContact CB-CB 4.15Å; P167-A170 HydrophobicContact CB-CB 4.2Å; P167-A170 HydrophobicContact CG-CB 4.39Å; P167-A170 WeakPolarHBondContact O-CB 3.41Å; P167-A170 PolarHBondContact O-N 2.73Å; E168-A170 VanDerWaalsContact C-N 3.29Å; E168-A170 PolarHBondContact O-N 2.84Å; A170-I172 PolarHBondContact O-N 2.84Å; A170-I172 VanDerWaalsContact O-N 3.11Å |
| 171 | D | 81.7 | Confident | 90.8 | Very high | 95 Ų | 95 | 56 Ų | 56 | 51% | 0.508 | 31% | 0.308 | S | S | . | . | trans | -68.4 | 107.1 | 176.8 | 177.8 | 24.4 | 0 | 0 | 0 | 111.8 | Q173 S174 | D171-Q173 VanDerWaalsContact C-N 3.3Å; D171-Q173 VanDerWaalsContact OD1-CB 3.28Å; D171-Q173 WeakPolarHBondContact OD1-CB 3.29Å; D171-Q173 PolarHBondContact OD1-N 2.85Å; D171-S174 WeakPolarHBondContact OD2-CB 3.41Å; D171-S174 PolarHBondContact OD2-N 2.89Å | ||
| 172 | I | 86.6 | Confident | 90.6 | Very high | 37 Ų | 37 | 55.3 Ų | 55.3 | 19% | 0.19 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.7 | -25.8 | 176.9 | -60 | 173 | 0 | 0 | 0 | 111.4 | V5 R81 A170 A175 Q176 | V5-I172 HydrophobicContact CG2-CG2 4.03Å; R81-I172 VanDerWaalsContact CZ-CG2 3.42Å; A170-I172 PolarHBondContact O-N 2.84Å; A170-I172 VanDerWaalsContact O-N 3.11Å; I172-A175 WeakPolarHBondContact O-CB 3.41Å; I172-A175 PolarHBondContact O-N 3.46Å; I172-Q176 HydrophobicContact CG2-CG 4.28Å; I172-Q176 WeakPolarHBondContact O-CG 3.37Å; I172-Q176 PolarHBondContact O-N 3.18Å |
| 173 | Q | 88.1 | Confident | 90.5 | Very high | 141 Ų | 141 | 55.3 Ų | 55.3 | 66% | 0.659 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.8 | -42.5 | -178.7 | -62.5 | -172.5 | -22.3 | 0 | 0 | 111.1 | D171 A175 Q176 E177 | D171-Q173 VanDerWaalsContact C-N 3.3Å; D171-Q173 VanDerWaalsContact OD1-CB 3.28Å; D171-Q173 WeakPolarHBondContact OD1-CB 3.29Å; D171-Q173 PolarHBondContact OD1-N 2.85Å; Q173-A175 VanDerWaalsContact C-N 3.29Å; Q173-A175 PolarHBondContact O-N 3.07Å; Q173-Q176 PolarHBondContact O-N 2.98Å; Q173-Q176 VanDerWaalsContact O-N 3.16Å; Q173-E177 WeakPolarHBondContact O-CB 3.36Å; Q173-E177 PolarHBondContact O-N 2.87Å |
| 174 | S | 90.7 | Very high | 90.3 | Very high | 60 Ų | 60 | 59.8 Ų | 59.8 | 42% | 0.42 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -55.3 | -42.4 | 173.2 | -178.2 | 0 | 0 | 0 | 0 | 112.7 | D171 E177 K178 | D171-S174 WeakPolarHBondContact OD2-CB 3.41Å; D171-S174 PolarHBondContact OD2-N 2.89Å; S174-E177 PolarHBondContact O-N 3.24Å; S174-K178 WeakPolarHBondContact O-CG 3.4Å; S174-K178 PolarHBondContact O-N 3.31Å |
| 175 | A | 92.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 64 Ų | 64 | 2% | 0.017 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | V5 V164 V166 I172 Q173 E177 K178 I179 | V5-A175 HydrophobicContact CB-CB 4.09Å; V5-A175 HydrophobicContact CG1-CB 4.42Å; V5-A175 HydrophobicContact CG2-CB 3.92Å; V164-A175 HydrophobicContact CB-CB 3.98Å; V164-A175 HydrophobicContact CG1-CB 3.68Å; V166-A175 HydrophobicContact CG1-CB 3.75Å; I172-A175 WeakPolarHBondContact O-CB 3.41Å; I172-A175 PolarHBondContact O-N 3.46Å; Q173-A175 VanDerWaalsContact C-N 3.29Å; Q173-A175 PolarHBondContact O-N 3.07Å; A175-E177 VanDerWaalsContact C-N 3.29Å; A175-E177 PolarHBondContact O-N 2.84Å; A175-K178 PolarHBondContact O-N 2.98Å; A175-I179 VanDerWaalsContact O-CG1 3.3Å; A175-I179 WeakPolarHBondContact O-CG1 3.37Å; A175-I179 PolarHBondContact O-N 3.27Å |
| 176 | Q | 92.2 | Very high | 90.1 | Very high | 47 Ų | 47 | 60.1 Ų | 60.1 | 22% | 0.22 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.4 | -37.2 | 176.5 | -69.2 | -177.4 | -61.9 | 0 | 0 | 112.2 | V5 R81 I172 Q173 I179 R180 | V5-Q176 HydrophobicContact CG1-CG 4.03Å; R81-Q176 VanDerWaalsContact NH2-OE1 3.09Å; I172-Q176 HydrophobicContact CG2-CG 4.28Å; I172-Q176 WeakPolarHBondContact O-CG 3.37Å; I172-Q176 PolarHBondContact O-N 3.18Å; Q173-Q176 PolarHBondContact O-N 2.98Å; Q173-Q176 VanDerWaalsContact O-N 3.16Å; Q176-I179 PolarHBondContact O-N 2.96Å; Q176-R180 WeakPolarHBondContact O-CB 3.11Å; Q176-R180 PolarHBondContact O-N 2.88Å |
| 177 | E | 92.1 | Very high | 90.1 | Very high | 94 Ų | 94 | 61.5 Ų | 61.5 | 44% | 0.439 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -68.4 | -43.2 | 179 | -175.9 | 58.8 | -164.3 | 0 | 0 | 111.8 | Q173 S174 A175 I179 R180 H181 | Q173-E177 WeakPolarHBondContact O-CB 3.36Å; Q173-E177 PolarHBondContact O-N 2.87Å; S174-E177 PolarHBondContact O-N 3.24Å; A175-E177 VanDerWaalsContact C-N 3.29Å; A175-E177 PolarHBondContact O-N 2.84Å; E177-I179 VanDerWaalsContact C-N 3.31Å; E177-I179 PolarHBondContact O-N 2.92Å; E177-R180 WeakPolarHBondContact O-CB 3.3Å; E177-R180 PolarHBondContact O-N 2.87Å; E177-R180 IonicContact OE1-CZ 3.43Å; E177-R180 IonicContact OE1-NE 2.86Å; E177-R180 PolarHBondContact OE1-NE 2.83Å; E177-R180 IonicContact OE1-NH2 3.78Å; E177-R180 PolarHBondContact OE1-NH2 3.11Å; E177-R180 IonicContact OE2-CZ 3.46Å; E177-R180 IonicContact OE2-NE 3.19Å; E177-R180 PolarHBondContact OE2-NE 2.89Å; E177-R180 IonicContact OE2-NH2 2.68Å; E177-H181 WeakPolarHBondContact O-CB 3.47Å; E177-H181 PolarHBondContact O-N 3.26Å |
| 178 | K | 93.9 | Very high | 90.2 | Very high | 66 Ų | 66 | 58.3 Ų | 58.3 | 29% | 0.287 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.2 | -44.9 | 171.4 | -73.9 | -176.5 | 177 | -166.8 | 0 | 111.9 | D144 V146 V164 S174 A175 H181 T182 | D144-K178 PolarHBondContact O-NZ 2.95Å; V146-K178 HydrophobicContact CG2-CB 3.94Å; V146-K178 HydrophobicContact CG2-CD 4.13Å; V146-K178 HydrophobicContact CG2-CG 4.49Å; V164-K178 HydrophobicContact CG2-CB 4.23Å; S174-K178 WeakPolarHBondContact O-CG 3.4Å; S174-K178 PolarHBondContact O-N 3.31Å; A175-K178 PolarHBondContact O-N 2.98Å; K178-H181 PolarHBondContact O-N 3.45Å; K178-T182 WeakPolarHBondContact O-CB 3.49Å; K178-T182 PolarHBondContact O-N 3.03Å; K178-T182 PolarHBondContact O-OG1 3.05Å |
| 179 | I | 94.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 177.1 | -70.3 | 166.4 | 0 | 0 | 0 | 110.7 | V5 R7 I162 V164 A175 Q176 E177 T182 A183 | V5-I179 HydrophobicContact CB-CD1 4.08Å; V5-I179 HydrophobicContact CG1-CD1 3.7Å; V5-I179 WeakPolarHBondContact O-CD1 3.4Å; R7-I179 HydrophobicContact CB-CG2 3.38Å; R7-I179 HydrophobicContact CG-CG2 4.36Å; I162-I179 HydrophobicContact CB-CG2 4.27Å; I162-I179 HydrophobicContact CG2-CB 4.39Å; I162-I179 HydrophobicContact CG2-CG1 4.05Å; I162-I179 HydrophobicContact CG2-CG2 4.3Å; V164-I179 HydrophobicContact CB-CD1 4.42Å; V164-I179 HydrophobicContact CG2-CD1 4.18Å; V164-I179 HydrophobicContact CG2-CG1 3.77Å; A175-I179 VanDerWaalsContact O-CG1 3.3Å; A175-I179 WeakPolarHBondContact O-CG1 3.37Å; A175-I179 PolarHBondContact O-N 3.27Å; Q176-I179 PolarHBondContact O-N 2.96Å; E177-I179 VanDerWaalsContact C-N 3.31Å; E177-I179 PolarHBondContact O-N 2.92Å; I179-T182 PolarHBondContact O-N 2.93Å; I179-A183 VanDerWaalsContact O-CB 3.3Å; I179-A183 WeakPolarHBondContact O-CB 2.95Å; I179-A183 PolarHBondContact O-N 2.88Å |
| 180 | R | 92.8 | Very high | 89.9 | Confident | 98 Ų | 98 | 61.4 Ų | 61.4 | 37% | 0.37 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 178.5 | -168.9 | -168.7 | 69.3 | 67 | 3 | 111.3 | Q176 E177 A183 Q184 | Q176-R180 WeakPolarHBondContact O-CB 3.11Å; Q176-R180 PolarHBondContact O-N 2.88Å; E177-R180 WeakPolarHBondContact O-CB 3.3Å; E177-R180 PolarHBondContact O-N 2.87Å; E177-R180 IonicContact OE1-CZ 3.43Å; E177-R180 IonicContact OE1-NE 2.86Å; E177-R180 PolarHBondContact OE1-NE 2.83Å; E177-R180 IonicContact OE1-NH2 3.78Å; E177-R180 PolarHBondContact OE1-NH2 3.11Å; E177-R180 IonicContact OE2-CZ 3.46Å; E177-R180 IonicContact OE2-NE 3.19Å; E177-R180 PolarHBondContact OE2-NE 2.89Å; E177-R180 IonicContact OE2-NH2 2.68Å; R180-A183 PolarHBondContact O-N 2.77Å; R180-Q184 WeakPolarHBondContact O-CG 3.17Å; R180-Q184 PolarHBondContact O-N 3.34Å |
| 181 | H | 92.9 | Very high | 89.6 | Confident | 81 Ų | 81 | 68 Ų | 68 | 38% | 0.375 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 177.8 | 178.9 | -111.9 | 0 | 0 | 0 | 111.8 | E143 E177 K178 A183 Q184 R185 | E143-H181 IonicContact OE2-ND1 2.69Å; E177-H181 WeakPolarHBondContact O-CB 3.47Å; E177-H181 PolarHBondContact O-N 3.26Å; K178-H181 PolarHBondContact O-N 3.45Å; H181-A183 PolarHBondContact O-N 2.87Å; H181-Q184 PolarHBondContact O-N 2.66Å; H181-R185 VanDerWaalsContact CE1-CD 3.45Å; H181-R185 WeakPolarHBondContact CE1-CD 3.21Å; H181-R185 WeakPolarHBondContact O-CG 3.31Å; H181-R185 PolarHBondContact O-N 3.31Å |
| 182 | T | 94.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 176.1 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | L140 V146 I148 I162 K178 I179 Q184 R185 L186 | L140-T182 HydrophobicContact CD1-CG2 3.77Å; L140-T182 WeakPolarHBondContact CD1-OG1 3.35Å; L140-T182 HydrophobicContact CD2-CG2 4.26Å; L140-T182 HydrophobicContact CG-CG2 4.49Å; V146-T182 HydrophobicContact CG1-CG2 4.2Å; I148-T182 HydrophobicContact CD1-CG2 3.99Å; I148-T182 HydrophobicContact CG1-CG2 4.48Å; I162-T182 HydrophobicContact CD1-CG2 4.02Å; I162-T182 HydrophobicContact CG2-CG2 3.94Å; K178-T182 WeakPolarHBondContact O-CB 3.49Å; K178-T182 PolarHBondContact O-N 3.03Å; K178-T182 PolarHBondContact O-OG1 3.05Å; I179-T182 PolarHBondContact O-N 2.93Å; T182-Q184 VanDerWaalsContact C-N 3.3Å; T182-Q184 PolarHBondContact O-N 3.18Å; T182-R185 WeakPolarHBondContact O-CB 3.43Å; T182-R185 PolarHBondContact O-N 3.21Å; T182-L186 HydrophobicContact CG2-CD1 4.2Å; T182-L186 WeakPolarHBondContact O-CG 3.49Å; T182-L186 PolarHBondContact O-N 3.44Å |
| 183 | A | 94.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 78.2 Ų | 78.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I162 I179 R180 H181 L186 G187 L188 | I162-A183 HydrophobicContact CD1-CB 3.83Å; I179-A183 VanDerWaalsContact O-CB 3.3Å; I179-A183 WeakPolarHBondContact O-CB 2.95Å; I179-A183 PolarHBondContact O-N 2.88Å; R180-A183 PolarHBondContact O-N 2.77Å; H181-A183 PolarHBondContact O-N 2.87Å; A183-L186 CarbonylContact O-C 3.56Å; A183-L186 PolarHBondContact O-N 3.24Å; A183-G187 PolarHBondContact O-N 3.28Å; A183-L188 HydrophobicContact CB-CB 4.09Å; A183-L188 HydrophobicContact CB-CD1 4.4Å; A183-L188 WeakPolarHBondContact O-CB 3.43Å; A183-L188 PolarHBondContact O-N 3.18Å |
| 184 | Q | 92.3 | Very high | 89.9 | Confident | 104 Ų | 104 | 72.3 Ų | 72.3 | 49% | 0.486 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 175 | -74.5 | -179 | -29.3 | 0 | 0 | 112.5 | R180 H181 T182 L186 G187 | R180-Q184 WeakPolarHBondContact O-CG 3.17Å; R180-Q184 PolarHBondContact O-N 3.34Å; H181-Q184 PolarHBondContact O-N 2.66Å; T182-Q184 VanDerWaalsContact C-N 3.3Å; T182-Q184 PolarHBondContact O-N 3.18Å; Q184-L186 PolarHBondContact O-N 2.84Å; Q184-G187 PolarHBondContact O-N 3.04Å |
| 185 | R | 92.3 | Very high | 90.1 | Very high | 94 Ų | 94 | 72.7 Ų | 72.7 | 36% | 0.355 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.2 | -32.5 | 175.4 | -71.2 | 172.5 | 63.3 | -173.2 | 5 | 112.5 | I22 E143 H181 T182 G187 | I22-R185 HydrophobicContact CD1-CB 4.18Å; E143-R185 IonicContact OE2-NH1 3.5Å; E143-R185 PolarHBondContact OE2-NH1 3.26Å; H181-R185 VanDerWaalsContact CE1-CD 3.45Å; H181-R185 WeakPolarHBondContact CE1-CD 3.21Å; H181-R185 WeakPolarHBondContact O-CG 3.31Å; H181-R185 PolarHBondContact O-N 3.31Å; T182-R185 WeakPolarHBondContact O-CB 3.43Å; T182-R185 PolarHBondContact O-N 3.21Å; R185-G187 VanDerWaalsContact C-N 3.3Å |
| 186 | L | 92.4 | Very high | 90.3 | Very high | 14 Ų | 14 | 73 Ų | 73 | 7% | 0.073 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 0.4 | 176.2 | -65.5 | 177.4 | 0 | 0 | 0 | 113.7 | A18 I19 I22 I148 I162 T182 A183 Q184 L188 | A18-L186 HydrophobicContact CB-CD2 4.08Å; I19-L186 HydrophobicContact CB-CD2 4.39Å; I19-L186 HydrophobicContact CG1-CD1 4.04Å; I19-L186 HydrophobicContact CG1-CD2 3.54Å; I19-L186 HydrophobicContact CG1-CG 4.45Å; I22-L186 HydrophobicContact CD1-CD2 3.48Å; I22-L186 VanDerWaalsContact CD1-CD2 3.48Å; I22-L186 HydrophobicContact CD1-CG 3.98Å; I22-L186 HydrophobicContact CG1-CD2 4.14Å; I148-L186 HydrophobicContact CD1-CD1 4.02Å; I162-L186 HydrophobicContact CD1-CD1 4.32Å; T182-L186 HydrophobicContact CG2-CD1 4.2Å; T182-L186 WeakPolarHBondContact O-CG 3.49Å; T182-L186 PolarHBondContact O-N 3.44Å; A183-L186 CarbonylContact O-C 3.56Å; A183-L186 PolarHBondContact O-N 3.24Å; Q184-L186 PolarHBondContact O-N 2.84Å; L186-L188 HydrophobicContact CB-CD1 3.91Å; L186-L188 HydrophobicContact CB-CG 3.8Å; L186-L188 HydrophobicContact CD1-CD1 4.01Å; L186-L188 PolarHBondContact O-N 2.56Å |
| 187 | G | 91.5 | Very high | 90.5 | Very high | 46 Ų | 46 | 71.4 Ų | 71.4 | 47% | 0.474 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 16 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A183 Q184 R185 N189 | A183-G187 PolarHBondContact O-N 3.28Å; Q184-G187 PolarHBondContact O-N 3.04Å; R185-G187 VanDerWaalsContact C-N 3.3Å; G187-N189 VanDerWaalsContact C-N 3.27Å; G187-N189 PolarHBondContact O-N 2.79Å; G187-N189 PolarHBondContact O-ND2 2.91Å |
| 188 | L | 90.6 | Very high | 90.8 | Very high | 24 Ų | 24 | 67.8 Ų | 67.8 | 13% | 0.126 | 31% | 0.314 | C | S | . | . | trans | -80.5 | 73.7 | -178.5 | -57.3 | 173.9 | 0 | 0 | 0 | 110.7 | R7 F9 T15 I162 A183 L186 E190 | R7-L188 PolarHBondContact NH2-O 3.49Å; F9-L188 HydrophobicContact CB-CD1 3.74Å; F9-L188 HydrophobicContact CB-CD2 4.11Å; F9-L188 HydrophobicContact CB-CG 4.47Å; F9-L188 HydrophobicContact CD1-CD1 3.86Å; F9-L188 HydrophobicContact CD2-CD1 3.6Å; F9-L188 HydrophobicContact CD2-CD2 3.87Å; F9-L188 HydrophobicContact CD2-CG 4.4Å; F9-L188 HydrophobicContact CE1-CD1 4.35Å; F9-L188 HydrophobicContact CE2-CD1 4.11Å; F9-L188 HydrophobicContact CG-CD1 3.46Å; F9-L188 VanDerWaalsContact CG-CD1 3.46Å; F9-L188 HydrophobicContact CG-CD2 4.24Å; F9-L188 HydrophobicContact CG-CG 4.49Å; F9-L188 HydrophobicContact CZ-CD1 4.46Å; T15-L188 HydrophobicContact CG2-CD2 4.44Å; I162-L188 HydrophobicContact CD1-CD1 4.15Å; A183-L188 HydrophobicContact CB-CB 4.09Å; A183-L188 HydrophobicContact CB-CD1 4.4Å; A183-L188 WeakPolarHBondContact O-CB 3.43Å; A183-L188 PolarHBondContact O-N 3.18Å; L186-L188 HydrophobicContact CB-CD1 3.91Å; L186-L188 HydrophobicContact CB-CG 3.8Å; L186-L188 HydrophobicContact CD1-CD1 4.01Å; L186-L188 PolarHBondContact O-N 2.56Å; L188-E190 VanDerWaalsContact C-N 3.3Å | ||
| 189 | N | 81.5 | Confident | 90.9 | Very high | 125 Ų | 125 | 65.5 Ų | 65.5 | 67% | 0.668 | 31% | 0.305 | S | S | * | . | trans | -83.3 | -4 | -176.8 | -61.7 | -41.3 | 0 | 0 | 0 | 113.7 | G187 E191 | G187-N189 VanDerWaalsContact C-N 3.27Å; G187-N189 PolarHBondContact O-N 2.79Å; G187-N189 PolarHBondContact O-ND2 2.91Å; N189-E191 PolarHBondContact O-N 3.05Å | ||
| 190 | E | 76.9 | Confident | 91.1 | Very high | 122 Ų | 122 | 66.2 Ų | 66.2 | 57% | 0.57 | 31% | 0.31 | S | S | * | . | trans | -67.1 | 122.6 | 179 | -64.2 | -170.8 | 169.4 | 0 | 0 | 111.4 | R7 L188 R192 | R7-E190 PolarHBondContact NH2-O 3.39Å; L188-E190 VanDerWaalsContact C-N 3.3Å; E190-R192 VanDerWaalsContact C-N 3.26Å | ||
| 191 | E | 77.3 | Confident | 91.3 | Very high | 178 Ų | 178 | 63.2 Ų | 63.2 | 83% | 0.832 | 30% | 0.299 | S | S | * | . | trans | -87.9 | 6.6 | 174.8 | -60.3 | -168.9 | 165.3 | 0 | 0 | 113 | L78 N189 | L78-E191 WeakPolarHBondContact CD2-O 3.23Å; N189-E191 PolarHBondContact O-N 3.05Å | ||
| 192 | R | 82.7 | Confident | 91.6 | Very high | 209 Ų | 209 | 59.4 Ų | 59.4 | 79% | 0.789 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -91 | 139.7 | 175.9 | -66.7 | -177.3 | 179.9 | -179.1 | 0.6 | 110.4 | E190 V194 | E190-R192 VanDerWaalsContact C-N 3.26Å; R192-V194 PolarHBondContact O-N 3.34Å |
| 193 | R | 87.5 | Confident | 91.7 | Very high | 137 Ų | 137 | 64.1 Ų | 64.1 | 52% | 0.517 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 128.4 | 172.9 | -169.2 | 172.5 | 175.9 | -155.1 | -6.5 | 109.3 | ||
| 194 | V | 93.2 | Very high | 91.9 | Very high | 16 Ų | 16 | 70.3 Ų | 70.3 | 10% | 0.097 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -86.1 | 133.6 | 175 | 173.5 | 0 | 0 | 0 | 0 | 109.5 | K8 L10 V159 R192 | K8-V194 HydrophobicContact CB-CB 4Å; K8-V194 HydrophobicContact CB-CG1 4.32Å; L10-V194 HydrophobicContact CD2-CG1 3.77Å; L10-V194 HydrophobicContact CG-CG1 3.97Å; L10-V194 HydrophobicContact CG-CG2 4.24Å; V159-V194 HydrophobicContact CG2-CG1 4.04Å; R192-V194 PolarHBondContact O-N 3.34Å |
| 195 | E | 94.3 | Very high | 92.2 | Very high | 68 Ų | 68 | 70.9 Ų | 70.9 | 32% | 0.318 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -63 | 139.3 | 178.4 | -68.5 | -179.3 | 151.8 | 0 | 0 | 110.4 | Y157 T199 V200 K203 | Y157-E195 WeakPolarHBondContact CE1-O 3.4Å; Y157-E195 PolarHBondContact OH-O 3.07Å; E195-T199 HydrophobicContact CB-CG2 4.08Å; E195-T199 HydrophobicContact CG-CG2 3.97Å; E195-V200 HydrophobicContact CB-CG2 3.82Å; E195-K203 IonicContact OE1-NZ 3.16Å; E195-K203 PolarHBondContact OE1-NZ 3.35Å; E195-K203 VanDerWaalsContact OE1-NZ 3.16Å; E195-K203 IonicContact OE2-NZ 3.52Å |
| 196 | G | 95.6 | Very high | 92.5 | Very high | 10 Ų | 10 | 70.6 Ų | 70.6 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 165.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | M198 T199 V200 | G196-M198 VanDerWaalsContact C-N 3.3Å; G196-M198 PolarHBondContact O-N 3.44Å; G196-T199 WeakPolarHBondContact O-CB 3.47Å; G196-T199 PolarHBondContact O-N 3.35Å; G196-T199 VanDerWaalsContact O-N 3.16Å; G196-V200 PolarHBondContact O-N 3.48Å; G196-V200 VanDerWaalsContact O-N 3.12Å |
| 197 | K | 97.4 | Very high | 92.7 | Very high | 12 Ų | 12 | 73.6 Ų | 73.6 | 5% | 0.052 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -52.3 | -46.2 | 178 | -63 | -177.1 | -62.9 | -170.9 | 0 | 112.6 | F131 T133 D151 A153 F155 Y157 V159 V200 Y201 | F131-K197 HydrophobicContact CE2-CB 4.24Å; F131-K197 HydrophobicContact CE2-CD 4.3Å; F131-K197 HydrophobicContact CZ-CB 4.17Å; T133-K197 HydrophobicContact CG2-CD 4.48Å; T133-K197 PolarHBondContact OG1-NZ 3.47Å; D151-K197 HydrophobicContact CB-CD 4.08Å; D151-K197 WeakPolarHBondContact OD2-CE 3.35Å; D151-K197 IonicContact OD2-NZ 3.94Å; D151-K197 PolarHBondContact OD2-NZ 2.83Å; A153-K197 HydrophobicContact CB-CD 4.32Å; F155-K197 HydrophobicContact CZ-CB 4.16Å; F155-K197 WeakPolarHBondContact CZ-O 3.37Å; Y157-K197 HydrophobicContact CD1-CG 4.22Å; V159-K197 HydrophobicContact CG1-CD 4.23Å; V159-K197 HydrophobicContact CG1-CG 3.63Å; K197-V200 PolarHBondContact O-N 3.02Å; K197-Y201 WeakPolarHBondContact O-CB 3.49Å; K197-Y201 PolarHBondContact O-N 3.34Å |
| 198 | M | 97.8 | Very high | 93 | Very high | 18 Ų | 18 | 79.2 Ų | 79.2 | 9% | 0.089 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.8 | -41.9 | -179.2 | -177.3 | 53.5 | 73.3 | 0 | 0 | 112.2 | Y35 W49 F128 A129 F131 G196 V200 Y201 L202 | Y35-M198 HydrophobicContact CD1-CE 3.42Å; Y35-M198 VanDerWaalsContact CD1-CE 3.42Å; Y35-M198 HydrophobicContact CD2-CE 3.21Å; Y35-M198 HydrophobicContact CE1-CE 3.62Å; Y35-M198 HydrophobicContact CE2-CE 3.44Å; Y35-M198 VanDerWaalsContact CE2-CE 3.44Å; Y35-M198 HydrophobicContact CG-CE 3.19Å; W49-M198 HydrophobicContact CE3-CG 4.01Å; W49-M198 HydrophobicContact CH2-CG 4.27Å; W49-M198 HydrophobicContact CZ3-CG 3.52Å; F128-M198 HydrophobicContact CE2-CE 4.19Å; F128-M198 HydrophobicContact CE2-SD 3.87Å; F128-M198 HydrophobicContact CZ-CE 4.22Å; F128-M198 HydrophobicContact CZ-SD 4.32Å; A129-M198 HydrophobicContact CB-CE 3.85Å; A129-M198 HydrophobicContact CB-SD 4.07Å; F131-M198 HydrophobicContact CE1-CE 3.8Å; F131-M198 HydrophobicContact CZ-CE 4.34Å; G196-M198 VanDerWaalsContact C-N 3.3Å; G196-M198 PolarHBondContact O-N 3.44Å; M198-V200 VanDerWaalsContact C-N 3.35Å; M198-V200 PolarHBondContact O-N 3.31Å; M198-Y201 PolarHBondContact O-N 3.44Å; M198-Y201 HydrophobicContact SD-CD1 4.49Å; M198-L202 HydrophobicContact CG-CD1 4.16Å; M198-L202 HydrophobicContact CG-CG 4.33Å; M198-L202 WeakPolarHBondContact O-CB 3.06Å; M198-L202 WeakPolarHBondContact O-CG 3.11Å; M198-L202 PolarHBondContact O-N 2.91Å; M198-L202 HydrophobicContact SD-CD1 4.29Å; M198-L202 HydrophobicContact SD-CD2 4.33Å; M198-L202 HydrophobicContact SD-CG 3.91Å |
| 199 | T | 96.8 | Very high | 93.3 | Very high | 19 Ų | 19 | 78.2 Ų | 78.2 | 12% | 0.117 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.3 | -49.4 | 175.4 | -50.4 | 0 | 0 | 0 | 0 | 111 | E195 G196 L202 K203 Y210 L219 | E195-T199 HydrophobicContact CB-CG2 4.08Å; E195-T199 HydrophobicContact CG-CG2 3.97Å; G196-T199 WeakPolarHBondContact O-CB 3.47Å; G196-T199 PolarHBondContact O-N 3.35Å; G196-T199 VanDerWaalsContact O-N 3.16Å; T199-L202 PolarHBondContact O-N 3.41Å; T199-K203 WeakPolarHBondContact O-CB 3.49Å; T199-K203 PolarHBondContact O-N 2.88Å; T199-Y210 HydrophobicContact CG2-CE2 3.9Å; T199-L219 HydrophobicContact CG2-CB 4.44Å; T199-L219 HydrophobicContact CG2-CD1 4.36Å; T199-L219 HydrophobicContact CG2-CD2 4.35Å |
| 200 | V | 97.9 | Very high | 94.1 | Very high | 15 Ų | 15 | 74 Ų | 74 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66 | -40.1 | 178.6 | 177.8 | 0 | 0 | 0 | 0 | 111.7 | F155 Y157 E195 G196 K197 M198 K203 R204 | F155-V200 HydrophobicContact CE2-CB 4.35Å; F155-V200 HydrophobicContact CE2-CG1 4.03Å; Y157-V200 HydrophobicContact CD1-CB 4.19Å; Y157-V200 HydrophobicContact CD1-CG1 4.46Å; Y157-V200 HydrophobicContact CD1-CG2 4.01Å; Y157-V200 HydrophobicContact CD2-CB 4.44Å; Y157-V200 HydrophobicContact CD2-CG1 4.02Å; Y157-V200 HydrophobicContact CD2-CG2 4.05Å; Y157-V200 HydrophobicContact CE1-CB 4.39Å; Y157-V200 HydrophobicContact CE1-CG2 3.73Å; Y157-V200 HydrophobicContact CE2-CG2 3.8Å; Y157-V200 HydrophobicContact CG-CB 4.21Å; Y157-V200 HydrophobicContact CG-CG1 3.97Å; Y157-V200 HydrophobicContact CG-CG2 4.15Å; E195-V200 HydrophobicContact CB-CG2 3.82Å; G196-V200 PolarHBondContact O-N 3.48Å; G196-V200 VanDerWaalsContact O-N 3.12Å; K197-V200 PolarHBondContact O-N 3.02Å; M198-V200 VanDerWaalsContact C-N 3.35Å; M198-V200 PolarHBondContact O-N 3.31Å; V200-K203 PolarHBondContact O-N 3.26Å; V200-R204 PolarHBondContact O-N 3.18Å; V200-R204 VanDerWaalsContact O-N 3.11Å |
| 201 | Y | 98.5 | Very high | 95 | Very high | 36 Ų | 36 | 70.4 Ų | 70.4 | 14% | 0.141 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.8 | -50.6 | 176.3 | -175.7 | -80.1 | 0 | 0 | 0 | 111.2 | A129 E130 F131 F155 K197 M198 K203 R204 Y205 | A129-Y201 HydrophobicContact CB-CD1 3.72Å; A129-Y201 HydrophobicContact CB-CE1 3.36Å; E130-Y201 WeakPolarHBondContact O-CE2 3.49Å; F131-Y201 HydrophobicContact CB-CD2 4.45Å; F131-Y201 HydrophobicContact CB-CE2 4.39Å; F131-Y201 AromaticContact CD1-CD2 3.6Å; F131-Y201 HydrophobicContact CD1-CD2 3.6Å; F131-Y201 AromaticContact CD1-CE2 3.96Å; F131-Y201 HydrophobicContact CD1-CE2 3.96Å; F131-Y201 HydrophobicContact CD1-CG 4.13Å; F131-Y201 HydrophobicContact CE1-CD2 4.27Å; F131-Y201 HydrophobicContact CE1-CG 4.37Å; F131-Y201 HydrophobicContact CG-CD2 4.38Å; F155-Y201 AromaticContact CD1-CD2 3.89Å; F155-Y201 HydrophobicContact CD1-CD2 3.89Å; F155-Y201 AromaticContact CE1-CD2 3.86Å; F155-Y201 HydrophobicContact CE1-CD2 3.86Å; F155-Y201 HydrophobicContact CG-CD2 4.41Å; F155-Y201 HydrophobicContact CZ-CD2 4.38Å; K197-Y201 WeakPolarHBondContact O-CB 3.49Å; K197-Y201 PolarHBondContact O-N 3.34Å; M198-Y201 PolarHBondContact O-N 3.44Å; M198-Y201 HydrophobicContact SD-CD1 4.49Å; Y201-K203 PolarHBondContact O-N 2.93Å; Y201-R204 PolarHBondContact O-N 3.26Å; Y201-Y205 HydrophobicContact CD1-CD2 4.15Å; Y201-Y205 AromaticContact CD2-CD2 3.6Å; Y201-Y205 HydrophobicContact CD2-CD2 3.6Å; Y201-Y205 AromaticContact CD2-CE2 3.91Å; Y201-Y205 HydrophobicContact CD2-CE2 3.91Å; Y201-Y205 HydrophobicContact CE1-CD2 4.13Å; Y201-Y205 AromaticContact CE2-CD2 3.61Å; Y201-Y205 HydrophobicContact CE2-CD2 3.61Å; Y201-Y205 AromaticContact CE2-CE2 3.99Å; Y201-Y205 HydrophobicContact CE2-CE2 3.99Å; Y201-Y205 AromaticContact CG-CD2 3.88Å; Y201-Y205 HydrophobicContact CG-CD2 3.88Å; Y201-Y205 AromaticContact CZ-CD2 3.88Å; Y201-Y205 WeakPolarHBondContact O-CD2 3.26Å; Y201-Y205 PolarHBondContact O-N 3.14Å |
| 202 | L | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 178.8 | -71 | 176 | 0 | 0 | 0 | 111.3 | F128 M198 T199 R204 Y205 R206 Q209 Y210 L213 L219 | F128-L202 HydrophobicContact CD2-CD2 4.22Å; F128-L202 HydrophobicContact CE2-CD2 3.96Å; M198-L202 HydrophobicContact CG-CD1 4.16Å; M198-L202 HydrophobicContact CG-CG 4.33Å; M198-L202 WeakPolarHBondContact O-CB 3.06Å; M198-L202 WeakPolarHBondContact O-CG 3.11Å; M198-L202 PolarHBondContact O-N 2.91Å; M198-L202 HydrophobicContact SD-CD1 4.29Å; M198-L202 HydrophobicContact SD-CD2 4.33Å; M198-L202 HydrophobicContact SD-CG 3.91Å; T199-L202 PolarHBondContact O-N 3.41Å; L202-R204 PolarHBondContact O-N 3.19Å; L202-Y205 PolarHBondContact O-N 3.26Å; L202-R206 HydrophobicContact CD2-CB 3.89Å; L202-R206 HydrophobicContact CD2-CG 4.44Å; L202-R206 CarbonylContact O-C 3.47Å; L202-R206 VanDerWaalsContact O-CA 3.28Å; L202-R206 WeakPolarHBondContact O-CA 3.35Å; L202-R206 PolarHBondContact O-N 3.48Å; L202-R206 VanDerWaalsContact O-O 3.08Å; L202-Q209 HydrophobicContact CD2-CB 4.39Å; L202-Q209 HydrophobicContact CD2-CG 4.16Å; L202-Y210 HydrophobicContact CB-CD2 4.28Å; L202-L213 HydrophobicContact CD1-CD1 3.73Å; L202-L219 HydrophobicContact CD1-CD1 4.13Å |
| 203 | K | 97.8 | Very high | 96.6 | Very high | 100 Ų | 100 | 55.4 Ų | 55.4 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.3 | -37.2 | 177.6 | -173.8 | 173.2 | -173.5 | 172.1 | 0 | 112.8 | E195 T199 V200 Y201 Y210 | E195-K203 IonicContact OE1-NZ 3.16Å; E195-K203 PolarHBondContact OE1-NZ 3.35Å; E195-K203 VanDerWaalsContact OE1-NZ 3.16Å; E195-K203 IonicContact OE2-NZ 3.52Å; T199-K203 WeakPolarHBondContact O-CB 3.49Å; T199-K203 PolarHBondContact O-N 2.88Å; V200-K203 PolarHBondContact O-N 3.26Å; Y201-K203 PolarHBondContact O-N 2.93Å; K203-Y210 HydrophobicContact CB-CD1 4.39Å; K203-Y210 HydrophobicContact CB-CD2 3.86Å; K203-Y210 HydrophobicContact CB-CE1 4.45Å; K203-Y210 HydrophobicContact CB-CE2 3.93Å; K203-Y210 HydrophobicContact CB-CG 4.1Å; K203-Y210 HydrophobicContact CD-CE1 4.44Å; K203-Y210 HydrophobicContact CD-CE2 4.31Å; K203-Y210 HydrophobicContact CG-CD1 4.41Å; K203-Y210 HydrophobicContact CG-CE1 4.16Å; K203-Y210 HydrophobicContact CG-CE2 4.35Å |
| 204 | R | 98.1 | Very high | 96.9 | Very high | 129 Ų | 129 | 52.7 Ų | 52.7 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -85 | -44 | -178.2 | -171.8 | 177 | -68.2 | 173.6 | 4.8 | 113.5 | F155 V200 Y201 L202 | F155-R204 PolarHBondContact O-NH1 3.38Å; V200-R204 PolarHBondContact O-N 3.18Å; V200-R204 VanDerWaalsContact O-N 3.11Å; Y201-R204 PolarHBondContact O-N 3.26Å; L202-R204 PolarHBondContact O-N 3.19Å |
| 205 | Y | 98.1 | Very high | 96.9 | Very high | 116 Ų | 116 | 56.2 Ų | 56.2 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -112.1 | -16.7 | -166.6 | -57.5 | -63.7 | 0 | 0 | 0 | 114 | F155 Y201 L202 | F155-Y205 HydrophobicContact CB-CE2 3.82Å; F155-Y205 WeakPolarHBondContact CB-OH 3.44Å; F155-Y205 HydrophobicContact CD2-CE2 4.46Å; F155-Y205 HydrophobicContact CG-CE2 4.18Å; Y201-Y205 HydrophobicContact CD1-CD2 4.15Å; Y201-Y205 AromaticContact CD2-CD2 3.6Å; Y201-Y205 HydrophobicContact CD2-CD2 3.6Å; Y201-Y205 AromaticContact CD2-CE2 3.91Å; Y201-Y205 HydrophobicContact CD2-CE2 3.91Å; Y201-Y205 HydrophobicContact CE1-CD2 4.13Å; Y201-Y205 AromaticContact CE2-CD2 3.61Å; Y201-Y205 HydrophobicContact CE2-CD2 3.61Å; Y201-Y205 AromaticContact CE2-CE2 3.99Å; Y201-Y205 HydrophobicContact CE2-CE2 3.99Å; Y201-Y205 AromaticContact CG-CD2 3.88Å; Y201-Y205 HydrophobicContact CG-CD2 3.88Å; Y201-Y205 AromaticContact CZ-CD2 3.88Å; Y201-Y205 WeakPolarHBondContact O-CD2 3.26Å; Y201-Y205 PolarHBondContact O-N 3.14Å; L202-Y205 PolarHBondContact O-N 3.26Å |
| 206 | R | 97.5 | Very high | 96.7 | Very high | 88 Ų | 88 | 55.2 Ų | 55.2 | 33% | 0.332 | 28% | 0.282 | S | S | . | . | trans | -140.2 | 59.7 | 179.7 | -60 | -172.6 | 69.6 | 114.9 | 7.9 | 111.3 | F128 L202 E208 Q209 Y210 | F128-R206 VanDerWaalsContact CA-NH1 3.34Å; F128-R206 WeakPolarHBondContact O-CD 3.4Å; F128-R206 PolarHBondContact O-NH1 2.73Å; L202-R206 HydrophobicContact CD2-CB 3.89Å; L202-R206 HydrophobicContact CD2-CG 4.44Å; L202-R206 CarbonylContact O-C 3.47Å; L202-R206 VanDerWaalsContact O-CA 3.28Å; L202-R206 WeakPolarHBondContact O-CA 3.35Å; L202-R206 PolarHBondContact O-N 3.48Å; L202-R206 VanDerWaalsContact O-O 3.08Å; R206-E208 PolarHBondContact O-N 3.46Å; R206-Q209 HydrophobicContact CB-CB 4.17Å; R206-Q209 PolarHBondContact O-N 3.07Å; R206-Q209 VanDerWaalsContact O-N 3.11Å; R206-Y210 PolarHBondContact O-N 3.16Å | ||
| 207 | P | 97.7 | Very high | 96.4 | Very high | 78 Ų | 78 | 62.5 Ų | 62.5 | 51% | 0.506 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.7 | -30 | -171.1 | 24.1 | -35 | 0 | 0 | 0 | 113.6 | Y210 A211 | P207-Y210 WeakPolarHBondContact O-CB 3.29Å; P207-Y210 PolarHBondContact O-N 3.11Å; P207-A211 WeakPolarHBondContact O-CB 3.5Å; P207-A211 PolarHBondContact O-N 3Å |
| 208 | E | 97.2 | Very high | 96.1 | Very high | 163 Ų | 163 | 62.9 Ų | 62.9 | 76% | 0.762 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -65.2 | -48.9 | 174.7 | -65.5 | 179.8 | -178.8 | 0 | 0 | 111.8 | R206 Y210 A211 I212 | R206-E208 PolarHBondContact O-N 3.46Å; E208-Y210 VanDerWaalsContact C-N 3.33Å; E208-Y210 PolarHBondContact O-N 3.31Å; E208-A211 PolarHBondContact O-N 3.18Å; E208-I212 WeakPolarHBondContact O-CG1 3.46Å; E208-I212 PolarHBondContact O-N 3.33Å |
| 209 | Q | 96.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 64.4 Ų | 64.4 | 1% | 0.014 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.5 | -41 | 175.6 | -175 | 177.5 | -1.9 | 0 | 0 | 110.9 | F41 L202 R206 A211 I212 L213 | F41-Q209 HydrophobicContact CD1-CG 3.86Å; F41-Q209 HydrophobicContact CD2-CG 4.46Å; F41-Q209 HydrophobicContact CE1-CB 4.14Å; F41-Q209 VanDerWaalsContact CE1-CD 3.44Å; F41-Q209 HydrophobicContact CE1-CG 3.69Å; F41-Q209 HydrophobicContact CE2-CB 4.45Å; F41-Q209 HydrophobicContact CE2-CG 4.31Å; F41-Q209 HydrophobicContact CG-CG 4.25Å; F41-Q209 HydrophobicContact CZ-CB 3.97Å; F41-Q209 HydrophobicContact CZ-CG 3.93Å; L202-Q209 HydrophobicContact CD2-CB 4.39Å; L202-Q209 HydrophobicContact CD2-CG 4.16Å; R206-Q209 HydrophobicContact CB-CB 4.17Å; R206-Q209 PolarHBondContact O-N 3.07Å; R206-Q209 VanDerWaalsContact O-N 3.11Å; Q209-A211 PolarHBondContact O-N 3.13Å; Q209-I212 PolarHBondContact O-N 3.15Å; Q209-L213 HydrophobicContact CG-CD1 4.26Å; Q209-L213 HydrophobicContact CG-CG 4.39Å; Q209-L213 WeakPolarHBondContact O-CG 3.39Å; Q209-L213 PolarHBondContact O-N 3.39Å |
| 210 | Y | 97.8 | Very high | 95.5 | Very high | 37 Ų | 37 | 66.7 Ų | 66.7 | 15% | 0.145 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -55.3 | -49.7 | 173.4 | 175.6 | -101.1 | 0 | 0 | 0 | 111.8 | T199 L202 K203 R206 P207 E208 I212 L213 L214 L219 | T199-Y210 HydrophobicContact CG2-CE2 3.9Å; L202-Y210 HydrophobicContact CB-CD2 4.28Å; K203-Y210 HydrophobicContact CB-CD1 4.39Å; K203-Y210 HydrophobicContact CB-CD2 3.86Å; K203-Y210 HydrophobicContact CB-CE1 4.45Å; K203-Y210 HydrophobicContact CB-CE2 3.93Å; K203-Y210 HydrophobicContact CB-CG 4.1Å; K203-Y210 HydrophobicContact CD-CE1 4.44Å; K203-Y210 HydrophobicContact CD-CE2 4.31Å; K203-Y210 HydrophobicContact CG-CD1 4.41Å; K203-Y210 HydrophobicContact CG-CE1 4.16Å; K203-Y210 HydrophobicContact CG-CE2 4.35Å; R206-Y210 PolarHBondContact O-N 3.16Å; P207-Y210 WeakPolarHBondContact O-CB 3.29Å; P207-Y210 PolarHBondContact O-N 3.11Å; E208-Y210 VanDerWaalsContact C-N 3.33Å; E208-Y210 PolarHBondContact O-N 3.31Å; Y210-I212 VanDerWaalsContact C-N 3.33Å; Y210-I212 PolarHBondContact O-N 3.11Å; Y210-L213 PolarHBondContact O-N 3.39Å; Y210-L214 HydrophobicContact CE1-CD2 4.03Å; Y210-L214 VanDerWaalsContact O-CB 3.26Å; Y210-L214 WeakPolarHBondContact O-CB 3.45Å; Y210-L214 PolarHBondContact O-N 3.22Å; Y210-L219 HydrophobicContact CD2-CD1 3.59Å; Y210-L219 HydrophobicContact CE2-CD1 3.96Å |
| 211 | A | 97.6 | Very high | 95.4 | Very high | 47 Ų | 47 | 69.4 Ų | 69.4 | 39% | 0.388 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.9 | -38.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P207 E208 Q209 S215 | P207-A211 WeakPolarHBondContact O-CB 3.5Å; P207-A211 PolarHBondContact O-N 3Å; E208-A211 PolarHBondContact O-N 3.18Å; Q209-A211 PolarHBondContact O-N 3.13Å; A211-S215 WeakPolarHBondContact O-CB 3.44Å; A211-S215 PolarHBondContact O-N 2.99Å; A211-S215 PolarHBondContact O-OG 2.97Å |
| 212 | I | 97.2 | Very high | 95.2 | Very high | 72 Ų | 72 | 71.2 Ų | 71.2 | 37% | 0.369 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.6 | -50.8 | 175.5 | -70.7 | 165.5 | 0 | 0 | 0 | 110.7 | F41 L45 E208 Q209 Y210 L214 S215 A216 | F41-I212 HydrophobicContact CD2-CD1 4.17Å; F41-I212 HydrophobicContact CD2-CG2 4.37Å; F41-I212 HydrophobicContact CE2-CD1 3.69Å; L45-I212 HydrophobicContact CD2-CG2 3.87Å; E208-I212 WeakPolarHBondContact O-CG1 3.46Å; E208-I212 PolarHBondContact O-N 3.33Å; Q209-I212 PolarHBondContact O-N 3.15Å; Y210-I212 VanDerWaalsContact C-N 3.33Å; Y210-I212 PolarHBondContact O-N 3.11Å; I212-L214 PolarHBondContact O-N 3.05Å; I212-S215 PolarHBondContact O-N 3.03Å; I212-A216 WeakPolarHBondContact O-CB 3.41Å; I212-A216 PolarHBondContact O-N 2.83Å |
| 213 | L | 95.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.7 | -35.6 | -178.8 | -63.5 | -176.3 | 0 | 0 | 0 | 112.5 | L45 W49 L202 Q209 Y210 A216 H217 V218 L219 | L45-L213 HydrophobicContact CD2-CD2 3.93Å; L45-L213 HydrophobicContact CG-CD2 4.07Å; W49-L213 HydrophobicContact CH2-CD1 4.08Å; L202-L213 HydrophobicContact CD1-CD1 3.73Å; Q209-L213 HydrophobicContact CG-CD1 4.26Å; Q209-L213 HydrophobicContact CG-CG 4.39Å; Q209-L213 WeakPolarHBondContact O-CG 3.39Å; Q209-L213 PolarHBondContact O-N 3.39Å; Y210-L213 PolarHBondContact O-N 3.39Å; L213-A216 CarbonylContact O-C 3.59Å; L213-A216 PolarHBondContact O-N 3.14Å; L213-H217 PolarHBondContact O-N 3.38Å; L213-V218 HydrophobicContact CB-CB 4.4Å; L213-V218 PolarHBondContact O-N 2.95Å; L213-L219 HydrophobicContact CB-CD1 3.75Å; L213-L219 HydrophobicContact CB-CG 3.82Å; L213-L219 HydrophobicContact CD1-CD1 4.21Å; L213-L219 HydrophobicContact CD1-CG 4.44Å |
| 214 | L | 93.3 | Very high | 94.9 | Very high | 79 Ų | 79 | 73.9 Ų | 73.9 | 41% | 0.414 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64 | -45.4 | 173.8 | -174 | 68 | 0 | 0 | 0 | 111.1 | Y210 I212 A216 H217 | Y210-L214 HydrophobicContact CE1-CD2 4.03Å; Y210-L214 VanDerWaalsContact O-CB 3.26Å; Y210-L214 WeakPolarHBondContact O-CB 3.45Å; Y210-L214 PolarHBondContact O-N 3.22Å; I212-L214 PolarHBondContact O-N 3.05Å; L214-A216 PolarHBondContact O-N 2.84Å; L214-H217 PolarHBondContact O-N 3.23Å |
| 215 | S | 93.8 | Very high | 94.7 | Very high | 91 Ų | 91 | 70.2 Ų | 70.2 | 64% | 0.636 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.8 | -29.5 | 176.8 | -56 | 0 | 0 | 0 | 0 | 112.3 | A211 I212 H217 | A211-S215 WeakPolarHBondContact O-CB 3.44Å; A211-S215 PolarHBondContact O-N 2.99Å; A211-S215 PolarHBondContact O-OG 2.97Å; I212-S215 PolarHBondContact O-N 3.03Å; S215-H217 PolarHBondContact O-CE1 3.18Å; S215-H217 PolarHBondContact O-N 2.95Å; S215-H217 PolarHBondContact O-ND1 3.19Å; S215-H217 VanDerWaalsContact O-ND1 3.09Å |
| 216 | A | 91.1 | Very high | 94.4 | Very high | 46 Ų | 46 | 66.9 Ų | 66.9 | 38% | 0.38 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L45 I212 L213 L214 V218 | L45-A216 HydrophobicContact CD2-CB 3.79Å; I212-A216 WeakPolarHBondContact O-CB 3.41Å; I212-A216 PolarHBondContact O-N 2.83Å; L213-A216 CarbonylContact O-C 3.59Å; L213-A216 PolarHBondContact O-N 3.14Å; L214-A216 PolarHBondContact O-N 2.84Å; A216-V218 HydrophobicContact CB-CG2 4.21Å; A216-V218 PolarHBondContact O-N 3.11Å |
| 217 | H | 89.3 | Confident | 94.2 | Very high | 163 Ų | 163 | 65.3 Ų | 65.3 | 76% | 0.755 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 30.8 | -178.6 | -54.3 | 72.2 | 0 | 0 | 0 | 113.7 | L213 L214 S215 | L213-H217 PolarHBondContact O-N 3.38Å; L214-H217 PolarHBondContact O-N 3.23Å; S215-H217 PolarHBondContact O-CE1 3.18Å; S215-H217 PolarHBondContact O-N 2.95Å; S215-H217 PolarHBondContact O-ND1 3.19Å; S215-H217 VanDerWaalsContact O-ND1 3.09Å |
| 218 | V | 89.6 | Confident | 93.9 | Very high | 20 Ų | 20 | 64.3 Ų | 64.3 | 12% | 0.121 | 35% | 0.354 | C | S | . | . | trans | -85.4 | -39.9 | 172.9 | 175.7 | 0 | 0 | 0 | 0 | 111 | T44 D47 W49 L213 A216 | T44-V218 WeakPolarHBondContact O-CG1 3.44Å; D47-V218 HydrophobicContact CB-CG1 3.98Å; W49-V218 HydrophobicContact CZ2-CG1 3.94Å; L213-V218 HydrophobicContact CB-CB 4.4Å; L213-V218 PolarHBondContact O-N 2.95Å; A216-V218 HydrophobicContact CB-CG2 4.21Å; A216-V218 PolarHBondContact O-N 3.11Å | ||
| 219 | L | 87.6 | Confident | 93.6 | Very high | 50 Ų | 50 | 55.3 Ų | 55.3 | 26% | 0.262 | 32% | 0.317 | S | S | . | . | trans | -95.8 | 0 | -178.7 | -63.9 | -178.9 | 0 | 0 | 0 | 112.4 | W49 T199 L202 Y210 L213 | W49-L219 HydrophobicContact CH2-CD2 3.95Å; W49-L219 HydrophobicContact CZ2-CD2 4.22Å; T199-L219 HydrophobicContact CG2-CB 4.44Å; T199-L219 HydrophobicContact CG2-CD1 4.36Å; T199-L219 HydrophobicContact CG2-CD2 4.35Å; L202-L219 HydrophobicContact CD1-CD1 4.13Å; Y210-L219 HydrophobicContact CD2-CD1 3.59Å; Y210-L219 HydrophobicContact CE2-CD1 3.96Å; L213-L219 HydrophobicContact CB-CD1 3.75Å; L213-L219 HydrophobicContact CB-CG 3.82Å; L213-L219 HydrophobicContact CD1-CD1 4.21Å; L213-L219 HydrophobicContact CD1-CG 4.44Å |
Retrieved 219 of 219 residues in 288.6 ms
(Link to these results)