| 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 | 88.3 | Confident | 97.1 | Very high | 175 Ų | 175 | 31.5 Ų | 31.5 | 86% | 0.862 | 15% | 0.154 | S | C | * | . | 0 | 126.3 | 0 | 178.8 | 179.1 | -80.7 | 0 | 0 | 106 | K3 | M1-K3 HydrophobicContact CG-CG 4.49Š| |||
| 2 | V | 94.1 | Very high | 97 | Very high | 13 Ų | 13 | 30.7 Ų | 30.7 | 8% | 0.079 | 15% | 0.154 | C | C | . | . | trans | -98.2 | 108.3 | -175.2 | 175.8 | 0 | 0 | 0 | 0 | 106.9 | V5 L39 L44 D132 Q133 | V2-V5 HydrophobicContact CG1-CB 4.49Å; V2-L39 HydrophobicContact CB-CD2 4.49Å; V2-L39 HydrophobicContact CG1-CD2 4.21Å; V2-L44 HydrophobicContact CG1-CD1 4.5Å; V2-L44 WeakPolarHBondContact O-CA 3.37Å; V2-D132 HydrophobicContact CG1-CB 4.26Å; V2-Q133 HydrophobicContact CG1-CB 3.79Å; V2-Q133 HydrophobicContact CG2-CB 4.14Å; V2-Q133 VanDerWaalsContact CG2-OE1 3.3Å | ||
| 3 | K | 97.9 | Very high | 96.9 | Very high | 90 Ų | 90 | 36.3 Ų | 36.3 | 39% | 0.391 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -97.5 | -31.9 | 177.9 | -72.1 | -178 | 167.8 | -116.4 | 0 | 111.4 | M1 E45 W46 D132 | M1-K3 HydrophobicContact CG-CG 4.49Å; K3-E45 IonicContact NZ-OE1 3.22Å; K3-E45 PolarHBondContact NZ-OE1 3.1Å; K3-E45 WeakPolarHBondContact O-CA 3.43Å; K3-E45 PolarHBondContact O-N 3.04Å; K3-W46 PolarHBondContact O-N 3.36Å; K3-D132 WeakPolarHBondContact CA-OD2 3.38Å; K3-D132 PolarHBondContact N-OD2 2.87Å |
| 4 | T | 98.6 | Very high | 96.9 | Very high | 27 Ų | 27 | 36.2 Ų | 36.2 | 17% | 0.166 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 122.2 | -179.9 | -56.3 | 0 | 0 | 0 | 0 | 110.3 | W46 L48 H130 D132 Q133 | T4-W46 CarbonylContact C-O 3.58Å; T4-W46 WeakPolarHBondContact CA-O 3.47Å; T4-W46 HydrophobicContact CG2-CB 3.89Å; T4-L48 HydrophobicContact CG2-CD1 3.58Å; T4-L48 HydrophobicContact CG2-CD2 3.94Å; T4-L48 HydrophobicContact CG2-CG 3.54Å; T4-H130 WeakPolarHBondContact CG2-O 3.31Å; T4-D132 PolarHBondContact N-OD2 3.19Å; T4-D132 PolarHBondContact O-N 3.45Å; T4-Q133 PolarHBondContact O-N 3.01Å |
| 5 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 133 | 175.4 | 70.1 | 0 | 0 | 0 | 0 | 110.5 | V2 V7 L39 L44 W46 V47 L48 Q133 L135 | V2-V5 HydrophobicContact CG1-CB 4.49Å; V5-V7 HydrophobicContact CG1-CG2 4.01Å; V5-V7 HydrophobicContact CG2-CG2 4.34Å; V5-L39 HydrophobicContact CB-CD1 4.12Å; V5-L39 HydrophobicContact CG1-CD1 4.07Å; V5-L39 HydrophobicContact CG2-CD1 3.9Å; V5-L44 HydrophobicContact CB-CD1 3.9Å; V5-L44 HydrophobicContact CG1-CD1 3.61Å; V5-L44 HydrophobicContact CG1-CD2 4.02Å; V5-L44 HydrophobicContact CG1-CG 4.47Å; V5-W46 PolarHBondContact N-O 3.16Å; V5-V47 HydrophobicContact CG1-CB 4.44Å; V5-V47 HydrophobicContact CG1-CG2 3.86Å; V5-V47 CarbonylContact O-C 3.54Å; V5-V47 WeakPolarHBondContact O-CA 3.46Å; V5-L48 PolarHBondContact O-N 3.4Å; V5-Q133 CarbonylContact C-O 3.52Å; V5-Q133 WeakPolarHBondContact CA-O 3.49Å; V5-Q133 HydrophobicContact CG2-CB 4.49Å; V5-Q133 WeakPolarHBondContact CG2-O 3.44Å; V5-L135 HydrophobicContact CG2-CB 4.11Å |
| 6 | Y | 98.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 123.4 | 165.9 | 174.7 | -134.9 | 0 | 0 | 0 | 109.2 | T8 L48 Q50 M127 Q133 T134 L135 F149 | Y6-T8 HydrophobicContact CD1-CG2 4.26Å; Y6-T8 HydrophobicContact CE1-CG2 3.57Å; Y6-T8 WeakPolarHBondContact OH-CB 3.49Å; Y6-T8 PolarHBondContact OH-OG1 3.31Å; Y6-L48 HydrophobicContact CD2-CB 4.27Å; Y6-L48 VanDerWaalsContact CD2-O 3.29Å; Y6-L48 WeakPolarHBondContact CD2-O 3.17Å; Y6-Q50 HydrophobicContact CE2-CG 4.21Å; Y6-Q50 PolarHBondContact OH-NE2 3.08Å; Y6-Q50 VanDerWaalsContact OH-NE2 3.16Å; Y6-M127 HydrophobicContact CD1-CB 3.73Å; Y6-M127 HydrophobicContact CD1-CG 4.37Å; Y6-M127 HydrophobicContact CD2-CB 4.01Å; Y6-M127 HydrophobicContact CD2-CE 4.15Å; Y6-M127 HydrophobicContact CD2-CG 3.9Å; Y6-M127 HydrophobicContact CD2-SD 4.1Å; Y6-M127 HydrophobicContact CE1-CB 3.89Å; Y6-M127 HydrophobicContact CE1-CG 4.21Å; Y6-M127 HydrophobicContact CE2-CB 4.21Å; Y6-M127 HydrophobicContact CE2-CE 3.93Å; Y6-M127 HydrophobicContact CE2-CG 3.78Å; Y6-M127 HydrophobicContact CE2-SD 4.3Å; Y6-M127 HydrophobicContact CG-CB 3.81Å; Y6-M127 HydrophobicContact CG-CG 4.22Å; Y6-Q133 PolarHBondContact N-O 2.75Å; Y6-T134 HydrophobicContact CD1-CG2 4.26Å; Y6-T134 CarbonylContact O-C 3.49Å; Y6-T134 VanDerWaalsContact O-CA 3.28Å; Y6-T134 WeakPolarHBondContact O-CA 3.24Å; Y6-L135 PolarHBondContact O-N 2.9Å; Y6-F149 HydrophobicContact CD1-CE1 4.47Å; Y6-F149 HydrophobicContact CD1-CE2 4.04Å; Y6-F149 AromaticContact CD1-CZ 3.68Å; Y6-F149 HydrophobicContact CD1-CZ 3.68Å; Y6-F149 HydrophobicContact CE1-CD2 4.21Å; Y6-F149 HydrophobicContact CE1-CE1 4.12Å; Y6-F149 AromaticContact CE1-CE2 3.53Å; Y6-F149 HydrophobicContact CE1-CE2 3.53Å; Y6-F149 AromaticContact CE1-CZ 3.47Å; Y6-F149 HydrophobicContact CE1-CZ 3.47Å; Y6-F149 VanDerWaalsContact CE1-CZ 3.47Å |
| 7 | V | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125.4 | 178.7 | -172.1 | 0 | 0 | 0 | 0 | 109.4 | V5 V47 L48 I55 T59 L135 | V5-V7 HydrophobicContact CG1-CG2 4.01Å; V5-V7 HydrophobicContact CG2-CG2 4.34Å; V7-V47 HydrophobicContact CG2-CG1 3.83Å; V7-L48 PolarHBondContact N-O 3.47Å; V7-I55 HydrophobicContact CG1-CG2 4.37Å; V7-T59 HydrophobicContact CB-CG2 3.76Å; V7-T59 HydrophobicContact CG1-CG2 3.82Å; V7-T59 VanDerWaalsContact CG1-OG1 3.28Å; V7-T59 WeakPolarHBondContact CG1-OG1 3.41Å; V7-T59 HydrophobicContact CG2-CG2 3.91Å; V7-L135 WeakPolarHBondContact CA-O 3.27Å; V7-L135 HydrophobicContact CG1-CB 4.37Å; V7-L135 HydrophobicContact CG1-CD2 4.07Å; V7-L135 HydrophobicContact CG1-CG 4.28Å; V7-L135 HydrophobicContact CG2-CB 4.21Å; V7-L135 HydrophobicContact CG2-CD2 4.3Å |
| 8 | T | 98.7 | Very high | 96.3 | Very high | 7 Ų | 7 | 45.8 Ų | 45.8 | 4% | 0.043 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 177.2 | 178.4 | -166.1 | 0 | 0 | 0 | 0 | 111.7 | Y6 E56 L135 L136 I137 F149 | Y6-T8 HydrophobicContact CD1-CG2 4.26Å; Y6-T8 HydrophobicContact CE1-CG2 3.57Å; Y6-T8 WeakPolarHBondContact OH-CB 3.49Å; Y6-T8 PolarHBondContact OH-OG1 3.31Å; T8-E56 PolarHBondContact OG1-OE1 3.04Å; T8-E56 VanDerWaalsContact OG1-OE1 3.06Å; T8-L135 PolarHBondContact N-O 3.06Å; T8-L136 HydrophobicContact CG2-CD1 3.85Å; T8-L136 WeakPolarHBondContact O-CA 3.28Å; T8-I137 PolarHBondContact O-N 3.39Å; T8-F149 HydrophobicContact CG2-CD1 3.66Å; T8-F149 HydrophobicContact CG2-CE1 3.57Å; T8-F149 HydrophobicContact CG2-CG 4.37Å; T8-F149 HydrophobicContact CG2-CZ 4.23Å |
| 9 | G | 98.2 | Very high | 96.1 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.9 | -153.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I137 P146 | G9-I137 WeakPolarHBondContact CA-O 3.3Å; G9-P146 VanDerWaalsContact C-CG 3.41Å |
| 10 | Y | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -55.7 | 145 | -176.9 | -65.8 | -80 | 0 | 0 | 0 | 114.2 | E14 L15 I55 I137 Y138 D139 Q142 A144 P146 F169 | Y10-E14 HydrophobicContact CD1-CB 4.01Å; Y10-L15 HydrophobicContact CD1-CD2 4.24Å; Y10-L15 HydrophobicContact CD2-CD2 3.68Å; Y10-L15 HydrophobicContact CD2-CG 4.39Å; Y10-L15 HydrophobicContact CE2-CD2 4.24Å; Y10-L15 HydrophobicContact CG-CD2 3.66Å; Y10-L15 HydrophobicContact CG-CG 4.02Å; Y10-I55 WeakPolarHBondContact O-CG1 3.43Å; Y10-I55 PolarHBondContact O-N 3.34Å; Y10-I55 VanDerWaalsContact O-N 3.07Å; Y10-I137 VanDerWaalsContact CD2-O 3.32Å; Y10-I137 WeakPolarHBondContact CD2-O 3.13Å; Y10-I137 PolarHBondContact N-O 3.16Å; Y10-Y138 HydrophobicContact CE1-CD2 4.09Å; Y10-Y138 HydrophobicContact CE1-CE2 4.34Å; Y10-Y138 VanDerWaalsContact CE2-CA 3.49Å; Y10-Y138 HydrophobicContact CE2-CD2 4.24Å; Y10-Y138 AromaticContact CZ-CD2 3.74Å; Y10-D139 WeakPolarHBondContact OH-CA 3.5Å; Y10-D139 WeakPolarHBondContact OH-CB 3.28Å; Y10-D139 PolarHBondContact OH-N 3.43Å; Y10-D139 PolarHBondContact OH-O 3.28Å; Y10-Q142 VanDerWaalsContact CE1-O 3.29Å; Y10-Q142 WeakPolarHBondContact CE1-O 3.4Å; Y10-Q142 PolarHBondContact OH-O 3.43Å; Y10-A144 HydrophobicContact CD1-CB 3.77Å; Y10-A144 HydrophobicContact CE1-CB 3.59Å; Y10-P146 HydrophobicContact CD1-CG 4.07Å; Y10-P146 HydrophobicContact CG-CG 4.27Å; Y10-F169 HydrophobicContact CD2-CE1 4.21Å; Y10-F169 HydrophobicContact CD2-CZ 4.06Å; Y10-F169 AromaticContact CE2-CE1 3.76Å; Y10-F169 HydrophobicContact CE2-CE1 3.76Å; Y10-F169 HydrophobicContact CE2-CE2 4.33Å; Y10-F169 AromaticContact CE2-CZ 3.41Å; Y10-F169 HydrophobicContact CE2-CZ 3.41Å; Y10-F169 VanDerWaalsContact CE2-CZ 3.41Å; Y10-F169 AromaticContact CZ-CZ 3.78Å | ||
| 11 | K | 97.3 | Very high | 95.6 | Very high | 32 Ų | 32 | 55.1 Ų | 55.1 | 14% | 0.139 | 27% | 0.269 | C | S | . | . | trans | -76 | 150.4 | 162.9 | -48.4 | -51 | 176.3 | -146.9 | 0 | 109.5 | F13 E14 L15 Q52 M53 E56 | K11-F13 VanDerWaalsContact C-N 3.26Å; K11-F13 HydrophobicContact CB-CD1 3.92Å; K11-F13 HydrophobicContact CB-CE1 3.43Å; K11-F13 VanDerWaalsContact CB-CE1 3.43Å; K11-F13 HydrophobicContact CB-CE2 4.34Å; K11-F13 HydrophobicContact CB-CZ 3.67Å; K11-F13 HydrophobicContact CG-CE1 4.05Å; K11-F13 HydrophobicContact CG-CZ 4Å; K11-F13 PolarHBondContact O-N 3Å; K11-E14 HydrophobicContact CB-CG 4.1Å; K11-E14 PolarHBondContact N-OE2 3.46Å; K11-E14 WeakPolarHBondContact O-CA 3.35Å; K11-E14 WeakPolarHBondContact O-CB 3.38Å; K11-E14 PolarHBondContact O-N 2.68Å; K11-L15 PolarHBondContact O-N 3.27Å; K11-Q52 HydrophobicContact CD-CB 3.82Å; K11-Q52 VanDerWaalsContact CE-CB 3.47Å; K11-M53 VanDerWaalsContact CA-O 3.31Å; K11-M53 WeakPolarHBondContact CA-O 3.4Å; K11-M53 WeakPolarHBondContact CD-O 3.38Å; K11-E56 IonicContact NZ-OE1 2.95Å; K11-E56 PolarHBondContact NZ-OE1 2.98Å | ||
| 12 | S | 96.4 | Very high | 95.8 | Very high | 22 Ų | 22 | 47.7 Ų | 47.7 | 15% | 0.154 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -55.4 | -40.4 | -174.1 | 56.7 | 0 | 0 | 0 | 0 | 113.2 | E14 L15 N16 I17 | S12-E14 VanDerWaalsContact C-N 3.31Å; S12-E14 PolarHBondContact O-N 2.81Å; S12-L15 PolarHBondContact O-N 3.26Å; S12-N16 PolarHBondContact O-N 3.14Å; S12-I17 CarbonylContact C-O 3.56Å; S12-I17 WeakPolarHBondContact CB-O 3.44Å; S12-I17 PolarHBondContact O-N 2.83Å |
| 13 | F | 95.1 | Very high | 95.8 | Very high | 104 Ų | 104 | 51 Ų | 51 | 46% | 0.456 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -69.7 | -23.2 | 176.9 | 62.2 | -96.4 | 0 | 0 | 0 | 113.9 | K11 L15 N16 F18 M53 | K11-F13 VanDerWaalsContact C-N 3.26Å; K11-F13 HydrophobicContact CB-CD1 3.92Å; K11-F13 HydrophobicContact CB-CE1 3.43Å; K11-F13 VanDerWaalsContact CB-CE1 3.43Å; K11-F13 HydrophobicContact CB-CE2 4.34Å; K11-F13 HydrophobicContact CB-CZ 3.67Å; K11-F13 HydrophobicContact CG-CE1 4.05Å; K11-F13 HydrophobicContact CG-CZ 4Å; K11-F13 PolarHBondContact O-N 3Å; F13-L15 VanDerWaalsContact C-N 3.26Å; F13-N16 PolarHBondContact O-N 3.39Å; F13-F18 HydrophobicContact CB-CE1 3.85Å; F13-M53 HydrophobicContact CE1-CE 4.3Å |
| 14 | E | 96.8 | Very high | 95.6 | Very high | 35 Ų | 35 | 51.8 Ų | 51.8 | 16% | 0.164 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -74.7 | -22.1 | 174.7 | -59.1 | 176.5 | 133.4 | 0 | 0 | 111.6 | Y10 K11 S12 Q142 A144 S145 | Y10-E14 HydrophobicContact CD1-CB 4.01Å; K11-E14 HydrophobicContact CB-CG 4.1Å; K11-E14 PolarHBondContact N-OE2 3.46Å; K11-E14 WeakPolarHBondContact O-CA 3.35Å; K11-E14 WeakPolarHBondContact O-CB 3.38Å; K11-E14 PolarHBondContact O-N 2.68Å; S12-E14 VanDerWaalsContact C-N 3.31Å; S12-E14 PolarHBondContact O-N 2.81Å; E14-Q142 PolarHBondContact O-NE2 3.43Å; E14-A144 HydrophobicContact CB-CB 4.1Å; E14-A144 HydrophobicContact CG-CB 4.19Å; E14-S145 VanDerWaalsContact CD-OG 3.23Å; E14-S145 WeakPolarHBondContact OE1-CB 3.37Å; E14-S145 PolarHBondContact OE1-N 3.25Å; E14-S145 PolarHBondContact OE1-OG 3.46Å; E14-S145 PolarHBondContact OE2-OG 2.92Å; E14-S145 VanDerWaalsContact OE2-OG 3.11Å |
| 15 | L | 95.7 | Very high | 95.4 | Very high | 26 Ų | 26 | 50.6 Ų | 50.6 | 14% | 0.136 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -91.6 | 4.7 | 171.3 | -62.5 | 174.4 | 0 | 0 | 0 | 112.8 | Y10 K11 S12 F13 I17 L28 I55 W58 F169 | Y10-L15 HydrophobicContact CD1-CD2 4.24Å; Y10-L15 HydrophobicContact CD2-CD2 3.68Å; Y10-L15 HydrophobicContact CD2-CG 4.39Å; Y10-L15 HydrophobicContact CE2-CD2 4.24Å; Y10-L15 HydrophobicContact CG-CD2 3.66Å; Y10-L15 HydrophobicContact CG-CG 4.02Å; K11-L15 PolarHBondContact O-N 3.27Å; S12-L15 PolarHBondContact O-N 3.26Å; F13-L15 VanDerWaalsContact C-N 3.26Å; L15-I17 HydrophobicContact CB-CD1 3.89Å; L15-I17 HydrophobicContact CB-CG1 4.02Å; L15-I17 HydrophobicContact CD1-CD1 4.22Å; L15-I17 PolarHBondContact O-N 3.11Å; L15-L28 HydrophobicContact CD1-CD1 4.12Å; L15-I55 HydrophobicContact CD1-CD1 4.36Å; L15-W58 HydrophobicContact CD1-CH2 4.03Å; L15-W58 HydrophobicContact CD1-CZ3 3.77Å; L15-F169 HydrophobicContact CD2-CE1 3.78Å; L15-F169 HydrophobicContact CD2-CZ 3.53Å |
| 16 | N | 94.8 | Very high | 95.3 | Very high | 120 Ų | 120 | 54.8 Ų | 54.8 | 64% | 0.642 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 25.5 | -170.9 | -56.7 | -64.5 | 0 | 0 | 0 | 114.3 | S12 F13 F18 | S12-N16 PolarHBondContact O-N 3.14Å; F13-N16 PolarHBondContact O-N 3.39Å; N16-F18 HydrophobicContact CB-CE2 4.21Å; N16-F18 VanDerWaalsContact O-CD2 3.3Å; N16-F18 WeakPolarHBondContact O-CD2 3.46Å; N16-F18 WeakPolarHBondContact O-CE2 3.48Å |
| 17 | I | 95.1 | Very high | 95.1 | Very high | 15 Ų | 15 | 56.9 Ų | 56.9 | 8% | 0.077 | 28% | 0.282 | C | S | . | . | trans | -98.3 | 111.8 | 177.7 | -63.4 | 171.5 | 0 | 0 | 0 | 109 | S12 L15 A22 E24 V25 L28 W58 | S12-I17 CarbonylContact C-O 3.56Å; S12-I17 WeakPolarHBondContact CB-O 3.44Å; S12-I17 PolarHBondContact O-N 2.83Å; L15-I17 HydrophobicContact CB-CD1 3.89Å; L15-I17 HydrophobicContact CB-CG1 4.02Å; L15-I17 HydrophobicContact CD1-CD1 4.22Å; L15-I17 PolarHBondContact O-N 3.11Å; I17-A22 HydrophobicContact CG2-CB 4.26Å; I17-E24 HydrophobicContact CD1-CB 3.74Å; I17-E24 HydrophobicContact CG1-CB 4.28Å; I17-V25 HydrophobicContact CG2-CG2 3.44Å; I17-V25 VanDerWaalsContact CG2-CG2 3.44Å; I17-L28 HydrophobicContact CD1-CD1 3.71Å; I17-W58 HydrophobicContact CB-CH2 4.3Å; I17-W58 HydrophobicContact CB-CZ2 4.47Å; I17-W58 HydrophobicContact CD1-CH2 3.81Å; I17-W58 HydrophobicContact CD1-CZ2 4.48Å; I17-W58 HydrophobicContact CG2-CH2 4.21Å; I17-W58 HydrophobicContact CG2-CZ2 3.93Å | ||
| 18 | F | 92.2 | Very high | 95 | Very high | 157 Ų | 157 | 57.2 Ų | 57.2 | 69% | 0.689 | 28% | 0.284 | S | S | * | . | trans | -113.9 | -7 | -176 | -58.4 | -76.2 | 0 | 0 | 0 | 114.2 | F13 N16 | F13-F18 HydrophobicContact CB-CE1 3.85Å; N16-F18 HydrophobicContact CB-CE2 4.21Å; N16-F18 VanDerWaalsContact O-CD2 3.3Å; N16-F18 WeakPolarHBondContact O-CD2 3.46Å; N16-F18 WeakPolarHBondContact O-CE2 3.48Å | ||
| 19 | K | 92 | Very high | 95 | Very high | 145 Ų | 145 | 59.3 Ų | 59.3 | 63% | 0.63 | 29% | 0.292 | S | S | * | . | trans | -126.1 | 141.2 | 178.6 | -56.1 | -177.6 | 177.3 | 179.6 | 0 | 110.2 | D21 A22 | K19-D21 VanDerWaalsContact C-N 3.27Å; K19-D21 WeakPolarHBondContact CB-OD1 3.47Å; K19-D21 PolarHBondContact O-N 2.88Å; K19-A22 WeakPolarHBondContact O-CB 3.42Å; K19-A22 PolarHBondContact O-N 2.83Å | ||
| 20 | D | 89.8 | Confident | 94.9 | Very high | 58 Ų | 58 | 61.9 Ų | 61.9 | 31% | 0.31 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -21.4 | 178.9 | -74.2 | -45.5 | 0 | 0 | 0 | 113.3 | A22 H91 K95 | D20-A22 VanDerWaalsContact C-N 3.33Å; D20-H91 IonicContact OD2-CD2 3.52Å; D20-H91 IonicContact OD2-CE1 3.64Å; D20-H91 PolarHBondContact OD2-CE1 3.01Å; D20-H91 IonicContact OD2-NE2 2.68Å; D20-H91 PolarHBondContact OD2-NE2 3.11Å; D20-K95 IonicContact OD1-NZ 2.66Å; D20-K95 PolarHBondContact OD1-NZ 2.94Å |
| 21 | D | 91.9 | Very high | 94.9 | Very high | 130 Ų | 130 | 62 Ų | 62 | 70% | 0.695 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | 6.9 | 178.4 | 67.6 | -14.7 | 0 | 0 | 0 | 113.2 | K19 | K19-D21 VanDerWaalsContact C-N 3.27Å; K19-D21 WeakPolarHBondContact CB-OD1 3.47Å; K19-D21 PolarHBondContact O-N 2.88Å |
| 22 | A | 93.4 | Very high | 95 | Very high | 18 Ų | 18 | 60.5 Ų | 60.5 | 15% | 0.149 | 30% | 0.298 | C | S | . | . | trans | -63.3 | 133.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | I17 K19 D20 E24 V25 | I17-A22 HydrophobicContact CG2-CB 4.26Å; K19-A22 WeakPolarHBondContact O-CB 3.42Å; K19-A22 PolarHBondContact O-N 2.83Å; D20-A22 VanDerWaalsContact C-N 3.33Å; A22-E24 WeakPolarHBondContact CB-OE2 3.41Å; A22-E24 PolarHBondContact O-N 3.35Å; A22-E24 VanDerWaalsContact O-N 3.09Å; A22-V25 HydrophobicContact CB-CG2 4.2Å; A22-V25 WeakPolarHBondContact O-CB 3.47Å; A22-V25 PolarHBondContact O-N 3.44Å | ||
| 23 | P | 92.7 | Very high | 95.1 | Very high | 84 Ų | 84 | 61.4 Ų | 61.4 | 55% | 0.545 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -52.3 | -34 | 180 | -27.8 | 35.1 | 0 | 0 | 0 | 113.6 | V25 H26 Y27 | P23-V25 VanDerWaalsContact C-N 3.26Å; P23-V25 PolarHBondContact O-N 2.99Å; P23-H26 WeakPolarHBondContact O-CB 3.38Å; P23-H26 PolarHBondContact O-N 3.27Å; P23-H26 VanDerWaalsContact O-N 3.1Å; P23-Y27 HydrophobicContact CB-CE2 4.47Å; P23-Y27 WeakPolarHBondContact O-CD2 3.46Å; P23-Y27 PolarHBondContact O-N 3.1Å |
| 24 | E | 93.3 | Very high | 95.2 | Very high | 105 Ų | 105 | 59.7 Ų | 59.7 | 49% | 0.491 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.4 | -36.1 | 177.2 | -57.7 | 86.6 | 164.8 | 0 | 0 | 112 | I17 A22 H26 Y27 L28 | I17-E24 HydrophobicContact CD1-CB 3.74Å; I17-E24 HydrophobicContact CG1-CB 4.28Å; A22-E24 WeakPolarHBondContact CB-OE2 3.41Å; A22-E24 PolarHBondContact O-N 3.35Å; A22-E24 VanDerWaalsContact O-N 3.09Å; E24-H26 VanDerWaalsContact C-N 3.34Å; E24-Y27 PolarHBondContact O-N 3.03Å; E24-L28 WeakPolarHBondContact O-CB 3.24Å; E24-L28 WeakPolarHBondContact O-CD1 3.31Å; E24-L28 VanDerWaalsContact O-CG 3.28Å; E24-L28 WeakPolarHBondContact O-CG 3.37Å; E24-L28 PolarHBondContact O-N 2.91Å |
| 25 | V | 96 | Very high | 95.3 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66 | -39.7 | 176.5 | 178.3 | 0 | 0 | 0 | 0 | 110.8 | I17 A22 P23 K29 W58 | I17-V25 HydrophobicContact CG2-CG2 3.44Å; I17-V25 VanDerWaalsContact CG2-CG2 3.44Å; A22-V25 HydrophobicContact CB-CG2 4.2Å; A22-V25 WeakPolarHBondContact O-CB 3.47Å; A22-V25 PolarHBondContact O-N 3.44Å; P23-V25 VanDerWaalsContact C-N 3.26Å; P23-V25 PolarHBondContact O-N 2.99Å; V25-K29 HydrophobicContact CG1-CD 4.18Å; V25-K29 HydrophobicContact CG1-CG 4.5Å; V25-K29 WeakPolarHBondContact O-CB 3.24Å; V25-K29 VanDerWaalsContact O-CG 3.31Å; V25-K29 WeakPolarHBondContact O-CG 3.47Å; V25-K29 PolarHBondContact O-N 2.97Å; V25-W58 HydrophobicContact CG1-CD2 4.49Å; V25-W58 HydrophobicContact CG1-CG 4.44Å; V25-W58 HydrophobicContact CG2-CZ2 3.84Å |
| 26 | H | 95.6 | Very high | 95.4 | Very high | 88 Ų | 88 | 57.5 Ų | 57.5 | 41% | 0.407 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.9 | -51 | 177.2 | 173.2 | 80.1 | 0 | 0 | 0 | 110.6 | P23 E24 L28 K29 Q30 | P23-H26 WeakPolarHBondContact O-CB 3.38Å; P23-H26 PolarHBondContact O-N 3.27Å; P23-H26 VanDerWaalsContact O-N 3.1Å; E24-H26 VanDerWaalsContact C-N 3.34Å; H26-L28 PolarHBondContact O-N 3.06Å; H26-K29 PolarHBondContact O-N 2.69Å; H26-Q30 WeakPolarHBondContact O-CG 3.26Å; H26-Q30 PolarHBondContact O-N 3.36Å |
| 27 | Y | 95 | Very high | 95.6 | Very high | 45 Ų | 45 | 54.6 Ų | 54.6 | 18% | 0.176 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.7 | -42 | 179.5 | -71.2 | -57.2 | 0 | 0 | 0 | 113.3 | P23 E24 K29 Q30 F31 I176 L179 Q180 | P23-Y27 HydrophobicContact CB-CE2 4.47Å; P23-Y27 WeakPolarHBondContact O-CD2 3.46Å; P23-Y27 PolarHBondContact O-N 3.1Å; E24-Y27 PolarHBondContact O-N 3.03Å; Y27-K29 VanDerWaalsContact C-N 3.3Å; Y27-K29 PolarHBondContact O-N 3.44Å; Y27-Q30 PolarHBondContact O-N 3.4Å; Y27-F31 WeakPolarHBondContact O-CB 3.3Å; Y27-F31 PolarHBondContact O-N 3.23Å; Y27-I176 HydrophobicContact CD1-CG1 4.06Å; Y27-I176 HydrophobicContact CD1-CG2 4.01Å; Y27-I176 HydrophobicContact CD2-CG2 4.41Å; Y27-I176 HydrophobicContact CE1-CG2 4.14Å; Y27-I176 HydrophobicContact CG-CD1 4.1Å; Y27-I176 HydrophobicContact CG-CG1 3.95Å; Y27-I176 HydrophobicContact CG-CG2 4.17Å; Y27-L179 HydrophobicContact CD1-CD2 4.08Å; Y27-L179 HydrophobicContact CE1-CD2 4.21Å; Y27-Q180 HydrophobicContact CE1-CG 4.24Å; Y27-Q180 PolarHBondContact OH-NE2 3.23Å |
| 28 | L | 96.6 | Very high | 95.7 | Very high | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.042 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.8 | -40.8 | 174.5 | -79.1 | 163.8 | 0 | 0 | 0 | 111.9 | L15 I17 E24 H26 F31 I32 I55 W58 L172 | L15-L28 HydrophobicContact CD1-CD1 4.12Å; I17-L28 HydrophobicContact CD1-CD1 3.71Å; E24-L28 WeakPolarHBondContact O-CB 3.24Å; E24-L28 WeakPolarHBondContact O-CD1 3.31Å; E24-L28 VanDerWaalsContact O-CG 3.28Å; E24-L28 WeakPolarHBondContact O-CG 3.37Å; E24-L28 PolarHBondContact O-N 2.91Å; H26-L28 PolarHBondContact O-N 3.06Å; L28-F31 PolarHBondContact O-N 2.85Å; L28-I32 WeakPolarHBondContact O-CB 3.49Å; L28-I32 WeakPolarHBondContact O-CD1 3.18Å; L28-I32 VanDerWaalsContact O-CG1 3.22Å; L28-I32 WeakPolarHBondContact O-CG1 3.4Å; L28-I32 PolarHBondContact O-N 3.5Å; L28-I55 HydrophobicContact CD2-CD1 4.19Å; L28-W58 HydrophobicContact CB-CE3 4.48Å; L28-W58 HydrophobicContact CD1-CE3 4.14Å; L28-W58 HydrophobicContact CD1-CH2 4.11Å; L28-W58 HydrophobicContact CD1-CZ3 3.59Å; L28-L172 HydrophobicContact CD2-CD1 4.07Å; L28-L172 HydrophobicContact CD2-CD2 3.48Å; L28-L172 VanDerWaalsContact CD2-CD2 3.48Å; L28-L172 HydrophobicContact CD2-CG 4.45Å; L28-L172 HydrophobicContact CG-CD2 4.28Å |
| 29 | K | 98 | Very high | 95.9 | Very high | 50 Ų | 50 | 51.1 Ų | 51.1 | 22% | 0.217 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 175.6 | -75.8 | 178.7 | 176.1 | -178.6 | 0 | 112.5 | V25 H26 Y27 F31 I32 K33 W58 E61 V62 | V25-K29 HydrophobicContact CG1-CD 4.18Å; V25-K29 HydrophobicContact CG1-CG 4.5Å; V25-K29 WeakPolarHBondContact O-CB 3.24Å; V25-K29 VanDerWaalsContact O-CG 3.31Å; V25-K29 WeakPolarHBondContact O-CG 3.47Å; V25-K29 PolarHBondContact O-N 2.97Å; H26-K29 PolarHBondContact O-N 2.69Å; Y27-K29 VanDerWaalsContact C-N 3.3Å; Y27-K29 PolarHBondContact O-N 3.44Å; K29-F31 VanDerWaalsContact C-N 3.32Å; K29-F31 PolarHBondContact O-N 2.82Å; K29-I32 PolarHBondContact O-N 3.5Å; K29-K33 VanDerWaalsContact O-CB 3.24Å; K29-K33 WeakPolarHBondContact O-CB 3.34Å; K29-K33 PolarHBondContact O-N 3.49Å; K29-W58 HydrophobicContact CG-CB 4.13Å; K29-E61 WeakPolarHBondContact CE-OE2 3.38Å; K29-E61 IonicContact NZ-OE1 2.75Å; K29-E61 IonicContact NZ-OE2 3.91Å; K29-E61 PolarHBondContact NZ-OE2 3.4Å; K29-V62 HydrophobicContact CB-CG2 3.74Å; K29-V62 HydrophobicContact CG-CG2 3.87Å; K29-V62 WeakPolarHBondContact O-CG2 3.47Å |
| 30 | Q | 97.6 | Very high | 96.2 | Very high | 56 Ų | 56 | 45.1 Ų | 45.1 | 26% | 0.262 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62 | -41.7 | 174.7 | -67.9 | -56.4 | -35 | 0 | 0 | 111.4 | H26 Y27 K33 H34 F175 L179 | H26-Q30 WeakPolarHBondContact O-CG 3.26Å; H26-Q30 PolarHBondContact O-N 3.36Å; Y27-Q30 PolarHBondContact O-N 3.4Å; Q30-K33 WeakPolarHBondContact O-CB 3.26Å; Q30-K33 PolarHBondContact O-N 3.42Å; Q30-H34 WeakPolarHBondContact O-CB 3.49Å; Q30-H34 PolarHBondContact O-N 2.97Å; Q30-F175 HydrophobicContact CB-CE1 3.92Å; Q30-F175 HydrophobicContact CB-CZ 4.19Å; Q30-L179 HydrophobicContact CB-CD2 4.05Å; Q30-L179 HydrophobicContact CG-CD2 4.09Å |
| 31 | F | 97.7 | Very high | 96.5 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.009 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.7 | -47.3 | 176.2 | -177.6 | -89.1 | 0 | 0 | 0 | 112.2 | Y27 L28 K29 K33 H34 K35 V167 E171 L172 F175 | Y27-F31 WeakPolarHBondContact O-CB 3.3Å; Y27-F31 PolarHBondContact O-N 3.23Å; L28-F31 PolarHBondContact O-N 2.85Å; K29-F31 VanDerWaalsContact C-N 3.32Å; K29-F31 PolarHBondContact O-N 2.82Å; F31-K33 VanDerWaalsContact C-N 3.28Å; F31-K33 PolarHBondContact O-N 3.2Å; F31-H34 WeakPolarHBondContact O-CB 3.2Å; F31-H34 PolarHBondContact O-N 3.18Å; F31-K35 HydrophobicContact CD1-CG 4.22Å; F31-K35 HydrophobicContact CE1-CD 4.36Å; F31-K35 HydrophobicContact CE1-CG 3.65Å; F31-K35 HydrophobicContact CZ-CD 4.24Å; F31-K35 HydrophobicContact CZ-CG 3.95Å; F31-K35 PolarHBondContact O-N 3.2Å; F31-V167 HydrophobicContact CD1-CG1 4.37Å; F31-V167 HydrophobicContact CE1-CB 4.06Å; F31-V167 HydrophobicContact CE1-CG1 3.33Å; F31-V167 HydrophobicContact CE1-CG2 3.77Å; F31-V167 HydrophobicContact CE2-CG1 4.33Å; F31-V167 HydrophobicContact CZ-CB 4.17Å; F31-V167 HydrophobicContact CZ-CG1 3.28Å; F31-V167 HydrophobicContact CZ-CG2 3.82Å; F31-E171 HydrophobicContact CE2-CG 4.16Å; F31-E171 HydrophobicContact CZ-CG 4.22Å; F31-L172 HydrophobicContact CB-CD1 3.52Å; F31-L172 HydrophobicContact CD1-CD1 4.09Å; F31-L172 HydrophobicContact CD2-CD1 3.85Å; F31-L172 HydrophobicContact CG-CD1 3.52Å; F31-F175 HydrophobicContact CB-CD1 3.87Å; F31-F175 HydrophobicContact CB-CE1 3.9Å; F31-F175 HydrophobicContact CD2-CB 3.63Å; F31-F175 AromaticContact CD2-CD1 3.71Å; F31-F175 HydrophobicContact CD2-CD1 3.71Å; F31-F175 HydrophobicContact CD2-CD2 4.08Å; F31-F175 HydrophobicContact CD2-CE1 4.38Å; F31-F175 AromaticContact CD2-CG 3.54Å; F31-F175 HydrophobicContact CD2-CG 3.54Å; F31-F175 HydrophobicContact CE2-CB 4Å; F31-F175 HydrophobicContact CE2-CG 4.27Å; F31-F175 HydrophobicContact CG-CD1 4.3Å |
| 32 | I | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.2 | -42.8 | 175.5 | -70.1 | 161.6 | 0 | 0 | 0 | 110.4 | L28 K29 K35 I36 W58 T59 V62 I137 | L28-I32 WeakPolarHBondContact O-CB 3.49Å; L28-I32 WeakPolarHBondContact O-CD1 3.18Å; L28-I32 VanDerWaalsContact O-CG1 3.22Å; L28-I32 WeakPolarHBondContact O-CG1 3.4Å; L28-I32 PolarHBondContact O-N 3.5Å; K29-I32 PolarHBondContact O-N 3.5Å; I32-K35 PolarHBondContact O-N 3.02Å; I32-I36 HydrophobicContact CG2-CD1 3.66Å; I32-I36 HydrophobicContact CG2-CG1 4.31Å; I32-I36 VanDerWaalsContact O-CG1 3.31Å; I32-I36 WeakPolarHBondContact O-CG1 3.11Å; I32-I36 PolarHBondContact O-N 3.02Å; I32-W58 HydrophobicContact CD1-CB 4.21Å; I32-T59 HydrophobicContact CG2-CG2 4.23Å; I32-V62 HydrophobicContact CB-CG2 4.44Å; I32-V62 HydrophobicContact CG2-CB 4.26Å; I32-V62 HydrophobicContact CG2-CG1 4.21Å; I32-V62 HydrophobicContact CG2-CG2 4.28Å; I32-I137 HydrophobicContact CD1-CD1 4.07Å; I32-I137 HydrophobicContact CG1-CD1 3.65Å |
| 33 | K | 98.6 | Very high | 96.8 | Very high | 42 Ų | 42 | 48.9 Ų | 48.9 | 18% | 0.183 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.3 | -49 | 176.2 | -176.3 | 177.4 | 178.1 | 172.6 | 0 | 111.2 | K29 Q30 F31 K35 I36 E37 V62 E65 L66 | K29-K33 VanDerWaalsContact O-CB 3.24Å; K29-K33 WeakPolarHBondContact O-CB 3.34Å; K29-K33 PolarHBondContact O-N 3.49Å; Q30-K33 WeakPolarHBondContact O-CB 3.26Å; Q30-K33 PolarHBondContact O-N 3.42Å; F31-K33 VanDerWaalsContact C-N 3.28Å; F31-K33 PolarHBondContact O-N 3.2Å; K33-K35 PolarHBondContact O-N 3.42Å; K33-I36 PolarHBondContact O-N 3.19Å; K33-E37 WeakPolarHBondContact CE-OE1 3.34Å; K33-E37 HydrophobicContact CG-CG 4.39Å; K33-E37 WeakPolarHBondContact O-CB 3.34Å; K33-E37 WeakPolarHBondContact O-CG 3.26Å; K33-E37 PolarHBondContact O-N 3.45Å; K33-V62 HydrophobicContact CB-CG1 3.66Å; K33-V62 HydrophobicContact CG-CG1 4.17Å; K33-E65 IonicContact NZ-OE1 2.75Å; K33-E65 PolarHBondContact NZ-OE1 2.92Å; K33-L66 HydrophobicContact CD-CD2 4.44Å; K33-L66 HydrophobicContact CG-CD1 4.32Å; K33-L66 HydrophobicContact CG-CD2 4.02Å; K33-L66 HydrophobicContact CG-CG 4.36Å |
| 34 | H | 97.8 | Very high | 97.1 | Very high | 68 Ų | 68 | 45 Ų | 45 | 32% | 0.315 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -55.9 | -47.3 | 176.8 | 175.4 | 70 | 0 | 0 | 0 | 112.3 | Q30 F31 I36 E37 Q38 F175 | Q30-H34 WeakPolarHBondContact O-CB 3.49Å; Q30-H34 PolarHBondContact O-N 2.97Å; F31-H34 WeakPolarHBondContact O-CB 3.2Å; F31-H34 PolarHBondContact O-N 3.18Å; H34-I36 PolarHBondContact O-N 3.09Å; H34-E37 PolarHBondContact O-N 3.43Å; H34-Q38 PolarHBondContact NE2-NE2 3.21Å; H34-Q38 VanDerWaalsContact NE2-NE2 3.17Å; H34-Q38 WeakPolarHBondContact O-CG 3.48Å; H34-Q38 PolarHBondContact O-N 2.82Å; H34-F175 HydrophobicContact CB-CE2 3.65Å; H34-F175 HydrophobicContact CB-CZ 3.95Å; H34-F175 AromaticContact CD2-CE2 3.93Å; H34-F175 AromaticContact CG-CE2 3.64Å |
| 35 | K | 98.1 | Very high | 97.4 | Very high | 14 Ų | 14 | 43.5 Ų | 43.5 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.2 | -41.1 | 177.4 | -71.1 | -71 | -173.7 | 167.4 | 0 | 112.7 | F31 I32 K33 Q38 L39 L135 D165 E171 | F31-K35 HydrophobicContact CD1-CG 4.22Å; F31-K35 HydrophobicContact CE1-CD 4.36Å; F31-K35 HydrophobicContact CE1-CG 3.65Å; F31-K35 HydrophobicContact CZ-CD 4.24Å; F31-K35 HydrophobicContact CZ-CG 3.95Å; F31-K35 PolarHBondContact O-N 3.2Å; I32-K35 PolarHBondContact O-N 3.02Å; K33-K35 PolarHBondContact O-N 3.42Å; K35-Q38 PolarHBondContact O-N 2.94Å; K35-L39 WeakPolarHBondContact O-CG 3.44Å; K35-L39 PolarHBondContact O-N 2.89Å; K35-L135 HydrophobicContact CB-CD1 4.5Å; K35-L135 HydrophobicContact CB-CD2 3.72Å; K35-L135 HydrophobicContact CD-CD1 4.36Å; K35-L135 HydrophobicContact CG-CD1 4.33Å; K35-L135 HydrophobicContact CG-CD2 4.3Å; K35-D165 WeakPolarHBondContact CE-OD2 3.48Å; K35-D165 IonicContact NZ-OD1 2.69Å; K35-D165 IonicContact NZ-OD2 3.8Å; K35-D165 PolarHBondContact NZ-OD2 3.17Å; K35-E171 WeakPolarHBondContact CE-OE1 3.39Å; K35-E171 IonicContact NZ-OE1 3.74Å; K35-E171 PolarHBondContact NZ-OE1 3.22Å; K35-E171 IonicContact NZ-OE2 3.29Å |
| 36 | I | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.7 | -39.5 | 177.8 | -66.4 | 172.3 | 0 | 0 | 0 | 111 | I32 K33 H34 Q38 L39 L40 L44 T59 V62 V63 L66 L73 | I32-I36 HydrophobicContact CG2-CD1 3.66Å; I32-I36 HydrophobicContact CG2-CG1 4.31Å; I32-I36 VanDerWaalsContact O-CG1 3.31Å; I32-I36 WeakPolarHBondContact O-CG1 3.11Å; I32-I36 PolarHBondContact O-N 3.02Å; K33-I36 PolarHBondContact O-N 3.19Å; H34-I36 PolarHBondContact O-N 3.09Å; I36-Q38 PolarHBondContact O-N 2.87Å; I36-L39 PolarHBondContact O-N 2.88Å; I36-L40 HydrophobicContact CG2-CD1 3.98Å; I36-L40 HydrophobicContact CG2-CG 4.27Å; I36-L40 VanDerWaalsContact O-CG 3.31Å; I36-L40 WeakPolarHBondContact O-CG 3.46Å; I36-L40 PolarHBondContact O-N 3.28Å; I36-L44 HydrophobicContact CG2-CD2 3.98Å; I36-T59 HydrophobicContact CD1-CG2 4.04Å; I36-V62 HydrophobicContact CD1-CG1 4.12Å; I36-V63 HydrophobicContact CD1-CG2 3.81Å; I36-L66 HydrophobicContact CB-CD1 3.95Å; I36-L66 HydrophobicContact CG2-CD1 3.51Å; I36-L73 HydrophobicContact CG2-CD2 4.5Å |
| 37 | E | 98.2 | Very high | 97.7 | Very high | 60 Ų | 60 | 42.5 Ų | 42.5 | 28% | 0.28 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.8 | -40.9 | 175.9 | -74.7 | 173.4 | 161.6 | 0 | 0 | 112 | K33 H34 L39 L40 D41 L66 | K33-E37 WeakPolarHBondContact CE-OE1 3.34Å; K33-E37 HydrophobicContact CG-CG 4.39Å; K33-E37 WeakPolarHBondContact O-CB 3.34Å; K33-E37 WeakPolarHBondContact O-CG 3.26Å; K33-E37 PolarHBondContact O-N 3.45Å; H34-E37 PolarHBondContact O-N 3.43Å; E37-L39 VanDerWaalsContact C-N 3.33Å; E37-L39 PolarHBondContact O-N 2.7Å; E37-L40 WeakPolarHBondContact O-CB 3.39Å; E37-L40 PolarHBondContact O-N 2.81Å; E37-D41 PolarHBondContact O-N 3.12Å; E37-L66 HydrophobicContact CG-CD2 3.95Å |
| 38 | Q | 97.3 | Very high | 97.8 | Very high | 85 Ų | 85 | 41 Ų | 41 | 40% | 0.397 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.7 | -42.8 | 172.5 | -71.8 | 175.9 | -37.1 | 0 | 0 | 112.2 | H34 K35 I36 D41 E42 | H34-Q38 PolarHBondContact NE2-NE2 3.21Å; H34-Q38 VanDerWaalsContact NE2-NE2 3.17Å; H34-Q38 WeakPolarHBondContact O-CG 3.48Å; H34-Q38 PolarHBondContact O-N 2.82Å; K35-Q38 PolarHBondContact O-N 2.94Å; I36-Q38 PolarHBondContact O-N 2.87Å; Q38-D41 PolarHBondContact O-N 2.88Å; Q38-E42 PolarHBondContact O-N 2.82Å |
| 39 | L | 97.9 | Very high | 97.9 | Very high | 14 Ų | 14 | 40.7 Ų | 40.7 | 7% | 0.073 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.1 | -34.4 | 176.4 | -68.5 | 170.2 | 0 | 0 | 0 | 112.1 | V2 V5 K35 I36 E37 D41 E42 G43 L44 | V2-L39 HydrophobicContact CB-CD2 4.49Å; V2-L39 HydrophobicContact CG1-CD2 4.21Å; V5-L39 HydrophobicContact CB-CD1 4.12Å; V5-L39 HydrophobicContact CG1-CD1 4.07Å; V5-L39 HydrophobicContact CG2-CD1 3.9Å; K35-L39 WeakPolarHBondContact O-CG 3.44Å; K35-L39 PolarHBondContact O-N 2.89Å; I36-L39 PolarHBondContact O-N 2.88Å; E37-L39 VanDerWaalsContact C-N 3.33Å; E37-L39 PolarHBondContact O-N 2.7Å; L39-D41 VanDerWaalsContact C-N 3.33Å; L39-E42 CarbonylContact O-C 3.5Å; L39-E42 WeakPolarHBondContact O-CA 3.48Å; L39-E42 PolarHBondContact O-N 3.18Å; L39-E42 VanDerWaalsContact O-N 3.09Å; L39-G43 PolarHBondContact O-N 2.99Å; L39-L44 VanDerWaalsContact C-CB 3.48Å; L39-L44 HydrophobicContact CB-CB 3.97Å; L39-L44 HydrophobicContact CB-CD2 3.85Å; L39-L44 HydrophobicContact CB-CG 4.33Å; L39-L44 VanDerWaalsContact O-CB 3.24Å; L39-L44 WeakPolarHBondContact O-CB 3.19Å; L39-L44 PolarHBondContact O-N 3.27Å |
| 40 | L | 98.1 | Very high | 98 | Very high | 18 Ų | 18 | 38.5 Ų | 38.5 | 9% | 0.094 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.8 | -40.7 | 174.1 | -77.2 | 164.7 | 0 | 0 | 0 | 111.6 | I36 E37 E42 G43 L44 L66 Y70 L73 | I36-L40 HydrophobicContact CG2-CD1 3.98Å; I36-L40 HydrophobicContact CG2-CG 4.27Å; I36-L40 VanDerWaalsContact O-CG 3.31Å; I36-L40 WeakPolarHBondContact O-CG 3.46Å; I36-L40 PolarHBondContact O-N 3.28Å; E37-L40 WeakPolarHBondContact O-CB 3.39Å; E37-L40 PolarHBondContact O-N 2.81Å; L40-E42 PolarHBondContact O-N 2.99Å; L40-G43 PolarHBondContact O-N 3.17Å; L40-L44 HydrophobicContact CD2-CB 4.31Å; L40-L44 HydrophobicContact CG-CB 4.47Å; L40-L44 HydrophobicContact CG-CD2 4.44Å; L40-L66 HydrophobicContact CD1-CD1 4.34Å; L40-Y70 HydrophobicContact CB-CD1 4.45Å; L40-Y70 HydrophobicContact CB-CE1 4.21Å; L40-Y70 HydrophobicContact CD1-CD1 3.97Å; L40-Y70 HydrophobicContact CD1-CD2 3.77Å; L40-Y70 HydrophobicContact CD1-CE1 4.02Å; L40-Y70 HydrophobicContact CD1-CE2 3.85Å; L40-Y70 HydrophobicContact CD1-CG 3.84Å; L40-Y70 HydrophobicContact CD2-CD1 4.08Å; L40-Y70 HydrophobicContact CD2-CG 4.23Å; L40-Y70 HydrophobicContact CG-CD1 4.42Å; L40-L73 HydrophobicContact CD1-CD2 4.24Å; L40-L73 HydrophobicContact CD2-CB 4.15Å; L40-L73 HydrophobicContact CD2-CD1 4.08Å; L40-L73 HydrophobicContact CD2-CD2 4.28Å; L40-L73 HydrophobicContact CD2-CG 4.39Å |
| 41 | D | 96.5 | Very high | 98 | Very high | 137 Ų | 137 | 35.8 Ų | 35.8 | 73% | 0.733 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -62 | -25.7 | 174.1 | -71.1 | -20 | 0 | 0 | 0 | 112.3 | E37 Q38 L39 | E37-D41 PolarHBondContact O-N 3.12Å; Q38-D41 PolarHBondContact O-N 2.88Å; L39-D41 VanDerWaalsContact C-N 3.33Å |
| 42 | E | 95.2 | Very high | 97.9 | Very high | 117 Ų | 117 | 36.9 Ų | 36.9 | 55% | 0.547 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -1 | 174.9 | -64.3 | -171.4 | -171.8 | 0 | 0 | 114.4 | Q38 L39 L40 | Q38-E42 PolarHBondContact O-N 2.82Å; L39-E42 CarbonylContact O-C 3.5Å; L39-E42 WeakPolarHBondContact O-CA 3.48Å; L39-E42 PolarHBondContact O-N 3.18Å; L39-E42 VanDerWaalsContact O-N 3.09Å; L40-E42 PolarHBondContact O-N 2.99Å |
| 43 | G | 96.4 | Very high | 97.9 | Very high | 31 Ų | 31 | 38.2 Ų | 38.2 | 32% | 0.32 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.1 | 28.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | L39 L40 | L39-G43 PolarHBondContact O-N 2.99Å; L40-G43 PolarHBondContact O-N 3.17Å |
| 44 | L | 98.4 | Very high | 97.8 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.016 | 18% | 0.182 | C | C | . | . | trans | -55.5 | 134.9 | 170.9 | -176.5 | 71.1 | 0 | 0 | 0 | 111.9 | V2 V5 I36 L39 L40 W46 V47 L73 | V2-L44 HydrophobicContact CG1-CD1 4.5Å; V2-L44 WeakPolarHBondContact O-CA 3.37Å; V5-L44 HydrophobicContact CB-CD1 3.9Å; V5-L44 HydrophobicContact CG1-CD1 3.61Å; V5-L44 HydrophobicContact CG1-CD2 4.02Å; V5-L44 HydrophobicContact CG1-CG 4.47Å; I36-L44 HydrophobicContact CG2-CD2 3.98Å; L39-L44 VanDerWaalsContact C-CB 3.48Å; L39-L44 HydrophobicContact CB-CB 3.97Å; L39-L44 HydrophobicContact CB-CD2 3.85Å; L39-L44 HydrophobicContact CB-CG 4.33Å; L39-L44 VanDerWaalsContact O-CB 3.24Å; L39-L44 WeakPolarHBondContact O-CB 3.19Å; L39-L44 PolarHBondContact O-N 3.27Å; L40-L44 HydrophobicContact CD2-CB 4.31Å; L40-L44 HydrophobicContact CG-CB 4.47Å; L40-L44 HydrophobicContact CG-CD2 4.44Å; L44-W46 WeakPolarHBondContact CD1-O 3.49Å; L44-V47 HydrophobicContact CD2-CG2 3.9Å; L44-L73 HydrophobicContact CD2-CD1 4.16Å; L44-L73 HydrophobicContact CG-CD1 4.43Å | ||
| 45 | E | 98.5 | Very high | 97.8 | Very high | 73 Ų | 73 | 33.1 Ų | 33.1 | 34% | 0.341 | 17% | 0.167 | S | C | . | . | trans | -118.2 | -35.7 | 177.1 | -64.2 | 177.2 | -154 | 0 | 0 | 111.9 | K3 K74 | K3-E45 IonicContact NZ-OE1 3.22Å; K3-E45 PolarHBondContact NZ-OE1 3.1Å; K3-E45 WeakPolarHBondContact O-CA 3.43Å; K3-E45 PolarHBondContact O-N 3.04Å; E45-K74 PolarHBondContact O-N 3.09Å | ||
| 46 | W | 98.8 | Very high | 97.9 | Very high | 68 Ų | 68 | 32.6 Ų | 32.6 | 26% | 0.258 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 132.6 | -172.9 | -74.7 | 89.5 | 0 | 0 | 0 | 113.5 | K3 T4 V5 L44 L48 K74 A76 D104 | K3-W46 PolarHBondContact O-N 3.36Å; T4-W46 CarbonylContact C-O 3.58Å; T4-W46 WeakPolarHBondContact CA-O 3.47Å; T4-W46 HydrophobicContact CG2-CB 3.89Å; V5-W46 PolarHBondContact N-O 3.16Å; L44-W46 WeakPolarHBondContact CD1-O 3.49Å; W46-L48 HydrophobicContact CB-CD2 4.49Å; W46-K74 CarbonylContact C-O 3.57Å; W46-K74 WeakPolarHBondContact CA-O 3.13Å; W46-K74 HydrophobicContact CD2-CB 3.71Å; W46-K74 HydrophobicContact CD2-CD 4.42Å; W46-K74 HydrophobicContact CE3-CB 3.58Å; W46-K74 HydrophobicContact CG-CB 4.43Å; W46-K74 HydrophobicContact CH2-CB 3.88Å; W46-K74 HydrophobicContact CH2-CD 3.72Å; W46-K74 HydrophobicContact CH2-CG 4.4Å; W46-K74 HydrophobicContact CZ2-CB 4Å; W46-K74 HydrophobicContact CZ2-CD 3.35Å; W46-K74 HydrophobicContact CZ2-CG 4.32Å; W46-K74 HydrophobicContact CZ3-CB 3.66Å; W46-K74 HydrophobicContact CZ3-CD 4.38Å; W46-A76 HydrophobicContact CE3-CB 4.3Å; W46-A76 HydrophobicContact CZ3-CB 4.19Å; W46-D104 HydrophobicContact CH2-CB 4.07Å; W46-D104 HydrophobicContact CZ3-CB 3.99Å |
| 47 | V | 98.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.012 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 123.5 | 166.3 | 176.3 | 0 | 0 | 0 | 0 | 109.4 | V5 V7 L44 I49 T59 V63 L73 K74 F75 A76 | V5-V47 HydrophobicContact CG1-CB 4.44Å; V5-V47 HydrophobicContact CG1-CG2 3.86Å; V5-V47 CarbonylContact O-C 3.54Å; V5-V47 WeakPolarHBondContact O-CA 3.46Å; V7-V47 HydrophobicContact CG2-CG1 3.83Å; L44-V47 HydrophobicContact CD2-CG2 3.9Å; V47-I49 HydrophobicContact CG1-CG2 4.5Å; V47-T59 HydrophobicContact CG1-CG2 3.74Å; V47-V63 HydrophobicContact CB-CG2 3.98Å; V47-V63 HydrophobicContact CG1-CG2 4Å; V47-V63 HydrophobicContact CG2-CG2 3.85Å; V47-L73 HydrophobicContact CG2-CD1 4.06Å; V47-K74 PolarHBondContact N-O 3.37Å; V47-F75 HydrophobicContact CB-CB 4.12Å; V47-F75 CarbonylContact O-C 3.53Å; V47-F75 WeakPolarHBondContact O-CA 3.33Å; V47-F75 VanDerWaalsContact O-CB 3.26Å; V47-F75 WeakPolarHBondContact O-CB 3.42Å; V47-A76 PolarHBondContact O-N 2.97Å |
| 48 | L | 98.9 | Very high | 97.9 | Very high | 12 Ų | 12 | 30 Ų | 30 | 6% | 0.063 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 141.4 | 176.1 | -47.9 | -173.7 | 0 | 0 | 0 | 110.2 | T4 V5 Y6 V7 W46 A76 M127 | T4-L48 HydrophobicContact CG2-CD1 3.58Å; T4-L48 HydrophobicContact CG2-CD2 3.94Å; T4-L48 HydrophobicContact CG2-CG 3.54Å; V5-L48 PolarHBondContact O-N 3.4Å; Y6-L48 HydrophobicContact CD2-CB 4.27Å; Y6-L48 VanDerWaalsContact CD2-O 3.29Å; Y6-L48 WeakPolarHBondContact CD2-O 3.17Å; V7-L48 PolarHBondContact N-O 3.47Å; W46-L48 HydrophobicContact CB-CD2 4.49Å; L48-A76 HydrophobicContact CD2-CB 3.67Å; L48-M127 HydrophobicContact CB-CE 4.22Å; L48-M127 HydrophobicContact CB-SD 3.95Å; L48-M127 HydrophobicContact CD1-SD 4.12Å |
| 49 | I | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 158.1 | 170.2 | 63.6 | 169.8 | 0 | 0 | 0 | 111.1 | V47 G51 E56 T59 A60 A76 V77 I78 M127 | V47-I49 HydrophobicContact CG1-CG2 4.5Å; I49-G51 VanDerWaalsContact C-N 3.34Å; I49-E56 HydrophobicContact CB-CB 4.07Å; I49-E56 HydrophobicContact CB-CG 4.24Å; I49-E56 HydrophobicContact CD1-CB 4.47Å; I49-E56 VanDerWaalsContact CD1-O 3.32Å; I49-E56 WeakPolarHBondContact CD1-O 3.31Å; I49-E56 HydrophobicContact CG2-CB 4.25Å; I49-E56 HydrophobicContact CG2-CG 4.41Å; I49-T59 HydrophobicContact CG2-CG2 4.25Å; I49-A60 HydrophobicContact CD1-CB 3.78Å; I49-A76 PolarHBondContact N-O 2.88Å; I49-V77 HydrophobicContact CD1-CG2 4.11Å; I49-V77 HydrophobicContact CG1-CG2 4.03Å; I49-V77 WeakPolarHBondContact O-CA 3.33Å; I49-I78 PolarHBondContact O-N 3.16Å; I49-M127 WeakPolarHBondContact O-CE 3.36Å |
| 50 | Q | 98.6 | Very high | 98 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 2% | 0.019 | 13% | 0.131 | C | C | . | . | trans | -91.1 | 2.1 | 175 | -68.9 | -174.8 | 20.6 | 0 | 0 | 113.7 | Y6 Q52 E56 I78 A123 D124 M127 | Y6-Q50 HydrophobicContact CE2-CG 4.21Å; Y6-Q50 PolarHBondContact OH-NE2 3.08Å; Y6-Q50 VanDerWaalsContact OH-NE2 3.16Å; Q50-Q52 HydrophobicContact CB-CG 4.4Å; Q50-E56 VanDerWaalsContact CA-OE2 3.23Å; Q50-E56 WeakPolarHBondContact CA-OE2 3.22Å; Q50-E56 WeakPolarHBondContact CB-OE2 3.45Å; Q50-E56 PolarHBondContact N-OE2 3.48Å; Q50-I78 WeakPolarHBondContact CA-O 3.45Å; Q50-A123 VanDerWaalsContact NE2-C 3.3Å; Q50-D124 PolarHBondContact NE2-OD1 3.39Å; Q50-M127 HydrophobicContact CB-CE 4.35Å; Q50-M127 HydrophobicContact CG-CE 3.49Å; Q50-M127 VanDerWaalsContact CG-CE 3.49Å; Q50-M127 HydrophobicContact CG-CG 4.05Å | ||
| 51 | G | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | 72.2 | 31.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I49 E56 H84 W88 | I49-G51 VanDerWaalsContact C-N 3.34Å; G51-E56 PolarHBondContact N-OE2 3.35Å; G51-H84 PolarHBondContact O-NE2 3.28Å; G51-W88 VanDerWaalsContact O-CH2 3.22Å; G51-W88 WeakPolarHBondContact O-CH2 3.28Å | ||
| 52 | Q | 97 | Very high | 98.1 | Very high | 24 Ų | 24 | 20.6 Ų | 20.6 | 11% | 0.112 | 10% | 0.104 | C | C | . | . | trans | -89.6 | 150.8 | 176.3 | -60 | -65.9 | -34.9 | 0 | 0 | 112.6 | K11 Q50 E56 L57 | K11-Q52 HydrophobicContact CD-CB 3.82Å; K11-Q52 VanDerWaalsContact CE-CB 3.47Å; Q50-Q52 HydrophobicContact CB-CG 4.4Å; Q52-E56 PolarHBondContact N-OE2 2.92Å; Q52-E56 WeakPolarHBondContact O-CB 3.44Å; Q52-L57 VanDerWaalsContact O-CG 3.27Å; Q52-L57 WeakPolarHBondContact O-CG 3.31Å; Q52-L57 PolarHBondContact O-N 3.02Å | ||
| 53 | M | 96.7 | Very high | 98.3 | Very high | 29 Ų | 29 | 15 Ų | 15 | 14% | 0.143 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 152.2 | 174.8 | -66.2 | 178.8 | -70.9 | 0 | 0 | 112.4 | K11 F13 W88 N92 | K11-M53 VanDerWaalsContact CA-O 3.31Å; K11-M53 WeakPolarHBondContact CA-O 3.4Å; K11-M53 WeakPolarHBondContact CD-O 3.38Å; F13-M53 HydrophobicContact CE1-CE 4.3Å; M53-W88 HydrophobicContact CE-CD2 4.2Å; M53-W88 HydrophobicContact CE-CG 4.26Å; M53-W88 HydrophobicContact CE-CZ2 4.29Å; M53-W88 HydrophobicContact CG-CD2 4.04Å; M53-W88 HydrophobicContact CG-CE3 3.97Å; M53-W88 HydrophobicContact CG-CH2 3.64Å; M53-W88 HydrophobicContact CG-CZ2 3.77Å; M53-W88 HydrophobicContact CG-CZ3 3.76Å; M53-W88 HydrophobicContact SD-CD2 3.99Å; M53-W88 HydrophobicContact SD-CE3 4.32Å; M53-W88 HydrophobicContact SD-CG 4.25Å; M53-N92 HydrophobicContact SD-CB 4.15Å; M53-N92 PolarHBondContact SD-ND2 3.33Å |
| 54 | G | 97.5 | Very high | 98.4 | Very high | 3 Ų | 3 | 14.7 Ų | 14.7 | 3% | 0.031 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | -135.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E56 L57 W58 | G54-E56 VanDerWaalsContact C-N 3.26Å; G54-E56 PolarHBondContact O-N 3.33Å; G54-E56 VanDerWaalsContact O-N 3.16Å; G54-L57 PolarHBondContact O-N 3.3Å; G54-L57 VanDerWaalsContact O-N 3.16Å; G54-W58 VanDerWaalsContact C-CE3 3.42Å; G54-W58 VanDerWaalsContact O-CD2 3.28Å; G54-W58 PolarHBondContact O-N 3.17Å |
| 55 | I | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -49.4 | -45.3 | -172.3 | -64.5 | -58.6 | 0 | 0 | 0 | 112.4 | V7 Y10 L15 L28 W58 T59 I137 | V7-I55 HydrophobicContact CG1-CG2 4.37Å; Y10-I55 WeakPolarHBondContact O-CG1 3.43Å; Y10-I55 PolarHBondContact O-N 3.34Å; Y10-I55 VanDerWaalsContact O-N 3.07Å; L15-I55 HydrophobicContact CD1-CD1 4.36Å; L28-I55 HydrophobicContact CD2-CD1 4.19Å; I55-W58 HydrophobicContact CD1-CE3 3.86Å; I55-W58 HydrophobicContact CD1-CZ3 3.85Å; I55-W58 HydrophobicContact CG1-CZ3 4.49Å; I55-W58 PolarHBondContact O-N 3.17Å; I55-T59 WeakPolarHBondContact O-CB 3.43Å; I55-T59 PolarHBondContact O-N 3.46Å; I55-T59 PolarHBondContact O-OG1 2.91Å; I55-I137 HydrophobicContact CD1-CB 4.02Å; I55-I137 HydrophobicContact CD1-CD1 3.78Å; I55-I137 HydrophobicContact CD1-CG1 4.48Å; I55-I137 HydrophobicContact CD1-CG2 3.86Å; I55-I137 HydrophobicContact CG1-CB 4.11Å; I55-I137 HydrophobicContact CG1-CD1 4.44Å; I55-I137 HydrophobicContact CG1-CG2 4.32Å; I55-I137 HydrophobicContact CG2-CB 4.31Å; I55-I137 HydrophobicContact CG2-CD1 3.84Å; I55-I137 HydrophobicContact CG2-CG1 4.32Å |
| 56 | E | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.009 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65.2 | -46.6 | -177.5 | -70.6 | 173.5 | -133 | 0 | 0 | 112.9 | T8 K11 I49 Q50 G51 Q52 G54 T59 A60 | T8-E56 PolarHBondContact OG1-OE1 3.04Å; T8-E56 VanDerWaalsContact OG1-OE1 3.06Å; K11-E56 IonicContact NZ-OE1 2.95Å; K11-E56 PolarHBondContact NZ-OE1 2.98Å; I49-E56 HydrophobicContact CB-CB 4.07Å; I49-E56 HydrophobicContact CB-CG 4.24Å; I49-E56 HydrophobicContact CD1-CB 4.47Å; I49-E56 VanDerWaalsContact CD1-O 3.32Å; I49-E56 WeakPolarHBondContact CD1-O 3.31Å; I49-E56 HydrophobicContact CG2-CB 4.25Å; I49-E56 HydrophobicContact CG2-CG 4.41Å; Q50-E56 VanDerWaalsContact CA-OE2 3.23Å; Q50-E56 WeakPolarHBondContact CA-OE2 3.22Å; Q50-E56 WeakPolarHBondContact CB-OE2 3.45Å; Q50-E56 PolarHBondContact N-OE2 3.48Å; G51-E56 PolarHBondContact N-OE2 3.35Å; Q52-E56 PolarHBondContact N-OE2 2.92Å; Q52-E56 WeakPolarHBondContact O-CB 3.44Å; G54-E56 VanDerWaalsContact C-N 3.26Å; G54-E56 PolarHBondContact O-N 3.33Å; G54-E56 VanDerWaalsContact O-N 3.16Å; E56-T59 WeakPolarHBondContact O-CB 2.94Å; E56-T59 PolarHBondContact O-N 3.32Å; E56-A60 PolarHBondContact O-N 3.1Å |
| 57 | L | 98.2 | Very high | 98.3 | Very high | 3 Ų | 3 | 14.1 Ų | 14.1 | 2% | 0.016 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -68.7 | -35.1 | 176.8 | -60.9 | -162.9 | 0 | 0 | 0 | 112.1 | Q52 G54 T59 A60 E61 W88 K95 Y96 I99 | Q52-L57 VanDerWaalsContact O-CG 3.27Å; Q52-L57 WeakPolarHBondContact O-CG 3.31Å; Q52-L57 PolarHBondContact O-N 3.02Å; G54-L57 PolarHBondContact O-N 3.3Å; G54-L57 VanDerWaalsContact O-N 3.16Å; L57-T59 VanDerWaalsContact C-N 3.3Å; L57-A60 PolarHBondContact O-N 2.95Å; L57-E61 WeakPolarHBondContact O-CG 3.04Å; L57-E61 PolarHBondContact O-N 2.99Å; L57-E61 VanDerWaalsContact O-N 3.09Å; L57-W88 HydrophobicContact CD1-CH2 4.41Å; L57-W88 HydrophobicContact CD1-CZ3 4.05Å; L57-K95 HydrophobicContact CD1-CD 4.28Å; L57-K95 HydrophobicContact CD1-CG 4.41Å; L57-Y96 HydrophobicContact CD2-CD2 4.07Å; L57-I99 HydrophobicContact CB-CD1 3.64Å; L57-I99 HydrophobicContact CD1-CD1 4.11Å; L57-I99 HydrophobicContact CD2-CD1 3.74Å; L57-I99 HydrophobicContact CG-CD1 3.97Å |
| 58 | W | 98.4 | Very high | 98.2 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 1% | 0.011 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.7 | -36.8 | 174.7 | -61.7 | -35.2 | 0 | 0 | 0 | 111.6 | L15 I17 V25 L28 K29 I32 G54 I55 E61 V62 | L15-W58 HydrophobicContact CD1-CH2 4.03Å; L15-W58 HydrophobicContact CD1-CZ3 3.77Å; I17-W58 HydrophobicContact CB-CH2 4.3Å; I17-W58 HydrophobicContact CB-CZ2 4.47Å; I17-W58 HydrophobicContact CD1-CH2 3.81Å; I17-W58 HydrophobicContact CD1-CZ2 4.48Å; I17-W58 HydrophobicContact CG2-CH2 4.21Å; I17-W58 HydrophobicContact CG2-CZ2 3.93Å; V25-W58 HydrophobicContact CG1-CD2 4.49Å; V25-W58 HydrophobicContact CG1-CG 4.44Å; V25-W58 HydrophobicContact CG2-CZ2 3.84Å; L28-W58 HydrophobicContact CB-CE3 4.48Å; L28-W58 HydrophobicContact CD1-CE3 4.14Å; L28-W58 HydrophobicContact CD1-CH2 4.11Å; L28-W58 HydrophobicContact CD1-CZ3 3.59Å; K29-W58 HydrophobicContact CG-CB 4.13Å; I32-W58 HydrophobicContact CD1-CB 4.21Å; G54-W58 VanDerWaalsContact C-CE3 3.42Å; G54-W58 VanDerWaalsContact O-CD2 3.28Å; G54-W58 PolarHBondContact O-N 3.17Å; I55-W58 HydrophobicContact CD1-CE3 3.86Å; I55-W58 HydrophobicContact CD1-CZ3 3.85Å; I55-W58 HydrophobicContact CG1-CZ3 4.49Å; I55-W58 PolarHBondContact O-N 3.17Å; W58-E61 PolarHBondContact O-N 3.5Å; W58-V62 WeakPolarHBondContact O-CG2 3.33Å; W58-V62 PolarHBondContact O-N 2.91Å |
| 59 | T | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.2 | -47.2 | 171.6 | -57.5 | 0 | 0 | 0 | 0 | 110.8 | V7 I32 I36 V47 I49 I55 E56 L57 E61 V62 V63 | V7-T59 HydrophobicContact CB-CG2 3.76Å; V7-T59 HydrophobicContact CG1-CG2 3.82Å; V7-T59 VanDerWaalsContact CG1-OG1 3.28Å; V7-T59 WeakPolarHBondContact CG1-OG1 3.41Å; V7-T59 HydrophobicContact CG2-CG2 3.91Å; I32-T59 HydrophobicContact CG2-CG2 4.23Å; I36-T59 HydrophobicContact CD1-CG2 4.04Å; V47-T59 HydrophobicContact CG1-CG2 3.74Å; I49-T59 HydrophobicContact CG2-CG2 4.25Å; I55-T59 WeakPolarHBondContact O-CB 3.43Å; I55-T59 PolarHBondContact O-N 3.46Å; I55-T59 PolarHBondContact O-OG1 2.91Å; E56-T59 WeakPolarHBondContact O-CB 2.94Å; E56-T59 PolarHBondContact O-N 3.32Å; L57-T59 VanDerWaalsContact C-N 3.3Å; T59-E61 VanDerWaalsContact C-N 3.31Å; T59-E61 PolarHBondContact O-N 2.93Å; T59-V62 PolarHBondContact O-N 3.23Å; T59-V62 VanDerWaalsContact O-N 3.17Å; T59-V63 HydrophobicContact CG2-CG2 4.34Å; T59-V63 WeakPolarHBondContact O-CG2 3.45Å; T59-V63 PolarHBondContact O-N 3.5Å |
| 60 | A | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.008 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.5 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I49 E56 L57 V62 V63 I64 F75 I99 | I49-A60 HydrophobicContact CD1-CB 3.78Å; E56-A60 PolarHBondContact O-N 3.1Å; L57-A60 PolarHBondContact O-N 2.95Å; A60-V62 VanDerWaalsContact C-N 3.31Å; A60-V62 PolarHBondContact O-N 3.39Å; A60-V63 PolarHBondContact O-N 3.41Å; A60-I64 WeakPolarHBondContact O-CD1 3.42Å; A60-I64 WeakPolarHBondContact O-CG1 3.32Å; A60-I64 PolarHBondContact O-N 3.23Å; A60-F75 HydrophobicContact CB-CD2 4.46Å; A60-F75 HydrophobicContact CB-CE2 4.04Å; A60-I99 HydrophobicContact CB-CB 4.38Å; A60-I99 HydrophobicContact CB-CD1 4.02Å; A60-I99 HydrophobicContact CB-CG1 4Å; A60-I99 HydrophobicContact CB-CG2 3.51Å |
| 61 | E | 98.4 | Very high | 97.9 | Very high | 51 Ų | 51 | 38.4 Ų | 38.4 | 24% | 0.238 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.8 | -40.4 | 177.5 | -68.4 | 175.6 | 130.2 | 0 | 0 | 112 | K29 L57 W58 T59 E65 K95 I99 | K29-E61 WeakPolarHBondContact CE-OE2 3.38Å; K29-E61 IonicContact NZ-OE1 2.75Å; K29-E61 IonicContact NZ-OE2 3.91Å; K29-E61 PolarHBondContact NZ-OE2 3.4Å; L57-E61 WeakPolarHBondContact O-CG 3.04Å; L57-E61 PolarHBondContact O-N 2.99Å; L57-E61 VanDerWaalsContact O-N 3.09Å; W58-E61 PolarHBondContact O-N 3.5Å; T59-E61 VanDerWaalsContact C-N 3.31Å; T59-E61 PolarHBondContact O-N 2.93Å; E61-E65 PolarHBondContact O-N 3.36Å; E61-K95 WeakPolarHBondContact OE1-CE 3.41Å; E61-K95 IonicContact OE1-NZ 2.7Å; E61-K95 WeakPolarHBondContact OE2-CE 3.39Å; E61-K95 IonicContact OE2-NZ 2.81Å; E61-K95 PolarHBondContact OE2-NZ 3.32Å; E61-I99 HydrophobicContact CG-CD1 4.5Å |
| 62 | V | 98.7 | Very high | 97.8 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.024 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.8 | -45.1 | 175.2 | 168.9 | 0 | 0 | 0 | 0 | 111.4 | K29 I32 K33 I36 W58 T59 A60 I64 E65 L66 | K29-V62 HydrophobicContact CB-CG2 3.74Å; K29-V62 HydrophobicContact CG-CG2 3.87Å; K29-V62 WeakPolarHBondContact O-CG2 3.47Å; I32-V62 HydrophobicContact CB-CG2 4.44Å; I32-V62 HydrophobicContact CG2-CB 4.26Å; I32-V62 HydrophobicContact CG2-CG1 4.21Å; I32-V62 HydrophobicContact CG2-CG2 4.28Å; K33-V62 HydrophobicContact CB-CG1 3.66Å; K33-V62 HydrophobicContact CG-CG1 4.17Å; I36-V62 HydrophobicContact CD1-CG1 4.12Å; W58-V62 WeakPolarHBondContact O-CG2 3.33Å; W58-V62 PolarHBondContact O-N 2.91Å; T59-V62 PolarHBondContact O-N 3.23Å; T59-V62 VanDerWaalsContact O-N 3.17Å; A60-V62 VanDerWaalsContact C-N 3.31Å; A60-V62 PolarHBondContact O-N 3.39Å; V62-I64 VanDerWaalsContact C-N 3.34Å; V62-I64 PolarHBondContact O-N 3.02Å; V62-E65 WeakPolarHBondContact O-CB 3.31Å; V62-E65 PolarHBondContact O-N 3.41Å; V62-E65 VanDerWaalsContact O-N 3.14Å; V62-L66 HydrophobicContact CG1-CD1 3.85Å; V62-L66 HydrophobicContact CG1-CG 4.33Å; V62-L66 WeakPolarHBondContact O-CG 3.29Å; V62-L66 PolarHBondContact O-N 3.41Å |
| 63 | V | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -41.7 | 179.3 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | I36 V47 T59 A60 E65 L66 Q67 L73 F75 | I36-V63 HydrophobicContact CD1-CG2 3.81Å; V47-V63 HydrophobicContact CB-CG2 3.98Å; V47-V63 HydrophobicContact CG1-CG2 4Å; V47-V63 HydrophobicContact CG2-CG2 3.85Å; T59-V63 HydrophobicContact CG2-CG2 4.34Å; T59-V63 WeakPolarHBondContact O-CG2 3.45Å; T59-V63 PolarHBondContact O-N 3.5Å; A60-V63 PolarHBondContact O-N 3.41Å; V63-E65 PolarHBondContact O-N 3.32Å; V63-L66 PolarHBondContact O-N 3.46Å; V63-L66 VanDerWaalsContact O-N 3.11Å; V63-Q67 HydrophobicContact CG1-CG 4.07Å; V63-Q67 WeakPolarHBondContact O-CB 3.45Å; V63-Q67 VanDerWaalsContact O-CG 3.3Å; V63-Q67 WeakPolarHBondContact O-CG 3.32Å; V63-Q67 PolarHBondContact O-N 3.01Å; V63-L73 HydrophobicContact CG1-CD2 3.83Å; V63-L73 HydrophobicContact CG1-CG 3.98Å; V63-F75 HydrophobicContact CB-CB 4.49Å; V63-F75 HydrophobicContact CB-CD1 4.4Å; V63-F75 HydrophobicContact CG1-CB 3.87Å; V63-F75 HydrophobicContact CG1-CD1 3.73Å; V63-F75 HydrophobicContact CG1-CG 4.05Å |
| 64 | I | 98.5 | Very high | 98 | Very high | 24 Ų | 24 | 43.7 Ų | 43.7 | 12% | 0.123 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.8 | -35.1 | 175.7 | -68.2 | 163.3 | 0 | 0 | 0 | 111.5 | A60 V62 F75 H102 | A60-I64 WeakPolarHBondContact O-CD1 3.42Å; A60-I64 WeakPolarHBondContact O-CG1 3.32Å; A60-I64 PolarHBondContact O-N 3.23Å; V62-I64 VanDerWaalsContact C-N 3.34Å; V62-I64 PolarHBondContact O-N 3.02Å; I64-F75 HydrophobicContact CD1-CE1 4.4Å; I64-F75 HydrophobicContact CD1-CZ 3.97Å; I64-F75 HydrophobicContact CG1-CE1 3.69Å; I64-F75 HydrophobicContact CG1-CZ 3.78Å; I64-H102 HydrophobicContact CD1-CB 3.66Å; I64-H102 HydrophobicContact CG1-CB 3.72Å; I64-H102 HydrophobicContact CG2-CB 4.48Å |
| 65 | E | 98.2 | Very high | 98 | Very high | 87 Ų | 87 | 43.7 Ų | 43.7 | 41% | 0.407 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.5 | -49 | 172.9 | -173.3 | -171.1 | 137.6 | 0 | 0 | 111.5 | K33 E61 V62 V63 Q67 R68 | K33-E65 IonicContact NZ-OE1 2.75Å; K33-E65 PolarHBondContact NZ-OE1 2.92Å; E61-E65 PolarHBondContact O-N 3.36Å; V62-E65 WeakPolarHBondContact O-CB 3.31Å; V62-E65 PolarHBondContact O-N 3.41Å; V62-E65 VanDerWaalsContact O-N 3.14Å; V63-E65 PolarHBondContact O-N 3.32Å; E65-Q67 VanDerWaalsContact C-N 3.32Å; E65-Q67 PolarHBondContact O-N 2.84Å; E65-R68 VanDerWaalsContact O-CB 3.31Å; E65-R68 WeakPolarHBondContact O-CB 3.45Å; E65-R68 WeakPolarHBondContact O-CG 3.26Å; E65-R68 PolarHBondContact O-N 2.89Å; E65-R68 VanDerWaalsContact O-N 3.16Å |
| 66 | L | 98.6 | Very high | 98.1 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.1 | -34.6 | -178.4 | -73.1 | 173.9 | 0 | 0 | 0 | 112.9 | K33 I36 E37 L40 V62 V63 R68 T69 Y70 L73 | K33-L66 HydrophobicContact CD-CD2 4.44Å; K33-L66 HydrophobicContact CG-CD1 4.32Å; K33-L66 HydrophobicContact CG-CD2 4.02Å; K33-L66 HydrophobicContact CG-CG 4.36Å; I36-L66 HydrophobicContact CB-CD1 3.95Å; I36-L66 HydrophobicContact CG2-CD1 3.51Å; E37-L66 HydrophobicContact CG-CD2 3.95Å; L40-L66 HydrophobicContact CD1-CD1 4.34Å; V62-L66 HydrophobicContact CG1-CD1 3.85Å; V62-L66 HydrophobicContact CG1-CG 4.33Å; V62-L66 WeakPolarHBondContact O-CG 3.29Å; V62-L66 PolarHBondContact O-N 3.41Å; V63-L66 PolarHBondContact O-N 3.46Å; V63-L66 VanDerWaalsContact O-N 3.11Å; L66-R68 PolarHBondContact O-N 2.95Å; L66-T69 PolarHBondContact O-N 2.69Å; L66-Y70 HydrophobicContact CB-CD2 4.3Å; L66-Y70 HydrophobicContact CD2-CD2 4.23Å; L66-Y70 HydrophobicContact CD2-CE2 4.02Å; L66-Y70 WeakPolarHBondContact O-CD2 3.36Å; L66-Y70 PolarHBondContact O-N 2.75Å; L66-L73 HydrophobicContact CB-CD2 3.76Å; L66-L73 HydrophobicContact CD1-CD2 4.45Å |
| 67 | Q | 98.3 | Very high | 98.1 | Very high | 41 Ų | 41 | 43.7 Ų | 43.7 | 19% | 0.192 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -17.6 | 175.7 | -79.6 | -177.4 | -44 | 0 | 0 | 113.8 | V63 E65 T69 L73 D104 | V63-Q67 HydrophobicContact CG1-CG 4.07Å; V63-Q67 WeakPolarHBondContact O-CB 3.45Å; V63-Q67 VanDerWaalsContact O-CG 3.3Å; V63-Q67 WeakPolarHBondContact O-CG 3.32Å; V63-Q67 PolarHBondContact O-N 3.01Å; E65-Q67 VanDerWaalsContact C-N 3.32Å; E65-Q67 PolarHBondContact O-N 2.84Å; Q67-T69 PolarHBondContact O-N 3.45Å; Q67-L73 HydrophobicContact CG-CB 4.36Å; Q67-L73 HydrophobicContact CG-CD2 4.43Å; Q67-L73 HydrophobicContact CG-CG 4.31Å; Q67-L73 WeakPolarHBondContact CG-O 3.47Å; Q67-L73 PolarHBondContact NE2-O 3.28Å; Q67-D104 PolarHBondContact NE2-OD2 3.42Å |
| 68 | R | 97.1 | Very high | 98.1 | Very high | 201 Ų | 201 | 44.1 Ų | 44.1 | 76% | 0.758 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -19.3 | 173 | -58.9 | 176.1 | -178.6 | 178.7 | 0.7 | 113.4 | E65 L66 | E65-R68 VanDerWaalsContact O-CB 3.31Å; E65-R68 WeakPolarHBondContact O-CB 3.45Å; E65-R68 WeakPolarHBondContact O-CG 3.26Å; E65-R68 PolarHBondContact O-N 2.89Å; E65-R68 VanDerWaalsContact O-N 3.16Å; L66-R68 PolarHBondContact O-N 2.95Å |
| 69 | T | 97.4 | Very high | 98.1 | Very high | 109 Ų | 109 | 44.2 Ų | 44.2 | 67% | 0.669 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | -32.2 | -178.5 | -49.5 | 0 | 0 | 0 | 0 | 111.2 | L66 Q67 | L66-T69 PolarHBondContact O-N 2.69Å; Q67-T69 PolarHBondContact O-N 3.45Å |
| 70 | Y | 97.8 | Very high | 98 | Very high | 68 Ų | 68 | 44.2 Ų | 44.2 | 27% | 0.267 | 22% | 0.217 | S | C | . | . | trans | -113.9 | 84.9 | -176.1 | -61.5 | -88.9 | 0 | 0 | 0 | 111.1 | L40 L66 S72 L73 | L40-Y70 HydrophobicContact CB-CD1 4.45Å; L40-Y70 HydrophobicContact CB-CE1 4.21Å; L40-Y70 HydrophobicContact CD1-CD1 3.97Å; L40-Y70 HydrophobicContact CD1-CD2 3.77Å; L40-Y70 HydrophobicContact CD1-CE1 4.02Å; L40-Y70 HydrophobicContact CD1-CE2 3.85Å; L40-Y70 HydrophobicContact CD1-CG 3.84Å; L40-Y70 HydrophobicContact CD2-CD1 4.08Å; L40-Y70 HydrophobicContact CD2-CG 4.23Å; L40-Y70 HydrophobicContact CG-CD1 4.42Å; L66-Y70 HydrophobicContact CB-CD2 4.3Å; L66-Y70 HydrophobicContact CD2-CD2 4.23Å; L66-Y70 HydrophobicContact CD2-CE2 4.02Å; L66-Y70 WeakPolarHBondContact O-CD2 3.36Å; L66-Y70 PolarHBondContact O-N 2.75Å; Y70-S72 PolarHBondContact O-N 3.22Å; Y70-S72 VanDerWaalsContact O-N 3.11Å; Y70-L73 WeakPolarHBondContact O-CB 3.34Å; Y70-L73 PolarHBondContact O-N 2.68Å | ||
| 71 | D | 94.5 | Very high | 98 | Very high | 153 Ų | 153 | 44.9 Ų | 44.9 | 82% | 0.818 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -24.3 | -177 | -70.3 | -20 | 0 | 0 | 0 | 114.3 | ||
| 72 | S | 95 | Very high | 98 | Very high | 78 Ų | 78 | 47 Ų | 47 | 55% | 0.545 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -16.6 | 178.3 | 56.7 | 0 | 0 | 0 | 0 | 113.7 | Y70 | Y70-S72 PolarHBondContact O-N 3.22Å; Y70-S72 VanDerWaalsContact O-N 3.11Å |
| 73 | L | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | trans | -73.4 | 130.2 | -179.9 | 178.7 | 60.9 | 0 | 0 | 0 | 110 | I36 L40 L44 V47 V63 L66 Q67 Y70 | I36-L73 HydrophobicContact CG2-CD2 4.5Å; L40-L73 HydrophobicContact CD1-CD2 4.24Å; L40-L73 HydrophobicContact CD2-CB 4.15Å; L40-L73 HydrophobicContact CD2-CD1 4.08Å; L40-L73 HydrophobicContact CD2-CD2 4.28Å; L40-L73 HydrophobicContact CD2-CG 4.39Å; L44-L73 HydrophobicContact CD2-CD1 4.16Å; L44-L73 HydrophobicContact CG-CD1 4.43Å; V47-L73 HydrophobicContact CG2-CD1 4.06Å; V63-L73 HydrophobicContact CG1-CD2 3.83Å; V63-L73 HydrophobicContact CG1-CG 3.98Å; L66-L73 HydrophobicContact CB-CD2 3.76Å; L66-L73 HydrophobicContact CD1-CD2 4.45Å; Q67-L73 HydrophobicContact CG-CB 4.36Å; Q67-L73 HydrophobicContact CG-CD2 4.43Å; Q67-L73 HydrophobicContact CG-CG 4.31Å; Q67-L73 WeakPolarHBondContact CG-O 3.47Å; Q67-L73 PolarHBondContact NE2-O 3.28Å; Y70-L73 WeakPolarHBondContact O-CB 3.34Å; Y70-L73 PolarHBondContact O-N 2.68Å | ||
| 74 | K | 98.8 | Very high | 97.6 | Very high | 84 Ų | 84 | 49 Ų | 49 | 37% | 0.365 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 158.6 | 177.5 | -66 | 174.9 | -173.5 | 168.3 | 0 | 110.5 | E45 W46 V47 D104 | E45-K74 PolarHBondContact O-N 3.09Å; W46-K74 CarbonylContact C-O 3.57Å; W46-K74 WeakPolarHBondContact CA-O 3.13Å; W46-K74 HydrophobicContact CD2-CB 3.71Å; W46-K74 HydrophobicContact CD2-CD 4.42Å; W46-K74 HydrophobicContact CE3-CB 3.58Å; W46-K74 HydrophobicContact CG-CB 4.43Å; W46-K74 HydrophobicContact CH2-CB 3.88Å; W46-K74 HydrophobicContact CH2-CD 3.72Å; W46-K74 HydrophobicContact CH2-CG 4.4Å; W46-K74 HydrophobicContact CZ2-CB 4Å; W46-K74 HydrophobicContact CZ2-CD 3.35Å; W46-K74 HydrophobicContact CZ2-CG 4.32Å; W46-K74 HydrophobicContact CZ3-CB 3.66Å; W46-K74 HydrophobicContact CZ3-CD 4.38Å; V47-K74 PolarHBondContact N-O 3.37Å; K74-D104 WeakPolarHBondContact CA-OD2 3.47Å; K74-D104 HydrophobicContact CB-CB 4.01Å; K74-D104 WeakPolarHBondContact CB-OD2 3.23Å; K74-D104 HydrophobicContact CG-CB 4.27Å |
| 75 | F | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.009 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 149.1 | 167.8 | 77.2 | -75.9 | 0 | 0 | 0 | 114 | V47 A60 V63 I64 V77 I99 H102 A103 D104 Y105 | V47-F75 HydrophobicContact CB-CB 4.12Å; V47-F75 CarbonylContact O-C 3.53Å; V47-F75 WeakPolarHBondContact O-CA 3.33Å; V47-F75 VanDerWaalsContact O-CB 3.26Å; V47-F75 WeakPolarHBondContact O-CB 3.42Å; A60-F75 HydrophobicContact CB-CD2 4.46Å; A60-F75 HydrophobicContact CB-CE2 4.04Å; V63-F75 HydrophobicContact CB-CB 4.49Å; V63-F75 HydrophobicContact CB-CD1 4.4Å; V63-F75 HydrophobicContact CG1-CB 3.87Å; V63-F75 HydrophobicContact CG1-CD1 3.73Å; V63-F75 HydrophobicContact CG1-CG 4.05Å; I64-F75 HydrophobicContact CD1-CE1 4.4Å; I64-F75 HydrophobicContact CD1-CZ 3.97Å; I64-F75 HydrophobicContact CG1-CE1 3.69Å; I64-F75 HydrophobicContact CG1-CZ 3.78Å; F75-V77 HydrophobicContact CD2-CG2 4.21Å; F75-V77 HydrophobicContact CE2-CG2 4Å; F75-I99 HydrophobicContact CE2-CG2 4.02Å; F75-H102 HydrophobicContact CE1-CB 4.36Å; F75-H102 VanDerWaalsContact CE1-O 3.26Å; F75-H102 WeakPolarHBondContact CE1-O 3.28Å; F75-H102 HydrophobicContact CZ-CB 4.2Å; F75-A103 HydrophobicContact CD2-CB 4.17Å; F75-A103 HydrophobicContact CE1-CB 4.43Å; F75-A103 HydrophobicContact CE2-CB 3.56Å; F75-A103 HydrophobicContact CZ-CB 3.73Å; F75-A103 VanDerWaalsContact CZ-N 3.32Å; F75-D104 PolarHBondContact N-OD2 2.85Å; F75-D104 WeakPolarHBondContact O-CB 3.34Å; F75-D104 PolarHBondContact O-N 3.16Å; F75-Y105 PolarHBondContact O-N 3.01Å |
| 76 | A | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 2% | 0.017 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 139.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | W46 V47 L48 I49 I78 Y105 | W46-A76 HydrophobicContact CE3-CB 4.3Å; W46-A76 HydrophobicContact CZ3-CB 4.19Å; V47-A76 PolarHBondContact O-N 2.97Å; L48-A76 HydrophobicContact CD2-CB 3.67Å; I49-A76 PolarHBondContact N-O 2.88Å; A76-I78 HydrophobicContact CB-CD1 4.38Å; A76-I78 HydrophobicContact CB-CG1 4.21Å; A76-Y105 CarbonylContact C-O 3.57Å; A76-Y105 VanDerWaalsContact CA-O 3.26Å; A76-Y105 WeakPolarHBondContact CA-O 3.09Å; A76-Y105 HydrophobicContact CB-CD1 4.11Å; A76-Y105 HydrophobicContact CB-CG 4.46Å |
| 77 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 107.1 | 171.3 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | I49 F75 T79 Y96 I99 A103 Y105 V106 D107 | I49-V77 HydrophobicContact CD1-CG2 4.11Å; I49-V77 HydrophobicContact CG1-CG2 4.03Å; I49-V77 WeakPolarHBondContact O-CA 3.33Å; F75-V77 HydrophobicContact CD2-CG2 4.21Å; F75-V77 HydrophobicContact CE2-CG2 4Å; V77-T79 HydrophobicContact CG1-CG2 4.02Å; V77-Y96 HydrophobicContact CG1-CE2 4.05Å; V77-I99 HydrophobicContact CG2-CG2 4.19Å; V77-A103 HydrophobicContact CG2-CB 3.96Å; V77-Y105 PolarHBondContact N-O 3.32Å; V77-V106 HydrophobicContact CB-CG2 4.43Å; V77-V106 WeakPolarHBondContact O-CA 3.36Å; V77-D107 PolarHBondContact O-N 3.39Å |
| 78 | I | 98.7 | Very high | 97.1 | Very high | 13 Ų | 13 | 60 Ų | 60 | 7% | 0.067 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 95 | -176.7 | -50.5 | 179.4 | 0 | 0 | 0 | 108.7 | I49 Q50 A76 Y105 D107 I109 F126 M127 | I49-I78 PolarHBondContact O-N 3.16Å; Q50-I78 WeakPolarHBondContact CA-O 3.45Å; A76-I78 HydrophobicContact CB-CD1 4.38Å; A76-I78 HydrophobicContact CB-CG1 4.21Å; I78-Y105 HydrophobicContact CG1-CD1 4.36Å; I78-Y105 HydrophobicContact CG1-CE1 4.45Å; I78-D107 CarbonylContact C-O 3.35Å; I78-D107 WeakPolarHBondContact CA-O 3.46Å; I78-I109 HydrophobicContact CG2-CD1 3.46Å; I78-I109 VanDerWaalsContact CG2-CD1 3.46Å; I78-I109 HydrophobicContact CG2-CG1 4.02Å; I78-F126 HydrophobicContact CD1-CD1 4.4Å; I78-F126 HydrophobicContact CD1-CE1 3.62Å; I78-F126 HydrophobicContact CD1-CZ 4.47Å; I78-F126 HydrophobicContact CG2-CD1 4.21Å; I78-F126 HydrophobicContact CG2-CE1 4.06Å; I78-M127 HydrophobicContact CB-CE 3.7Å; I78-M127 HydrophobicContact CB-SD 4.34Å; I78-M127 HydrophobicContact CD1-SD 4.34Å; I78-M127 HydrophobicContact CG1-CE 4.33Å |
| 79 | T | 98.5 | Very high | 97 | Very high | 4 Ų | 4 | 54.7 Ų | 54.7 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 152.7 | -170.3 | 73.6 | 0 | 0 | 0 | 0 | 111.2 | V77 F81 H84 Y96 D107 S108 I109 | V77-T79 HydrophobicContact CG1-CG2 4.02Å; T79-F81 VanDerWaalsContact C-N 3.26Å; T79-F81 PolarHBondContact O-N 2.8Å; T79-F81 PolarHBondContact OG1-O 2.88Å; T79-H84 WeakPolarHBondContact CG2-CE1 3.39Å; T79-Y96 WeakPolarHBondContact CG2-OH 3.46Å; T79-D107 PolarHBondContact N-O 2.84Å; T79-S108 CarbonylContact O-C 3.34Å; T79-S108 VanDerWaalsContact O-CA 3.29Å; T79-S108 WeakPolarHBondContact O-CA 3.46Å; T79-S108 WeakPolarHBondContact OG1-CB 3.35Å; T79-S108 PolarHBondContact OG1-OG 3.47Å; T79-I109 PolarHBondContact O-N 3.03Å |
| 80 | P | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | -31.1 | 177.8 | -24.3 | 35 | 0 | 0 | 0 | 113.5 | F110 F120 A123 | P80-F110 WeakPolarHBondContact O-CB 3.49Å; P80-F110 WeakPolarHBondContact O-CD2 3.44Å; P80-F110 PolarHBondContact O-N 2.81Å; P80-F120 HydrophobicContact CB-CD1 4.01Å; P80-F120 HydrophobicContact CB-CE1 4.37Å; P80-F120 HydrophobicContact CB-CG 4.49Å; P80-F120 HydrophobicContact CG-CD1 3.67Å; P80-F120 HydrophobicContact CG-CE1 3.97Å; P80-A123 HydrophobicContact CB-CB 3.74Å; P80-A123 HydrophobicContact CG-CB 3.74Å |
| 81 | F | 98.3 | Very high | 96.8 | Very high | 16 Ų | 16 | 59.3 Ų | 59.3 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 166 | -178.9 | 54.1 | -94.9 | 0 | 0 | 0 | 110.6 | T79 H84 F110 T112 Y114 Q119 F120 | T79-F81 VanDerWaalsContact C-N 3.26Å; T79-F81 PolarHBondContact O-N 2.8Å; T79-F81 PolarHBondContact OG1-O 2.88Å; F81-H84 HydrophobicContact CD2-CB 4.04Å; F81-H84 VanDerWaalsContact CE2-CA 3.45Å; F81-H84 HydrophobicContact CE2-CB 3.58Å; F81-H84 HydrophobicContact CZ-CB 3.83Å; F81-F110 WeakPolarHBondContact CA-O 3.17Å; F81-F110 HydrophobicContact CB-CB 4.09Å; F81-T112 WeakPolarHBondContact CB-O 3.48Å; F81-Y114 AromaticContact CD1-CD2 3.99Å; F81-Y114 HydrophobicContact CD1-CD2 3.99Å; F81-Y114 AromaticContact CE1-CD2 3.5Å; F81-Y114 HydrophobicContact CE1-CD2 3.5Å; F81-Y114 HydrophobicContact CE1-CE2 4.24Å; F81-Y114 HydrophobicContact CE1-CG 4.38Å; F81-Y114 HydrophobicContact CE2-CD2 4.27Å; F81-Y114 HydrophobicContact CE2-CG 4.39Å; F81-Y114 AromaticContact CZ-CD2 3.67Å; F81-Y114 HydrophobicContact CZ-CD2 3.67Å; F81-Y114 HydrophobicContact CZ-CG 4.14Å; F81-Q119 HydrophobicContact CD1-CB 4.04Å; F81-F120 HydrophobicContact CE1-CD2 4.46Å; F81-F120 HydrophobicContact CE1-CE1 4.01Å; F81-F120 AromaticContact CE1-CE2 3.76Å; F81-F120 HydrophobicContact CE1-CE2 3.76Å; F81-F120 AromaticContact CE1-CZ 3.5Å; F81-F120 HydrophobicContact CE1-CZ 3.5Å; F81-F120 HydrophobicContact CZ-CE2 4.43Å; F81-F120 AromaticContact CZ-CZ 3.99Å; F81-F120 HydrophobicContact CZ-CZ 3.99Å |
| 82 | Q | 97.2 | Very high | 96.8 | Very high | 94 Ų | 94 | 53.4 Ų | 53.4 | 44% | 0.439 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 141.9 | 176.7 | -72.3 | -177.5 | -11.4 | 0 | 0 | 111.8 | F110 H111 T112 | Q82-F110 PolarHBondContact N-O 3.15Å; Q82-H111 PolarHBondContact OE1-O 2.9Å; Q82-T112 PolarHBondContact N-O 2.9Å |
| 83 | G | 95.4 | Very high | 97 | Very high | 28 Ų | 28 | 53.3 Ų | 53.3 | 29% | 0.289 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 24.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | T85 E86 | G83-T85 PolarHBondContact O-N 3.06Å; G83-T85 VanDerWaalsContact O-N 3.11Å; G83-E86 WeakPolarHBondContact O-CB 3.28Å; G83-E86 VanDerWaalsContact O-CG 3.23Å; G83-E86 WeakPolarHBondContact O-CG 3.28Å; G83-E86 PolarHBondContact O-N 2.81Å; G83-E86 VanDerWaalsContact O-N 3.07Å |
| 84 | H | 95.1 | Very high | 96.9 | Very high | 18 Ų | 18 | 57 Ų | 57 | 8% | 0.083 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -16.4 | 179.7 | 75 | -65.5 | 0 | 0 | 0 | 114.2 | G51 T79 F81 W88 Y96 | G51-H84 PolarHBondContact O-NE2 3.28Å; T79-H84 WeakPolarHBondContact CG2-CE1 3.39Å; F81-H84 HydrophobicContact CD2-CB 4.04Å; F81-H84 VanDerWaalsContact CE2-CA 3.45Å; F81-H84 HydrophobicContact CE2-CB 3.58Å; F81-H84 HydrophobicContact CZ-CB 3.83Å; H84-W88 PolarHBondContact O-NE1 3.47Å; H84-Y96 AromaticContact CE1-CE1 3.93Å; H84-Y96 AromaticContact CE1-CE2 3.66Å; H84-Y96 AromaticContact CE1-CZ 3.37Å; H84-Y96 PolarHBondContact CE1-OH 2.92Å; H84-Y96 AromaticContact NE2-CE2 3.66Å; H84-Y96 AromaticContact NE2-CZ 3.87Å |
| 85 | T | 96.3 | Very high | 96.7 | Very high | 22 Ų | 22 | 54 Ų | 54 | 14% | 0.135 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -4.6 | 175.7 | 62.9 | 0 | 0 | 0 | 0 | 114.5 | G83 K87 W88 Y96 | G83-T85 PolarHBondContact O-N 3.06Å; G83-T85 VanDerWaalsContact O-N 3.11Å; T85-K87 PolarHBondContact O-N 2.92Å; T85-W88 HydrophobicContact CG2-CD2 4.01Å; T85-W88 HydrophobicContact CG2-CE3 3.62Å; T85-W88 HydrophobicContact CG2-CH2 3.88Å; T85-W88 HydrophobicContact CG2-CZ2 4.19Å; T85-W88 HydrophobicContact CG2-CZ3 3.57Å; T85-W88 VanDerWaalsContact O-CB 3.28Å; T85-W88 WeakPolarHBondContact O-CB 3.47Å; T85-W88 PolarHBondContact O-N 2.88Å; T85-Y96 HydrophobicContact CG2-CD1 3.58Å; T85-Y96 HydrophobicContact CG2-CD2 4.04Å; T85-Y96 HydrophobicContact CG2-CE1 3.95Å; T85-Y96 HydrophobicContact CG2-CE2 4.39Å; T85-Y96 HydrophobicContact CG2-CG 3.64Å |
| 86 | E | 95.4 | Very high | 96.7 | Very high | 140 Ų | 140 | 55 Ų | 55 | 65% | 0.654 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -29.7 | -172.9 | -75.5 | 174.8 | -177.8 | 0 | 0 | 113.7 | G83 | G83-E86 WeakPolarHBondContact O-CB 3.28Å; G83-E86 VanDerWaalsContact O-CG 3.23Å; G83-E86 WeakPolarHBondContact O-CG 3.28Å; G83-E86 PolarHBondContact O-N 2.81Å; G83-E86 VanDerWaalsContact O-N 3.07Å |
| 87 | K | 94.2 | Very high | 96.6 | Very high | 196 Ų | 196 | 56.6 Ų | 56.6 | 85% | 0.852 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -1.3 | 179.6 | -64.6 | -175.5 | -179.7 | 177.8 | 0 | 113.8 | T85 | T85-K87 PolarHBondContact O-N 2.92Š|
| 88 | W | 95.8 | Very high | 96.6 | Very high | 29 Ų | 29 | 60.4 Ų | 60.4 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -80.9 | 155.8 | 179.4 | -60.3 | 1.8 | 0 | 0 | 0 | 110.1 | G51 M53 L57 H84 T85 N92 Q93 Y96 | G51-W88 VanDerWaalsContact O-CH2 3.22Å; G51-W88 WeakPolarHBondContact O-CH2 3.28Å; M53-W88 HydrophobicContact CE-CD2 4.2Å; M53-W88 HydrophobicContact CE-CG 4.26Å; M53-W88 HydrophobicContact CE-CZ2 4.29Å; M53-W88 HydrophobicContact CG-CD2 4.04Å; M53-W88 HydrophobicContact CG-CE3 3.97Å; M53-W88 HydrophobicContact CG-CH2 3.64Å; M53-W88 HydrophobicContact CG-CZ2 3.77Å; M53-W88 HydrophobicContact CG-CZ3 3.76Å; M53-W88 HydrophobicContact SD-CD2 3.99Å; M53-W88 HydrophobicContact SD-CE3 4.32Å; M53-W88 HydrophobicContact SD-CG 4.25Å; L57-W88 HydrophobicContact CD1-CH2 4.41Å; L57-W88 HydrophobicContact CD1-CZ3 4.05Å; H84-W88 PolarHBondContact O-NE1 3.47Å; T85-W88 HydrophobicContact CG2-CD2 4.01Å; T85-W88 HydrophobicContact CG2-CE3 3.62Å; T85-W88 HydrophobicContact CG2-CH2 3.88Å; T85-W88 HydrophobicContact CG2-CZ2 4.19Å; T85-W88 HydrophobicContact CG2-CZ3 3.57Å; T85-W88 VanDerWaalsContact O-CB 3.28Å; T85-W88 WeakPolarHBondContact O-CB 3.47Å; T85-W88 PolarHBondContact O-N 2.88Å; W88-N92 HydrophobicContact CB-CB 3.96Å; W88-N92 HydrophobicContact CD2-CB 4.45Å; W88-N92 HydrophobicContact CE3-CB 3.95Å; W88-Q93 HydrophobicContact CB-CG 4.07Å; W88-Q93 PolarHBondContact O-NE2 2.95Å; W88-Y96 HydrophobicContact CZ3-CD2 4.27Å; W88-Y96 HydrophobicContact CZ3-CG 4.33Å |
| 89 | N | 95.5 | Very high | 96.6 | Very high | 91 Ų | 91 | 59.9 Ų | 59.9 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | trans | -67.2 | 163 | 171.7 | 64.1 | 41.6 | 0 | 0 | 0 | 111.2 | H91 N92 Q93 | N89-H91 PolarHBondContact O-N 3.24Å; N89-H91 WeakPolarHBondContact OD1-CB 3.27Å; N89-H91 PolarHBondContact OD1-N 2.89Å; N89-N92 PolarHBondContact ND2-ND2 2.84Å; N89-N92 PolarHBondContact O-N 3.48Å; N89-N92 VanDerWaalsContact O-N 3.16Å; N89-N92 WeakPolarHBondContact OD1-CB 3.39Å; N89-N92 VanDerWaalsContact OD1-CG 3.29Å; N89-N92 PolarHBondContact OD1-N 3.47Å; N89-N92 PolarHBondContact OD1-ND2 3.38Å; N89-Q93 WeakPolarHBondContact O-CG 3.45Å; N89-Q93 PolarHBondContact O-N 3Å | ||
| 90 | E | 96.3 | Very high | 96.5 | Very high | 163 Ų | 163 | 62.4 Ų | 62.4 | 76% | 0.762 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -57.4 | -35.1 | -176.6 | -66.2 | -177.2 | 170 | 0 | 0 | 113.3 | Q93 S94 | E90-Q93 PolarHBondContact O-N 2.77Å; E90-S94 VanDerWaalsContact O-CB 3.31Å; E90-S94 WeakPolarHBondContact O-CB 3.23Å; E90-S94 PolarHBondContact O-N 2.98Å; E90-S94 PolarHBondContact O-OG 3.05Å |
| 91 | H | 94.7 | Very high | 96.5 | Very high | 110 Ų | 110 | 70.3 Ų | 70.3 | 51% | 0.509 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.3 | -51.4 | 177 | 178.7 | 76.3 | 0 | 0 | 0 | 111.4 | D20 N89 Q93 S94 K95 | D20-H91 IonicContact OD2-CD2 3.52Å; D20-H91 IonicContact OD2-CE1 3.64Å; D20-H91 PolarHBondContact OD2-CE1 3.01Å; D20-H91 IonicContact OD2-NE2 2.68Å; D20-H91 PolarHBondContact OD2-NE2 3.11Å; N89-H91 PolarHBondContact O-N 3.24Å; N89-H91 WeakPolarHBondContact OD1-CB 3.27Å; N89-H91 PolarHBondContact OD1-N 2.89Å; H91-Q93 PolarHBondContact O-N 3.5Å; H91-S94 PolarHBondContact O-N 2.88Å; H91-K95 PolarHBondContact O-N 2.78Å |
| 92 | N | 95.3 | Very high | 96.5 | Very high | 30 Ų | 30 | 73.8 Ų | 73.8 | 16% | 0.16 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68 | -35.9 | 179 | -71 | -21.7 | 0 | 0 | 0 | 112.3 | M53 W88 N89 K95 Y96 | M53-N92 HydrophobicContact SD-CB 4.15Å; M53-N92 PolarHBondContact SD-ND2 3.33Å; W88-N92 HydrophobicContact CB-CB 3.96Å; W88-N92 HydrophobicContact CD2-CB 4.45Å; W88-N92 HydrophobicContact CE3-CB 3.95Å; N89-N92 PolarHBondContact ND2-ND2 2.84Å; N89-N92 PolarHBondContact O-N 3.48Å; N89-N92 VanDerWaalsContact O-N 3.16Å; N89-N92 WeakPolarHBondContact OD1-CB 3.39Å; N89-N92 VanDerWaalsContact OD1-CG 3.29Å; N89-N92 PolarHBondContact OD1-N 3.47Å; N89-N92 PolarHBondContact OD1-ND2 3.38Å; N92-K95 PolarHBondContact O-N 3.15Å; N92-Y96 WeakPolarHBondContact O-CB 3.29Å; N92-Y96 PolarHBondContact O-N 3.5Å |
| 93 | Q | 97.7 | Very high | 96.6 | Very high | 76 Ų | 76 | 70.2 Ų | 70.2 | 36% | 0.355 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 172.6 | -69.9 | -174.1 | 37.5 | 0 | 0 | 111.5 | W88 N89 E90 H91 Y96 A97 | W88-Q93 HydrophobicContact CB-CG 4.07Å; W88-Q93 PolarHBondContact O-NE2 2.95Å; N89-Q93 WeakPolarHBondContact O-CG 3.45Å; N89-Q93 PolarHBondContact O-N 3Å; E90-Q93 PolarHBondContact O-N 2.77Å; H91-Q93 PolarHBondContact O-N 3.5Å; Q93-Y96 PolarHBondContact O-N 3.47Å; Q93-A97 VanDerWaalsContact O-CB 3.29Å; Q93-A97 WeakPolarHBondContact O-CB 3.35Å; Q93-A97 PolarHBondContact O-N 3.29Å |
| 94 | S | 96.4 | Very high | 96.8 | Very high | 78 Ų | 78 | 72.5 Ų | 72.5 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65 | -41.7 | 177.9 | -61 | 0 | 0 | 0 | 0 | 111.7 | E90 H91 A97 N98 | E90-S94 VanDerWaalsContact O-CB 3.31Å; E90-S94 WeakPolarHBondContact O-CB 3.23Å; E90-S94 PolarHBondContact O-N 2.98Å; E90-S94 PolarHBondContact O-OG 3.05Å; H91-S94 PolarHBondContact O-N 2.88Å; S94-A97 PolarHBondContact O-N 3.35Å; S94-N98 PolarHBondContact O-N 3.4Å |
| 95 | K | 96 | Very high | 96.9 | Very high | 23 Ų | 23 | 77 Ų | 77 | 10% | 0.1 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.4 | -50.5 | 173.7 | -175.5 | 176.2 | -172.9 | 171.6 | 0 | 111.5 | D20 L57 E61 H91 N92 A97 N98 I99 | D20-K95 IonicContact OD1-NZ 2.66Å; D20-K95 PolarHBondContact OD1-NZ 2.94Å; L57-K95 HydrophobicContact CD1-CD 4.28Å; L57-K95 HydrophobicContact CD1-CG 4.41Å; E61-K95 WeakPolarHBondContact OE1-CE 3.41Å; E61-K95 IonicContact OE1-NZ 2.7Å; E61-K95 WeakPolarHBondContact OE2-CE 3.39Å; E61-K95 IonicContact OE2-NZ 2.81Å; E61-K95 PolarHBondContact OE2-NZ 3.32Å; H91-K95 PolarHBondContact O-N 2.78Å; N92-K95 PolarHBondContact O-N 3.15Å; K95-A97 PolarHBondContact O-N 2.81Å; K95-N98 WeakPolarHBondContact O-CB 3.37Å; K95-N98 PolarHBondContact O-N 3.37Å; K95-I99 HydrophobicContact CG-CD1 4.38Å; K95-I99 PolarHBondContact O-N 3.23Å; K95-I99 VanDerWaalsContact O-N 3.1Å |
| 96 | Y | 98 | Very high | 97 | Very high | 21 Ų | 21 | 79.2 Ų | 79.2 | 8% | 0.082 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 176.4 | -178.6 | -97.8 | 0 | 0 | 0 | 112.3 | L57 V77 T79 H84 T85 W88 N92 Q93 N98 I99 I100 | L57-Y96 HydrophobicContact CD2-CD2 4.07Å; V77-Y96 HydrophobicContact CG1-CE2 4.05Å; T79-Y96 WeakPolarHBondContact CG2-OH 3.46Å; H84-Y96 AromaticContact CE1-CE1 3.93Å; H84-Y96 AromaticContact CE1-CE2 3.66Å; H84-Y96 AromaticContact CE1-CZ 3.37Å; H84-Y96 PolarHBondContact CE1-OH 2.92Å; H84-Y96 AromaticContact NE2-CE2 3.66Å; H84-Y96 AromaticContact NE2-CZ 3.87Å; T85-Y96 HydrophobicContact CG2-CD1 3.58Å; T85-Y96 HydrophobicContact CG2-CD2 4.04Å; T85-Y96 HydrophobicContact CG2-CE1 3.95Å; T85-Y96 HydrophobicContact CG2-CE2 4.39Å; T85-Y96 HydrophobicContact CG2-CG 3.64Å; W88-Y96 HydrophobicContact CZ3-CD2 4.27Å; W88-Y96 HydrophobicContact CZ3-CG 4.33Å; N92-Y96 WeakPolarHBondContact O-CB 3.29Å; N92-Y96 PolarHBondContact O-N 3.5Å; Q93-Y96 PolarHBondContact O-N 3.47Å; Y96-N98 PolarHBondContact O-N 2.99Å; Y96-I99 WeakPolarHBondContact O-CB 3.46Å; Y96-I99 PolarHBondContact O-N 2.66Å; Y96-I100 HydrophobicContact CD1-CD1 4.27Å; Y96-I100 HydrophobicContact CD1-CG2 4.03Å; Y96-I100 HydrophobicContact CD2-CG2 4.47Å; Y96-I100 HydrophobicContact CE1-CD1 3.99Å; Y96-I100 HydrophobicContact CE1-CG2 3.39Å; Y96-I100 HydrophobicContact CE2-CG2 3.89Å; Y96-I100 PolarHBondContact O-N 2.83Å; Y96-I100 WeakPolarHBondContact OH-CG2 3.47Å |
| 97 | A | 97.9 | Very high | 97.2 | Very high | 36 Ų | 36 | 75.2 Ų | 75.2 | 30% | 0.298 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.7 | -31 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q93 S94 K95 I100 K101 | Q93-A97 VanDerWaalsContact O-CB 3.29Å; Q93-A97 WeakPolarHBondContact O-CB 3.35Å; Q93-A97 PolarHBondContact O-N 3.29Å; S94-A97 PolarHBondContact O-N 3.35Å; K95-A97 PolarHBondContact O-N 2.81Å; A97-I100 WeakPolarHBondContact O-CG1 3.44Å; A97-K101 WeakPolarHBondContact O-CD 3.22Å; A97-K101 VanDerWaalsContact O-CG 3.26Å; A97-K101 WeakPolarHBondContact O-CG 3.18Å |
| 98 | N | 97.7 | Very high | 97.4 | Very high | 81 Ų | 81 | 66.7 Ų | 66.7 | 43% | 0.433 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -71.5 | -41.9 | 172.1 | -173.4 | 61 | 0 | 0 | 0 | 112 | S94 K95 Y96 K101 H102 | S94-N98 PolarHBondContact O-N 3.4Å; K95-N98 WeakPolarHBondContact O-CB 3.37Å; K95-N98 PolarHBondContact O-N 3.37Å; Y96-N98 PolarHBondContact O-N 2.99Å; N98-K101 PolarHBondContact O-N 3.44Å; N98-H102 PolarHBondContact O-ND1 2.71Å; N98-H102 PolarHBondContact OD1-CE1 3.07Å |
| 99 | I | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61 | -50.8 | 178.6 | -73 | 165.8 | 0 | 0 | 0 | 111.2 | L57 A60 E61 F75 V77 K95 Y96 K101 H102 A103 | L57-I99 HydrophobicContact CB-CD1 3.64Å; L57-I99 HydrophobicContact CD1-CD1 4.11Å; L57-I99 HydrophobicContact CD2-CD1 3.74Å; L57-I99 HydrophobicContact CG-CD1 3.97Å; A60-I99 HydrophobicContact CB-CB 4.38Å; A60-I99 HydrophobicContact CB-CD1 4.02Å; A60-I99 HydrophobicContact CB-CG1 4Å; A60-I99 HydrophobicContact CB-CG2 3.51Å; E61-I99 HydrophobicContact CG-CD1 4.5Å; F75-I99 HydrophobicContact CE2-CG2 4.02Å; V77-I99 HydrophobicContact CG2-CG2 4.19Å; K95-I99 HydrophobicContact CG-CD1 4.38Å; K95-I99 PolarHBondContact O-N 3.23Å; K95-I99 VanDerWaalsContact O-N 3.1Å; Y96-I99 WeakPolarHBondContact O-CB 3.46Å; Y96-I99 PolarHBondContact O-N 2.66Å; I99-K101 PolarHBondContact O-N 3.09Å; I99-K101 VanDerWaalsContact O-N 3.17Å; I99-H102 PolarHBondContact O-N 3.16Å; I99-A103 PolarHBondContact O-N 2.75Å; I99-A103 VanDerWaalsContact O-N 3.12Å |
| 100 | I | 97.9 | Very high | 97.6 | Very high | 58 Ų | 58 | 65.1 Ų | 65.1 | 30% | 0.297 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.3 | -22.6 | -178.3 | 62.7 | -178.7 | 0 | 0 | 0 | 113.8 | Y96 A97 H102 V106 | Y96-I100 HydrophobicContact CD1-CD1 4.27Å; Y96-I100 HydrophobicContact CD1-CG2 4.03Å; Y96-I100 HydrophobicContact CD2-CG2 4.47Å; Y96-I100 HydrophobicContact CE1-CD1 3.99Å; Y96-I100 HydrophobicContact CE1-CG2 3.39Å; Y96-I100 HydrophobicContact CE2-CG2 3.89Å; Y96-I100 PolarHBondContact O-N 2.83Å; Y96-I100 WeakPolarHBondContact OH-CG2 3.47Å; A97-I100 WeakPolarHBondContact O-CG1 3.44Å; I100-H102 VanDerWaalsContact C-N 3.27Å; I100-V106 HydrophobicContact CB-CG2 4.21Å; I100-V106 HydrophobicContact CG2-CG1 4.37Å; I100-V106 HydrophobicContact CG2-CG2 4.42Å |
| 101 | K | 98 | Very high | 97.6 | Very high | 166 Ų | 166 | 63.1 Ų | 63.1 | 72% | 0.722 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -70.5 | -25.3 | 174.3 | -76.3 | 171.4 | -174.8 | 177.6 | 0 | 112.8 | A97 N98 I99 | A97-K101 WeakPolarHBondContact O-CD 3.22Å; A97-K101 VanDerWaalsContact O-CG 3.26Å; A97-K101 WeakPolarHBondContact O-CG 3.18Å; N98-K101 PolarHBondContact O-N 3.44Å; I99-K101 PolarHBondContact O-N 3.09Å; I99-K101 VanDerWaalsContact O-N 3.17Å |
| 102 | H | 98.3 | Very high | 97.8 | Very high | 89 Ų | 89 | 60.5 Ų | 60.5 | 41% | 0.412 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -100.9 | -12.7 | -179.4 | -63 | 87.1 | 0 | 0 | 0 | 112.6 | I64 F75 N98 I99 I100 | I64-H102 HydrophobicContact CD1-CB 3.66Å; I64-H102 HydrophobicContact CG1-CB 3.72Å; I64-H102 HydrophobicContact CG2-CB 4.48Å; F75-H102 HydrophobicContact CE1-CB 4.36Å; F75-H102 VanDerWaalsContact CE1-O 3.26Å; F75-H102 WeakPolarHBondContact CE1-O 3.28Å; F75-H102 HydrophobicContact CZ-CB 4.2Å; N98-H102 PolarHBondContact O-ND1 2.71Å; N98-H102 PolarHBondContact OD1-CE1 3.07Å; I99-H102 PolarHBondContact O-N 3.16Å; I100-H102 VanDerWaalsContact C-N 3.27Å |
| 103 | A | 98.6 | Very high | 97.9 | Very high | 18 Ų | 18 | 62.5 Ų | 62.5 | 15% | 0.149 | 33% | 0.328 | C | S | . | . | trans | -65 | 136.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F75 V77 I99 Y105 V106 | F75-A103 HydrophobicContact CD2-CB 4.17Å; F75-A103 HydrophobicContact CE1-CB 4.43Å; F75-A103 HydrophobicContact CE2-CB 3.56Å; F75-A103 HydrophobicContact CZ-CB 3.73Å; F75-A103 VanDerWaalsContact CZ-N 3.32Å; V77-A103 HydrophobicContact CG2-CB 3.96Å; I99-A103 PolarHBondContact O-N 2.75Å; I99-A103 VanDerWaalsContact O-N 3.12Å; A103-Y105 VanDerWaalsContact C-N 3.28Å; A103-V106 HydrophobicContact CB-CG2 3.55Å | ||
| 104 | D | 98.7 | Very high | 97.8 | Very high | 77 Ų | 77 | 64.2 Ų | 64.2 | 41% | 0.412 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -73.9 | -23.8 | 176.3 | -60.6 | -87.2 | 0 | 0 | 0 | 112.2 | W46 Q67 K74 F75 | W46-D104 HydrophobicContact CH2-CB 4.07Å; W46-D104 HydrophobicContact CZ3-CB 3.99Å; Q67-D104 PolarHBondContact NE2-OD2 3.42Å; K74-D104 WeakPolarHBondContact CA-OD2 3.47Å; K74-D104 HydrophobicContact CB-CB 4.01Å; K74-D104 WeakPolarHBondContact CB-OD2 3.23Å; K74-D104 HydrophobicContact CG-CB 4.27Å; F75-D104 PolarHBondContact N-OD2 2.85Å; F75-D104 WeakPolarHBondContact O-CB 3.34Å; F75-D104 PolarHBondContact O-N 3.16Å |
| 105 | Y | 98.7 | Very high | 97.9 | Very high | 113 Ų | 113 | 66.1 Ų | 66.1 | 44% | 0.443 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 137.4 | 174.6 | -173.9 | -97.7 | 0 | 0 | 0 | 110.8 | F75 A76 V77 I78 A103 D107 | F75-Y105 PolarHBondContact O-N 3.01Å; A76-Y105 CarbonylContact C-O 3.57Å; A76-Y105 VanDerWaalsContact CA-O 3.26Å; A76-Y105 WeakPolarHBondContact CA-O 3.09Å; A76-Y105 HydrophobicContact CB-CD1 4.11Å; A76-Y105 HydrophobicContact CB-CG 4.46Å; V77-Y105 PolarHBondContact N-O 3.32Å; I78-Y105 HydrophobicContact CG1-CD1 4.36Å; I78-Y105 HydrophobicContact CG1-CE1 4.45Å; A103-Y105 VanDerWaalsContact C-N 3.28Å; Y105-D107 HydrophobicContact CD1-CB 4.3Å; Y105-D107 HydrophobicContact CE1-CB 3.37Å; Y105-D107 PolarHBondContact OH-OD2 3.02Å |
| 106 | V | 98.5 | Very high | 97.9 | Very high | 67 Ų | 67 | 65.4 Ų | 65.4 | 41% | 0.406 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 126.9 | 174.8 | -175.2 | 0 | 0 | 0 | 0 | 108.9 | V77 I100 A103 | V77-V106 HydrophobicContact CB-CG2 4.43Å; V77-V106 WeakPolarHBondContact O-CA 3.36Å; I100-V106 HydrophobicContact CB-CG2 4.21Å; I100-V106 HydrophobicContact CG2-CG1 4.37Å; I100-V106 HydrophobicContact CG2-CG2 4.42Å; A103-V106 HydrophobicContact CB-CG2 3.55Å |
| 107 | D | 97.9 | Very high | 97.7 | Very high | 56 Ų | 56 | 68.8 Ų | 68.8 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 171.8 | 176.7 | -157.1 | 3.1 | 0 | 0 | 0 | 111.4 | V77 I78 T79 Y105 H111 | V77-D107 PolarHBondContact O-N 3.39Å; I78-D107 CarbonylContact C-O 3.35Å; I78-D107 WeakPolarHBondContact CA-O 3.46Å; T79-D107 PolarHBondContact N-O 2.84Å; Y105-D107 HydrophobicContact CD1-CB 4.3Å; Y105-D107 HydrophobicContact CE1-CB 3.37Å; Y105-D107 PolarHBondContact OH-OD2 3.02Å; D107-H111 IonicContact OD1-NE2 3.45Å; D107-H111 PolarHBondContact OD1-NE2 3.35Å |
| 108 | S | 98.3 | Very high | 97.7 | Very high | 18 Ų | 18 | 71.4 Ų | 71.4 | 13% | 0.126 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.3 | 174.6 | -60.8 | 0 | 0 | 0 | 0 | 110.3 | T79 F110 H111 | T79-S108 CarbonylContact O-C 3.34Å; T79-S108 VanDerWaalsContact O-CA 3.29Å; T79-S108 WeakPolarHBondContact O-CA 3.46Å; T79-S108 WeakPolarHBondContact OG1-CB 3.35Å; T79-S108 PolarHBondContact OG1-OG 3.47Å; S108-F110 WeakPolarHBondContact CB-O 3.36Å; S108-F110 PolarHBondContact O-N 3.2Å; S108-H111 PolarHBondContact O-CD2 3.16Å; S108-H111 PolarHBondContact O-NE2 2.92Å |
| 109 | I | 98.1 | Very high | 97.7 | Very high | 47 Ų | 47 | 67.5 Ų | 67.5 | 24% | 0.241 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | -39.9 | 175 | -56.5 | -58 | 0 | 0 | 0 | 110.9 | I78 T79 A123 F126 | I78-I109 HydrophobicContact CG2-CD1 3.46Å; I78-I109 VanDerWaalsContact CG2-CD1 3.46Å; I78-I109 HydrophobicContact CG2-CG1 4.02Å; T79-I109 PolarHBondContact O-N 3.03Å; I109-A123 HydrophobicContact CG1-CB 4.05Å; I109-F126 HydrophobicContact CD1-CB 3.74Å; I109-F126 HydrophobicContact CD1-CD1 3.56Å; I109-F126 HydrophobicContact CD1-CD2 3.61Å; I109-F126 HydrophobicContact CD1-CE1 4.06Å; I109-F126 HydrophobicContact CD1-CE2 4.07Å; I109-F126 HydrophobicContact CD1-CG 3.33Å; I109-F126 HydrophobicContact CD1-CZ 4.28Å; I109-F126 HydrophobicContact CG1-CB 4.44Å; I109-F126 HydrophobicContact CG1-CG 4.48Å |
| 110 | F | 98.2 | Very high | 97.6 | Very high | 39 Ų | 39 | 70.9 Ų | 70.9 | 17% | 0.171 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 116.6 | 173.4 | -70.3 | -92.3 | 0 | 0 | 0 | 110 | P80 F81 Q82 S108 T112 F118 Q119 Q122 | P80-F110 WeakPolarHBondContact O-CB 3.49Å; P80-F110 WeakPolarHBondContact O-CD2 3.44Å; P80-F110 PolarHBondContact O-N 2.81Å; F81-F110 WeakPolarHBondContact CA-O 3.17Å; F81-F110 HydrophobicContact CB-CB 4.09Å; Q82-F110 PolarHBondContact N-O 3.15Å; S108-F110 WeakPolarHBondContact CB-O 3.36Å; S108-F110 PolarHBondContact O-N 3.2Å; F110-T112 PolarHBondContact O-N 2.93Å; F110-F118 HydrophobicContact CD1-CE2 4.49Å; F110-F118 AromaticContact CE1-CE2 3.81Å; F110-F118 HydrophobicContact CE1-CE2 3.81Å; F110-F118 HydrophobicContact CZ-CD2 4.41Å; F110-F118 AromaticContact CZ-CE2 3.99Å; F110-F118 HydrophobicContact CZ-CE2 3.99Å; F110-Q119 HydrophobicContact CB-CG 4.44Å; F110-Q119 HydrophobicContact CD1-CG 4.18Å; F110-Q119 HydrophobicContact CD2-CB 3.86Å; F110-Q119 HydrophobicContact CD2-CG 3.68Å; F110-Q119 HydrophobicContact CE2-CB 4.19Å; F110-Q119 HydrophobicContact CE2-CG 4.04Å; F110-Q119 HydrophobicContact CG-CB 4.43Å; F110-Q119 HydrophobicContact CG-CG 3.8Å; F110-Q119 HydrophobicContact CZ-CG 4.49Å; F110-Q122 HydrophobicContact CE2-CB 3.93Å; F110-Q122 HydrophobicContact CZ-CB 4.4Å |
| 111 | H | 97.4 | Very high | 97.6 | Very high | 121 Ų | 121 | 74.9 Ų | 74.9 | 56% | 0.56 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -77.3 | 31.1 | 172.3 | -62.6 | -174 | 0 | 0 | 0 | 112.4 | Q82 D107 S108 | Q82-H111 PolarHBondContact OE1-O 2.9Å; D107-H111 IonicContact OD1-NE2 3.45Å; D107-H111 PolarHBondContact OD1-NE2 3.35Å; S108-H111 PolarHBondContact O-CD2 3.16Å; S108-H111 PolarHBondContact O-NE2 2.92Å |
| 112 | T | 97.6 | Very high | 97.6 | Very high | 55 Ų | 55 | 71.1 Ų | 71.1 | 34% | 0.337 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -131.2 | 162.4 | 177.9 | 53.6 | 0 | 0 | 0 | 0 | 108.5 | F81 Q82 F110 Q115 | F81-T112 WeakPolarHBondContact CB-O 3.48Å; Q82-T112 PolarHBondContact N-O 2.9Å; F110-T112 PolarHBondContact O-N 2.93Å; T112-Q115 PolarHBondContact OG1-OE1 2.63Å |
| 113 | S | 96.9 | Very high | 97.6 | Very high | 72 Ų | 72 | 66.9 Ų | 66.9 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -65.9 | 177.6 | 171.5 | 63.2 | 0 | 0 | 0 | 0 | 111.7 | Q115 Q119 | S113-Q115 PolarHBondContact O-N 3.02Å; S113-Q119 PolarHBondContact O-NE2 3.33Å; S113-Q119 VanDerWaalsContact O-NE2 3.11Å |
| 114 | Y | 97.3 | Very high | 97.6 | Very high | 112 Ų | 112 | 67.1 Ų | 67.1 | 44% | 0.439 | 34% | 0.335 | S | S | . | . | trans | -55.4 | 126.1 | 174.9 | -174.8 | -112.5 | 0 | 0 | 0 | 112.4 | F81 G116 P117 F120 | F81-Y114 AromaticContact CD1-CD2 3.99Å; F81-Y114 HydrophobicContact CD1-CD2 3.99Å; F81-Y114 AromaticContact CE1-CD2 3.5Å; F81-Y114 HydrophobicContact CE1-CD2 3.5Å; F81-Y114 HydrophobicContact CE1-CE2 4.24Å; F81-Y114 HydrophobicContact CE1-CG 4.38Å; F81-Y114 HydrophobicContact CE2-CD2 4.27Å; F81-Y114 HydrophobicContact CE2-CG 4.39Å; F81-Y114 AromaticContact CZ-CD2 3.67Å; F81-Y114 HydrophobicContact CZ-CD2 3.67Å; F81-Y114 HydrophobicContact CZ-CG 4.14Å; Y114-G116 VanDerWaalsContact CE2-C 3.45Å; Y114-G116 WeakPolarHBondContact CE2-O 3.24Å; Y114-P117 WeakPolarHBondContact OH-CD 3.29Å; Y114-F120 HydrophobicContact CD2-CE2 4.26Å; Y114-F120 HydrophobicContact CE2-CD2 4.22Å; Y114-F120 AromaticContact CE2-CE2 3.69Å; Y114-F120 HydrophobicContact CE2-CE2 3.69Å | ||
| 115 | Q | 96.9 | Very high | 97.6 | Very high | 119 Ų | 119 | 66.4 Ų | 66.4 | 56% | 0.556 | 33% | 0.329 | S | S | * | . | trans | -122.9 | -23.1 | 178.2 | -71.5 | 176.4 | -27.1 | 0 | 0 | 111.8 | T112 S113 F118 | T112-Q115 PolarHBondContact OG1-OE1 2.63Å; S113-Q115 PolarHBondContact O-N 3.02Å; Q115-F118 HydrophobicContact CB-CE1 3.85Å; Q115-F118 HydrophobicContact CB-CZ 3.91Å | ||
| 116 | G | 96.4 | Very high | 97.6 | Very high | 7 Ų | 7 | 63.9 Ų | 63.9 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | trans | 163.2 | 175 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115 | Y114 F118 Q119 | Y114-G116 VanDerWaalsContact CE2-C 3.45Å; Y114-G116 WeakPolarHBondContact CE2-O 3.24Å; G116-F118 PolarHBondContact O-N 3.17Å; G116-Q119 PolarHBondContact O-N 2.96Å; G116-Q119 VanDerWaalsContact O-N 3.08Å; G116-Q119 PolarHBondContact O-OE1 3.21Å | ||
| 117 | P | 95.1 | Very high | 97.6 | Very high | 93 Ų | 93 | 60.7 Ų | 60.7 | 60% | 0.604 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -23.5 | -175.6 | -26.3 | 35.5 | 0 | 0 | 0 | 114.8 | Y114 Q119 F120 K121 | Y114-P117 WeakPolarHBondContact OH-CD 3.29Å; P117-Q119 PolarHBondContact O-N 2.87Å; P117-F120 PolarHBondContact O-N 3.16Å; P117-F120 VanDerWaalsContact O-N 3.17Å; P117-K121 PolarHBondContact O-N 2.99Å |
| 118 | F | 97.1 | Very high | 97.7 | Very high | 90 Ų | 90 | 58.1 Ų | 58.1 | 40% | 0.395 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.6 | -24.1 | 177 | 75.9 | -79.1 | 0 | 0 | 0 | 113.2 | F110 Q115 G116 Q122 | F110-F118 HydrophobicContact CD1-CE2 4.49Å; F110-F118 AromaticContact CE1-CE2 3.81Å; F110-F118 HydrophobicContact CE1-CE2 3.81Å; F110-F118 HydrophobicContact CZ-CD2 4.41Å; F110-F118 AromaticContact CZ-CE2 3.99Å; F110-F118 HydrophobicContact CZ-CE2 3.99Å; Q115-F118 HydrophobicContact CB-CE1 3.85Å; Q115-F118 HydrophobicContact CB-CZ 3.91Å; G116-F118 PolarHBondContact O-N 3.17Å; F118-Q122 WeakPolarHBondContact O-CB 3.41Å; F118-Q122 WeakPolarHBondContact O-CG 3.24Å; F118-Q122 PolarHBondContact O-N 2.89Å; F118-Q122 VanDerWaalsContact O-N 3.08Å; F118-Q122 PolarHBondContact O-NE2 3.33Å |
| 119 | Q | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.2 | -43.1 | 175.9 | -66 | 172.7 | -64.1 | 0 | 0 | 111.5 | F81 F110 S113 G116 P117 Q122 A123 | F81-Q119 HydrophobicContact CD1-CB 4.04Å; F110-Q119 HydrophobicContact CB-CG 4.44Å; F110-Q119 HydrophobicContact CD1-CG 4.18Å; F110-Q119 HydrophobicContact CD2-CB 3.86Å; F110-Q119 HydrophobicContact CD2-CG 3.68Å; F110-Q119 HydrophobicContact CE2-CB 4.19Å; F110-Q119 HydrophobicContact CE2-CG 4.04Å; F110-Q119 HydrophobicContact CG-CB 4.43Å; F110-Q119 HydrophobicContact CG-CG 3.8Å; F110-Q119 HydrophobicContact CZ-CG 4.49Å; S113-Q119 PolarHBondContact O-NE2 3.33Å; S113-Q119 VanDerWaalsContact O-NE2 3.11Å; G116-Q119 PolarHBondContact O-N 2.96Å; G116-Q119 VanDerWaalsContact O-N 3.08Å; G116-Q119 PolarHBondContact O-OE1 3.21Å; P117-Q119 PolarHBondContact O-N 2.87Å; Q119-Q122 PolarHBondContact O-N 2.8Å; Q119-A123 WeakPolarHBondContact O-CB 3.46Å; Q119-A123 PolarHBondContact O-N 2.87Å |
| 120 | F | 96.8 | Very high | 97.6 | Very high | 72 Ų | 72 | 65 Ų | 65 | 32% | 0.316 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 173.8 | -68.6 | -77 | 0 | 0 | 0 | 111.2 | P80 F81 Y114 P117 Q122 A123 D124 | P80-F120 HydrophobicContact CB-CD1 4.01Å; P80-F120 HydrophobicContact CB-CE1 4.37Å; P80-F120 HydrophobicContact CB-CG 4.49Å; P80-F120 HydrophobicContact CG-CD1 3.67Å; P80-F120 HydrophobicContact CG-CE1 3.97Å; F81-F120 HydrophobicContact CE1-CD2 4.46Å; F81-F120 HydrophobicContact CE1-CE1 4.01Å; F81-F120 AromaticContact CE1-CE2 3.76Å; F81-F120 HydrophobicContact CE1-CE2 3.76Å; F81-F120 AromaticContact CE1-CZ 3.5Å; F81-F120 HydrophobicContact CE1-CZ 3.5Å; F81-F120 HydrophobicContact CZ-CE2 4.43Å; F81-F120 AromaticContact CZ-CZ 3.99Å; F81-F120 HydrophobicContact CZ-CZ 3.99Å; Y114-F120 HydrophobicContact CD2-CE2 4.26Å; Y114-F120 HydrophobicContact CE2-CD2 4.22Å; Y114-F120 AromaticContact CE2-CE2 3.69Å; Y114-F120 HydrophobicContact CE2-CE2 3.69Å; P117-F120 PolarHBondContact O-N 3.16Å; P117-F120 VanDerWaalsContact O-N 3.17Å; F120-Q122 VanDerWaalsContact C-N 3.26Å; F120-Q122 PolarHBondContact O-N 3.06Å; F120-A123 WeakPolarHBondContact O-CB 3.45Å; F120-A123 PolarHBondContact O-N 2.98Å; F120-D124 PolarHBondContact O-N 3.08Å |
| 121 | K | 97.6 | Very high | 97.7 | Very high | 142 Ų | 142 | 63.7 Ų | 63.7 | 62% | 0.617 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -56.7 | -39.9 | 178.4 | -168.9 | -176.2 | 176.6 | 174.9 | 0 | 112.5 | P117 Q125 M152 | P117-K121 PolarHBondContact O-N 2.99Å; K121-Q125 WeakPolarHBondContact O-CB 3.24Å; K121-Q125 PolarHBondContact O-N 3.41Å; K121-M152 HydrophobicContact CB-CE 4.33Å; K121-M152 HydrophobicContact CD-CE 4.39Å; K121-M152 HydrophobicContact CG-CE 3.36Å; K121-M152 WeakPolarHBondContact O-CE 3.49Å |
| 122 | Q | 98.1 | Very high | 97.7 | Very high | 86 Ų | 86 | 61.1 Ų | 61.1 | 40% | 0.402 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -76.7 | -30.3 | 178.2 | -79.4 | 170.2 | 107.3 | 0 | 0 | 112.9 | F110 F118 Q119 F120 Q125 F126 | F110-Q122 HydrophobicContact CE2-CB 3.93Å; F110-Q122 HydrophobicContact CZ-CB 4.4Å; F118-Q122 WeakPolarHBondContact O-CB 3.41Å; F118-Q122 WeakPolarHBondContact O-CG 3.24Å; F118-Q122 PolarHBondContact O-N 2.89Å; F118-Q122 VanDerWaalsContact O-N 3.08Å; F118-Q122 PolarHBondContact O-NE2 3.33Å; Q119-Q122 PolarHBondContact O-N 2.8Å; F120-Q122 VanDerWaalsContact C-N 3.26Å; F120-Q122 PolarHBondContact O-N 3.06Å; Q122-Q125 PolarHBondContact O-N 2.87Å; Q122-F126 VanDerWaalsContact O-CB 3.28Å; Q122-F126 WeakPolarHBondContact O-CB 3.39Å; Q122-F126 PolarHBondContact O-N 2.82Å |
| 123 | A | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q50 P80 I109 Q119 F120 Q125 F126 M127 | Q50-A123 VanDerWaalsContact NE2-C 3.3Å; P80-A123 HydrophobicContact CB-CB 3.74Å; P80-A123 HydrophobicContact CG-CB 3.74Å; I109-A123 HydrophobicContact CG1-CB 4.05Å; Q119-A123 WeakPolarHBondContact O-CB 3.46Å; Q119-A123 PolarHBondContact O-N 2.87Å; F120-A123 WeakPolarHBondContact O-CB 3.45Å; F120-A123 PolarHBondContact O-N 2.98Å; A123-Q125 PolarHBondContact O-N 2.72Å; A123-F126 PolarHBondContact O-N 3.28Å; A123-M127 VanDerWaalsContact O-CG 3.3Å; A123-M127 WeakPolarHBondContact O-CG 3.16Å; A123-M127 PolarHBondContact O-N 3.29Å |
| 124 | D | 98.4 | Very high | 97.8 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 12% | 0.118 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.5 | -48.3 | 173.5 | -70.7 | -20.2 | 0 | 0 | 0 | 111.4 | Q50 F120 F126 M127 L128 F149 M152 | Q50-D124 PolarHBondContact NE2-OD1 3.39Å; F120-D124 PolarHBondContact O-N 3.08Å; D124-F126 PolarHBondContact O-N 3.29Å; D124-M127 PolarHBondContact O-N 2.72Å; D124-L128 WeakPolarHBondContact O-CG 3.35Å; D124-L128 PolarHBondContact O-N 2.95Å; D124-L128 VanDerWaalsContact O-N 3.13Å; D124-F149 HydrophobicContact CB-CD2 3.8Å; D124-F149 HydrophobicContact CB-CE2 4.34Å; D124-M152 HydrophobicContact CB-CE 3.87Å; D124-M152 HydrophobicContact CB-SD 3.55Å; D124-M152 VanDerWaalsContact CB-SD 3.55Å |
| 125 | Q | 98.4 | Very high | 97.9 | Very high | 62 Ų | 62 | 51 Ų | 51 | 29% | 0.29 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.4 | -45.3 | 176.8 | -176.8 | 63.8 | 38.9 | 0 | 0 | 111.9 | K121 Q122 A123 M127 L128 E129 M152 | K121-Q125 WeakPolarHBondContact O-CB 3.24Å; K121-Q125 PolarHBondContact O-N 3.41Å; Q122-Q125 PolarHBondContact O-N 2.87Å; A123-Q125 PolarHBondContact O-N 2.72Å; Q125-M127 VanDerWaalsContact C-N 3.32Å; Q125-M127 PolarHBondContact O-N 3.24Å; Q125-L128 PolarHBondContact O-N 2.82Å; Q125-E129 WeakPolarHBondContact CG-OE1 3.3Å; Q125-E129 PolarHBondContact NE2-OE1 3.41Å; Q125-E129 WeakPolarHBondContact O-CG 3.4Å; Q125-E129 PolarHBondContact O-N 2.9Å; Q125-M152 HydrophobicContact CB-SD 4.21Å |
| 126 | F | 98.6 | Very high | 98 | Very high | 60 Ų | 60 | 45.3 Ų | 45.3 | 26% | 0.263 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.7 | -44.3 | 177.9 | 179.4 | -82.3 | 0 | 0 | 0 | 111.2 | I78 I109 Q122 A123 D124 L128 E129 H130 | I78-F126 HydrophobicContact CD1-CD1 4.4Å; I78-F126 HydrophobicContact CD1-CE1 3.62Å; I78-F126 HydrophobicContact CD1-CZ 4.47Å; I78-F126 HydrophobicContact CG2-CD1 4.21Å; I78-F126 HydrophobicContact CG2-CE1 4.06Å; I109-F126 HydrophobicContact CD1-CB 3.74Å; I109-F126 HydrophobicContact CD1-CD1 3.56Å; I109-F126 HydrophobicContact CD1-CD2 3.61Å; I109-F126 HydrophobicContact CD1-CE1 4.06Å; I109-F126 HydrophobicContact CD1-CE2 4.07Å; I109-F126 HydrophobicContact CD1-CG 3.33Å; I109-F126 HydrophobicContact CD1-CZ 4.28Å; I109-F126 HydrophobicContact CG1-CB 4.44Å; I109-F126 HydrophobicContact CG1-CG 4.48Å; Q122-F126 VanDerWaalsContact O-CB 3.28Å; Q122-F126 WeakPolarHBondContact O-CB 3.39Å; Q122-F126 PolarHBondContact O-N 2.82Å; A123-F126 PolarHBondContact O-N 3.28Å; D124-F126 PolarHBondContact O-N 3.29Å; F126-L128 VanDerWaalsContact C-N 3.33Å; F126-L128 PolarHBondContact O-N 3.39Å; F126-E129 PolarHBondContact O-N 2.93Å; F126-H130 AromaticContact CD1-ND1 3.79Å; F126-H130 AromaticContact CD2-CE1 3.46Å; F126-H130 VanDerWaalsContact CD2-CE1 3.46Å; F126-H130 WeakPolarHBondContact CD2-CE1 3.38Å; F126-H130 AromaticContact CD2-ND1 3.6Å; F126-H130 HydrophobicContact CE1-CB 4.12Å; F126-H130 AromaticContact CE1-CG 3.8Å; F126-H130 AromaticContact CE1-ND1 3.72Å; F126-H130 AromaticContact CE2-CE1 3.24Å; F126-H130 WeakPolarHBondContact CE2-CE1 3.32Å; F126-H130 AromaticContact CE2-ND1 3.56Å; F126-H130 AromaticContact CE2-NE2 3.64Å; F126-H130 AromaticContact CG-ND1 3.72Å; F126-H130 AromaticContact CZ-CD2 3.86Å; F126-H130 AromaticContact CZ-CE1 3.66Å; F126-H130 AromaticContact CZ-CG 3.75Å; F126-H130 AromaticContact CZ-ND1 3.62Å; F126-H130 AromaticContact CZ-NE2 3.8Å; F126-H130 WeakPolarHBondContact O-CB 3.42Å; F126-H130 PolarHBondContact O-N 2.89Å; F126-H130 PolarHBondContact O-ND1 2.77Å |
| 127 | M | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.4 | -43.2 | 178.6 | -70 | -55.9 | -154.3 | 0 | 0 | 111.9 | Y6 L48 I49 Q50 I78 A123 D124 Q125 E129 H130 S131 | Y6-M127 HydrophobicContact CD1-CB 3.73Å; Y6-M127 HydrophobicContact CD1-CG 4.37Å; Y6-M127 HydrophobicContact CD2-CB 4.01Å; Y6-M127 HydrophobicContact CD2-CE 4.15Å; Y6-M127 HydrophobicContact CD2-CG 3.9Å; Y6-M127 HydrophobicContact CD2-SD 4.1Å; Y6-M127 HydrophobicContact CE1-CB 3.89Å; Y6-M127 HydrophobicContact CE1-CG 4.21Å; Y6-M127 HydrophobicContact CE2-CB 4.21Å; Y6-M127 HydrophobicContact CE2-CE 3.93Å; Y6-M127 HydrophobicContact CE2-CG 3.78Å; Y6-M127 HydrophobicContact CE2-SD 4.3Å; Y6-M127 HydrophobicContact CG-CB 3.81Å; Y6-M127 HydrophobicContact CG-CG 4.22Å; L48-M127 HydrophobicContact CB-CE 4.22Å; L48-M127 HydrophobicContact CB-SD 3.95Å; L48-M127 HydrophobicContact CD1-SD 4.12Å; I49-M127 WeakPolarHBondContact O-CE 3.36Å; Q50-M127 HydrophobicContact CB-CE 4.35Å; Q50-M127 HydrophobicContact CG-CE 3.49Å; Q50-M127 VanDerWaalsContact CG-CE 3.49Å; Q50-M127 HydrophobicContact CG-CG 4.05Å; I78-M127 HydrophobicContact CB-CE 3.7Å; I78-M127 HydrophobicContact CB-SD 4.34Å; I78-M127 HydrophobicContact CD1-SD 4.34Å; I78-M127 HydrophobicContact CG1-CE 4.33Å; A123-M127 VanDerWaalsContact O-CG 3.3Å; A123-M127 WeakPolarHBondContact O-CG 3.16Å; A123-M127 PolarHBondContact O-N 3.29Å; D124-M127 PolarHBondContact O-N 2.72Å; Q125-M127 VanDerWaalsContact C-N 3.32Å; Q125-M127 PolarHBondContact O-N 3.24Å; M127-E129 VanDerWaalsContact C-N 3.34Å; M127-E129 PolarHBondContact O-N 3.37Å; M127-H130 PolarHBondContact O-N 3.48Å; M127-S131 WeakPolarHBondContact O-CB 3.5Å; M127-S131 PolarHBondContact O-N 2.73Å; M127-S131 VanDerWaalsContact O-N 3.17Å; M127-S131 PolarHBondContact O-OG 2.62Å |
| 128 | L | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64 | -38.2 | 176 | -66.6 | 172 | 0 | 0 | 0 | 112.3 | D124 Q125 F126 H130 F149 M152 L153 F156 Y162 | D124-L128 WeakPolarHBondContact O-CG 3.35Å; D124-L128 PolarHBondContact O-N 2.95Å; D124-L128 VanDerWaalsContact O-N 3.13Å; Q125-L128 PolarHBondContact O-N 2.82Å; F126-L128 VanDerWaalsContact C-N 3.33Å; F126-L128 PolarHBondContact O-N 3.39Å; L128-H130 VanDerWaalsContact C-N 3.29Å; L128-H130 PolarHBondContact O-N 3.17Å; L128-F149 HydrophobicContact CD1-CE2 4.25Å; L128-F149 HydrophobicContact CD2-CE2 4.04Å; L128-F149 HydrophobicContact CD2-CZ 3.95Å; L128-F149 HydrophobicContact CG-CE2 4.08Å; L128-F149 HydrophobicContact CG-CZ 4.49Å; L128-M152 HydrophobicContact CD1-CG 3.79Å; L128-M152 HydrophobicContact CD1-SD 3.94Å; L128-L153 HydrophobicContact CD2-CD1 3.66Å; L128-F156 HydrophobicContact CB-CD1 4.05Å; L128-F156 HydrophobicContact CB-CD2 4.1Å; L128-F156 HydrophobicContact CB-CE1 3.99Å; L128-F156 HydrophobicContact CB-CE2 4.05Å; L128-F156 HydrophobicContact CB-CG 4.1Å; L128-F156 HydrophobicContact CB-CZ 3.99Å; L128-F156 HydrophobicContact CD1-CB 3.93Å; L128-F156 HydrophobicContact CD1-CD2 4.29Å; L128-F156 HydrophobicContact CD1-CG 4.02Å; L128-F156 HydrophobicContact CD2-CD1 4.44Å; L128-Y162 HydrophobicContact CD2-CD1 4.4Å; L128-Y162 HydrophobicContact CD2-CE1 3.73Å; L128-Y162 HydrophobicContact CD2-CE2 4.49Å; L128-Y162 VanDerWaalsContact O-CE2 3.27Å; L128-Y162 WeakPolarHBondContact O-CE2 3.48Å |
| 129 | E | 98.1 | Very high | 98.1 | Very high | 114 Ų | 114 | 37.5 Ų | 37.5 | 53% | 0.533 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -72.3 | -19.3 | 178.1 | -72.4 | 173 | -178.6 | 0 | 0 | 114 | Q125 F126 M127 F156 | Q125-E129 WeakPolarHBondContact CG-OE1 3.3Å; Q125-E129 PolarHBondContact NE2-OE1 3.41Å; Q125-E129 WeakPolarHBondContact O-CG 3.4Å; Q125-E129 PolarHBondContact O-N 2.9Å; F126-E129 PolarHBondContact O-N 2.93Å; M127-E129 VanDerWaalsContact C-N 3.34Å; M127-E129 PolarHBondContact O-N 3.37Å; E129-F156 HydrophobicContact CG-CE2 4.22Å; E129-F156 HydrophobicContact CG-CZ 4.49Å |
| 130 | H | 98.1 | Very high | 97.9 | Very high | 97 Ų | 97 | 43.9 Ų | 43.9 | 45% | 0.449 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 15.1 | -173.4 | -63.6 | 79.8 | 0 | 0 | 0 | 113.9 | T4 F126 M127 L128 | T4-H130 WeakPolarHBondContact CG2-O 3.31Å; F126-H130 AromaticContact CD1-ND1 3.79Å; F126-H130 AromaticContact CD2-CE1 3.46Å; F126-H130 VanDerWaalsContact CD2-CE1 3.46Å; F126-H130 WeakPolarHBondContact CD2-CE1 3.38Å; F126-H130 AromaticContact CD2-ND1 3.6Å; F126-H130 HydrophobicContact CE1-CB 4.12Å; F126-H130 AromaticContact CE1-CG 3.8Å; F126-H130 AromaticContact CE1-ND1 3.72Å; F126-H130 AromaticContact CE2-CE1 3.24Å; F126-H130 WeakPolarHBondContact CE2-CE1 3.32Å; F126-H130 AromaticContact CE2-ND1 3.56Å; F126-H130 AromaticContact CE2-NE2 3.64Å; F126-H130 AromaticContact CG-ND1 3.72Å; F126-H130 AromaticContact CZ-CD2 3.86Å; F126-H130 AromaticContact CZ-CE1 3.66Å; F126-H130 AromaticContact CZ-CG 3.75Å; F126-H130 AromaticContact CZ-ND1 3.62Å; F126-H130 AromaticContact CZ-NE2 3.8Å; F126-H130 WeakPolarHBondContact O-CB 3.42Å; F126-H130 PolarHBondContact O-N 2.89Å; F126-H130 PolarHBondContact O-ND1 2.77Å; M127-H130 PolarHBondContact O-N 3.48Å; L128-H130 VanDerWaalsContact C-N 3.29Å; L128-H130 PolarHBondContact O-N 3.17Å |
| 131 | S | 98.4 | Very high | 97.8 | Very high | 11 Ų | 11 | 49.1 Ų | 49.1 | 8% | 0.077 | 23% | 0.231 | C | C | . | . | trans | -129.5 | 167.4 | 172.2 | 54.3 | 0 | 0 | 0 | 0 | 110.9 | M127 Y162 | M127-S131 WeakPolarHBondContact O-CB 3.5Å; M127-S131 PolarHBondContact O-N 2.73Å; M127-S131 VanDerWaalsContact O-N 3.17Å; M127-S131 PolarHBondContact O-OG 2.62Å; S131-Y162 WeakPolarHBondContact O-CE2 3.37Å; S131-Y162 WeakPolarHBondContact OG-CE2 3.38Å; S131-Y162 PolarHBondContact OG-OH 3.03Å | ||
| 132 | D | 97.9 | Very high | 97.6 | Very high | 67 Ų | 67 | 45.7 Ų | 45.7 | 36% | 0.358 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -97.9 | -28.6 | 176.4 | -57.2 | -56.5 | 0 | 0 | 0 | 111.8 | V2 K3 T4 | V2-D132 HydrophobicContact CG1-CB 4.26Å; K3-D132 WeakPolarHBondContact CA-OD2 3.38Å; K3-D132 PolarHBondContact N-OD2 2.87Å; T4-D132 PolarHBondContact N-OD2 3.19Å; T4-D132 PolarHBondContact O-N 3.45Å |
| 133 | Q | 98.4 | Very high | 97.4 | Very high | 24 Ų | 24 | 47.6 Ų | 47.6 | 11% | 0.112 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 150.4 | -177.2 | -177.7 | -179.8 | -8.9 | 0 | 0 | 110.7 | V2 T4 V5 Y6 Y162 T163 | V2-Q133 HydrophobicContact CG1-CB 3.79Å; V2-Q133 HydrophobicContact CG2-CB 4.14Å; V2-Q133 VanDerWaalsContact CG2-OE1 3.3Å; T4-Q133 PolarHBondContact O-N 3.01Å; V5-Q133 CarbonylContact C-O 3.52Å; V5-Q133 WeakPolarHBondContact CA-O 3.49Å; V5-Q133 HydrophobicContact CG2-CB 4.49Å; V5-Q133 WeakPolarHBondContact CG2-O 3.44Å; Y6-Q133 PolarHBondContact N-O 2.75Å; Q133-Y162 PolarHBondContact O-OH 3.38Å; Q133-T163 VanDerWaalsContact CA-O 3.28Å; Q133-T163 WeakPolarHBondContact CA-O 3.31Å; Q133-T163 WeakPolarHBondContact CG-O 3.41Å |
| 134 | T | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 134.1 | 164.8 | -68.2 | 0 | 0 | 0 | 0 | 111.4 | Y6 L136 F149 L153 Y162 T163 C164 D165 | Y6-T134 HydrophobicContact CD1-CG2 4.26Å; Y6-T134 CarbonylContact O-C 3.49Å; Y6-T134 VanDerWaalsContact O-CA 3.28Å; Y6-T134 WeakPolarHBondContact O-CA 3.24Å; T134-L136 HydrophobicContact CG2-CB 4.02Å; T134-F149 HydrophobicContact CG2-CE1 3.74Å; T134-F149 HydrophobicContact CG2-CZ 3.89Å; T134-L153 HydrophobicContact CG2-CD2 4.1Å; T134-Y162 PolarHBondContact N-OH 3.39Å; T134-Y162 WeakPolarHBondContact OG1-CE1 3.15Å; T134-Y162 PolarHBondContact OG1-OH 2.82Å; T134-T163 PolarHBondContact N-O 3.2Å; T134-T163 VanDerWaalsContact N-O 3.15Å; T134-C164 CarbonylContact O-C 3.57Å; T134-C164 WeakPolarHBondContact O-CA 3.4Å; T134-C164 WeakPolarHBondContact O-CB 3.15Å; T134-D165 PolarHBondContact O-N 2.95Å |
| 135 | L | 98.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 110.1 | 159.9 | 175.6 | 62.8 | 0 | 0 | 0 | 108.3 | V5 Y6 V7 T8 K35 D165 V167 | V5-L135 HydrophobicContact CG2-CB 4.11Å; Y6-L135 PolarHBondContact O-N 2.9Å; V7-L135 WeakPolarHBondContact CA-O 3.27Å; V7-L135 HydrophobicContact CG1-CB 4.37Å; V7-L135 HydrophobicContact CG1-CD2 4.07Å; V7-L135 HydrophobicContact CG1-CG 4.28Å; V7-L135 HydrophobicContact CG2-CB 4.21Å; V7-L135 HydrophobicContact CG2-CD2 4.3Å; T8-L135 PolarHBondContact N-O 3.06Å; K35-L135 HydrophobicContact CB-CD1 4.5Å; K35-L135 HydrophobicContact CB-CD2 3.72Å; K35-L135 HydrophobicContact CD-CD1 4.36Å; K35-L135 HydrophobicContact CG-CD1 4.33Å; K35-L135 HydrophobicContact CG-CD2 4.3Å; L135-D165 WeakPolarHBondContact CA-O 3.43Å; L135-D165 HydrophobicContact CD1-CB 3.93Å; L135-V167 HydrophobicContact CD1-CG2 3.76Å |
| 136 | L | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 113.7 | -176.9 | 173.8 | 62.8 | 0 | 0 | 0 | 110 | T8 T134 Y138 P146 F149 K150 L153 D165 I166 V167 | T8-L136 HydrophobicContact CG2-CD1 3.85Å; T8-L136 WeakPolarHBondContact O-CA 3.28Å; T134-L136 HydrophobicContact CG2-CB 4.02Å; L136-Y138 PolarHBondContact O-N 3.13Å; L136-P146 HydrophobicContact CD1-CB 4.22Å; L136-F149 HydrophobicContact CD1-CD1 4.06Å; L136-F149 HydrophobicContact CD1-CE1 4.35Å; L136-F149 HydrophobicContact CD2-CD1 4.42Å; L136-K150 HydrophobicContact CD2-CB 3.92Å; L136-K150 HydrophobicContact CD2-CD 4.47Å; L136-K150 HydrophobicContact CD2-CG 4.18Å; L136-L153 HydrophobicContact CD2-CD2 4.3Å; L136-D165 PolarHBondContact N-O 3.18Å; L136-I166 HydrophobicContact CB-CG1 4.37Å; L136-I166 HydrophobicContact CD2-CD1 4.38Å; L136-I166 HydrophobicContact CD2-CG1 4.24Å; L136-I166 HydrophobicContact CD2-CG2 4.33Å; L136-I166 HydrophobicContact CG-CG2 4.5Å; L136-I166 CarbonylContact O-C 3.6Å; L136-I166 WeakPolarHBondContact O-CA 3.39Å; L136-V167 PolarHBondContact O-N 2.96Å |
| 137 | I | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 101.6 | 171 | -60.3 | 174.5 | 0 | 0 | 0 | 108.1 | T8 G9 Y10 I32 I55 V167 | T8-I137 PolarHBondContact O-N 3.39Å; G9-I137 WeakPolarHBondContact CA-O 3.3Å; Y10-I137 VanDerWaalsContact CD2-O 3.32Å; Y10-I137 WeakPolarHBondContact CD2-O 3.13Å; Y10-I137 PolarHBondContact N-O 3.16Å; I32-I137 HydrophobicContact CD1-CD1 4.07Å; I32-I137 HydrophobicContact CG1-CD1 3.65Å; I55-I137 HydrophobicContact CD1-CB 4.02Å; I55-I137 HydrophobicContact CD1-CD1 3.78Å; I55-I137 HydrophobicContact CD1-CG1 4.48Å; I55-I137 HydrophobicContact CD1-CG2 3.86Å; I55-I137 HydrophobicContact CG1-CB 4.11Å; I55-I137 HydrophobicContact CG1-CD1 4.44Å; I55-I137 HydrophobicContact CG1-CG2 4.32Å; I55-I137 HydrophobicContact CG2-CB 4.31Å; I55-I137 HydrophobicContact CG2-CD1 3.84Å; I55-I137 HydrophobicContact CG2-CG1 4.32Å; I137-V167 HydrophobicContact CG1-CB 4.25Å |
| 138 | Y | 98 | Very high | 97 | Very high | 10 Ų | 10 | 54.1 Ų | 54.1 | 4% | 0.039 | 26% | 0.262 | C | S | . | . | trans | -157.4 | 136.8 | -174.3 | -178.6 | -102.6 | 0 | 0 | 0 | 112.4 | Y10 L136 E140 P146 K147 K150 V167 | Y10-Y138 HydrophobicContact CE1-CD2 4.09Å; Y10-Y138 HydrophobicContact CE1-CE2 4.34Å; Y10-Y138 VanDerWaalsContact CE2-CA 3.49Å; Y10-Y138 HydrophobicContact CE2-CD2 4.24Å; Y10-Y138 AromaticContact CZ-CD2 3.74Å; L136-Y138 PolarHBondContact O-N 3.13Å; Y138-E140 HydrophobicContact CE1-CG 4Å; Y138-P146 HydrophobicContact CD2-CB 3.59Å; Y138-P146 HydrophobicContact CD2-CG 3.99Å; Y138-P146 HydrophobicContact CE2-CB 4.17Å; Y138-P146 HydrophobicContact CG-CB 4.29Å; Y138-K147 HydrophobicContact CE2-CB 4.3Å; Y138-K147 WeakPolarHBondContact OH-CB 3.45Å; Y138-K150 HydrophobicContact CD1-CD 3.55Å; Y138-K150 HydrophobicContact CE1-CD 3.58Å; Y138-V167 CarbonylContact C-O 3.59Å; Y138-V167 PolarHBondContact N-O 3.42Å; Y138-V167 VanDerWaalsContact O-O 3.06Å | ||
| 139 | D | 96 | Very high | 97 | Very high | 13 Ų | 13 | 54.5 Ų | 54.5 | 7% | 0.07 | 26% | 0.263 | C | S | . | . | trans | -118.7 | 130 | 176.2 | -158.1 | -53.8 | 0 | 0 | 0 | 110.8 | Y10 E141 Q142 F169 | Y10-D139 WeakPolarHBondContact OH-CA 3.5Å; Y10-D139 WeakPolarHBondContact OH-CB 3.28Å; Y10-D139 PolarHBondContact OH-N 3.43Å; Y10-D139 PolarHBondContact OH-O 3.28Å; D139-E141 VanDerWaalsContact C-N 3.26Å; D139-E141 PolarHBondContact O-N 3.5Å; D139-E141 WeakPolarHBondContact OD1-CB 3.34Å; D139-E141 PolarHBondContact OD1-N 3.28Å; D139-Q142 CarbonylContact O-C 3.53Å; D139-Q142 PolarHBondContact O-N 3.3Å; D139-F169 HydrophobicContact CB-CD2 3.51Å; D139-F169 HydrophobicContact CB-CE2 3.63Å; D139-F169 HydrophobicContact CB-CG 3.99Å; D139-F169 HydrophobicContact CB-CZ 4.2Å; D139-F169 WeakPolarHBondContact OD2-CB 3.3Å; D139-F169 WeakPolarHBondContact OD2-CD2 3.43Å; D139-F169 PolarHBondContact OD2-N 3.29Å | ||
| 140 | E | 93.3 | Very high | 97 | Very high | 134 Ų | 134 | 50.9 Ų | 50.9 | 63% | 0.626 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -69.6 | -24.9 | 178.6 | -69.1 | -171.6 | -179.9 | 0 | 0 | 112.7 | Y138 Q142 K150 | Y138-E140 HydrophobicContact CE1-CG 4Å; E140-Q142 VanDerWaalsContact C-N 3.28Å; E140-K150 VanDerWaalsContact OE1-CE 3.3Å; E140-K150 WeakPolarHBondContact OE1-CE 3.37Å; E140-K150 IonicContact OE1-NZ 2.59Å; E140-K150 PolarHBondContact OE1-NZ 3.47Å |
| 141 | E | 94 | Very high | 97 | Very high | 182 Ų | 182 | 51.7 Ų | 51.7 | 85% | 0.85 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -74.6 | -22 | 177.1 | -57.5 | -164.8 | 163.5 | 0 | 0 | 112.1 | D139 | D139-E141 VanDerWaalsContact C-N 3.26Å; D139-E141 PolarHBondContact O-N 3.5Å; D139-E141 WeakPolarHBondContact OD1-CB 3.34Å; D139-E141 PolarHBondContact OD1-N 3.28Å |
| 142 | Q | 94.2 | Very high | 97 | Very high | 70 Ų | 70 | 52.2 Ų | 52.2 | 33% | 0.327 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -116.8 | 70.5 | 173.4 | -170.8 | 170 | -34.4 | 0 | 0 | 110.4 | Y10 E14 D139 E140 A144 F169 | Y10-Q142 VanDerWaalsContact CE1-O 3.29Å; Y10-Q142 WeakPolarHBondContact CE1-O 3.4Å; Y10-Q142 PolarHBondContact OH-O 3.43Å; E14-Q142 PolarHBondContact O-NE2 3.43Å; D139-Q142 CarbonylContact O-C 3.53Å; D139-Q142 PolarHBondContact O-N 3.3Å; E140-Q142 VanDerWaalsContact C-N 3.28Å; Q142-A144 PolarHBondContact O-N 2.9Å; Q142-F169 HydrophobicContact CB-CE2 3.69Å; Q142-F169 HydrophobicContact CG-CE2 4.2Å |
| 143 | E | 94.8 | Very high | 97 | Very high | 127 Ų | 127 | 49 Ų | 49 | 59% | 0.593 | 23% | 0.234 | S | C | * | . | trans | -61 | 123.6 | -180 | -173.4 | -177.5 | 163.7 | 0 | 0 | 112.1 | K147 | E143-K147 HydrophobicContact CG-CB 4.43Å; E143-K147 HydrophobicContact CG-CD 3.52Å; E143-K147 WeakPolarHBondContact OE1-CD 3.23Å; E143-K147 WeakPolarHBondContact OE1-CE 3.4Å; E143-K147 IonicContact OE1-NZ 2.6Å; E143-K147 PolarHBondContact OE1-NZ 2.82Å | ||
| 144 | A | 96.7 | Very high | 97 | Very high | 18 Ų | 18 | 50.1 Ų | 50.1 | 15% | 0.149 | 24% | 0.242 | C | C | . | . | trans | -145.3 | -164.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y10 E14 Q142 P146 K147 | Y10-A144 HydrophobicContact CD1-CB 3.77Å; Y10-A144 HydrophobicContact CE1-CB 3.59Å; E14-A144 HydrophobicContact CB-CB 4.1Å; E14-A144 HydrophobicContact CG-CB 4.19Å; Q142-A144 PolarHBondContact O-N 2.9Å; A144-P146 VanDerWaalsContact C-N 3.34Å; A144-K147 WeakPolarHBondContact O-CB 3.47Å; A144-K147 WeakPolarHBondContact O-CD 3.44Å; A144-K147 WeakPolarHBondContact O-CG 3.47Å; A144-K147 PolarHBondContact O-N 3.2Å | ||
| 145 | S | 96 | Very high | 96.9 | Very high | 44 Ų | 44 | 53.3 Ų | 53.3 | 31% | 0.308 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -30.9 | -177.3 | 68.8 | 0 | 0 | 0 | 0 | 116.4 | E14 K147 F148 | E14-S145 VanDerWaalsContact CD-OG 3.23Å; E14-S145 WeakPolarHBondContact OE1-CB 3.37Å; E14-S145 PolarHBondContact OE1-N 3.25Å; E14-S145 PolarHBondContact OE1-OG 3.46Å; E14-S145 PolarHBondContact OE2-OG 2.92Å; E14-S145 VanDerWaalsContact OE2-OG 3.11Å; S145-K147 PolarHBondContact O-N 2.85Å; S145-F148 VanDerWaalsContact O-CD2 3.32Å; S145-F148 WeakPolarHBondContact O-CD2 3.22Å; S145-F148 PolarHBondContact O-N 3.49Å |
| 146 | P | 97.5 | Very high | 96.9 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.7 | -15.1 | -179.8 | -18.7 | 30.7 | 0 | 0 | 0 | 114.1 | G9 Y10 L136 Y138 A144 F148 F149 K150 | G9-P146 VanDerWaalsContact C-CG 3.41Å; Y10-P146 HydrophobicContact CD1-CG 4.07Å; Y10-P146 HydrophobicContact CG-CG 4.27Å; L136-P146 HydrophobicContact CD1-CB 4.22Å; Y138-P146 HydrophobicContact CD2-CB 3.59Å; Y138-P146 HydrophobicContact CD2-CG 3.99Å; Y138-P146 HydrophobicContact CE2-CB 4.17Å; Y138-P146 HydrophobicContact CG-CB 4.29Å; A144-P146 VanDerWaalsContact C-N 3.34Å; P146-F148 PolarHBondContact O-N 3.26Å; P146-F149 PolarHBondContact O-N 3.44Å; P146-K150 PolarHBondContact O-N 3.11Å |
| 147 | K | 97.5 | Very high | 96.9 | Very high | 70 Ų | 70 | 57.1 Ų | 57.1 | 30% | 0.304 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -54.3 | -35.4 | 173.9 | 78.3 | -172.8 | -178.7 | -178.6 | 0 | 113.7 | Y138 E143 A144 S145 K150 Q151 | Y138-K147 HydrophobicContact CE2-CB 4.3Å; Y138-K147 WeakPolarHBondContact OH-CB 3.45Å; E143-K147 HydrophobicContact CG-CB 4.43Å; E143-K147 HydrophobicContact CG-CD 3.52Å; E143-K147 WeakPolarHBondContact OE1-CD 3.23Å; E143-K147 WeakPolarHBondContact OE1-CE 3.4Å; E143-K147 IonicContact OE1-NZ 2.6Å; E143-K147 PolarHBondContact OE1-NZ 2.82Å; A144-K147 WeakPolarHBondContact O-CB 3.47Å; A144-K147 WeakPolarHBondContact O-CD 3.44Å; A144-K147 WeakPolarHBondContact O-CG 3.47Å; A144-K147 PolarHBondContact O-N 3.2Å; S145-K147 PolarHBondContact O-N 2.85Å; K147-K150 PolarHBondContact O-N 3.31Å; K147-Q151 PolarHBondContact O-N 2.87Å |
| 148 | F | 96.3 | Very high | 96.8 | Very high | 144 Ų | 144 | 63.3 Ų | 63.3 | 63% | 0.632 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -69.3 | -42.3 | -178.1 | -64.3 | -66.5 | 0 | 0 | 0 | 110.6 | S145 P146 M152 | S145-F148 VanDerWaalsContact O-CD2 3.32Å; S145-F148 WeakPolarHBondContact O-CD2 3.22Å; S145-F148 PolarHBondContact O-N 3.49Å; P146-F148 PolarHBondContact O-N 3.26Å; F148-M152 PolarHBondContact O-N 2.95Å |
| 149 | F | 98.1 | Very high | 96.8 | Very high | 9 Ų | 9 | 70.6 Ų | 70.6 | 4% | 0.039 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.5 | -43 | 173.4 | 171.8 | -99.2 | 0 | 0 | 0 | 111.2 | Y6 T8 D124 L128 T134 L136 P146 Q151 M152 L153 | Y6-F149 HydrophobicContact CD1-CE1 4.47Å; Y6-F149 HydrophobicContact CD1-CE2 4.04Å; Y6-F149 AromaticContact CD1-CZ 3.68Å; Y6-F149 HydrophobicContact CD1-CZ 3.68Å; Y6-F149 HydrophobicContact CE1-CD2 4.21Å; Y6-F149 HydrophobicContact CE1-CE1 4.12Å; Y6-F149 AromaticContact CE1-CE2 3.53Å; Y6-F149 HydrophobicContact CE1-CE2 3.53Å; Y6-F149 AromaticContact CE1-CZ 3.47Å; Y6-F149 HydrophobicContact CE1-CZ 3.47Å; Y6-F149 VanDerWaalsContact CE1-CZ 3.47Å; T8-F149 HydrophobicContact CG2-CD1 3.66Å; T8-F149 HydrophobicContact CG2-CE1 3.57Å; T8-F149 HydrophobicContact CG2-CG 4.37Å; T8-F149 HydrophobicContact CG2-CZ 4.23Å; D124-F149 HydrophobicContact CB-CD2 3.8Å; D124-F149 HydrophobicContact CB-CE2 4.34Å; L128-F149 HydrophobicContact CD1-CE2 4.25Å; L128-F149 HydrophobicContact CD2-CE2 4.04Å; L128-F149 HydrophobicContact CD2-CZ 3.95Å; L128-F149 HydrophobicContact CG-CE2 4.08Å; L128-F149 HydrophobicContact CG-CZ 4.49Å; T134-F149 HydrophobicContact CG2-CE1 3.74Å; T134-F149 HydrophobicContact CG2-CZ 3.89Å; L136-F149 HydrophobicContact CD1-CD1 4.06Å; L136-F149 HydrophobicContact CD1-CE1 4.35Å; L136-F149 HydrophobicContact CD2-CD1 4.42Å; P146-F149 PolarHBondContact O-N 3.44Å; F149-Q151 VanDerWaalsContact C-N 3.31Å; F149-Q151 PolarHBondContact O-N 3Å; F149-M152 CarbonylContact O-C 3.54Å; F149-M152 WeakPolarHBondContact O-CA 3.41Å; F149-M152 WeakPolarHBondContact O-CB 3.29Å; F149-M152 PolarHBondContact O-N 3.06Å; F149-L153 HydrophobicContact CE1-CB 4.21Å; F149-L153 HydrophobicContact CE1-CD2 4.03Å; F149-L153 HydrophobicContact CZ-CB 4.2Å; F149-L153 HydrophobicContact CZ-CD2 4.42Å; F149-L153 WeakPolarHBondContact O-CB 3.02Å; F149-L153 PolarHBondContact O-N 3.07Å |
| 150 | K | 98 | Very high | 96.8 | Very high | 39 Ų | 39 | 72.5 Ų | 72.5 | 17% | 0.17 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -54.3 | -44.7 | 175.7 | -179 | 174.1 | 179.8 | -83.8 | 0 | 112.3 | L136 Y138 E140 P146 K147 M152 L153 V154 I166 | L136-K150 HydrophobicContact CD2-CB 3.92Å; L136-K150 HydrophobicContact CD2-CD 4.47Å; L136-K150 HydrophobicContact CD2-CG 4.18Å; Y138-K150 HydrophobicContact CD1-CD 3.55Å; Y138-K150 HydrophobicContact CE1-CD 3.58Å; E140-K150 VanDerWaalsContact OE1-CE 3.3Å; E140-K150 WeakPolarHBondContact OE1-CE 3.37Å; E140-K150 IonicContact OE1-NZ 2.59Å; E140-K150 PolarHBondContact OE1-NZ 3.47Å; P146-K150 PolarHBondContact O-N 3.11Å; K147-K150 PolarHBondContact O-N 3.31Å; K150-M152 VanDerWaalsContact C-N 3.34Å; K150-M152 PolarHBondContact O-N 3.35Å; K150-L153 PolarHBondContact O-N 3.22Å; K150-V154 WeakPolarHBondContact O-CG2 3.47Å; K150-V154 PolarHBondContact O-N 3.29Å; K150-I166 HydrophobicContact CG-CD1 4.49Å |
| 151 | Q | 97.4 | Very high | 96.9 | Very high | 113 Ų | 113 | 74.2 Ų | 74.2 | 53% | 0.528 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 176.5 | -176.3 | 62.2 | 63 | 0 | 0 | 111.7 | K147 F149 V154 D155 | K147-Q151 PolarHBondContact O-N 2.87Å; F149-Q151 VanDerWaalsContact C-N 3.31Å; F149-Q151 PolarHBondContact O-N 3Å; Q151-V154 PolarHBondContact O-N 2.87Å; Q151-D155 PolarHBondContact NE2-OD1 3.31Å; Q151-D155 VanDerWaalsContact O-CG 3.31Å; Q151-D155 PolarHBondContact O-N 2.98Å |
| 152 | M | 98.1 | Very high | 97.1 | Very high | 23 Ų | 23 | 66.5 Ų | 66.5 | 11% | 0.113 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 176.4 | -175.2 | -175.8 | -61.5 | 0 | 0 | 112.2 | K121 D124 Q125 L128 F148 F149 K150 D155 F156 | K121-M152 HydrophobicContact CB-CE 4.33Å; K121-M152 HydrophobicContact CD-CE 4.39Å; K121-M152 HydrophobicContact CG-CE 3.36Å; K121-M152 WeakPolarHBondContact O-CE 3.49Å; D124-M152 HydrophobicContact CB-CE 3.87Å; D124-M152 HydrophobicContact CB-SD 3.55Å; D124-M152 VanDerWaalsContact CB-SD 3.55Å; Q125-M152 HydrophobicContact CB-SD 4.21Å; L128-M152 HydrophobicContact CD1-CG 3.79Å; L128-M152 HydrophobicContact CD1-SD 3.94Å; F148-M152 PolarHBondContact O-N 2.95Å; F149-M152 CarbonylContact O-C 3.54Å; F149-M152 WeakPolarHBondContact O-CA 3.41Å; F149-M152 WeakPolarHBondContact O-CB 3.29Å; F149-M152 PolarHBondContact O-N 3.06Å; K150-M152 VanDerWaalsContact C-N 3.34Å; K150-M152 PolarHBondContact O-N 3.35Å; M152-D155 PolarHBondContact O-N 3.43Å; M152-F156 WeakPolarHBondContact O-CB 3.42Å; M152-F156 PolarHBondContact O-N 2.83Å |
| 153 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60 | -46.5 | 176.9 | 171.7 | 60.6 | 0 | 0 | 0 | 111.1 | L128 T134 L136 F149 K150 F156 M157 Y162 C164 | L128-L153 HydrophobicContact CD2-CD1 3.66Å; T134-L153 HydrophobicContact CG2-CD2 4.1Å; L136-L153 HydrophobicContact CD2-CD2 4.3Å; F149-L153 HydrophobicContact CE1-CB 4.21Å; F149-L153 HydrophobicContact CE1-CD2 4.03Å; F149-L153 HydrophobicContact CZ-CB 4.2Å; F149-L153 HydrophobicContact CZ-CD2 4.42Å; F149-L153 WeakPolarHBondContact O-CB 3.02Å; F149-L153 PolarHBondContact O-N 3.07Å; K150-L153 PolarHBondContact O-N 3.22Å; L153-F156 PolarHBondContact O-N 2.91Å; L153-M157 HydrophobicContact CD1-CG 4.11Å; L153-M157 HydrophobicContact CD1-SD 4.23Å; L153-M157 HydrophobicContact CG-CE 4.13Å; L153-M157 HydrophobicContact CG-SD 4.44Å; L153-M157 WeakPolarHBondContact O-CG 3.44Å; L153-M157 PolarHBondContact O-N 3.39Å; L153-Y162 HydrophobicContact CD1-CD1 3.83Å; L153-Y162 HydrophobicContact CD1-CE1 3.61Å; L153-C164 HydrophobicContact CD1-CB 4.11Å; L153-C164 HydrophobicContact CD2-CB 3.72Å; L153-C164 HydrophobicContact CG-CB 4.29Å |
| 154 | V | 97.7 | Very high | 97.3 | Very high | 46 Ų | 46 | 62.3 Ų | 62.3 | 28% | 0.279 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.1 | -50 | 174.9 | 172.5 | 0 | 0 | 0 | 0 | 111 | K150 Q151 F156 M157 D158 | K150-V154 WeakPolarHBondContact O-CG2 3.47Å; K150-V154 PolarHBondContact O-N 3.29Å; Q151-V154 PolarHBondContact O-N 2.87Å; V154-F156 PolarHBondContact O-N 3.25Å; V154-F156 VanDerWaalsContact O-N 3.16Å; V154-M157 HydrophobicContact CG2-CE 4.25Å; V154-M157 PolarHBondContact O-N 3.2Å; V154-D158 PolarHBondContact O-N 3.39Å |
| 155 | D | 98 | Very high | 97.4 | Very high | 67 Ų | 67 | 63.5 Ų | 63.5 | 36% | 0.358 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.5 | -25.7 | 178.8 | -70.2 | 1.9 | 0 | 0 | 0 | 113.4 | Q151 M152 K159 | Q151-D155 PolarHBondContact NE2-OD1 3.31Å; Q151-D155 VanDerWaalsContact O-CG 3.31Å; Q151-D155 PolarHBondContact O-N 2.98Å; M152-D155 PolarHBondContact O-N 3.43Å; D155-K159 WeakPolarHBondContact O-CD 3.33Å; D155-K159 VanDerWaalsContact O-CE 3.32Å; D155-K159 WeakPolarHBondContact O-CE 3.37Å; D155-K159 PolarHBondContact O-NZ 2.9Å; D155-K159 VanDerWaalsContact O-NZ 3.12Å |
| 156 | F | 98.3 | Very high | 97.5 | Very high | 32 Ų | 32 | 63.9 Ų | 63.9 | 14% | 0.14 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -82.1 | -42.5 | 178 | -170.8 | -95.2 | 0 | 0 | 0 | 111.5 | L128 E129 M152 L153 V154 D158 K159 T160 Y162 | L128-F156 HydrophobicContact CB-CD1 4.05Å; L128-F156 HydrophobicContact CB-CD2 4.1Å; L128-F156 HydrophobicContact CB-CE1 3.99Å; L128-F156 HydrophobicContact CB-CE2 4.05Å; L128-F156 HydrophobicContact CB-CG 4.1Å; L128-F156 HydrophobicContact CB-CZ 3.99Å; L128-F156 HydrophobicContact CD1-CB 3.93Å; L128-F156 HydrophobicContact CD1-CD2 4.29Å; L128-F156 HydrophobicContact CD1-CG 4.02Å; L128-F156 HydrophobicContact CD2-CD1 4.44Å; E129-F156 HydrophobicContact CG-CE2 4.22Å; E129-F156 HydrophobicContact CG-CZ 4.49Å; M152-F156 WeakPolarHBondContact O-CB 3.42Å; M152-F156 PolarHBondContact O-N 2.83Å; L153-F156 PolarHBondContact O-N 2.91Å; V154-F156 PolarHBondContact O-N 3.25Å; V154-F156 VanDerWaalsContact O-N 3.16Å; F156-D158 VanDerWaalsContact C-N 3.32Å; F156-D158 PolarHBondContact O-N 2.74Å; F156-K159 PolarHBondContact O-N 3.11Å; F156-K159 VanDerWaalsContact O-N 3.16Å; F156-T160 HydrophobicContact CD1-CG2 4.22Å; F156-T160 HydrophobicContact CE1-CG2 3.95Å; F156-T160 HydrophobicContact CE2-CG2 4.28Å; F156-T160 HydrophobicContact CZ-CG2 3.99Å; F156-T160 WeakPolarHBondContact O-CB 3.45Å; F156-T160 WeakPolarHBondContact O-CG2 3.32Å; F156-T160 PolarHBondContact O-N 2.87Å; F156-T160 PolarHBondContact O-OG1 3.42Å; F156-Y162 HydrophobicContact CD1-CD1 4.17Å; F156-Y162 HydrophobicContact CD1-CD2 4.14Å; F156-Y162 AromaticContact CD1-CG 3.76Å; F156-Y162 HydrophobicContact CD1-CG 3.76Å; F156-Y162 HydrophobicContact CE1-CD1 4.42Å; F156-Y162 AromaticContact CE1-CD2 3.57Å; F156-Y162 HydrophobicContact CE1-CD2 3.57Å; F156-Y162 HydrophobicContact CE1-CE2 4.28Å; F156-Y162 AromaticContact CE1-CG 3.64Å; F156-Y162 HydrophobicContact CE1-CG 3.64Å |
| 157 | M | 97.9 | Very high | 97.4 | Very high | 50 Ų | 50 | 63.6 Ų | 63.6 | 25% | 0.246 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.6 | -37.4 | 175.1 | -69.3 | -171.9 | -60.8 | 0 | 0 | 112 | L153 V154 K159 T160 Y162 C164 | L153-M157 HydrophobicContact CD1-CG 4.11Å; L153-M157 HydrophobicContact CD1-SD 4.23Å; L153-M157 HydrophobicContact CG-CE 4.13Å; L153-M157 HydrophobicContact CG-SD 4.44Å; L153-M157 WeakPolarHBondContact O-CG 3.44Å; L153-M157 PolarHBondContact O-N 3.39Å; V154-M157 HydrophobicContact CG2-CE 4.25Å; V154-M157 PolarHBondContact O-N 3.2Å; M157-K159 PolarHBondContact O-N 2.63Å; M157-T160 PolarHBondContact O-N 2.87Å; M157-Y162 HydrophobicContact CG-CD1 4.24Å; M157-Y162 WeakPolarHBondContact CG-O 3.49Å; M157-C164 VanDerWaalsContact CE-SG 3.59Å; M157-C164 HydrophobicContact SD-CB 4.04Å; M157-C164 PolarHBondContact SD-SG 3.21Å |
| 158 | D | 97.4 | Very high | 97.3 | Very high | 132 Ų | 132 | 62.5 Ų | 62.5 | 71% | 0.706 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -18.6 | 176.6 | -77.6 | -10.6 | 0 | 0 | 0 | 113.7 | V154 F156 | V154-D158 PolarHBondContact O-N 3.39Å; F156-D158 VanDerWaalsContact C-N 3.32Å; F156-D158 PolarHBondContact O-N 2.74Å |
| 159 | K | 97.2 | Very high | 97.2 | Very high | 163 Ų | 163 | 57.8 Ų | 57.8 | 71% | 0.709 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | -4.9 | -174.6 | -62.6 | 169.9 | -166.3 | 141.5 | 0 | 113.3 | D155 F156 M157 | D155-K159 WeakPolarHBondContact O-CD 3.33Å; D155-K159 VanDerWaalsContact O-CE 3.32Å; D155-K159 WeakPolarHBondContact O-CE 3.37Å; D155-K159 PolarHBondContact O-NZ 2.9Å; D155-K159 VanDerWaalsContact O-NZ 3.12Å; F156-K159 PolarHBondContact O-N 3.11Å; F156-K159 VanDerWaalsContact O-N 3.16Å; M157-K159 PolarHBondContact O-N 2.63Å |
| 160 | T | 97.1 | Very high | 97.1 | Very high | 54 Ų | 54 | 63.2 Ų | 63.2 | 33% | 0.331 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -141.2 | 179.2 | -170.6 | 67.9 | 0 | 0 | 0 | 0 | 110.7 | F156 M157 Y162 | F156-T160 HydrophobicContact CD1-CG2 4.22Å; F156-T160 HydrophobicContact CE1-CG2 3.95Å; F156-T160 HydrophobicContact CE2-CG2 4.28Å; F156-T160 HydrophobicContact CZ-CG2 3.99Å; F156-T160 WeakPolarHBondContact O-CB 3.45Å; F156-T160 WeakPolarHBondContact O-CG2 3.32Å; F156-T160 PolarHBondContact O-N 2.87Å; F156-T160 PolarHBondContact O-OG1 3.42Å; M157-T160 PolarHBondContact O-N 2.87Å; T160-Y162 VanDerWaalsContact C-N 3.28Å; T160-Y162 WeakPolarHBondContact OG1-CB 3.46Å; T160-Y162 PolarHBondContact OG1-N 3.3Å |
| 161 | N | 95.1 | Very high | 97 | Very high | 169 Ų | 169 | 64.7 Ų | 64.7 | 90% | 0.904 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -95.4 | 17.1 | 169.3 | -61.7 | -41.9 | 0 | 0 | 0 | 111.8 | ||
| 162 | Y | 97.8 | Very high | 96.8 | Very high | 21 Ų | 21 | 60.1 Ų | 60.1 | 8% | 0.082 | 32% | 0.315 | C | S | . | . | trans | -65.2 | 143.2 | -179.5 | -165.4 | -88.5 | 0 | 0 | 0 | 109.9 | L128 S131 Q133 T134 L153 F156 M157 T160 | L128-Y162 HydrophobicContact CD2-CD1 4.4Å; L128-Y162 HydrophobicContact CD2-CE1 3.73Å; L128-Y162 HydrophobicContact CD2-CE2 4.49Å; L128-Y162 VanDerWaalsContact O-CE2 3.27Å; L128-Y162 WeakPolarHBondContact O-CE2 3.48Å; S131-Y162 WeakPolarHBondContact O-CE2 3.37Å; S131-Y162 WeakPolarHBondContact OG-CE2 3.38Å; S131-Y162 PolarHBondContact OG-OH 3.03Å; Q133-Y162 PolarHBondContact O-OH 3.38Å; T134-Y162 PolarHBondContact N-OH 3.39Å; T134-Y162 WeakPolarHBondContact OG1-CE1 3.15Å; T134-Y162 PolarHBondContact OG1-OH 2.82Å; L153-Y162 HydrophobicContact CD1-CD1 3.83Å; L153-Y162 HydrophobicContact CD1-CE1 3.61Å; F156-Y162 HydrophobicContact CD1-CD1 4.17Å; F156-Y162 HydrophobicContact CD1-CD2 4.14Å; F156-Y162 AromaticContact CD1-CG 3.76Å; F156-Y162 HydrophobicContact CD1-CG 3.76Å; F156-Y162 HydrophobicContact CE1-CD1 4.42Å; F156-Y162 AromaticContact CE1-CD2 3.57Å; F156-Y162 HydrophobicContact CE1-CD2 3.57Å; F156-Y162 HydrophobicContact CE1-CE2 4.28Å; F156-Y162 AromaticContact CE1-CG 3.64Å; F156-Y162 HydrophobicContact CE1-CG 3.64Å; M157-Y162 HydrophobicContact CG-CD1 4.24Å; M157-Y162 WeakPolarHBondContact CG-O 3.49Å; T160-Y162 VanDerWaalsContact C-N 3.28Å; T160-Y162 WeakPolarHBondContact OG1-CB 3.46Å; T160-Y162 PolarHBondContact OG1-N 3.3Å | ||
| 163 | T | 96.2 | Very high | 96.5 | Very high | 71 Ų | 71 | 62.2 Ų | 62.2 | 44% | 0.436 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 160.9 | -178.4 | 58.4 | 0 | 0 | 0 | 0 | 110.5 | Q133 T134 | Q133-T163 VanDerWaalsContact CA-O 3.28Å; Q133-T163 WeakPolarHBondContact CA-O 3.31Å; Q133-T163 WeakPolarHBondContact CG-O 3.41Å; T134-T163 PolarHBondContact N-O 3.2Å; T134-T163 VanDerWaalsContact N-O 3.15Å |
| 164 | C | 97.6 | Very high | 96.4 | Very high | 37 Ų | 37 | 64.6 Ų | 64.6 | 25% | 0.25 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 158.4 | 172 | 68.3 | 0 | 0 | 0 | 0 | 111.8 | T134 L153 M157 | T134-C164 CarbonylContact O-C 3.57Å; T134-C164 WeakPolarHBondContact O-CA 3.4Å; T134-C164 WeakPolarHBondContact O-CB 3.15Å; L153-C164 HydrophobicContact CD1-CB 4.11Å; L153-C164 HydrophobicContact CD2-CB 3.72Å; L153-C164 HydrophobicContact CG-CB 4.29Å; M157-C164 VanDerWaalsContact CE-SG 3.59Å; M157-C164 HydrophobicContact SD-CB 4.04Å; M157-C164 PolarHBondContact SD-SG 3.21Å |
| 165 | D | 97.6 | Very high | 96.2 | Very high | 43 Ų | 43 | 64.2 Ų | 64.2 | 23% | 0.23 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 112.2 | 164.8 | -176.4 | 9.8 | 0 | 0 | 0 | 107.3 | K35 T134 L135 L136 | K35-D165 WeakPolarHBondContact CE-OD2 3.48Å; K35-D165 IonicContact NZ-OD1 2.69Å; K35-D165 IonicContact NZ-OD2 3.8Å; K35-D165 PolarHBondContact NZ-OD2 3.17Å; T134-D165 PolarHBondContact O-N 2.95Å; L135-D165 WeakPolarHBondContact CA-O 3.43Å; L135-D165 HydrophobicContact CD1-CB 3.93Å; L136-D165 PolarHBondContact N-O 3.18Å |
| 166 | I | 97.5 | Very high | 95.9 | Very high | 52 Ų | 52 | 62.6 Ų | 62.6 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 105.9 | 178 | -55.6 | -178.8 | 0 | 0 | 0 | 107.6 | L136 K150 | L136-I166 HydrophobicContact CB-CG1 4.37Å; L136-I166 HydrophobicContact CD2-CD1 4.38Å; L136-I166 HydrophobicContact CD2-CG1 4.24Å; L136-I166 HydrophobicContact CD2-CG2 4.33Å; L136-I166 HydrophobicContact CG-CG2 4.5Å; L136-I166 CarbonylContact O-C 3.6Å; L136-I166 WeakPolarHBondContact O-CA 3.39Å; K150-I166 HydrophobicContact CG-CD1 4.49Å |
| 167 | V | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 119.9 | -178.2 | 173.4 | 0 | 0 | 0 | 0 | 109.5 | F31 L135 L136 I137 Y138 E171 | F31-V167 HydrophobicContact CD1-CG1 4.37Å; F31-V167 HydrophobicContact CE1-CB 4.06Å; F31-V167 HydrophobicContact CE1-CG1 3.33Å; F31-V167 HydrophobicContact CE1-CG2 3.77Å; F31-V167 HydrophobicContact CE2-CG1 4.33Å; F31-V167 HydrophobicContact CZ-CB 4.17Å; F31-V167 HydrophobicContact CZ-CG1 3.28Å; F31-V167 HydrophobicContact CZ-CG2 3.82Å; L135-V167 HydrophobicContact CD1-CG2 3.76Å; L136-V167 PolarHBondContact O-N 2.96Å; I137-V167 HydrophobicContact CG1-CB 4.25Å; Y138-V167 CarbonylContact C-O 3.59Å; Y138-V167 PolarHBondContact N-O 3.42Å; Y138-V167 VanDerWaalsContact O-O 3.06Å; V167-E171 HydrophobicContact CG1-CB 4.39Å |
| 168 | T | 96 | Very high | 95.3 | Very high | 48 Ų | 48 | 67.4 Ų | 67.4 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | trans | -91.2 | 170.4 | 173.8 | 65.3 | 0 | 0 | 0 | 0 | 111.6 | D170 E171 L172 | T168-D170 VanDerWaalsContact C-N 3.26Å; T168-D170 PolarHBondContact O-N 3.47Å; T168-E171 PolarHBondContact O-N 2.92Å; T168-L172 PolarHBondContact O-N 3.2Å | ||
| 169 | F | 93.6 | Very high | 95 | Very high | 44 Ų | 44 | 62.7 Ų | 62.7 | 19% | 0.193 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.4 | -24.2 | 176.9 | -63 | -38.3 | 0 | 0 | 0 | 113.4 | Y10 L15 D139 Q142 L172 T173 | Y10-F169 HydrophobicContact CD2-CE1 4.21Å; Y10-F169 HydrophobicContact CD2-CZ 4.06Å; Y10-F169 AromaticContact CE2-CE1 3.76Å; Y10-F169 HydrophobicContact CE2-CE1 3.76Å; Y10-F169 HydrophobicContact CE2-CE2 4.33Å; Y10-F169 AromaticContact CE2-CZ 3.41Å; Y10-F169 HydrophobicContact CE2-CZ 3.41Å; Y10-F169 VanDerWaalsContact CE2-CZ 3.41Å; Y10-F169 AromaticContact CZ-CZ 3.78Å; L15-F169 HydrophobicContact CD2-CE1 3.78Å; L15-F169 HydrophobicContact CD2-CZ 3.53Å; D139-F169 HydrophobicContact CB-CD2 3.51Å; D139-F169 HydrophobicContact CB-CE2 3.63Å; D139-F169 HydrophobicContact CB-CG 3.99Å; D139-F169 HydrophobicContact CB-CZ 4.2Å; D139-F169 WeakPolarHBondContact OD2-CB 3.3Å; D139-F169 WeakPolarHBondContact OD2-CD2 3.43Å; D139-F169 PolarHBondContact OD2-N 3.29Å; Q142-F169 HydrophobicContact CB-CE2 3.69Å; Q142-F169 HydrophobicContact CG-CE2 4.2Å; F169-L172 HydrophobicContact CD1-CD2 4.31Å; F169-L172 PolarHBondContact O-N 3.16Å; F169-T173 VanDerWaalsContact O-CB 3.24Å; F169-T173 WeakPolarHBondContact O-CB 3.34Å; F169-T173 PolarHBondContact O-N 3.28Å; F169-T173 PolarHBondContact O-OG1 3.05Å |
| 170 | D | 95.3 | Very high | 94.6 | Very high | 124 Ų | 124 | 58.4 Ų | 58.4 | 66% | 0.663 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.9 | -45.7 | 173.8 | -77.5 | -15.9 | 0 | 0 | 0 | 111.5 | T168 T173 A174 | T168-D170 VanDerWaalsContact C-N 3.26Å; T168-D170 PolarHBondContact O-N 3.47Å; D170-T173 PolarHBondContact O-N 3.2Å; D170-A174 WeakPolarHBondContact O-CB 3.16Å; D170-A174 PolarHBondContact O-N 2.77Å |
| 171 | E | 95.8 | Very high | 94 | Very high | 69 Ų | 69 | 64 Ų | 64 | 32% | 0.322 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 177 | -173.8 | -176.7 | 171 | 0 | 0 | 111.4 | F31 K35 V167 T168 T173 A174 F175 | F31-E171 HydrophobicContact CE2-CG 4.16Å; F31-E171 HydrophobicContact CZ-CG 4.22Å; K35-E171 WeakPolarHBondContact CE-OE1 3.39Å; K35-E171 IonicContact NZ-OE1 3.74Å; K35-E171 PolarHBondContact NZ-OE1 3.22Å; K35-E171 IonicContact NZ-OE2 3.29Å; V167-E171 HydrophobicContact CG1-CB 4.39Å; T168-E171 PolarHBondContact O-N 2.92Å; E171-T173 VanDerWaalsContact C-N 3.29Å; E171-T173 PolarHBondContact O-N 3.04Å; E171-A174 PolarHBondContact O-N 2.89Å; E171-F175 PolarHBondContact O-N 2.99Å |
| 172 | L | 93.1 | Very high | 93.5 | Very high | 17 Ų | 17 | 59.1 Ų | 59.1 | 9% | 0.089 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 175.2 | 179.5 | 65.4 | 0 | 0 | 0 | 111.3 | L28 F31 T168 F169 F175 I176 | L28-L172 HydrophobicContact CD2-CD1 4.07Å; L28-L172 HydrophobicContact CD2-CD2 3.48Å; L28-L172 VanDerWaalsContact CD2-CD2 3.48Å; L28-L172 HydrophobicContact CD2-CG 4.45Å; L28-L172 HydrophobicContact CG-CD2 4.28Å; F31-L172 HydrophobicContact CB-CD1 3.52Å; F31-L172 HydrophobicContact CD1-CD1 4.09Å; F31-L172 HydrophobicContact CD2-CD1 3.85Å; F31-L172 HydrophobicContact CG-CD1 3.52Å; T168-L172 PolarHBondContact O-N 3.2Å; F169-L172 HydrophobicContact CD1-CD2 4.31Å; F169-L172 PolarHBondContact O-N 3.16Å; L172-F175 PolarHBondContact O-N 2.93Å; L172-I176 HydrophobicContact CD1-CD1 4.22Å; L172-I176 HydrophobicContact CG-CD1 3.94Å; L172-I176 VanDerWaalsContact O-CG1 3.23Å; L172-I176 WeakPolarHBondContact O-CG1 3.36Å; L172-I176 PolarHBondContact O-N 3.24Å |
| 173 | T | 93 | Very high | 92.8 | Very high | 68 Ų | 68 | 61.8 Ų | 61.8 | 42% | 0.417 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 179.3 | -60.7 | 0 | 0 | 0 | 0 | 111.3 | F169 D170 E171 F175 I176 N177 | F169-T173 VanDerWaalsContact O-CB 3.24Å; F169-T173 WeakPolarHBondContact O-CB 3.34Å; F169-T173 PolarHBondContact O-N 3.28Å; F169-T173 PolarHBondContact O-OG1 3.05Å; D170-T173 PolarHBondContact O-N 3.2Å; E171-T173 VanDerWaalsContact C-N 3.29Å; E171-T173 PolarHBondContact O-N 3.04Å; T173-F175 VanDerWaalsContact C-N 3.35Å; T173-F175 PolarHBondContact O-N 3.16Å; T173-I176 PolarHBondContact O-N 3.46Å; T173-N177 VanDerWaalsContact O-CG 3.24Å; T173-N177 PolarHBondContact O-N 3.08Å; T173-N177 PolarHBondContact O-ND2 3.47Å; T173-N177 VanDerWaalsContact O-ND2 3.15Å |
| 174 | A | 94.9 | Very high | 92 | Very high | 49 Ų | 49 | 64 Ų | 64 | 41% | 0.405 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.9 | -46.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | D170 E171 I176 N177 D178 | D170-A174 WeakPolarHBondContact O-CB 3.16Å; D170-A174 PolarHBondContact O-N 2.77Å; E171-A174 PolarHBondContact O-N 2.89Å; A174-I176 PolarHBondContact O-N 3.06Å; A174-N177 PolarHBondContact O-N 3.4Å; A174-D178 PolarHBondContact O-N 3.06Å |
| 175 | F | 94.3 | Very high | 90.8 | Very high | 39 Ų | 39 | 69.9 Ų | 69.9 | 17% | 0.171 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 175.9 | 174.5 | -92.4 | 0 | 0 | 0 | 112.8 | Q30 F31 H34 E171 L172 T173 N177 D178 L179 | Q30-F175 HydrophobicContact CB-CE1 3.92Å; Q30-F175 HydrophobicContact CB-CZ 4.19Å; F31-F175 HydrophobicContact CB-CD1 3.87Å; F31-F175 HydrophobicContact CB-CE1 3.9Å; F31-F175 HydrophobicContact CD2-CB 3.63Å; F31-F175 AromaticContact CD2-CD1 3.71Å; F31-F175 HydrophobicContact CD2-CD1 3.71Å; F31-F175 HydrophobicContact CD2-CD2 4.08Å; F31-F175 HydrophobicContact CD2-CE1 4.38Å; F31-F175 AromaticContact CD2-CG 3.54Å; F31-F175 HydrophobicContact CD2-CG 3.54Å; F31-F175 HydrophobicContact CE2-CB 4Å; F31-F175 HydrophobicContact CE2-CG 4.27Å; F31-F175 HydrophobicContact CG-CD1 4.3Å; H34-F175 HydrophobicContact CB-CE2 3.65Å; H34-F175 HydrophobicContact CB-CZ 3.95Å; H34-F175 AromaticContact CD2-CE2 3.93Å; H34-F175 AromaticContact CG-CE2 3.64Å; E171-F175 PolarHBondContact O-N 2.99Å; L172-F175 PolarHBondContact O-N 2.93Å; T173-F175 VanDerWaalsContact C-N 3.35Å; T173-F175 PolarHBondContact O-N 3.16Å; F175-N177 VanDerWaalsContact C-N 3.34Å; F175-N177 PolarHBondContact O-N 3.23Å; F175-D178 PolarHBondContact O-N 2.77Å; F175-L179 HydrophobicContact CE1-CD2 4.19Å; F175-L179 WeakPolarHBondContact O-CB 3.32Å; F175-L179 PolarHBondContact O-N 3.44Å |
| 176 | I | 90.8 | Very high | 89.4 | Confident | 32 Ų | 32 | 72.2 Ų | 72.2 | 16% | 0.164 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 179.1 | -70.4 | 168.8 | 0 | 0 | 0 | 110.7 | Y27 L172 T173 A174 L179 Q180 | Y27-I176 HydrophobicContact CD1-CG1 4.06Å; Y27-I176 HydrophobicContact CD1-CG2 4.01Å; Y27-I176 HydrophobicContact CD2-CG2 4.41Å; Y27-I176 HydrophobicContact CE1-CG2 4.14Å; Y27-I176 HydrophobicContact CG-CD1 4.1Å; Y27-I176 HydrophobicContact CG-CG1 3.95Å; Y27-I176 HydrophobicContact CG-CG2 4.17Å; L172-I176 HydrophobicContact CD1-CD1 4.22Å; L172-I176 HydrophobicContact CG-CD1 3.94Å; L172-I176 VanDerWaalsContact O-CG1 3.23Å; L172-I176 WeakPolarHBondContact O-CG1 3.36Å; L172-I176 PolarHBondContact O-N 3.24Å; T173-I176 PolarHBondContact O-N 3.46Å; A174-I176 PolarHBondContact O-N 3.06Å; I176-L179 PolarHBondContact O-N 2.94Å; I176-Q180 HydrophobicContact CG2-CG 4.35Å; I176-Q180 WeakPolarHBondContact O-CB 3.32Å; I176-Q180 WeakPolarHBondContact O-CG 3.4Å; I176-Q180 PolarHBondContact O-N 3.23Å |
| 177 | N | 92.3 | Very high | 87.3 | Confident | 68 Ų | 68 | 80.7 Ų | 80.7 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.2 | -52.9 | 177 | -70 | -32.8 | 0 | 0 | 0 | 109.7 | T173 A174 F175 L179 Q180 W181 | T173-N177 VanDerWaalsContact O-CG 3.24Å; T173-N177 PolarHBondContact O-N 3.08Å; T173-N177 PolarHBondContact O-ND2 3.47Å; T173-N177 VanDerWaalsContact O-ND2 3.15Å; A174-N177 PolarHBondContact O-N 3.4Å; F175-N177 VanDerWaalsContact C-N 3.34Å; F175-N177 PolarHBondContact O-N 3.23Å; N177-L179 VanDerWaalsContact C-N 3.28Å; N177-L179 PolarHBondContact O-N 3.11Å; N177-Q180 PolarHBondContact O-N 2.59Å; N177-Q180 VanDerWaalsContact O-N 3.16Å; N177-W181 VanDerWaalsContact C-CD1 3.47Å; N177-W181 PolarHBondContact O-N 3.23Å |
| 178 | D | 92.7 | Very high | 86.9 | Confident | 115 Ų | 115 | 84.7 Ų | 84.7 | 62% | 0.615 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -57.9 | -40.3 | -179.5 | -73.4 | -12.1 | 0 | 0 | 0 | 112.3 | A174 F175 S182 | A174-D178 PolarHBondContact O-N 3.06Å; F175-D178 PolarHBondContact O-N 2.77Å; D178-S182 WeakPolarHBondContact O-CB 3.42Å; D178-S182 PolarHBondContact O-N 3.03Å |
| 179 | L | 90 | Very high | 86.4 | Confident | 33 Ų | 33 | 86.6 Ų | 86.6 | 17% | 0.173 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -62.8 | -50.2 | 175.8 | -172.7 | 67.1 | 0 | 0 | 0 | 111.2 | Y27 Q30 F175 I176 N177 W181 S182 E183 | Y27-L179 HydrophobicContact CD1-CD2 4.08Å; Y27-L179 HydrophobicContact CE1-CD2 4.21Å; Q30-L179 HydrophobicContact CB-CD2 4.05Å; Q30-L179 HydrophobicContact CG-CD2 4.09Å; F175-L179 HydrophobicContact CE1-CD2 4.19Å; F175-L179 WeakPolarHBondContact O-CB 3.32Å; F175-L179 PolarHBondContact O-N 3.44Å; I176-L179 PolarHBondContact O-N 2.94Å; N177-L179 VanDerWaalsContact C-N 3.28Å; N177-L179 PolarHBondContact O-N 3.11Å; L179-W181 PolarHBondContact O-N 3.48Å; L179-S182 PolarHBondContact O-N 3.34Å; L179-S182 VanDerWaalsContact O-N 3.1Å; L179-S182 PolarHBondContact O-OG 3.05Å; L179-E183 WeakPolarHBondContact O-CG 3.32Å; L179-E183 PolarHBondContact O-N 2.9Å |
| 180 | Q | 88.8 | Confident | 86 | Confident | 73 Ų | 73 | 89 Ų | 89 | 34% | 0.341 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 177.9 | -73.4 | 178.4 | -22.1 | 0 | 0 | 112 | Y27 I176 N177 S182 E183 D184 | Y27-Q180 HydrophobicContact CE1-CG 4.24Å; Y27-Q180 PolarHBondContact OH-NE2 3.23Å; I176-Q180 HydrophobicContact CG2-CG 4.35Å; I176-Q180 WeakPolarHBondContact O-CB 3.32Å; I176-Q180 WeakPolarHBondContact O-CG 3.4Å; I176-Q180 PolarHBondContact O-N 3.23Å; N177-Q180 PolarHBondContact O-N 2.59Å; N177-Q180 VanDerWaalsContact O-N 3.16Å; Q180-S182 VanDerWaalsContact C-N 3.27Å; Q180-S182 PolarHBondContact O-N 3.29Å; Q180-E183 PolarHBondContact O-N 3.04Å; Q180-D184 PolarHBondContact O-N 3.12Å |
| 181 | W | 86 | Confident | 85.4 | Confident | 171 Ų | 171 | 86.9 Ų | 86.9 | 65% | 0.648 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -60.1 | -37 | 175.1 | -74.9 | 111.6 | 0 | 0 | 0 | 112.3 | N177 L179 Q185 | N177-W181 VanDerWaalsContact C-CD1 3.47Å; N177-W181 PolarHBondContact O-N 3.23Å; L179-W181 PolarHBondContact O-N 3.48Å; W181-Q185 WeakPolarHBondContact O-CG 3.42Å; W181-Q185 PolarHBondContact O-N 3.33Å |
| 182 | S | 84 | Confident | 84.8 | Confident | 68 Ų | 68 | 88.1 Ų | 88.1 | 48% | 0.476 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -72.5 | -37.2 | 178 | 77.9 | 0 | 0 | 0 | 0 | 112.8 | D178 L179 Q180 Q185 S186 | D178-S182 WeakPolarHBondContact O-CB 3.42Å; D178-S182 PolarHBondContact O-N 3.03Å; L179-S182 PolarHBondContact O-N 3.34Å; L179-S182 VanDerWaalsContact O-N 3.1Å; L179-S182 PolarHBondContact O-OG 3.05Å; Q180-S182 VanDerWaalsContact C-N 3.27Å; Q180-S182 PolarHBondContact O-N 3.29Å; S182-Q185 PolarHBondContact O-N 3.17Å; S182-S186 PolarHBondContact O-N 3.08Å |
| 183 | E | 83.1 | Confident | 84.2 | Confident | 77 Ų | 77 | 92.8 Ų | 92.8 | 36% | 0.36 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.7 | -43.1 | 176.7 | -71.8 | -179 | 158.5 | 0 | 0 | 110.9 | L179 Q180 Q185 S186 F187 | L179-E183 WeakPolarHBondContact O-CG 3.32Å; L179-E183 PolarHBondContact O-N 2.9Å; Q180-E183 PolarHBondContact O-N 3.04Å; E183-Q185 VanDerWaalsContact C-N 3.28Å; E183-Q185 PolarHBondContact O-N 3.18Å; E183-S186 WeakPolarHBondContact O-CB 3.36Å; E183-S186 PolarHBondContact O-N 3.04Å; E183-S186 VanDerWaalsContact O-N 3.08Å; E183-S186 PolarHBondContact O-OG 2.6Å; E183-F187 VanDerWaalsContact O-CD2 3.24Å; E183-F187 WeakPolarHBondContact O-CD2 3.02Å |
| 184 | D | 79.3 | Confident | 83.6 | Confident | 117 Ų | 117 | 94.6 Ų | 94.6 | 63% | 0.626 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.3 | -29.6 | 178.6 | -80 | -15.4 | 0 | 0 | 0 | 113.5 | Q180 S186 | Q180-D184 PolarHBondContact O-N 3.12Å; D184-S186 VanDerWaalsContact C-N 3.33Å |
| 185 | Q | 71.5 | Confident | 82.7 | Confident | 161 Ų | 161 | 98.1 Ų | 98.1 | 75% | 0.752 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -12.7 | 176.2 | -71.2 | -172.5 | 27.8 | 0 | 0 | 113.9 | W181 S182 E183 F187 | W181-Q185 WeakPolarHBondContact O-CG 3.42Å; W181-Q185 PolarHBondContact O-N 3.33Å; S182-Q185 PolarHBondContact O-N 3.17Å; E183-Q185 VanDerWaalsContact C-N 3.28Å; E183-Q185 PolarHBondContact O-N 3.18Å; Q185-F187 VanDerWaalsContact C-N 3.3Å |
| 186 | S | 68.4 | Low | 81.8 | Confident | 91 Ų | 91 | 103 Ų | 103 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -4.9 | -178.6 | 74.3 | 0 | 0 | 0 | 0 | 113.9 | S182 E183 D184 | S182-S186 PolarHBondContact O-N 3.08Å; E183-S186 WeakPolarHBondContact O-CB 3.36Å; E183-S186 PolarHBondContact O-N 3.04Å; E183-S186 VanDerWaalsContact O-N 3.08Å; E183-S186 PolarHBondContact O-OG 2.6Å; D184-S186 VanDerWaalsContact C-N 3.33Å |
| 187 | F | 54.1 | Low | 80.9 | Confident | 230 Ų | 230 | 109.5 Ų | 109.5 | 100% | 1.009 | 55% | 0.545 | S | S | * | . | trans | -101.9 | 0 | 175.8 | -65.5 | -76.8 | 0 | 0 | 0 | 112.5 | E183 Q185 | E183-F187 VanDerWaalsContact O-CD2 3.24Å; E183-F187 WeakPolarHBondContact O-CD2 3.02Å; Q185-F187 VanDerWaalsContact C-N 3.3Å |
Retrieved 187 of 187 residues in 39.3 ms
(Link to these results)