| 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 | 89 | Confident | 95.7 | Very high | 77 Ų | 77 | 24.9 Ų | 24.9 | 38% | 0.379 | 12% | 0.118 | S | C | . | . | 0 | 142.4 | 0 | 175.7 | -177.7 | 66.6 | 0 | 0 | 108.9 | L3 I103 Y107 V118 Y136 | M1-L3 HydrophobicContact CE-CD2 3.97Å; M1-L3 HydrophobicContact SD-CD2 4.4Å; M1-I103 HydrophobicContact CE-CD1 4.24Å; M1-I103 HydrophobicContact CE-CG2 3.69Å; M1-Y107 WeakPolarHBondContact CB-OH 3.41Å; M1-Y107 HydrophobicContact CE-CE2 3.84Å; M1-Y107 HydrophobicContact SD-CE2 3.85Å; M1-V118 HydrophobicContact CG-CG2 4.19Å; M1-V118 HydrophobicContact SD-CB 4.24Å; M1-V118 HydrophobicContact SD-CG2 3.56Å; M1-V118 VanDerWaalsContact SD-CG2 3.56Å; M1-Y136 HydrophobicContact CB-CD1 4.29Å; M1-Y136 HydrophobicContact CB-CE1 4.4Å; M1-Y136 HydrophobicContact CE-CD1 3.58Å; M1-Y136 HydrophobicContact CE-CD2 3.82Å; M1-Y136 HydrophobicContact CE-CE1 3.36Å; M1-Y136 HydrophobicContact CE-CE2 3.61Å; M1-Y136 HydrophobicContact CE-CG 3.8Å | |||
| 2 | R | 95.1 | Very high | 95.2 | Very high | 67 Ų | 67 | 30.3 Ų | 30.3 | 25% | 0.253 | 15% | 0.148 | S | C | . | . | trans | -107.1 | 142.4 | 166.1 | -177.5 | 176.7 | 69.6 | -126.2 | -10.4 | 107.4 | N4 E117 P137 R139 | R2-N4 PolarHBondContact NE-OD1 3.16Å; R2-N4 PolarHBondContact NH2-OD1 3.35Å; R2-N4 VanDerWaalsContact NH2-OD1 3.13Å; R2-E117 IonicContact CZ-OE1 2.59Å; R2-E117 VanDerWaalsContact NH2-CD 3.3Å; R2-E117 IonicContact NH2-OE1 3.44Å; R2-E117 PolarHBondContact NH2-OE1 3.22Å; R2-E117 IonicContact NH2-OE2 3.73Å; R2-E117 PolarHBondContact NH2-OE2 3.35Å; R2-E117 VanDerWaalsContact NH2-OE2 3.1Å; R2-P137 HydrophobicContact CB-CG 4.26Å; R2-P137 HydrophobicContact CG-CG 4.23Å; R2-P137 WeakPolarHBondContact CG-O 3.42Å; R2-R139 HydrophobicContact CG-CB 4.34Å | ||
| 3 | L | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 118.4 | 169.9 | -64.3 | 176.5 | 0 | 0 | 0 | 108.7 | M1 F99 I103 V118 A130 Q133 Y136 P137 V138 R139 | M1-L3 HydrophobicContact CE-CD2 3.97Å; M1-L3 HydrophobicContact SD-CD2 4.4Å; L3-F99 HydrophobicContact CD1-CE2 4.46Å; L3-F99 HydrophobicContact CD1-CZ 3.68Å; L3-F99 HydrophobicContact CD2-CZ 4.48Å; L3-I103 HydrophobicContact CD2-CD1 3.86Å; L3-V118 HydrophobicContact CD2-CG1 4.43Å; L3-A130 HydrophobicContact CD1-CB 4.34Å; L3-Q133 HydrophobicContact CD1-CG 4.11Å; L3-Y136 HydrophobicContact CD1-CD2 4.09Å; L3-Y136 HydrophobicContact CD1-CG 4.45Å; L3-Y136 HydrophobicContact CG-CD2 4.31Å; L3-Y136 HydrophobicContact CG-CG 4.31Å; L3-P137 PolarHBondContact N-O 2.89Å; L3-V138 HydrophobicContact CB-CG2 4.44Å; L3-V138 CarbonylContact O-C 3.59Å; L3-V138 VanDerWaalsContact O-CA 3.31Å; L3-V138 WeakPolarHBondContact O-CA 3.27Å; L3-R139 PolarHBondContact O-N 2.96Å |
| 4 | N | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 118.9 | 174.3 | -56.6 | -72.5 | 0 | 0 | 0 | 108.7 | R2 E117 V118 F119 I120 R139 Y141 | R2-N4 PolarHBondContact NE-OD1 3.16Å; R2-N4 PolarHBondContact NH2-OD1 3.35Å; R2-N4 VanDerWaalsContact NH2-OD1 3.13Å; N4-E117 PolarHBondContact ND2-OE2 2.9Å; N4-V118 WeakPolarHBondContact CB-O 3.1Å; N4-V118 PolarHBondContact N-O 2.97Å; N4-V118 PolarHBondContact ND2-O 2.87Å; N4-F119 HydrophobicContact CB-CD1 3.37Å; N4-F119 HydrophobicContact CB-CE1 3.5Å; N4-F119 HydrophobicContact CB-CG 4.12Å; N4-F119 HydrophobicContact CB-CZ 4.32Å; N4-F119 CarbonylContact O-C 3.57Å; N4-F119 WeakPolarHBondContact O-CA 3.27Å; N4-I120 PolarHBondContact O-N 3.06Å; N4-R139 CarbonylContact C-O 3.58Å; N4-R139 VanDerWaalsContact CA-O 3.31Å; N4-R139 WeakPolarHBondContact CA-O 3.34Å; N4-Y141 HydrophobicContact CB-CD2 4.25Å; N4-Y141 HydrophobicContact CB-CE2 4.02Å |
| 5 | V | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 129.3 | 170.4 | 173.3 | 0 | 0 | 0 | 0 | 108 | V7 I120 Y127 A130 V138 R139 I140 Y141 F155 | V5-V7 HydrophobicContact CG1-CB 4.48Å; V5-V7 HydrophobicContact CG1-CG1 4.39Å; V5-I120 WeakPolarHBondContact CA-O 3.18Å; V5-I120 HydrophobicContact CG2-CB 4.35Å; V5-Y127 HydrophobicContact CG1-CD1 3.51Å; V5-Y127 HydrophobicContact CG1-CE1 3.6Å; V5-Y127 HydrophobicContact CG1-CG 4.48Å; V5-A130 HydrophobicContact CG2-CB 4.22Å; V5-V138 HydrophobicContact CG2-CG1 3.95Å; V5-R139 PolarHBondContact N-O 2.71Å; V5-I140 HydrophobicContact CB-CG1 4.35Å; V5-I140 HydrophobicContact CG1-CG2 4.38Å; V5-I140 CarbonylContact O-C 3.41Å; V5-I140 WeakPolarHBondContact O-CA 3.39Å; V5-Y141 PolarHBondContact O-N 3.3Å; V5-F155 HydrophobicContact CG1-CE2 4.04Å; V5-F155 HydrophobicContact CG1-CZ 3.94Å |
| 6 | V | 98.3 | Very high | 94.8 | Very high | 7 Ų | 7 | 29.5 Ų | 29.5 | 4% | 0.042 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 120.2 | 173.5 | -169.5 | 0 | 0 | 0 | 0 | 108.5 | F32 V35 T36 F119 I120 I121 Y127 Y141 | V6-F32 HydrophobicContact CB-CD2 4.44Å; V6-F32 HydrophobicContact CG1-CD2 3.75Å; V6-F32 HydrophobicContact CG1-CE2 4.3Å; V6-V35 HydrophobicContact CG2-CG1 4.23Å; V6-T36 HydrophobicContact CG2-CG2 4.06Å; V6-F119 HydrophobicContact CG2-CB 4.34Å; V6-F119 HydrophobicContact CG2-CD1 3.5Å; V6-F119 HydrophobicContact CG2-CE1 4.29Å; V6-F119 HydrophobicContact CG2-CG 4.33Å; V6-I120 PolarHBondContact N-O 2.72Å; V6-I121 HydrophobicContact CB-CG2 4.45Å; V6-Y127 PolarHBondContact O-OH 3.36Å; V6-Y141 WeakPolarHBondContact CA-O 3.39Å; V6-Y141 HydrophobicContact CG2-CD2 4.47Å |
| 7 | V | 97.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 146.7 | -173.7 | 66 | 0 | 0 | 0 | 0 | 111.7 | V5 V9 I15 Y127 I140 Y141 C142 T143 F155 | V5-V7 HydrophobicContact CG1-CB 4.48Å; V5-V7 HydrophobicContact CG1-CG1 4.39Å; V7-V9 HydrophobicContact CG1-CG1 4.1Å; V7-V9 HydrophobicContact CG2-CG1 3.83Å; V7-I15 HydrophobicContact CG2-CG2 3.72Å; V7-Y127 HydrophobicContact CB-CE1 4.4Å; V7-Y127 HydrophobicContact CB-CE2 4.42Å; V7-Y127 HydrophobicContact CG2-CE2 3.89Å; V7-I140 HydrophobicContact CG1-CG2 4Å; V7-Y141 PolarHBondContact N-O 2.95Å; V7-C142 CarbonylContact O-C 3.54Å; V7-C142 WeakPolarHBondContact O-CA 3.39Å; V7-T143 PolarHBondContact O-N 3.37Å; V7-F155 HydrophobicContact CB-CD2 4.31Å; V7-F155 HydrophobicContact CB-CE2 3.95Å; V7-F155 HydrophobicContact CG1-CD2 4.26Å; V7-F155 HydrophobicContact CG1-CE2 3.78Å; V7-F155 HydrophobicContact CG1-CZ 4.05Å; V7-F155 HydrophobicContact CG2-CD2 3.68Å; V7-F155 HydrophobicContact CG2-CE2 3.83Å |
| 8 | A | 96.7 | Very high | 94.6 | Very high | 9 Ų | 9 | 35.7 Ų | 35.7 | 7% | 0.074 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 129.8 | 163 | 0 | 0 | 0 | 0 | 0 | 108.9 | W23 T143 I145 | A8-W23 HydrophobicContact CB-CZ2 3.63Å; A8-T143 CarbonylContact C-O 3.58Å; A8-T143 VanDerWaalsContact CA-O 3.29Å; A8-T143 WeakPolarHBondContact CA-O 3.42Å; A8-I145 HydrophobicContact CB-CD1 4.28Å |
| 9 | V | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 135.8 | -177.2 | -60.1 | 0 | 0 | 0 | 0 | 110.4 | V7 W13 G14 I15 C142 T143 I145 F155 | V7-V9 HydrophobicContact CG1-CG1 4.1Å; V7-V9 HydrophobicContact CG2-CG1 3.83Å; V9-W13 HydrophobicContact CB-CE3 4.25Å; V9-W13 HydrophobicContact CG1-CE3 4.35Å; V9-W13 HydrophobicContact CG2-CE3 4.11Å; V9-W13 HydrophobicContact CG2-CZ3 3.95Å; V9-G14 CarbonylContact C-O 3.56Å; V9-G14 WeakPolarHBondContact CA-O 3.32Å; V9-I15 HydrophobicContact CG1-CG2 3.89Å; V9-C142 VanDerWaalsContact CG2-SG 3.52Å; V9-T143 PolarHBondContact N-O 3.4Å; V9-I145 PolarHBondContact O-N 2.88Å; V9-F155 HydrophobicContact CG1-CB 4.07Å; V9-F155 HydrophobicContact CG1-CG 4.2Å |
| 10 | S | 94.8 | Very high | 94 | Very high | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.028 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 173.5 | 166.9 | 68.9 | 0 | 0 | 0 | 0 | 111.4 | N12 W13 G14 I145 | S10-N12 PolarHBondContact O-N 3.46Å; S10-N12 VanDerWaalsContact O-N 3.15Å; S10-W13 PolarHBondContact O-N 3.43Å; S10-G14 PolarHBondContact N-O 2.83Å; S10-G14 WeakPolarHBondContact OG-CA 3.29Å; S10-G14 PolarHBondContact OG-N 2.82Å; S10-I145 CarbonylContact C-O 3.51Å; S10-I145 WeakPolarHBondContact CA-O 2.94Å |
| 11 | E | 90.7 | Very high | 93.9 | Very high | 103 Ų | 103 | 37.6 Ų | 37.6 | 48% | 0.481 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -32.2 | 177.3 | -64.5 | -165.3 | 154.8 | 0 | 0 | 112.9 | W13 I145 | E11-W13 VanDerWaalsContact C-N 3.32Å; E11-W13 PolarHBondContact O-N 2.8Å; E11-I145 PolarHBondContact N-O 3.14Å |
| 12 | N | 89.6 | Confident | 94 | Very high | 89 Ų | 89 | 35.6 Ų | 35.6 | 48% | 0.476 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 21.9 | 177.4 | -67.3 | -32.7 | 0 | 0 | 0 | 113.2 | S10 G14 Y154 | S10-N12 PolarHBondContact O-N 3.46Å; S10-N12 VanDerWaalsContact O-N 3.15Å; N12-G14 PolarHBondContact O-N 3.31Å; N12-Y154 VanDerWaalsContact O-CD1 3.26Å; N12-Y154 WeakPolarHBondContact O-CD1 3.34Å; N12-Y154 WeakPolarHBondContact O-CE1 3.32Å |
| 13 | W | 92.5 | Very high | 93.9 | Very high | 84 Ų | 84 | 33.1 Ų | 33.1 | 32% | 0.318 | 20% | 0.198 | S | C | . | . | trans | 62.5 | 18.9 | -178.6 | -52.1 | 95.8 | 0 | 0 | 0 | 114.9 | V9 S10 E11 Y154 F155 W160 | V9-W13 HydrophobicContact CB-CE3 4.25Å; V9-W13 HydrophobicContact CG1-CE3 4.35Å; V9-W13 HydrophobicContact CG2-CE3 4.11Å; V9-W13 HydrophobicContact CG2-CZ3 3.95Å; S10-W13 PolarHBondContact O-N 3.43Å; E11-W13 VanDerWaalsContact C-N 3.32Å; E11-W13 PolarHBondContact O-N 2.8Å; W13-Y154 CarbonylContact O-C 3.43Å; W13-Y154 WeakPolarHBondContact O-CA 3.46Å; W13-F155 HydrophobicContact CB-CB 4.47Å; W13-F155 PolarHBondContact O-N 2.87Å; W13-W160 HydrophobicContact CD2-CZ2 4.41Å; W13-W160 AromaticContact CD2-NE1 3.77Å; W13-W160 AromaticContact CE2-CD1 3.88Å; W13-W160 AromaticContact CE2-NE1 3.57Å; W13-W160 HydrophobicContact CE3-CD2 4.46Å; W13-W160 AromaticContact CE3-CE2 3.53Å; W13-W160 HydrophobicContact CE3-CH2 4.17Å; W13-W160 AromaticContact CE3-CZ2 3.38Å; W13-W160 HydrophobicContact CE3-CZ2 3.38Å; W13-W160 AromaticContact CE3-NE1 3.54Å; W13-W160 HydrophobicContact CH2-CB 4.37Å; W13-W160 AromaticContact CH2-CD1 3.19Å; W13-W160 AromaticContact CH2-CD2 3.09Å; W13-W160 HydrophobicContact CH2-CD2 3.09Å; W13-W160 AromaticContact CH2-CE2 2.98Å; W13-W160 AromaticContact CH2-CE3 3.75Å; W13-W160 HydrophobicContact CH2-CE3 3.75Å; W13-W160 AromaticContact CH2-CG 3.31Å; W13-W160 HydrophobicContact CH2-CG 3.31Å; W13-W160 HydrophobicContact CH2-CH2 4.17Å; W13-W160 AromaticContact CH2-CZ2 3.59Å; W13-W160 HydrophobicContact CH2-CZ2 3.59Å; W13-W160 HydrophobicContact CH2-CZ3 4.23Å; W13-W160 AromaticContact CH2-NE1 2.98Å; W13-W160 AromaticContact CZ2-CD1 3.13Å; W13-W160 AromaticContact CZ2-CD2 3.92Å; W13-W160 HydrophobicContact CZ2-CD2 3.92Å; W13-W160 AromaticContact CZ2-CE2 3.71Å; W13-W160 AromaticContact CZ2-CG 3.66Å; W13-W160 HydrophobicContact CZ2-CG 3.66Å; W13-W160 AromaticContact CZ2-NE1 3.15Å; W13-W160 AromaticContact CZ3-CD1 3.92Å; W13-W160 AromaticContact CZ3-CD2 3.44Å; W13-W160 HydrophobicContact CZ3-CD2 3.44Å; W13-W160 VanDerWaalsContact CZ3-CD2 3.44Å; W13-W160 AromaticContact CZ3-CE2 2.88Å; W13-W160 AromaticContact CZ3-CE3 3.89Å; W13-W160 HydrophobicContact CZ3-CE3 3.89Å; W13-W160 HydrophobicContact CZ3-CG 4.11Å; W13-W160 AromaticContact CZ3-CH2 3.44Å; W13-W160 HydrophobicContact CZ3-CH2 3.44Å; W13-W160 VanDerWaalsContact CZ3-CH2 3.44Å; W13-W160 AromaticContact CZ3-CZ2 2.91Å; W13-W160 HydrophobicContact CZ3-CZ2 2.91Å; W13-W160 AromaticContact CZ3-CZ3 3.9Å; W13-W160 HydrophobicContact CZ3-CZ3 3.9Å; W13-W160 AromaticContact CZ3-NE1 3.2Å | ||
| 14 | G | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 139.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | V9 S10 N12 | V9-G14 CarbonylContact C-O 3.56Å; V9-G14 WeakPolarHBondContact CA-O 3.32Å; S10-G14 PolarHBondContact N-O 2.83Å; S10-G14 WeakPolarHBondContact OG-CA 3.29Å; S10-G14 PolarHBondContact OG-N 2.82Å; N12-G14 PolarHBondContact O-N 3.31Å |
| 15 | I | 95.2 | Very high | 93.5 | Very high | 18 Ų | 18 | 41.5 Ų | 41.5 | 9% | 0.092 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | -10.7 | -177.5 | 60.8 | 168.2 | 0 | 0 | 0 | 114 | V7 V9 Y127 T153 F155 | V7-I15 HydrophobicContact CG2-CG2 3.72Å; V9-I15 HydrophobicContact CG1-CG2 3.89Å; I15-Y127 HydrophobicContact CD1-CD2 3.95Å; I15-Y127 HydrophobicContact CD1-CE2 3.83Å; I15-T153 HydrophobicContact CD1-CG2 3.82Å; I15-T153 HydrophobicContact CG1-CG2 3.75Å; I15-T153 WeakPolarHBondContact CG1-O 3.33Å; I15-T153 PolarHBondContact N-O 3Å; I15-F155 HydrophobicContact CG2-CB 3.73Å; I15-F155 HydrophobicContact CG2-CD2 4.14Å; I15-F155 HydrophobicContact CG2-CG 4.38Å |
| 16 | G | 92.8 | Very high | 93.4 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 7% | 0.072 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.9 | 153.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G20 C151 D152 T153 | G16-G20 VanDerWaalsContact CA-O 3.27Å; G16-G20 WeakPolarHBondContact CA-O 3.47Å; G16-C151 WeakPolarHBondContact O-CA 3.48Å; G16-C151 WeakPolarHBondContact O-CB 3.39Å; G16-D152 PolarHBondContact O-N 3Å; G16-D152 VanDerWaalsContact O-OD1 3.13Å; G16-T153 PolarHBondContact N-O 2.81Å; G16-T153 PolarHBondContact O-N 2.85Å |
| 17 | K | 94.2 | Very high | 93.3 | Very high | 97 Ų | 97 | 51.6 Ų | 51.6 | 42% | 0.422 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -141.4 | 130.3 | 169.6 | -168.6 | -175.2 | -163.3 | 166.5 | 0 | 109.2 | G19 G20 P22 D150 | K17-G19 PolarHBondContact O-N 2.99Å; K17-G19 VanDerWaalsContact O-N 3.15Å; K17-G20 PolarHBondContact N-O 2.98Å; K17-G20 PolarHBondContact O-N 2.76Å; K17-P22 HydrophobicContact CB-CB 3.87Å; K17-P22 HydrophobicContact CB-CG 4.32Å; K17-D150 WeakPolarHBondContact CD-O 3.1Å; K17-D150 WeakPolarHBondContact CE-OD2 3.27Å; K17-D150 IonicContact NZ-OD2 2.79Å; K17-D150 PolarHBondContact NZ-OD2 3.34Å |
| 18 | G | 91.5 | Very high | 93.3 | Very high | 73 Ų | 73 | 51.8 Ų | 51.8 | 75% | 0.753 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 29.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G20 D152 | G18-G20 VanDerWaalsContact C-N 3.3Å; G18-G20 PolarHBondContact O-N 3.25Å; G18-D152 PolarHBondContact N-OD2 3.41Å |
| 19 | G | 87.3 | Confident | 93.3 | Very high | 33 Ų | 33 | 55.4 Ų | 55.4 | 34% | 0.34 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | -7.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | K17 S66 | K17-G19 PolarHBondContact O-N 2.99Å; K17-G19 VanDerWaalsContact O-N 3.15Å; G19-S66 WeakPolarHBondContact O-CB 3.39Å; G19-S66 PolarHBondContact O-OG 3.05Å |
| 20 | G | 90.3 | Very high | 93.3 | Very high | 25 Ų | 25 | 59.1 Ų | 59.1 | 26% | 0.258 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -112.4 | 179.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G16 K17 G18 | G16-G20 VanDerWaalsContact CA-O 3.27Å; G16-G20 WeakPolarHBondContact CA-O 3.47Å; K17-G20 PolarHBondContact N-O 2.98Å; K17-G20 PolarHBondContact O-N 2.76Å; G18-G20 VanDerWaalsContact C-N 3.3Å; G18-G20 PolarHBondContact O-N 3.25Å |
| 21 | L | 91.3 | Very high | 93.3 | Very high | 89 Ų | 89 | 59.5 Ų | 59.5 | 47% | 0.466 | 31% | 0.313 | S | S | . | . | trans | -74.7 | 133.4 | 167.7 | -65.9 | 174.1 | 0 | 0 | 0 | 109.3 | W23 M29 | L21-W23 HydrophobicContact CD2-CZ2 4.16Å; L21-W23 PolarHBondContact O-N 3.46Å; L21-M29 HydrophobicContact CD1-CE 4.05Å | ||
| 22 | P | 91 | Very high | 93.6 | Very high | 36 Ų | 36 | 56.3 Ų | 56.3 | 23% | 0.234 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -82.1 | 5.8 | -179.9 | 25.2 | -19.1 | 0 | 0 | 0 | 113.5 | K17 V149 | K17-P22 HydrophobicContact CB-CB 3.87Å; K17-P22 HydrophobicContact CB-CG 4.32Å; P22-V149 HydrophobicContact CB-CG1 3.63Å; P22-V149 HydrophobicContact CG-CG1 3.8Å |
| 23 | W | 92.5 | Very high | 94 | Very high | 15 Ų | 15 | 58.2 Ų | 58.2 | 6% | 0.057 | 30% | 0.302 | C | S | . | . | trans | -133.2 | 159.8 | 177.9 | 47 | 79.7 | 0 | 0 | 0 | 110.8 | A8 L21 I25 I145 V149 F181 | A8-W23 HydrophobicContact CB-CZ2 3.63Å; L21-W23 HydrophobicContact CD2-CZ2 4.16Å; L21-W23 PolarHBondContact O-N 3.46Å; W23-I25 HydrophobicContact CB-CD1 4.12Å; W23-I25 HydrophobicContact CB-CG1 4.18Å; W23-I25 HydrophobicContact CG-CD1 4.01Å; W23-I25 HydrophobicContact CG-CG1 4.37Å; W23-I145 HydrophobicContact CD2-CD1 3.09Å; W23-I145 HydrophobicContact CE3-CD1 3.48Å; W23-I145 VanDerWaalsContact CE3-CD1 3.48Å; W23-I145 HydrophobicContact CG-CD1 3.55Å; W23-I145 HydrophobicContact CH2-CD1 3.81Å; W23-I145 HydrophobicContact CZ2-CD1 3.45Å; W23-I145 VanDerWaalsContact CZ2-CD1 3.45Å; W23-I145 HydrophobicContact CZ3-CD1 3.8Å; W23-V149 HydrophobicContact CE3-CB 4.3Å; W23-V149 HydrophobicContact CE3-CG1 4.08Å; W23-V149 HydrophobicContact CE3-CG2 4.1Å; W23-V149 HydrophobicContact CZ3-CB 4.22Å; W23-V149 HydrophobicContact CZ3-CG1 4.28Å; W23-V149 HydrophobicContact CZ3-CG2 4.31Å; W23-F181 HydrophobicContact CB-CD1 4.12Å; W23-F181 HydrophobicContact CB-CD2 3.99Å; W23-F181 HydrophobicContact CB-CE1 3.77Å; W23-F181 HydrophobicContact CB-CE2 3.63Å; W23-F181 HydrophobicContact CB-CG 4.22Å; W23-F181 HydrophobicContact CB-CZ 3.51Å | ||
| 24 | K | 91.9 | Very high | 94 | Very high | 170 Ų | 170 | 58 Ų | 58 | 74% | 0.739 | 31% | 0.31 | S | S | * | . | trans | -126.7 | 99.6 | 174.1 | -173.2 | 178.5 | -179.6 | -179.3 | 0 | 109.2 | N179 | K24-N179 PolarHBondContact O-ND2 3.47Š| ||
| 25 | I | 95.8 | Very high | 94.1 | Very high | 6 Ų | 6 | 58.7 Ų | 58.7 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | trans | -126.1 | 105.1 | -174.1 | -55 | 172.9 | 0 | 0 | 0 | 107.9 | W23 K27 D28 M29 I145 E178 F181 F183 | W23-I25 HydrophobicContact CB-CD1 4.12Å; W23-I25 HydrophobicContact CB-CG1 4.18Å; W23-I25 HydrophobicContact CG-CD1 4.01Å; W23-I25 HydrophobicContact CG-CG1 4.37Å; I25-K27 VanDerWaalsContact C-N 3.31Å; I25-K27 HydrophobicContact CG2-CB 4.33Å; I25-K27 PolarHBondContact O-N 3.34Å; I25-D28 HydrophobicContact CB-CB 3.83Å; I25-D28 HydrophobicContact CG2-CB 3.72Å; I25-D28 PolarHBondContact O-N 3.42Å; I25-M29 PolarHBondContact O-N 3.46Å; I25-I145 HydrophobicContact CD1-CD1 3.81Å; I25-I145 HydrophobicContact CD1-CG1 4.17Å; I25-E178 HydrophobicContact CG2-CB 4.31Å; I25-F181 HydrophobicContact CD1-CB 3.79Å; I25-F181 HydrophobicContact CD1-CD2 4.37Å; I25-F181 HydrophobicContact CD1-CG 4.07Å; I25-F181 HydrophobicContact CG1-CB 4.22Å; I25-F181 HydrophobicContact CG1-CD2 4.14Å; I25-F181 HydrophobicContact CG1-CG 4.34Å; I25-F183 HydrophobicContact CD1-CD1 3.98Å; I25-F183 HydrophobicContact CD1-CE1 4.39Å; I25-F183 HydrophobicContact CD1-CG 4.39Å; I25-F183 HydrophobicContact CG2-CD1 3.95Å; I25-F183 HydrophobicContact CG2-CD2 4.38Å; I25-F183 HydrophobicContact CG2-CE1 3.36Å; I25-F183 HydrophobicContact CG2-CE2 3.84Å; I25-F183 HydrophobicContact CG2-CG 4.44Å; I25-F183 HydrophobicContact CG2-CZ 3.31Å | ||
| 26 | K | 96.7 | Very high | 94.2 | Very high | 142 Ų | 142 | 57.8 Ų | 57.8 | 62% | 0.617 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.9 | -40.4 | 179.4 | -175.7 | -174.1 | 173.4 | -167.9 | 0 | 111.1 | D28 M29 E30 E178 | K26-D28 VanDerWaalsContact C-N 3.28Å; K26-D28 PolarHBondContact O-N 3.26Å; K26-M29 WeakPolarHBondContact O-CB 3.48Å; K26-M29 PolarHBondContact O-N 2.92Å; K26-M29 VanDerWaalsContact O-N 3.11Å; K26-E30 WeakPolarHBondContact CE-OE1 3.36Å; K26-E30 IonicContact NZ-OE1 3.85Å; K26-E30 WeakPolarHBondContact O-CG 3.3Å; K26-E30 PolarHBondContact O-N 3.32Å; K26-E178 WeakPolarHBondContact CB-OE1 3.37Å; K26-E178 PolarHBondContact N-OE1 3.17Å; K26-E178 PolarHBondContact N-OE2 3.47Å |
| 27 | K | 97.1 | Very high | 94.3 | Very high | 77 Ų | 77 | 59.1 Ų | 59.1 | 34% | 0.335 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62 | -36.9 | 178.9 | -162.8 | 71.3 | -177.5 | 169.5 | 0 | 112.5 | I25 E30 F31 E178 F183 F185 | I25-K27 VanDerWaalsContact C-N 3.31Å; I25-K27 HydrophobicContact CG2-CB 4.33Å; I25-K27 PolarHBondContact O-N 3.34Å; K27-E30 IonicContact NZ-OE2 3.96Å; K27-E30 PolarHBondContact NZ-OE2 3.27Å; K27-E30 WeakPolarHBondContact O-CB 3.5Å; K27-E30 PolarHBondContact O-N 3.07Å; K27-F31 PolarHBondContact O-N 2.93Å; K27-E178 PolarHBondContact N-OE2 2.86Å; K27-F183 HydrophobicContact CB-CE2 3.85Å; K27-F183 HydrophobicContact CB-CZ 3.65Å; K27-F183 HydrophobicContact CG-CE2 4.04Å; K27-F183 HydrophobicContact CG-CZ 4.16Å; K27-F185 HydrophobicContact CG-CE2 4.12Å; K27-F185 HydrophobicContact CG-CZ 4.1Å |
| 28 | D | 97 | Very high | 94.2 | Very high | 10 Ų | 10 | 60.9 Ų | 60.9 | 5% | 0.053 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.5 | -40.6 | 174 | -178.9 | 52.8 | 0 | 0 | 0 | 111.3 | I25 K26 E30 F31 F32 T143 F185 | I25-D28 HydrophobicContact CB-CB 3.83Å; I25-D28 HydrophobicContact CG2-CB 3.72Å; I25-D28 PolarHBondContact O-N 3.42Å; K26-D28 VanDerWaalsContact C-N 3.28Å; K26-D28 PolarHBondContact O-N 3.26Å; D28-E30 VanDerWaalsContact C-N 3.34Å; D28-E30 PolarHBondContact O-N 3.2Å; D28-F31 PolarHBondContact O-N 3.04Å; D28-F32 WeakPolarHBondContact O-CB 3.37Å; D28-F32 PolarHBondContact O-N 3.15Å; D28-T143 HydrophobicContact CB-CG2 4.39Å; D28-T143 VanDerWaalsContact OD1-CB 3.23Å; D28-T143 WeakPolarHBondContact OD1-CB 3.38Å; D28-T143 WeakPolarHBondContact OD1-CG2 3.3Å; D28-T143 PolarHBondContact OD1-OG1 3.14Å; D28-F185 HydrophobicContact CB-CE1 4.46Å |
| 29 | M | 96.2 | Very high | 94.1 | Very high | 86 Ų | 86 | 58.8 Ų | 58.8 | 42% | 0.424 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.5 | -34.5 | 173.9 | -63.2 | -61.7 | 97.2 | 0 | 0 | 112.9 | L21 I25 K26 K33 | L21-M29 HydrophobicContact CD1-CE 4.05Å; I25-M29 PolarHBondContact O-N 3.46Å; K26-M29 WeakPolarHBondContact O-CB 3.48Å; K26-M29 PolarHBondContact O-N 2.92Å; K26-M29 VanDerWaalsContact O-N 3.11Å; M29-K33 VanDerWaalsContact O-CB 3.27Å; M29-K33 WeakPolarHBondContact O-CB 3.45Å; M29-K33 PolarHBondContact O-N 3.11Å |
| 30 | E | 95.7 | Very high | 93.8 | Very high | 77 Ų | 77 | 62.5 Ų | 62.5 | 36% | 0.36 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 172.7 | -71.5 | 172.2 | -171.4 | 0 | 0 | 111.7 | K26 K27 D28 K33 T34 | K26-E30 WeakPolarHBondContact CE-OE1 3.36Å; K26-E30 IonicContact NZ-OE1 3.85Å; K26-E30 WeakPolarHBondContact O-CG 3.3Å; K26-E30 PolarHBondContact O-N 3.32Å; K27-E30 IonicContact NZ-OE2 3.96Å; K27-E30 PolarHBondContact NZ-OE2 3.27Å; K27-E30 WeakPolarHBondContact O-CB 3.5Å; K27-E30 PolarHBondContact O-N 3.07Å; D28-E30 VanDerWaalsContact C-N 3.34Å; D28-E30 PolarHBondContact O-N 3.2Å; E30-K33 PolarHBondContact O-N 2.74Å; E30-T34 WeakPolarHBondContact O-CB 3.23Å; E30-T34 PolarHBondContact O-N 2.8Å; E30-T34 PolarHBondContact O-OG1 3.43Å |
| 31 | F | 96.5 | Very high | 92.6 | Very high | 12 Ų | 12 | 67.1 Ų | 67.1 | 5% | 0.053 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.4 | -52.3 | 173.6 | 169.2 | -102.7 | 0 | 0 | 0 | 111.1 | K27 D28 K33 T34 V35 Y141 I171 F185 | K27-F31 PolarHBondContact O-N 2.93Å; D28-F31 PolarHBondContact O-N 3.04Å; F31-K33 VanDerWaalsContact C-N 3.33Å; F31-K33 PolarHBondContact O-N 2.96Å; F31-T34 PolarHBondContact O-N 2.84Å; F31-T34 VanDerWaalsContact O-N 3.16Å; F31-V35 HydrophobicContact CD2-CG2 3.92Å; F31-V35 HydrophobicContact CE1-CG2 4.32Å; F31-V35 HydrophobicContact CE2-CG2 3.6Å; F31-V35 HydrophobicContact CG-CG2 4.42Å; F31-V35 HydrophobicContact CZ-CG2 3.83Å; F31-V35 WeakPolarHBondContact O-CG2 3.35Å; F31-V35 PolarHBondContact O-N 2.91Å; F31-Y141 HydrophobicContact CZ-CD1 4.08Å; F31-I171 HydrophobicContact CD2-CD1 4.11Å; F31-I171 HydrophobicContact CE2-CD1 3.65Å; F31-I171 HydrophobicContact CE2-CG1 4.34Å; F31-I171 HydrophobicContact CE2-CG2 3.97Å; F31-F185 HydrophobicContact CB-CD1 3.94Å; F31-F185 HydrophobicContact CB-CE1 3.46Å; F31-F185 VanDerWaalsContact CB-CE1 3.46Å; F31-F185 HydrophobicContact CB-CE2 4.19Å; F31-F185 HydrophobicContact CB-CG 4.49Å; F31-F185 HydrophobicContact CB-CZ 3.6Å; F31-F185 AromaticContact CD1-CD1 3.49Å; F31-F185 HydrophobicContact CD1-CD1 3.49Å; F31-F185 VanDerWaalsContact CD1-CD1 3.49Å; F31-F185 AromaticContact CD1-CE1 3.64Å; F31-F185 HydrophobicContact CD1-CE1 3.64Å; F31-F185 HydrophobicContact CD1-CG 4.37Å; F31-F185 HydrophobicContact CD2-CB 4.23Å; F31-F185 AromaticContact CD2-CD1 3.77Å; F31-F185 HydrophobicContact CD2-CD1 3.77Å; F31-F185 HydrophobicContact CD2-CD2 4.31Å; F31-F185 HydrophobicContact CD2-CE1 4.21Å; F31-F185 AromaticContact CD2-CG 3.82Å; F31-F185 HydrophobicContact CD2-CG 3.82Å; F31-F185 AromaticContact CE1-CD1 3.84Å; F31-F185 HydrophobicContact CE1-CD1 3.84Å; F31-F185 HydrophobicContact CE1-CE1 4.41Å; F31-F185 HydrophobicContact CE2-CB 3.96Å; F31-F185 HydrophobicContact CE2-CD1 4.07Å; F31-F185 HydrophobicContact CE2-CG 4.05Å; F31-F185 AromaticContact CG-CD1 3.45Å; F31-F185 HydrophobicContact CG-CD1 3.45Å; F31-F185 VanDerWaalsContact CG-CD1 3.45Å; F31-F185 AromaticContact CG-CE1 3.51Å; F31-F185 HydrophobicContact CG-CE1 3.51Å; F31-F185 AromaticContact CG-CG 3.98Å; F31-F185 HydrophobicContact CG-CG 3.98Å; F31-F185 HydrophobicContact CG-CZ 4.08Å; F31-F185 HydrophobicContact CZ-CB 4.25Å; F31-F185 HydrophobicContact CZ-CD1 4.11Å; F31-F185 HydrophobicContact CZ-CG 4.42Å |
| 32 | F | 97.1 | Very high | 90.8 | Very high | 37 Ų | 37 | 63.9 Ų | 63.9 | 16% | 0.162 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -54 | -48.1 | 176.7 | 175 | -92.8 | 0 | 0 | 0 | 111.8 | V6 D28 T36 L74 I121 | V6-F32 HydrophobicContact CB-CD2 4.44Å; V6-F32 HydrophobicContact CG1-CD2 3.75Å; V6-F32 HydrophobicContact CG1-CE2 4.3Å; D28-F32 WeakPolarHBondContact O-CB 3.37Å; D28-F32 PolarHBondContact O-N 3.15Å; F32-T36 HydrophobicContact CD2-CG2 4.2Å; F32-T36 HydrophobicContact CE2-CG2 3.92Å; F32-T36 HydrophobicContact CZ-CG2 4.09Å; F32-T36 WeakPolarHBondContact O-CB 3.32Å; F32-T36 WeakPolarHBondContact O-CG2 3.25Å; F32-T36 PolarHBondContact O-N 3.1Å; F32-T36 PolarHBondContact O-OG1 2.85Å; F32-L74 HydrophobicContact CE1-CD1 3.98Å; F32-L74 HydrophobicContact CZ-CD1 4.02Å; F32-I121 HydrophobicContact CE2-CB 3.96Å; F32-I121 HydrophobicContact CE2-CD1 4.37Å; F32-I121 HydrophobicContact CE2-CG2 3.67Å; F32-I121 HydrophobicContact CZ-CB 4.29Å; F32-I121 HydrophobicContact CZ-CD1 3.86Å; F32-I121 HydrophobicContact CZ-CG2 3.99Å |
| 33 | K | 96.2 | Very high | 88.5 | Confident | 129 Ų | 129 | 70.1 Ų | 70.1 | 56% | 0.561 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.7 | -48.5 | 178.1 | -177.3 | -177.9 | 177.2 | -173.9 | 0 | 110.9 | M29 E30 F31 T37 | M29-K33 VanDerWaalsContact O-CB 3.27Å; M29-K33 WeakPolarHBondContact O-CB 3.45Å; M29-K33 PolarHBondContact O-N 3.11Å; E30-K33 PolarHBondContact O-N 2.74Å; F31-K33 VanDerWaalsContact C-N 3.33Å; F31-K33 PolarHBondContact O-N 2.96Å; K33-T37 WeakPolarHBondContact O-CB 3.49Å; K33-T37 PolarHBondContact O-N 2.75Å; K33-T37 PolarHBondContact O-OG1 2.88Å |
| 34 | T | 94.4 | Very high | 85.9 | Confident | 78 Ų | 78 | 76 Ų | 76 | 48% | 0.479 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -60.3 | -53.7 | -178.8 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | E30 F31 T36 T37 K38 | E30-T34 WeakPolarHBondContact O-CB 3.23Å; E30-T34 PolarHBondContact O-N 2.8Å; E30-T34 PolarHBondContact O-OG1 3.43Å; F31-T34 PolarHBondContact O-N 2.84Å; F31-T34 VanDerWaalsContact O-N 3.16Å; T34-T36 PolarHBondContact O-N 2.88Å; T34-T37 PolarHBondContact O-N 2.87Å; T34-K38 VanDerWaalsContact O-CB 3.3Å; T34-K38 WeakPolarHBondContact O-CB 3.23Å; T34-K38 PolarHBondContact O-N 2.91Å |
| 35 | V | 95.4 | Very high | 83.5 | Confident | 15 Ų | 15 | 76.5 Ų | 76.5 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.2 | -45.9 | -178.5 | 169.3 | 0 | 0 | 0 | 0 | 111.4 | V6 F31 F119 Y141 I171 | V6-V35 HydrophobicContact CG2-CG1 4.23Å; F31-V35 HydrophobicContact CD2-CG2 3.92Å; F31-V35 HydrophobicContact CE1-CG2 4.32Å; F31-V35 HydrophobicContact CE2-CG2 3.6Å; F31-V35 HydrophobicContact CG-CG2 4.42Å; F31-V35 HydrophobicContact CZ-CG2 3.83Å; F31-V35 WeakPolarHBondContact O-CG2 3.35Å; F31-V35 PolarHBondContact O-N 2.91Å; V35-F119 HydrophobicContact CG1-CD1 4.19Å; V35-F119 HydrophobicContact CG1-CE1 3.52Å; V35-F119 HydrophobicContact CG1-CZ 4.21Å; V35-F119 VanDerWaalsContact O-CZ 3.24Å; V35-F119 WeakPolarHBondContact O-CZ 3.36Å; V35-Y141 HydrophobicContact CG1-CD1 3.72Å; V35-Y141 HydrophobicContact CG1-CD2 3.93Å; V35-Y141 HydrophobicContact CG1-CE1 3.92Å; V35-Y141 HydrophobicContact CG1-CE2 4.09Å; V35-Y141 HydrophobicContact CG1-CG 3.74Å; V35-Y141 HydrophobicContact CG2-CD1 3.9Å; V35-Y141 HydrophobicContact CG2-CE1 4.2Å; V35-I171 HydrophobicContact CG2-CD1 4.22Å |
| 36 | T | 97.1 | Very high | 80.6 | Confident | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -82.8 | -17.7 | -174.7 | 60.5 | 0 | 0 | 0 | 0 | 113.8 | V6 F32 T34 N55 V57 R77 F119 I121 | V6-T36 HydrophobicContact CG2-CG2 4.06Å; F32-T36 HydrophobicContact CD2-CG2 4.2Å; F32-T36 HydrophobicContact CE2-CG2 3.92Å; F32-T36 HydrophobicContact CZ-CG2 4.09Å; F32-T36 WeakPolarHBondContact O-CB 3.32Å; F32-T36 WeakPolarHBondContact O-CG2 3.25Å; F32-T36 PolarHBondContact O-N 3.1Å; F32-T36 PolarHBondContact O-OG1 2.85Å; T34-T36 PolarHBondContact O-N 2.88Å; T36-N55 WeakPolarHBondContact O-CB 3.29Å; T36-N55 PolarHBondContact O-ND2 3.44Å; T36-N55 VanDerWaalsContact O-ND2 3.09Å; T36-V57 HydrophobicContact CG2-CG1 4.17Å; T36-R77 WeakPolarHBondContact O-CD 3.42Å; T36-R77 WeakPolarHBondContact O-CG 3.34Å; T36-R77 PolarHBondContact OG1-NH1 2.89Å; T36-F119 HydrophobicContact CG2-CB 4.21Å; T36-F119 HydrophobicContact CG2-CD1 4.15Å; T36-F119 HydrophobicContact CG2-CG 4.04Å; T36-I121 HydrophobicContact CG2-CG2 4.39Å |
| 37 | T | 95.9 | Very high | 77.6 | Confident | 35 Ų | 35 | 82.8 Ų | 82.8 | 22% | 0.215 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -99.7 | -29.8 | -177 | -47.8 | 0 | 0 | 0 | 0 | 112.9 | K33 T34 A39 D76 R77 | K33-T37 WeakPolarHBondContact O-CB 3.49Å; K33-T37 PolarHBondContact O-N 2.75Å; K33-T37 PolarHBondContact O-OG1 2.88Å; T34-T37 PolarHBondContact O-N 2.87Å; T37-A39 PolarHBondContact O-N 2.92Å; T37-D76 HydrophobicContact CG2-CB 3.84Å; T37-R77 PolarHBondContact OG1-NE 3.38Å |
| 38 | K | 91.8 | Very high | 74.9 | Confident | 134 Ų | 134 | 87.6 Ų | 87.6 | 58% | 0.583 | 45% | 0.452 | S | S | * | . | trans | -67.5 | 102.9 | -177.9 | -172.1 | -178 | -176.1 | -171.4 | 0 | 110.1 | T34 N55 D170 | T34-K38 VanDerWaalsContact O-CB 3.3Å; T34-K38 WeakPolarHBondContact O-CB 3.23Å; T34-K38 PolarHBondContact O-N 2.91Å; K38-N55 PolarHBondContact O-ND2 2.81Å; K38-D170 IonicContact NZ-OD2 2.74Å; K38-D170 PolarHBondContact NZ-OD2 2.79Å | ||
| 39 | A | 89.1 | Confident | 72.2 | Confident | 29 Ų | 29 | 95.3 Ų | 95.3 | 24% | 0.24 | 49% | 0.492 | C | S | . | . | trans | -109.1 | 156.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | T37 L53 D116 | T37-A39 PolarHBondContact O-N 2.92Å; A39-L53 HydrophobicContact CB-CB 4.48Å; A39-L53 WeakPolarHBondContact CB-O 3.22Å; A39-D116 WeakPolarHBondContact CA-OD2 3.38Å; A39-D116 HydrophobicContact CB-CB 4.13Å | ||
| 40 | H | 80.7 | Confident | 70 | Confident | 111 Ų | 111 | 94.7 Ų | 94.7 | 51% | 0.514 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 136.8 | 174.8 | -66.9 | 90.2 | 0 | 0 | 0 | 110.1 | G42 L53 D116 | H40-G42 PolarHBondContact O-N 2.79Å; H40-G42 VanDerWaalsContact O-N 3.16Å; H40-L53 HydrophobicContact CB-CD1 4.4Å; H40-D116 IonicContact CE1-OD1 3.1Å; H40-D116 IonicContact CE1-OD2 2.74Å; H40-D116 IonicContact CG-OD1 2.77Å; H40-D116 IonicContact CG-OD2 3.86Å; H40-D116 PolarHBondContact N-OD2 2.9Å; H40-D116 VanDerWaalsContact ND1-CG 3.28Å; H40-D116 IonicContact ND1-OD1 3.82Å; H40-D116 PolarHBondContact ND1-OD1 3Å; H40-D116 IonicContact ND1-OD2 2.6Å; H40-D116 PolarHBondContact ND1-OD2 3.22Å |
| 41 | P | 65.6 | Low | 68 | Low | 121 Ų | 121 | 96.2 Ų | 96.2 | 79% | 0.786 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 126.6 | 171 | 24 | -32.1 | 0 | 0 | 0 | 108.1 | K43 | P41-K43 PolarHBondContact O-N 3.14Š|
| 42 | G | 53.1 | Low | 67.1 | Low | 22 Ų | 22 | 96.6 Ų | 96.6 | 23% | 0.227 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 141.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112 | H40 V44 | H40-G42 PolarHBondContact O-N 2.79Å; H40-G42 VanDerWaalsContact O-N 3.16Å; G42-V44 PolarHBondContact O-N 2.59Å |
| 43 | K | 42.2 | Very low | 66.8 | Low | 166 Ų | 166 | 96.9 Ų | 96.9 | 72% | 0.722 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 126.1 | 170.7 | -68.3 | -177.4 | -179.5 | 176.8 | 0 | 108.3 | P41 F45 | P41-K43 PolarHBondContact O-N 3.14Å; K43-F45 VanDerWaalsContact C-N 3.33Å; K43-F45 HydrophobicContact CB-CD2 4.28Å; K43-F45 PolarHBondContact O-N 3.44Å |
| 44 | V | 38.8 | Very low | 66.7 | Low | 138 Ų | 138 | 94.3 Ų | 94.3 | 84% | 0.836 | 51% | 0.506 | S | S | * | . | trans | -70 | 93.1 | 170.8 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | G42 | G42-V44 PolarHBondContact O-N 2.59Š| ||
| 45 | F | 40.5 | Very low | 66.8 | Low | 181 Ų | 181 | 90.6 Ų | 90.6 | 79% | 0.794 | 48% | 0.484 | S | S | * | . | trans | -117.1 | 98 | 168.4 | -103.6 | -96.4 | 0 | 0 | 0 | 107.7 | K43 | K43-F45 VanDerWaalsContact C-N 3.33Å; K43-F45 HydrophobicContact CB-CD2 4.28Å; K43-F45 PolarHBondContact O-N 3.44Å | ||
| 46 | S | 35.1 | Very low | 67 | Low | 93 Ų | 93 | 89.9 Ų | 89.9 | 65% | 0.65 | 48% | 0.479 | S | S | * | . | S | Bend | trans | 80.5 | 156.1 | 179.8 | 91.9 | 0 | 0 | 0 | 0 | 117.3 | K48 | S46-K48 PolarHBondContact O-N 2.74Š|
| 47 | L | 35.1 | Very low | 67 | Low | 188 Ų | 188 | 89.9 Ų | 89.9 | 98% | 0.984 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -61.9 | 26.5 | -169.7 | -72.3 | 155.9 | 0 | 0 | 0 | 116.4 | ||
| 48 | K | 40.2 | Very low | 67.2 | Low | 177 Ų | 177 | 88.2 Ų | 88.2 | 77% | 0.77 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -110.9 | 128.8 | 169.6 | -72.5 | -176.3 | 177.7 | 179.3 | 0 | 108.5 | S46 N50 | S46-K48 PolarHBondContact O-N 2.74Å; K48-N50 VanDerWaalsContact C-N 3.27Å; K48-N50 PolarHBondContact O-N 3.1Å |
| 49 | I | 40.3 | Very low | 67.5 | Low | 172 Ų | 172 | 81.9 Ų | 81.9 | 88% | 0.882 | 44% | 0.441 | S | S | * | . | trans | -58.8 | 96.4 | 170.8 | -60 | -179.4 | 0 | 0 | 0 | 106.6 | P51 | I49-P51 WeakPolarHBondContact O-CD 3.06Š| ||
| 50 | N | 48.3 | Very low | 67.9 | Low | 73 Ų | 73 | 81.1 Ų | 81.1 | 39% | 0.39 | 44% | 0.437 | S | S | . | . | trans | -73.1 | 122.4 | 177.3 | -158.8 | -6.2 | 0 | 0 | 0 | 106.1 | K48 G52 | K48-N50 VanDerWaalsContact C-N 3.27Å; K48-N50 PolarHBondContact O-N 3.1Å; N50-G52 PolarHBondContact O-N 3.13Å | ||
| 51 | P | 55.7 | Low | 68.7 | Low | 109 Ų | 109 | 80.3 Ų | 80.3 | 71% | 0.708 | 43% | 0.429 | S | S | * | . | trans | -65.5 | 22.7 | -174 | 23.6 | -33.2 | 0 | 0 | 0 | 115.5 | I49 | I49-P51 WeakPolarHBondContact O-CD 3.06Š| ||
| 52 | G | 77.2 | Confident | 70.1 | Confident | 21 Ų | 21 | 78 Ų | 78 | 22% | 0.216 | 41% | 0.412 | C | S | . | . | trans | 78.3 | 154.2 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | N50 | N50-G52 PolarHBondContact O-N 3.13Š| ||
| 53 | L | 90.8 | Very high | 72.2 | Confident | 43 Ų | 43 | 78.2 Ų | 78.2 | 23% | 0.225 | 41% | 0.41 | C | S | . | . | trans | -67.6 | 155.6 | 167.3 | -57.3 | 173.3 | 0 | 0 | 0 | 109.1 | A39 H40 I114 D116 | A39-L53 HydrophobicContact CB-CB 4.48Å; A39-L53 WeakPolarHBondContact CB-O 3.22Å; H40-L53 HydrophobicContact CB-CD1 4.4Å; L53-I114 CarbonylContact C-O 3.11Å; L53-I114 WeakPolarHBondContact CA-O 3.36Å; L53-D116 HydrophobicContact CB-CB 3.81Å; L53-D116 HydrophobicContact CD1-CB 4.17Å | ||
| 54 | K | 94 | Very high | 74.8 | Confident | 74 Ų | 74 | 71 Ų | 71 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 142.1 | 176.8 | -67.4 | -171 | 176.3 | -177.1 | 0 | 109.9 | I78 I114 V115 D116 | K54-I78 HydrophobicContact CB-CD1 4.33Å; K54-I78 HydrophobicContact CB-CG1 4.27Å; K54-I114 PolarHBondContact N-O 3.29Å; K54-V115 CarbonylContact O-C 3.57Å; K54-V115 VanDerWaalsContact O-CA 3.27Å; K54-V115 WeakPolarHBondContact O-CA 3.47Å; K54-D116 PolarHBondContact O-N 3.09Å |
| 55 | N | 96.6 | Very high | 77.5 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 151.5 | 167.6 | -66.6 | -26.4 | 0 | 0 | 0 | 110.5 | T36 K38 R77 I78 E117 F119 | T36-N55 WeakPolarHBondContact O-CB 3.29Å; T36-N55 PolarHBondContact O-ND2 3.44Å; T36-N55 VanDerWaalsContact O-ND2 3.09Å; K38-N55 PolarHBondContact O-ND2 2.81Å; N55-R77 CarbonylContact O-C 3.54Å; N55-R77 VanDerWaalsContact O-CA 3.32Å; N55-R77 WeakPolarHBondContact O-CA 3.35Å; N55-I78 PolarHBondContact O-N 2.98Å; N55-E117 CarbonylContact C-O 3.39Å; N55-E117 VanDerWaalsContact CA-O 3.28Å; N55-E117 WeakPolarHBondContact CA-O 3.39Å; N55-E117 PolarHBondContact OD1-N 3.47Å; N55-E117 VanDerWaalsContact OD1-N 3.11Å; N55-F119 HydrophobicContact CB-CD2 3.93Å; N55-F119 HydrophobicContact CB-CE2 3.76Å |
| 56 | A | 98 | Very high | 80.1 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 137.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | I78 L106 V115 E117 F119 | A56-I78 CarbonylContact C-O 3.52Å; A56-I78 WeakPolarHBondContact CA-O 2.72Å; A56-I78 HydrophobicContact CB-CB 4.12Å; A56-L106 HydrophobicContact CB-CD1 3.72Å; A56-L106 HydrophobicContact CB-CD2 3.61Å; A56-L106 HydrophobicContact CB-CG 4.33Å; A56-V115 HydrophobicContact CB-CG2 3.95Å; A56-E117 PolarHBondContact N-O 2.85Å; A56-F119 PolarHBondContact O-N 2.82Å |
| 57 | V | 98.7 | Very high | 82.9 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 116.4 | 171 | -69.2 | 0 | 0 | 0 | 0 | 109 | T36 M59 L74 R77 I78 N79 I80 F119 I121 | T36-V57 HydrophobicContact CG2-CG1 4.17Å; V57-M59 HydrophobicContact CB-CE 4.48Å; V57-M59 HydrophobicContact CG2-CE 3.96Å; V57-L74 HydrophobicContact CG2-CB 4.41Å; V57-L74 HydrophobicContact CG2-CD1 3.97Å; V57-R77 HydrophobicContact CG1-CB 4.41Å; V57-R77 HydrophobicContact CG1-CG 4.32Å; V57-R77 HydrophobicContact CG2-CB 4.05Å; V57-I78 PolarHBondContact N-O 2.81Å; V57-N79 HydrophobicContact CG2-CB 4.46Å; V57-I80 PolarHBondContact O-N 3Å; V57-F119 CarbonylContact C-O 3.57Å; V57-F119 WeakPolarHBondContact CA-O 3.23Å; V57-F119 HydrophobicContact CG1-CB 4.28Å; V57-I121 HydrophobicContact CB-CD1 4.18Å; V57-I121 HydrophobicContact CB-CG2 4.33Å; V57-I121 HydrophobicContact CG1-CG2 4.21Å |
| 58 | V | 98.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.3 | -178.2 | -171 | 0 | 0 | 0 | 0 | 108.7 | I80 V82 A102 V118 F119 I120 I121 L126 | V58-I80 WeakPolarHBondContact CA-O 3.34Å; V58-I80 HydrophobicContact CG1-CB 4.47Å; V58-I80 HydrophobicContact CG1-CG2 4.43Å; V58-I80 HydrophobicContact CG2-CB 4.31Å; V58-I80 HydrophobicContact CG2-CD1 4.38Å; V58-V82 HydrophobicContact CG1-CG2 3.7Å; V58-A102 HydrophobicContact CG1-CB 3.81Å; V58-V118 HydrophobicContact CG2-CG1 3.95Å; V58-F119 PolarHBondContact N-O 3.1Å; V58-I120 HydrophobicContact CB-CD1 3.76Å; V58-I120 HydrophobicContact CG1-CD1 4.29Å; V58-I120 HydrophobicContact CG2-CD1 4.05Å; V58-I121 PolarHBondContact O-N 2.79Å; V58-L126 HydrophobicContact CG1-CD1 4.09Å |
| 59 | M | 98.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 153.8 | -175.9 | 73.2 | -163.4 | 90.7 | 0 | 0 | 113.7 | V57 T63 W64 I67 L74 I80 V81 V82 I121 G122 | V57-M59 HydrophobicContact CB-CE 4.48Å; V57-M59 HydrophobicContact CG2-CE 3.96Å; M59-T63 HydrophobicContact CB-CG2 3.95Å; M59-W64 HydrophobicContact CE-CE3 4.17Å; M59-W64 HydrophobicContact CG-CB 4.05Å; M59-W64 HydrophobicContact SD-CB 3.98Å; M59-W64 HydrophobicContact SD-CE3 3.74Å; M59-I67 HydrophobicContact SD-CD1 3.68Å; M59-L74 HydrophobicContact CE-CD1 4.35Å; M59-I80 PolarHBondContact N-O 3.39Å; M59-V81 HydrophobicContact CG-CG2 4.23Å; M59-V81 CarbonylContact O-C 3.53Å; M59-V81 VanDerWaalsContact O-CA 3.3Å; M59-V81 WeakPolarHBondContact O-CA 3.37Å; M59-V82 PolarHBondContact O-N 2.65Å; M59-I121 HydrophobicContact CB-CD1 3.99Å; M59-I121 HydrophobicContact CB-CG1 3.6Å; M59-I121 HydrophobicContact CE-CD1 3.77Å; M59-I121 HydrophobicContact SD-CD1 3.95Å; M59-G122 CarbonylContact C-O 3.59Å; M59-G122 WeakPolarHBondContact CA-O 3.46Å |
| 60 | G | 97.9 | Very high | 91 | Very high | 14 Ų | 14 | 49 Ų | 49 | 14% | 0.144 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 163.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | V62 T63 W64 G122 | G60-V62 PolarHBondContact O-N 3.32Å; G60-T63 WeakPolarHBondContact O-CB 3.19Å; G60-T63 PolarHBondContact O-N 2.92Å; G60-T63 VanDerWaalsContact O-N 3.14Å; G60-W64 PolarHBondContact O-N 3.32Å; G60-G122 PolarHBondContact N-O 2.88Å |
| 61 | R | 97.1 | Very high | 93.2 | Very high | 94 Ų | 94 | 51.8 Ų | 51.8 | 36% | 0.355 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -49.6 | -49.5 | 179.2 | -166.5 | -163 | 77.1 | -155.2 | -0.1 | 114 | T63 W64 E65 V82 T85 L86 | R61-T63 VanDerWaalsContact C-N 3.32Å; R61-T63 PolarHBondContact O-N 2.73Å; R61-W64 WeakPolarHBondContact O-CB 3.33Å; R61-W64 PolarHBondContact O-N 2.56Å; R61-W64 VanDerWaalsContact O-N 3.17Å; R61-E65 VanDerWaalsContact CD-OE1 3.31Å; R61-E65 WeakPolarHBondContact CD-OE1 3.42Å; R61-E65 HydrophobicContact CG-CG 4.36Å; R61-E65 WeakPolarHBondContact CG-OE1 3.49Å; R61-E65 IonicContact CZ-OE2 3.04Å; R61-E65 IonicContact NE-OE1 3.53Å; R61-E65 PolarHBondContact NE-OE1 3.01Å; R61-E65 IonicContact NE-OE2 3.79Å; R61-E65 PolarHBondContact NE-OE2 3.28Å; R61-E65 IonicContact NH2-OE2 3.21Å; R61-E65 WeakPolarHBondContact O-CB 3.38Å; R61-E65 WeakPolarHBondContact O-CG 3.26Å; R61-E65 PolarHBondContact O-N 3.01Å; R61-V82 PolarHBondContact N-O 2.92Å; R61-T85 WeakPolarHBondContact CD-OG1 3.34Å; R61-T85 PolarHBondContact NH1-OG1 2.76Å; R61-L86 HydrophobicContact CG-CB 4.31Å |
| 62 | V | 95.8 | Very high | 95.1 | Very high | 71 Ų | 71 | 48 Ų | 48 | 43% | 0.43 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | -177.2 | 178 | 0 | 0 | 0 | 0 | 111.4 | G60 E65 S66 | G60-V62 PolarHBondContact O-N 3.32Å; V62-E65 PolarHBondContact O-N 3.46Å; V62-S66 WeakPolarHBondContact O-CB 3.4Å; V62-S66 PolarHBondContact O-N 2.91Å; V62-S66 PolarHBondContact O-OG 3.44Å |
| 63 | T | 96.6 | Very high | 96.1 | Very high | 28 Ų | 28 | 49.3 Ų | 49.3 | 17% | 0.172 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 174.1 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | M59 G60 R61 S66 I67 G123 | M59-T63 HydrophobicContact CB-CG2 3.95Å; G60-T63 WeakPolarHBondContact O-CB 3.19Å; G60-T63 PolarHBondContact O-N 2.92Å; G60-T63 VanDerWaalsContact O-N 3.14Å; R61-T63 VanDerWaalsContact C-N 3.32Å; R61-T63 PolarHBondContact O-N 2.73Å; T63-S66 PolarHBondContact O-N 2.96Å; T63-S66 PolarHBondContact O-OG 2.77Å; T63-S66 VanDerWaalsContact O-OG 3.08Å; T63-I67 WeakPolarHBondContact O-CG1 3.31Å; T63-I67 PolarHBondContact O-N 2.94Å; T63-G123 PolarHBondContact OG1-N 3.08Å; T63-G123 VanDerWaalsContact OG1-N 3.09Å |
| 64 | W | 97.1 | Very high | 96.4 | Very high | 15 Ų | 15 | 47.9 Ų | 47.9 | 6% | 0.057 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.4 | -45.8 | 173.1 | 170.3 | -100.9 | 0 | 0 | 0 | 111.6 | M59 G60 R61 S66 I67 K72 P73 V81 P90 V93 | M59-W64 HydrophobicContact CE-CE3 4.17Å; M59-W64 HydrophobicContact CG-CB 4.05Å; M59-W64 HydrophobicContact SD-CB 3.98Å; M59-W64 HydrophobicContact SD-CE3 3.74Å; G60-W64 PolarHBondContact O-N 3.32Å; R61-W64 WeakPolarHBondContact O-CB 3.33Å; R61-W64 PolarHBondContact O-N 2.56Å; R61-W64 VanDerWaalsContact O-N 3.17Å; W64-S66 VanDerWaalsContact C-N 3.3Å; W64-S66 PolarHBondContact O-N 2.86Å; W64-I67 PolarHBondContact O-N 2.82Å; W64-K72 HydrophobicContact CD2-CD 4.23Å; W64-K72 HydrophobicContact CE3-CD 4.46Å; W64-K72 HydrophobicContact CH2-CB 3.89Å; W64-K72 HydrophobicContact CH2-CD 4Å; W64-K72 HydrophobicContact CH2-CG 4.02Å; W64-K72 HydrophobicContact CZ2-CB 4.28Å; W64-K72 HydrophobicContact CZ2-CD 3.72Å; W64-K72 HydrophobicContact CZ2-CG 4.26Å; W64-K72 HydrophobicContact CZ3-CB 4.41Å; W64-K72 HydrophobicContact CZ3-CD 4.37Å; W64-K72 HydrophobicContact CZ3-CG 4.2Å; W64-K72 WeakPolarHBondContact O-CE 3.31Å; W64-K72 PolarHBondContact O-NZ 2.92Å; W64-P73 HydrophobicContact CH2-CB 4.22Å; W64-P73 HydrophobicContact CZ3-CB 4.48Å; W64-V81 HydrophobicContact CB-CG1 3.9Å; W64-V81 HydrophobicContact CB-CG2 3.91Å; W64-V81 HydrophobicContact CD2-CG2 3.66Å; W64-V81 HydrophobicContact CE3-CG2 3.75Å; W64-V81 HydrophobicContact CG-CG1 4.24Å; W64-V81 HydrophobicContact CG-CG2 3.73Å; W64-P90 HydrophobicContact CH2-CG 4.43Å; W64-P90 HydrophobicContact CZ2-CG 4.13Å; W64-V93 HydrophobicContact CH2-CG1 4.15Å; W64-V93 HydrophobicContact CH2-CG2 3.84Å; W64-V93 HydrophobicContact CZ2-CG1 4.5Å; W64-V93 HydrophobicContact CZ3-CG1 4.29Å; W64-V93 HydrophobicContact CZ3-CG2 4.4Å |
| 65 | E | 95.5 | Very high | 96.5 | Very high | 93 Ų | 93 | 51.8 Ų | 51.8 | 44% | 0.435 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.9 | -33.8 | -179.9 | -73.9 | 166.1 | 167.4 | 0 | 0 | 112.1 | R61 V62 K72 | R61-E65 VanDerWaalsContact CD-OE1 3.31Å; R61-E65 WeakPolarHBondContact CD-OE1 3.42Å; R61-E65 HydrophobicContact CG-CG 4.36Å; R61-E65 WeakPolarHBondContact CG-OE1 3.49Å; R61-E65 IonicContact CZ-OE2 3.04Å; R61-E65 IonicContact NE-OE1 3.53Å; R61-E65 PolarHBondContact NE-OE1 3.01Å; R61-E65 IonicContact NE-OE2 3.79Å; R61-E65 PolarHBondContact NE-OE2 3.28Å; R61-E65 IonicContact NH2-OE2 3.21Å; R61-E65 WeakPolarHBondContact O-CB 3.38Å; R61-E65 WeakPolarHBondContact O-CG 3.26Å; R61-E65 PolarHBondContact O-N 3.01Å; V62-E65 PolarHBondContact O-N 3.46Å; E65-K72 PolarHBondContact O-NZ 2.86Å |
| 66 | S | 94.9 | Very high | 96.4 | Very high | 55 Ų | 55 | 56.8 Ų | 56.8 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -80.2 | -15.5 | -176.9 | 72.6 | 0 | 0 | 0 | 0 | 115.5 | G19 V62 T63 W64 | G19-S66 WeakPolarHBondContact O-CB 3.39Å; G19-S66 PolarHBondContact O-OG 3.05Å; V62-S66 WeakPolarHBondContact O-CB 3.4Å; V62-S66 PolarHBondContact O-N 2.91Å; V62-S66 PolarHBondContact O-OG 3.44Å; T63-S66 PolarHBondContact O-N 2.96Å; T63-S66 PolarHBondContact O-OG 2.77Å; T63-S66 VanDerWaalsContact O-OG 3.08Å; W64-S66 VanDerWaalsContact C-N 3.3Å; W64-S66 PolarHBondContact O-N 2.86Å |
| 67 | I | 95 | Very high | 96.3 | Very high | 26 Ų | 26 | 58 Ų | 58 | 13% | 0.133 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -65.7 | 138.5 | 171.4 | -64.2 | 163.1 | 0 | 0 | 0 | 108.3 | M59 T63 W64 F71 K72 L74 | M59-I67 HydrophobicContact SD-CD1 3.68Å; T63-I67 WeakPolarHBondContact O-CG1 3.31Å; T63-I67 PolarHBondContact O-N 2.94Å; W64-I67 PolarHBondContact O-N 2.82Å; I67-F71 HydrophobicContact CG2-CB 3.79Å; I67-K72 HydrophobicContact CB-CG 4.06Å; I67-K72 HydrophobicContact CG2-CG 3.72Å; I67-K72 WeakPolarHBondContact O-CE 3.31Å; I67-K72 PolarHBondContact O-NZ 3.35Å; I67-K72 VanDerWaalsContact O-NZ 3.13Å; I67-L74 HydrophobicContact CD1-CD1 4.4Å; I67-L74 HydrophobicContact CD1-CG 4.49Å |
| 68 | P | 94 | Very high | 96.2 | Very high | 75 Ų | 75 | 58.5 Ų | 58.5 | 49% | 0.487 | 31% | 0.305 | S | S | . | . | trans | -67.5 | 145.3 | 174.3 | -17.6 | 29.4 | 0 | 0 | 0 | 111.7 | S70 F71 K72 | P68-S70 PolarHBondContact O-N 3.42Å; P68-S70 VanDerWaalsContact O-N 3.1Å; P68-F71 HydrophobicContact CB-CD2 4Å; P68-F71 HydrophobicContact CG-CD2 3.98Å; P68-F71 HydrophobicContact CG-CE2 4.47Å; P68-F71 PolarHBondContact O-N 3.46Å; P68-K72 PolarHBondContact O-N 3.48Å | ||
| 69 | E | 95.1 | Very high | 96.2 | Very high | 138 Ų | 138 | 58.7 Ų | 58.7 | 65% | 0.645 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -55.6 | -32.7 | -177.1 | -67.6 | -55.7 | 126.6 | 0 | 0 | 113.7 | F71 K72 | E69-F71 PolarHBondContact O-N 3.33Å; E69-F71 VanDerWaalsContact O-N 3.14Å; E69-K72 PolarHBondContact O-N 2.84Å; E69-K72 VanDerWaalsContact O-N 3.14Å; E69-K72 WeakPolarHBondContact OE1-CE 3.45Å; E69-K72 IonicContact OE1-NZ 3.01Å; E69-K72 PolarHBondContact OE1-NZ 2.84Å |
| 70 | S | 95.8 | Very high | 96.2 | Very high | 99 Ų | 99 | 58.7 Ų | 58.7 | 69% | 0.692 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -64.6 | -16 | 176.2 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | P68 | P68-S70 PolarHBondContact O-N 3.42Å; P68-S70 VanDerWaalsContact O-N 3.1Å |
| 71 | F | 95.3 | Very high | 96.2 | Very high | 131 Ų | 131 | 58 Ų | 58 | 58% | 0.575 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -107 | -6.4 | 176.8 | -66.3 | -78.6 | 0 | 0 | 0 | 113.3 | I67 P68 E69 P73 L74 | I67-F71 HydrophobicContact CG2-CB 3.79Å; P68-F71 HydrophobicContact CB-CD2 4Å; P68-F71 HydrophobicContact CG-CD2 3.98Å; P68-F71 HydrophobicContact CG-CE2 4.47Å; P68-F71 PolarHBondContact O-N 3.46Å; E69-F71 PolarHBondContact O-N 3.33Å; E69-F71 VanDerWaalsContact O-N 3.14Å; F71-P73 CarbonylContact O-C 3.56Å; F71-L74 PolarHBondContact O-N 3.26Å |
| 72 | K | 95.4 | Very high | 96.3 | Very high | 31 Ų | 31 | 54.6 Ų | 54.6 | 14% | 0.135 | 29% | 0.289 | C | S | . | . | trans | -90.7 | 139.7 | 176.5 | -67.2 | -175.7 | -153 | 170.6 | 0 | 111.6 | W64 E65 I67 P68 E69 | W64-K72 HydrophobicContact CD2-CD 4.23Å; W64-K72 HydrophobicContact CE3-CD 4.46Å; W64-K72 HydrophobicContact CH2-CB 3.89Å; W64-K72 HydrophobicContact CH2-CD 4Å; W64-K72 HydrophobicContact CH2-CG 4.02Å; W64-K72 HydrophobicContact CZ2-CB 4.28Å; W64-K72 HydrophobicContact CZ2-CD 3.72Å; W64-K72 HydrophobicContact CZ2-CG 4.26Å; W64-K72 HydrophobicContact CZ3-CB 4.41Å; W64-K72 HydrophobicContact CZ3-CD 4.37Å; W64-K72 HydrophobicContact CZ3-CG 4.2Å; W64-K72 WeakPolarHBondContact O-CE 3.31Å; W64-K72 PolarHBondContact O-NZ 2.92Å; E65-K72 PolarHBondContact O-NZ 2.86Å; I67-K72 HydrophobicContact CB-CG 4.06Å; I67-K72 HydrophobicContact CG2-CG 3.72Å; I67-K72 WeakPolarHBondContact O-CE 3.31Å; I67-K72 PolarHBondContact O-NZ 3.35Å; I67-K72 VanDerWaalsContact O-NZ 3.13Å; P68-K72 PolarHBondContact O-N 3.48Å; E69-K72 PolarHBondContact O-N 2.84Å; E69-K72 VanDerWaalsContact O-N 3.14Å; E69-K72 WeakPolarHBondContact OE1-CE 3.45Å; E69-K72 IonicContact OE1-NZ 3.01Å; E69-K72 PolarHBondContact OE1-NZ 2.84Å | ||
| 73 | P | 97.2 | Very high | 96.4 | Very high | 47 Ų | 47 | 51.9 Ų | 51.9 | 31% | 0.305 | 27% | 0.273 | S | S | . | . | S | Bend | cis | -67.2 | 161 | -21.9 | 30.2 | -33.3 | 0 | 0 | 0 | 111.2 | W64 F71 K75 N79 V93 | W64-P73 HydrophobicContact CH2-CB 4.22Å; W64-P73 HydrophobicContact CZ3-CB 4.48Å; F71-P73 CarbonylContact O-C 3.56Å; P73-K75 PolarHBondContact O-N 2.6Å; P73-N79 HydrophobicContact CB-CB 4.41Å; P73-V93 HydrophobicContact CB-CG2 3.66Å; P73-V93 HydrophobicContact CG-CG2 4.27Å |
| 74 | L | 97.5 | Very high | 96.4 | Very high | 14 Ų | 14 | 56 Ų | 56 | 7% | 0.073 | 30% | 0.303 | C | S | . | . | trans | -64.7 | 106.4 | 177.5 | -66.9 | 179 | 0 | 0 | 0 | 109.5 | F32 V57 M59 I67 F71 R77 N79 I121 | F32-L74 HydrophobicContact CE1-CD1 3.98Å; F32-L74 HydrophobicContact CZ-CD1 4.02Å; V57-L74 HydrophobicContact CG2-CB 4.41Å; V57-L74 HydrophobicContact CG2-CD1 3.97Å; M59-L74 HydrophobicContact CE-CD1 4.35Å; I67-L74 HydrophobicContact CD1-CD1 4.4Å; I67-L74 HydrophobicContact CD1-CG 4.49Å; F71-L74 PolarHBondContact O-N 3.26Å; L74-R77 PolarHBondContact O-N 2.77Å; L74-N79 WeakPolarHBondContact CB-OD1 3.16Å; L74-N79 PolarHBondContact N-OD1 2.79Å; L74-N79 PolarHBondContact O-ND2 3.01Å; L74-I121 HydrophobicContact CD1-CD1 3.93Å | ||
| 75 | K | 95.2 | Very high | 96.3 | Very high | 156 Ų | 156 | 59.2 Ų | 59.2 | 68% | 0.678 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 148.1 | -174.8 | -61.7 | -177.8 | -178.2 | -179.5 | 0 | 112.4 | P73 R77 | P73-K75 PolarHBondContact O-N 2.6Å; K75-R77 PolarHBondContact O-N 3.01Å; K75-R77 PolarHBondContact O-NE 3.4Å; K75-R77 PolarHBondContact O-NH2 2.87Å |
| 76 | D | 94.5 | Very high | 96.2 | Very high | 105 Ų | 105 | 56.4 Ų | 56.4 | 56% | 0.561 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 18.4 | 177.1 | -52 | -48.5 | 0 | 0 | 0 | 115.4 | T37 | T37-D76 HydrophobicContact CG2-CB 3.84Š|
| 77 | R | 96.4 | Very high | 96 | Very high | 27 Ų | 27 | 58.2 Ų | 58.2 | 10% | 0.102 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -132.4 | 150.6 | 178.1 | -72.9 | 154.8 | -76 | -175.2 | -0.1 | 111.2 | T36 T37 N55 V57 L74 K75 N79 | T36-R77 WeakPolarHBondContact O-CD 3.42Å; T36-R77 WeakPolarHBondContact O-CG 3.34Å; T36-R77 PolarHBondContact OG1-NH1 2.89Å; T37-R77 PolarHBondContact OG1-NE 3.38Å; N55-R77 CarbonylContact O-C 3.54Å; N55-R77 VanDerWaalsContact O-CA 3.32Å; N55-R77 WeakPolarHBondContact O-CA 3.35Å; V57-R77 HydrophobicContact CG1-CB 4.41Å; V57-R77 HydrophobicContact CG1-CG 4.32Å; V57-R77 HydrophobicContact CG2-CB 4.05Å; L74-R77 PolarHBondContact O-N 2.77Å; K75-R77 PolarHBondContact O-N 3.01Å; K75-R77 PolarHBondContact O-NE 3.4Å; K75-R77 PolarHBondContact O-NH2 2.87Å; R77-N79 PolarHBondContact O-N 2.9Å; R77-N79 PolarHBondContact O-ND2 3.06Å |
| 78 | I | 97 | Very high | 95.8 | Very high | 10 Ų | 10 | 64.3 Ų | 64.3 | 5% | 0.051 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 115.5 | 167.9 | -59.2 | 155.8 | 0 | 0 | 0 | 106.9 | K54 N55 A56 V57 I80 L106 F111 I114 V115 | K54-I78 HydrophobicContact CB-CD1 4.33Å; K54-I78 HydrophobicContact CB-CG1 4.27Å; N55-I78 PolarHBondContact O-N 2.98Å; A56-I78 CarbonylContact C-O 3.52Å; A56-I78 WeakPolarHBondContact CA-O 2.72Å; A56-I78 HydrophobicContact CB-CB 4.12Å; V57-I78 PolarHBondContact N-O 2.81Å; I78-I80 HydrophobicContact CG2-CD1 4.35Å; I78-I80 HydrophobicContact CG2-CG1 4.11Å; I78-L106 HydrophobicContact CG2-CD2 4.33Å; I78-F111 HydrophobicContact CD1-CD1 3.81Å; I78-F111 HydrophobicContact CD1-CE1 4.48Å; I78-F111 HydrophobicContact CG1-CD1 4.13Å; I78-F111 HydrophobicContact CG1-CE1 4.3Å; I78-F111 HydrophobicContact CG2-CD1 3.84Å; I78-F111 HydrophobicContact CG2-CE1 3.66Å; I78-F111 HydrophobicContact CG2-CZ 4.43Å; I78-I114 HydrophobicContact CD1-CD1 4.05Å; I78-I114 HydrophobicContact CD1-CG1 4.14Å; I78-I114 HydrophobicContact CG1-CD1 4.43Å; I78-V115 HydrophobicContact CD1-CB 4.05Å; I78-V115 HydrophobicContact CD1-CG2 4.29Å |
| 79 | N | 98.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 120.2 | -177.9 | -75.6 | -114.4 | 0 | 0 | 0 | 109.4 | V57 P73 L74 R77 V93 Q94 | V57-N79 HydrophobicContact CG2-CB 4.46Å; P73-N79 HydrophobicContact CB-CB 4.41Å; L74-N79 WeakPolarHBondContact CB-OD1 3.16Å; L74-N79 PolarHBondContact N-OD1 2.79Å; L74-N79 PolarHBondContact O-ND2 3.01Å; R77-N79 PolarHBondContact O-N 2.9Å; R77-N79 PolarHBondContact O-ND2 3.06Å; N79-V93 HydrophobicContact CB-CG1 4.18Å; N79-V93 HydrophobicContact CB-CG2 4.14Å; N79-Q94 PolarHBondContact O-N 3.11Å |
| 80 | I | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 123.4 | 177.9 | -53.8 | -179.9 | 0 | 0 | 0 | 109.3 | V57 V58 M59 I78 Q94 V96 A102 L105 L106 | V57-I80 PolarHBondContact O-N 3Å; V58-I80 WeakPolarHBondContact CA-O 3.34Å; V58-I80 HydrophobicContact CG1-CB 4.47Å; V58-I80 HydrophobicContact CG1-CG2 4.43Å; V58-I80 HydrophobicContact CG2-CB 4.31Å; V58-I80 HydrophobicContact CG2-CD1 4.38Å; M59-I80 PolarHBondContact N-O 3.39Å; I78-I80 HydrophobicContact CG2-CD1 4.35Å; I78-I80 HydrophobicContact CG2-CG1 4.11Å; I80-Q94 CarbonylContact C-O 3.5Å; I80-Q94 WeakPolarHBondContact CA-O 3.29Å; I80-Q94 HydrophobicContact CG1-CB 4.14Å; I80-Q94 HydrophobicContact CG2-CB 4.42Å; I80-V96 HydrophobicContact CG2-CG1 4.46Å; I80-V96 HydrophobicContact CG2-CG2 3.63Å; I80-A102 HydrophobicContact CG2-CB 3.91Å; I80-L105 HydrophobicContact CD1-CD2 4.13Å; I80-L106 HydrophobicContact CD1-CD1 3.93Å; I80-L106 HydrophobicContact CD1-CD2 3.55Å; I80-L106 HydrophobicContact CD1-CG 3.62Å |
| 81 | V | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 118.2 | 175.9 | -172.3 | 0 | 0 | 0 | 0 | 109.7 | M59 W64 S83 L86 V93 Q94 I95 V96 | M59-V81 HydrophobicContact CG-CG2 4.23Å; M59-V81 CarbonylContact O-C 3.53Å; M59-V81 VanDerWaalsContact O-CA 3.3Å; M59-V81 WeakPolarHBondContact O-CA 3.37Å; W64-V81 HydrophobicContact CB-CG1 3.9Å; W64-V81 HydrophobicContact CB-CG2 3.91Å; W64-V81 HydrophobicContact CD2-CG2 3.66Å; W64-V81 HydrophobicContact CE3-CG2 3.75Å; W64-V81 HydrophobicContact CG-CG1 4.24Å; W64-V81 HydrophobicContact CG-CG2 3.73Å; V81-S83 PolarHBondContact O-N 3.16Å; V81-L86 HydrophobicContact CB-CD2 4.22Å; V81-L86 HydrophobicContact CG1-CD2 3.77Å; V81-V93 HydrophobicContact CG2-CG1 3.91Å; V81-Q94 PolarHBondContact N-O 2.9Å; V81-I95 WeakPolarHBondContact O-CA 3.4Å; V81-V96 PolarHBondContact O-N 2.96Å |
| 82 | V | 98.6 | Very high | 94.8 | Very high | 21 Ų | 21 | 61.3 Ų | 61.3 | 13% | 0.127 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 108.8 | 173.6 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | V58 M59 R61 V96 S98 A102 L126 | V58-V82 HydrophobicContact CG1-CG2 3.7Å; M59-V82 PolarHBondContact O-N 2.65Å; R61-V82 PolarHBondContact N-O 2.92Å; V82-V96 CarbonylContact C-O 3.56Å; V82-V96 VanDerWaalsContact CA-O 3.27Å; V82-V96 WeakPolarHBondContact CA-O 3.27Å; V82-V96 HydrophobicContact CG2-CG2 3.98Å; V82-S98 VanDerWaalsContact CG1-C 3.46Å; V82-A102 HydrophobicContact CG2-CB 4.09Å; V82-L126 HydrophobicContact CB-CD1 4.18Å; V82-L126 HydrophobicContact CB-CD2 4.03Å; V82-L126 HydrophobicContact CG1-CD2 4.11Å; V82-L126 HydrophobicContact CG2-CD1 3.95Å; V82-L126 HydrophobicContact CG2-CD2 3.91Å |
| 83 | S | 98 | Very high | 94.9 | Very high | 14 Ų | 14 | 60.4 Ų | 60.4 | 10% | 0.098 | 34% | 0.34 | C | S | . | . | trans | -159.6 | 143.4 | -177.8 | -171.4 | 0 | 0 | 0 | 0 | 111.6 | V81 T85 L86 V96 | V81-S83 PolarHBondContact O-N 3.16Å; S83-T85 PolarHBondContact OG-N 2.94Å; S83-L86 WeakPolarHBondContact OG-CB 3.13Å; S83-L86 PolarHBondContact OG-N 3.48Å; S83-V96 PolarHBondContact N-O 3.22Å | ||
| 84 | S | 95.4 | Very high | 94.9 | Very high | 114 Ų | 114 | 60.2 Ų | 60.2 | 80% | 0.797 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -98.8 | -5.4 | 167.6 | 57.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 85 | T | 95.8 | Very high | 94.9 | Very high | 84 Ų | 84 | 62.2 Ų | 62.2 | 52% | 0.515 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -118.9 | -16.8 | -175.1 | 69.2 | 0 | 0 | 0 | 0 | 113.7 | R61 S83 S87 | R61-T85 WeakPolarHBondContact CD-OG1 3.34Å; R61-T85 PolarHBondContact NH1-OG1 2.76Å; S83-T85 PolarHBondContact OG-N 2.94Å; T85-S87 PolarHBondContact O-N 3.35Å |
| 86 | L | 94.3 | Very high | 95.1 | Very high | 33 Ų | 33 | 55.4 Ų | 55.4 | 17% | 0.173 | 32% | 0.316 | C | S | . | . | trans | -78.1 | 112.8 | 177.8 | -169.8 | 68.7 | 0 | 0 | 0 | 107.5 | R61 V81 S83 I95 | R61-L86 HydrophobicContact CG-CB 4.31Å; V81-L86 HydrophobicContact CB-CD2 4.22Å; V81-L86 HydrophobicContact CG1-CD2 3.77Å; S83-L86 WeakPolarHBondContact OG-CB 3.13Å; S83-L86 PolarHBondContact OG-N 3.48Å; L86-I95 HydrophobicContact CB-CD1 4.31Å; L86-I95 HydrophobicContact CB-CG2 4.47Å; L86-I95 HydrophobicContact CD2-CD1 3.95Å; L86-I95 HydrophobicContact CD2-CG1 4.3Å; L86-I95 HydrophobicContact CG-CD1 3.91Å | ||
| 87 | S | 90 | Very high | 95.2 | Very high | 94 Ų | 94 | 55.1 Ų | 55.1 | 66% | 0.657 | 32% | 0.32 | S | S | * | . | trans | -93.5 | -20.7 | -175 | 49.5 | 0 | 0 | 0 | 0 | 113.6 | T85 | T85-S87 PolarHBondContact O-N 3.35Š| ||
| 88 | H | 90.2 | Very high | 95.3 | Very high | 154 Ų | 154 | 56.2 Ų | 56.2 | 71% | 0.713 | 33% | 0.332 | S | S | * | . | trans | -138.5 | 140.2 | -176.1 | -57.1 | 84.4 | 0 | 0 | 0 | 110.2 | ||||
| 89 | A | 88.3 | Confident | 95.3 | Very high | 35 Ų | 35 | 56 Ų | 56 | 29% | 0.289 | 33% | 0.33 | S | S | . | . | trans | -138.4 | 159.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | V93 I95 | A89-V93 HydrophobicContact CB-CB 3.72Å; A89-V93 HydrophobicContact CB-CG1 3.69Å; A89-I95 HydrophobicContact CB-CD1 3.73Å; A89-I95 HydrophobicContact CB-CG1 3.87Å | ||
| 90 | P | 91.7 | Very high | 95.2 | Very high | 59 Ų | 59 | 61 Ų | 61 | 38% | 0.383 | 36% | 0.357 | S | S | . | . | trans | -54.2 | 158.6 | 172.4 | -24.3 | 34.2 | 0 | 0 | 0 | 112 | W64 F92 V93 | W64-P90 HydrophobicContact CH2-CG 4.43Å; W64-P90 HydrophobicContact CZ2-CG 4.13Å; P90-F92 PolarHBondContact O-N 2.91Å; P90-V93 HydrophobicContact CB-CG2 4.22Å; P90-V93 HydrophobicContact CG-CG2 4.48Å; P90-V93 WeakPolarHBondContact O-CB 3.33Å; P90-V93 PolarHBondContact O-N 2.68Å; P90-V93 VanDerWaalsContact O-N 3.11Å | ||
| 91 | S | 89.3 | Confident | 95.2 | Very high | 98 Ų | 98 | 62.1 Ų | 62.1 | 69% | 0.685 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | 141.6 | 175 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | V93 | S91-V93 PolarHBondContact O-N 2.93Š|
| 92 | F | 90.3 | Very high | 95.2 | Very high | 187 Ų | 187 | 62.1 Ų | 62.1 | 82% | 0.82 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 2.2 | -178.1 | -46.9 | -77.5 | 0 | 0 | 0 | 116.2 | P90 | P90-F92 PolarHBondContact O-N 2.91Š|
| 93 | V | 97.5 | Very high | 95.1 | Very high | 13 Ų | 13 | 61.3 Ų | 61.3 | 8% | 0.079 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 128.3 | 166.9 | -177.4 | 0 | 0 | 0 | 0 | 109 | W64 P73 N79 V81 A89 P90 S91 | W64-V93 HydrophobicContact CH2-CG1 4.15Å; W64-V93 HydrophobicContact CH2-CG2 3.84Å; W64-V93 HydrophobicContact CZ2-CG1 4.5Å; W64-V93 HydrophobicContact CZ3-CG1 4.29Å; W64-V93 HydrophobicContact CZ3-CG2 4.4Å; P73-V93 HydrophobicContact CB-CG2 3.66Å; P73-V93 HydrophobicContact CG-CG2 4.27Å; N79-V93 HydrophobicContact CB-CG1 4.18Å; N79-V93 HydrophobicContact CB-CG2 4.14Å; V81-V93 HydrophobicContact CG2-CG1 3.91Å; A89-V93 HydrophobicContact CB-CB 3.72Å; A89-V93 HydrophobicContact CB-CG1 3.69Å; P90-V93 HydrophobicContact CB-CG2 4.22Å; P90-V93 HydrophobicContact CG-CG2 4.48Å; P90-V93 WeakPolarHBondContact O-CB 3.33Å; P90-V93 PolarHBondContact O-N 2.68Å; P90-V93 VanDerWaalsContact O-N 3.11Å; S91-V93 PolarHBondContact O-N 2.93Å |
| 94 | Q | 97.7 | Very high | 95 | Very high | 43 Ų | 43 | 65.8 Ų | 65.8 | 20% | 0.201 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 136.1 | -178.4 | -53.9 | -60.1 | -34.7 | 0 | 0 | 109.8 | N79 I80 V81 L105 F111 | N79-Q94 PolarHBondContact O-N 3.11Å; I80-Q94 CarbonylContact C-O 3.5Å; I80-Q94 WeakPolarHBondContact CA-O 3.29Å; I80-Q94 HydrophobicContact CG1-CB 4.14Å; I80-Q94 HydrophobicContact CG2-CB 4.42Å; V81-Q94 PolarHBondContact N-O 2.9Å; Q94-L105 HydrophobicContact CB-CD2 3.59Å; Q94-L105 HydrophobicContact CG-CD2 3.8Å; Q94-F111 HydrophobicContact CG-CE2 4.16Å; Q94-F111 HydrophobicContact CG-CZ 3.79Å |
| 95 | I | 97.8 | Very high | 95.1 | Very high | 55 Ų | 55 | 61.7 Ų | 61.7 | 28% | 0.282 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 127.3 | 172.2 | -52.9 | 176.2 | 0 | 0 | 0 | 108.2 | V81 L86 A89 | V81-I95 WeakPolarHBondContact O-CA 3.4Å; L86-I95 HydrophobicContact CB-CD1 4.31Å; L86-I95 HydrophobicContact CB-CG2 4.47Å; L86-I95 HydrophobicContact CD2-CD1 3.95Å; L86-I95 HydrophobicContact CD2-CG1 4.3Å; L86-I95 HydrophobicContact CG-CD1 3.91Å; A89-I95 HydrophobicContact CB-CD1 3.73Å; A89-I95 HydrophobicContact CB-CG1 3.87Å |
| 96 | V | 97.8 | Very high | 95 | Very high | 14 Ų | 14 | 57.9 Ų | 57.9 | 9% | 0.085 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 151.7 | -179.3 | -64 | 0 | 0 | 0 | 0 | 110.8 | I80 V81 V82 S83 S98 A101 A102 L105 | I80-V96 HydrophobicContact CG2-CG1 4.46Å; I80-V96 HydrophobicContact CG2-CG2 3.63Å; V81-V96 PolarHBondContact O-N 2.96Å; V82-V96 CarbonylContact C-O 3.56Å; V82-V96 VanDerWaalsContact CA-O 3.27Å; V82-V96 WeakPolarHBondContact CA-O 3.27Å; V82-V96 HydrophobicContact CG2-CG2 3.98Å; S83-V96 PolarHBondContact N-O 3.22Å; V96-S98 PolarHBondContact O-N 2.79Å; V96-A101 HydrophobicContact CB-CB 4.02Å; V96-A102 HydrophobicContact CG2-CB 3.72Å; V96-L105 HydrophobicContact CG1-CD2 3.82Å |
| 97 | P | 97.5 | Very high | 94.9 | Very high | 99 Ų | 99 | 62.1 Ų | 62.1 | 64% | 0.643 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -80.2 | -16.3 | -170.9 | 30.7 | -36.8 | 0 | 0 | 0 | 114.4 | A101 | P97-A101 HydrophobicContact CG-CB 4.13Š|
| 98 | S | 98.1 | Very high | 95 | Very high | 49 Ų | 49 | 60.2 Ų | 60.2 | 34% | 0.343 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -152.3 | 165 | -173.8 | 69.8 | 0 | 0 | 0 | 0 | 112.7 | V82 V96 A101 A102 | V82-S98 VanDerWaalsContact CG1-C 3.46Å; V96-S98 PolarHBondContact O-N 2.79Å; S98-A101 PolarHBondContact O-N 3.29Å; S98-A101 WeakPolarHBondContact OG-CB 3.34Å; S98-A101 PolarHBondContact OG-N 2.92Å; S98-A101 VanDerWaalsContact OG-N 3.12Å; S98-A102 PolarHBondContact O-N 3.15Å; S98-A102 VanDerWaalsContact O-N 3.08Å |
| 99 | F | 97.8 | Very high | 94.9 | Very high | 6 Ų | 6 | 61.7 Ų | 61.7 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.1 | -46.5 | 171.6 | 172.6 | -92.5 | 0 | 0 | 0 | 111.9 | L3 A101 A102 I103 I120 L126 E129 A130 | L3-F99 HydrophobicContact CD1-CE2 4.46Å; L3-F99 HydrophobicContact CD1-CZ 3.68Å; L3-F99 HydrophobicContact CD2-CZ 4.48Å; F99-A101 VanDerWaalsContact C-N 3.33Å; F99-A101 PolarHBondContact O-N 3.22Å; F99-A102 VanDerWaalsContact O-CB 3.3Å; F99-A102 WeakPolarHBondContact O-CB 3.35Å; F99-A102 PolarHBondContact O-N 2.96Å; F99-A102 VanDerWaalsContact O-N 3.08Å; F99-I103 HydrophobicContact CD1-CG1 4.43Å; F99-I103 HydrophobicContact CE1-CG1 4.02Å; F99-I103 HydrophobicContact CE2-CD1 4.48Å; F99-I103 HydrophobicContact CZ-CD1 4.24Å; F99-I103 HydrophobicContact CZ-CG1 4.11Å; F99-I103 PolarHBondContact O-N 2.98Å; F99-I103 VanDerWaalsContact O-N 3.1Å; F99-I120 HydrophobicContact CD2-CD1 4.47Å; F99-I120 HydrophobicContact CE2-CD1 3.85Å; F99-I120 HydrophobicContact CE2-CG1 4.3Å; F99-L126 HydrophobicContact CB-CD2 4.02Å; F99-L126 HydrophobicContact CD2-CD2 4.2Å; F99-E129 HydrophobicContact CB-CB 4.34Å; F99-E129 WeakPolarHBondContact CB-OE2 3.25Å; F99-E129 HydrophobicContact CD1-CB 4.45Å; F99-E129 HydrophobicContact CD2-CB 4.4Å; F99-E129 HydrophobicContact CG-CB 4.16Å; F99-A130 HydrophobicContact CE2-CB 3.97Å; F99-A130 HydrophobicContact CZ-CB 4.29Å |
| 100 | N | 97.1 | Very high | 95 | Very high | 108 Ų | 108 | 65.4 Ų | 65.4 | 58% | 0.578 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60.3 | -43.7 | 178.1 | -69.7 | -5.1 | 0 | 0 | 0 | 111.5 | A102 I103 D104 | N100-A102 VanDerWaalsContact C-N 3.25Å; N100-A102 PolarHBondContact O-N 2.74Å; N100-I103 PolarHBondContact O-N 3.12Å; N100-D104 VanDerWaalsContact O-CG 3.26Å; N100-D104 PolarHBondContact O-N 2.88Å |
| 101 | A | 97.8 | Very high | 95.1 | Very high | 24 Ų | 24 | 63.1 Ų | 63.1 | 20% | 0.198 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.6 | -32 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V96 P97 S98 F99 L105 | V96-A101 HydrophobicContact CB-CB 4.02Å; P97-A101 HydrophobicContact CG-CB 4.13Å; S98-A101 PolarHBondContact O-N 3.29Å; S98-A101 WeakPolarHBondContact OG-CB 3.34Å; S98-A101 PolarHBondContact OG-N 2.92Å; S98-A101 VanDerWaalsContact OG-N 3.12Å; F99-A101 VanDerWaalsContact C-N 3.33Å; F99-A101 PolarHBondContact O-N 3.22Å; A101-L105 VanDerWaalsContact O-CB 3.23Å; A101-L105 WeakPolarHBondContact O-CB 3.32Å; A101-L105 PolarHBondContact O-N 3.11Å |
| 102 | A | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V58 I80 V82 V96 S98 F99 N100 L106 | V58-A102 HydrophobicContact CG1-CB 3.81Å; I80-A102 HydrophobicContact CG2-CB 3.91Å; V82-A102 HydrophobicContact CG2-CB 4.09Å; V96-A102 HydrophobicContact CG2-CB 3.72Å; S98-A102 PolarHBondContact O-N 3.15Å; S98-A102 VanDerWaalsContact O-N 3.08Å; F99-A102 VanDerWaalsContact O-CB 3.3Å; F99-A102 WeakPolarHBondContact O-CB 3.35Å; F99-A102 PolarHBondContact O-N 2.96Å; F99-A102 VanDerWaalsContact O-N 3.08Å; N100-A102 VanDerWaalsContact C-N 3.25Å; N100-A102 PolarHBondContact O-N 2.74Å; A102-L106 WeakPolarHBondContact O-CG 3.42Å; A102-L106 PolarHBondContact O-N 3.45Å |
| 103 | I | 96.5 | Very high | 95.2 | Very high | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.9 | -49.1 | 177 | -58.3 | -51.9 | 0 | 0 | 0 | 110.5 | M1 L3 F99 N100 L105 L106 Y107 V118 Y136 | M1-I103 HydrophobicContact CE-CD1 4.24Å; M1-I103 HydrophobicContact CE-CG2 3.69Å; L3-I103 HydrophobicContact CD2-CD1 3.86Å; F99-I103 HydrophobicContact CD1-CG1 4.43Å; F99-I103 HydrophobicContact CE1-CG1 4.02Å; F99-I103 HydrophobicContact CE2-CD1 4.48Å; F99-I103 HydrophobicContact CZ-CD1 4.24Å; F99-I103 HydrophobicContact CZ-CG1 4.11Å; F99-I103 PolarHBondContact O-N 2.98Å; F99-I103 VanDerWaalsContact O-N 3.1Å; N100-I103 PolarHBondContact O-N 3.12Å; I103-L105 VanDerWaalsContact C-N 3.25Å; I103-L105 PolarHBondContact O-N 3.39Å; I103-L106 PolarHBondContact O-N 3.32Å; I103-Y107 HydrophobicContact CG2-CD2 4.04Å; I103-Y107 HydrophobicContact CG2-CE2 3.99Å; I103-Y107 WeakPolarHBondContact O-CD2 3.2Å; I103-Y107 PolarHBondContact O-N 3Å; I103-V118 HydrophobicContact CD1-CG1 4.45Å; I103-Y136 HydrophobicContact CG2-CE2 4.19Å |
| 104 | D | 97 | Very high | 94.9 | Very high | 109 Ų | 109 | 57.7 Ų | 57.7 | 58% | 0.583 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -58.2 | -39.8 | 179.5 | -64.5 | -22.7 | 0 | 0 | 0 | 111.4 | N100 L106 Y107 N108 | N100-D104 VanDerWaalsContact O-CG 3.26Å; N100-D104 PolarHBondContact O-N 2.88Å; D104-L106 VanDerWaalsContact C-N 3.32Å; D104-L106 PolarHBondContact O-N 3.32Å; D104-Y107 PolarHBondContact O-N 3.09Å; D104-Y107 VanDerWaalsContact O-N 3.15Å; D104-N108 PolarHBondContact O-N 2.99Å |
| 105 | L | 96.7 | Very high | 94.8 | Very high | 28 Ų | 28 | 57 Ų | 57 | 15% | 0.147 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.8 | -43.6 | 174.6 | -177.8 | 68.9 | 0 | 0 | 0 | 111.9 | I80 Q94 V96 A101 I103 Y107 N108 F111 | I80-L105 HydrophobicContact CD1-CD2 4.13Å; Q94-L105 HydrophobicContact CB-CD2 3.59Å; Q94-L105 HydrophobicContact CG-CD2 3.8Å; V96-L105 HydrophobicContact CG1-CD2 3.82Å; A101-L105 VanDerWaalsContact O-CB 3.23Å; A101-L105 WeakPolarHBondContact O-CB 3.32Å; A101-L105 PolarHBondContact O-N 3.11Å; I103-L105 VanDerWaalsContact C-N 3.25Å; I103-L105 PolarHBondContact O-N 3.39Å; L105-Y107 PolarHBondContact O-N 3.09Å; L105-N108 PolarHBondContact O-N 3.42Å; L105-N108 PolarHBondContact O-OD1 3.07Å; L105-F111 HydrophobicContact CD1-CD2 4.05Å; L105-F111 HydrophobicContact CD1-CE2 3.9Å; L105-F111 HydrophobicContact CD2-CE2 4.21Å; L105-F111 HydrophobicContact CG-CD2 3.85Å; L105-F111 HydrophobicContact CG-CE2 3.91Å |
| 106 | L | 94.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.7 | -17.2 | -179.2 | -69.6 | 172.7 | 0 | 0 | 0 | 113.6 | A56 I78 I80 A102 I103 D104 F111 S112 V115 V118 | A56-L106 HydrophobicContact CB-CD1 3.72Å; A56-L106 HydrophobicContact CB-CD2 3.61Å; A56-L106 HydrophobicContact CB-CG 4.33Å; I78-L106 HydrophobicContact CG2-CD2 4.33Å; I80-L106 HydrophobicContact CD1-CD1 3.93Å; I80-L106 HydrophobicContact CD1-CD2 3.55Å; I80-L106 HydrophobicContact CD1-CG 3.62Å; A102-L106 WeakPolarHBondContact O-CG 3.42Å; A102-L106 PolarHBondContact O-N 3.45Å; I103-L106 PolarHBondContact O-N 3.32Å; D104-L106 VanDerWaalsContact C-N 3.32Å; D104-L106 PolarHBondContact O-N 3.32Å; L106-F111 HydrophobicContact CD2-CB 4.26Å; L106-F111 HydrophobicContact CD2-CG 4.47Å; L106-S112 PolarHBondContact O-N 3.16Å; L106-V115 HydrophobicContact CD2-CB 4.36Å; L106-V115 HydrophobicContact CD2-CG2 4.03Å; L106-V118 HydrophobicContact CD1-CB 4.33Å; L106-V118 HydrophobicContact CD1-CG1 3.74Å; L106-V118 HydrophobicContact CD1-CG2 3.61Å |
| 107 | Y | 91.2 | Very high | 94.5 | Very high | 122 Ų | 122 | 57.9 Ų | 57.9 | 48% | 0.478 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -3.8 | 175.9 | -82.5 | -80.2 | 0 | 0 | 0 | 114.1 | M1 I103 D104 L105 | M1-Y107 WeakPolarHBondContact CB-OH 3.41Å; M1-Y107 HydrophobicContact CE-CE2 3.84Å; M1-Y107 HydrophobicContact SD-CE2 3.85Å; I103-Y107 HydrophobicContact CG2-CD2 4.04Å; I103-Y107 HydrophobicContact CG2-CE2 3.99Å; I103-Y107 WeakPolarHBondContact O-CD2 3.2Å; I103-Y107 PolarHBondContact O-N 3Å; D104-Y107 PolarHBondContact O-N 3.09Å; D104-Y107 VanDerWaalsContact O-N 3.15Å; L105-Y107 PolarHBondContact O-N 3.09Å |
| 108 | N | 92.1 | Very high | 94.6 | Very high | 54 Ų | 54 | 53.3 Ų | 53.3 | 29% | 0.289 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -72.9 | 172.2 | 177.9 | 81.5 | -0.6 | 0 | 0 | 0 | 112 | D104 L105 E110 F111 S112 | D104-N108 PolarHBondContact O-N 2.99Å; L105-N108 PolarHBondContact O-N 3.42Å; L105-N108 PolarHBondContact O-OD1 3.07Å; N108-E110 PolarHBondContact O-N 2.95Å; N108-E110 WeakPolarHBondContact OD1-CA 3.41Å; N108-E110 VanDerWaalsContact OD1-CB 3.28Å; N108-E110 WeakPolarHBondContact OD1-CB 3.5Å; N108-E110 PolarHBondContact OD1-N 3.43Å; N108-F111 PolarHBondContact O-N 3.15Å; N108-F111 WeakPolarHBondContact OD1-CD2 3.3Å; N108-F111 PolarHBondContact OD1-N 2.77Å; N108-S112 WeakPolarHBondContact O-CB 3.24Å; N108-S112 PolarHBondContact O-N 2.74Å; N108-S112 PolarHBondContact O-OG 2.98Å |
| 109 | E | 88.3 | Confident | 94.6 | Very high | 186 Ų | 186 | 51.1 Ų | 51.1 | 87% | 0.869 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -26.5 | -179.6 | -63.6 | -171.3 | 171.3 | 0 | 0 | 113.7 | ||
| 110 | E | 90.8 | Very high | 94.6 | Very high | 113 Ų | 113 | 50.9 Ų | 50.9 | 53% | 0.528 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -42.8 | 179.7 | -172.5 | -176.8 | 173.3 | 0 | 0 | 111.9 | N108 | N108-E110 PolarHBondContact O-N 2.95Å; N108-E110 WeakPolarHBondContact OD1-CA 3.41Å; N108-E110 VanDerWaalsContact OD1-CB 3.28Å; N108-E110 WeakPolarHBondContact OD1-CB 3.5Å; N108-E110 PolarHBondContact OD1-N 3.43Å |
| 111 | F | 93.4 | Very high | 94.7 | Very high | 11 Ų | 11 | 46.3 Ų | 46.3 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -25.9 | -172.2 | -66.7 | -71.9 | 0 | 0 | 0 | 114.8 | I78 Q94 L105 L106 N108 S113 I114 V115 | I78-F111 HydrophobicContact CD1-CD1 3.81Å; I78-F111 HydrophobicContact CD1-CE1 4.48Å; I78-F111 HydrophobicContact CG1-CD1 4.13Å; I78-F111 HydrophobicContact CG1-CE1 4.3Å; I78-F111 HydrophobicContact CG2-CD1 3.84Å; I78-F111 HydrophobicContact CG2-CE1 3.66Å; I78-F111 HydrophobicContact CG2-CZ 4.43Å; Q94-F111 HydrophobicContact CG-CE2 4.16Å; Q94-F111 HydrophobicContact CG-CZ 3.79Å; L105-F111 HydrophobicContact CD1-CD2 4.05Å; L105-F111 HydrophobicContact CD1-CE2 3.9Å; L105-F111 HydrophobicContact CD2-CE2 4.21Å; L105-F111 HydrophobicContact CG-CD2 3.85Å; L105-F111 HydrophobicContact CG-CE2 3.91Å; L106-F111 HydrophobicContact CD2-CB 4.26Å; L106-F111 HydrophobicContact CD2-CG 4.47Å; N108-F111 PolarHBondContact O-N 3.15Å; N108-F111 WeakPolarHBondContact OD1-CD2 3.3Å; N108-F111 PolarHBondContact OD1-N 2.77Å; F111-S113 PolarHBondContact O-N 3.11Å; F111-I114 HydrophobicContact CB-CG1 4.5Å; F111-I114 HydrophobicContact CD1-CD1 3.69Å; F111-I114 HydrophobicContact CD1-CG1 4.21Å; F111-I114 HydrophobicContact CE1-CD1 4.17Å; F111-I114 VanDerWaalsContact O-CG1 3.23Å; F111-I114 WeakPolarHBondContact O-CG1 3.47Å; F111-I114 PolarHBondContact O-N 2.92Å; F111-V115 WeakPolarHBondContact O-CG1 3.32Å; F111-V115 PolarHBondContact O-N 3.49Å |
| 112 | S | 91.4 | Very high | 94.7 | Very high | 62 Ų | 62 | 45.2 Ų | 45.2 | 43% | 0.434 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23.9 | -174.2 | 56.8 | 0 | 0 | 0 | 0 | 114.5 | L106 N108 | L106-S112 PolarHBondContact O-N 3.16Å; N108-S112 WeakPolarHBondContact O-CB 3.24Å; N108-S112 PolarHBondContact O-N 2.74Å; N108-S112 PolarHBondContact O-OG 2.98Å |
| 113 | S | 89.8 | Confident | 94.5 | Very high | 75 Ų | 75 | 46.3 Ų | 46.3 | 52% | 0.524 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -9.3 | 177.1 | 64.6 | 0 | 0 | 0 | 0 | 114.4 | F111 | F111-S113 PolarHBondContact O-N 3.11Š|
| 114 | I | 92 | Very high | 94.5 | Very high | 46 Ų | 46 | 50.6 Ų | 50.6 | 24% | 0.236 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | -23.4 | -175.6 | 58.4 | 167.3 | 0 | 0 | 0 | 113.8 | L53 K54 I78 F111 | L53-I114 CarbonylContact C-O 3.11Å; L53-I114 WeakPolarHBondContact CA-O 3.36Å; K54-I114 PolarHBondContact N-O 3.29Å; I78-I114 HydrophobicContact CD1-CD1 4.05Å; I78-I114 HydrophobicContact CD1-CG1 4.14Å; I78-I114 HydrophobicContact CG1-CD1 4.43Å; F111-I114 HydrophobicContact CB-CG1 4.5Å; F111-I114 HydrophobicContact CD1-CD1 3.69Å; F111-I114 HydrophobicContact CD1-CG1 4.21Å; F111-I114 HydrophobicContact CE1-CD1 4.17Å; F111-I114 VanDerWaalsContact O-CG1 3.23Å; F111-I114 WeakPolarHBondContact O-CG1 3.47Å; F111-I114 PolarHBondContact O-N 2.92Å |
| 115 | V | 94.5 | Very high | 94.5 | Very high | 29 Ų | 29 | 54.1 Ų | 54.1 | 18% | 0.176 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 133.2 | -179.9 | 70.5 | 0 | 0 | 0 | 0 | 111.6 | K54 A56 I78 L106 F111 V118 | K54-V115 CarbonylContact O-C 3.57Å; K54-V115 VanDerWaalsContact O-CA 3.27Å; K54-V115 WeakPolarHBondContact O-CA 3.47Å; A56-V115 HydrophobicContact CB-CG2 3.95Å; I78-V115 HydrophobicContact CD1-CB 4.05Å; I78-V115 HydrophobicContact CD1-CG2 4.29Å; L106-V115 HydrophobicContact CD2-CB 4.36Å; L106-V115 HydrophobicContact CD2-CG2 4.03Å; F111-V115 WeakPolarHBondContact O-CG1 3.32Å; F111-V115 PolarHBondContact O-N 3.49Å; V115-V118 HydrophobicContact CG2-CG2 4.28Å |
| 116 | D | 94.7 | Very high | 94.6 | Very high | 44 Ų | 44 | 53.1 Ų | 53.1 | 24% | 0.235 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -80.9 | 171.8 | -176.8 | 21.9 | 0 | 0 | 0 | 111.2 | A39 H40 L53 K54 | A39-D116 WeakPolarHBondContact CA-OD2 3.38Å; A39-D116 HydrophobicContact CB-CB 4.13Å; H40-D116 IonicContact CE1-OD1 3.1Å; H40-D116 IonicContact CE1-OD2 2.74Å; H40-D116 IonicContact CG-OD1 2.77Å; H40-D116 IonicContact CG-OD2 3.86Å; H40-D116 PolarHBondContact N-OD2 2.9Å; H40-D116 VanDerWaalsContact ND1-CG 3.28Å; H40-D116 IonicContact ND1-OD1 3.82Å; H40-D116 PolarHBondContact ND1-OD1 3Å; H40-D116 IonicContact ND1-OD2 2.6Å; H40-D116 PolarHBondContact ND1-OD2 3.22Å; L53-D116 HydrophobicContact CB-CB 3.81Å; L53-D116 HydrophobicContact CD1-CB 4.17Å; K54-D116 PolarHBondContact O-N 3.09Å |
| 117 | E | 96.2 | Very high | 94.7 | Very high | 44 Ų | 44 | 53.7 Ų | 53.7 | 21% | 0.206 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 152.1 | 175.5 | -67.2 | -152.5 | 164.1 | 0 | 0 | 112.7 | R2 N4 N55 A56 F119 | R2-E117 IonicContact CZ-OE1 2.59Å; R2-E117 VanDerWaalsContact NH2-CD 3.3Å; R2-E117 IonicContact NH2-OE1 3.44Å; R2-E117 PolarHBondContact NH2-OE1 3.22Å; R2-E117 IonicContact NH2-OE2 3.73Å; R2-E117 PolarHBondContact NH2-OE2 3.35Å; R2-E117 VanDerWaalsContact NH2-OE2 3.1Å; N4-E117 PolarHBondContact ND2-OE2 2.9Å; N55-E117 CarbonylContact C-O 3.39Å; N55-E117 VanDerWaalsContact CA-O 3.28Å; N55-E117 WeakPolarHBondContact CA-O 3.39Å; N55-E117 PolarHBondContact OD1-N 3.47Å; N55-E117 VanDerWaalsContact OD1-N 3.11Å; A56-E117 PolarHBondContact N-O 2.85Å; E117-F119 HydrophobicContact CB-CD2 4.44Å; E117-F119 HydrophobicContact CB-CE2 3.65Å; E117-F119 HydrophobicContact CB-CZ 4.08Å |
| 118 | V | 97.9 | Very high | 95 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.018 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 125.4 | 178.6 | -174.1 | 0 | 0 | 0 | 0 | 110 | M1 L3 N4 V58 I103 L106 V115 I120 | M1-V118 HydrophobicContact CG-CG2 4.19Å; M1-V118 HydrophobicContact SD-CB 4.24Å; M1-V118 HydrophobicContact SD-CG2 3.56Å; M1-V118 VanDerWaalsContact SD-CG2 3.56Å; L3-V118 HydrophobicContact CD2-CG1 4.43Å; N4-V118 WeakPolarHBondContact CB-O 3.1Å; N4-V118 PolarHBondContact N-O 2.97Å; N4-V118 PolarHBondContact ND2-O 2.87Å; V58-V118 HydrophobicContact CG2-CG1 3.95Å; I103-V118 HydrophobicContact CD1-CG1 4.45Å; L106-V118 HydrophobicContact CD1-CB 4.33Å; L106-V118 HydrophobicContact CD1-CG1 3.74Å; L106-V118 HydrophobicContact CD1-CG2 3.61Å; V115-V118 HydrophobicContact CG2-CG2 4.28Å; V118-I120 HydrophobicContact CG1-CD1 4.36Å |
| 119 | F | 98.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 1% | 0.013 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 119 | 179.7 | -64.6 | -89.8 | 0 | 0 | 0 | 111.2 | N4 V6 V35 T36 N55 A56 V57 V58 E117 I121 Y141 | N4-F119 HydrophobicContact CB-CD1 3.37Å; N4-F119 HydrophobicContact CB-CE1 3.5Å; N4-F119 HydrophobicContact CB-CG 4.12Å; N4-F119 HydrophobicContact CB-CZ 4.32Å; N4-F119 CarbonylContact O-C 3.57Å; N4-F119 WeakPolarHBondContact O-CA 3.27Å; V6-F119 HydrophobicContact CG2-CB 4.34Å; V6-F119 HydrophobicContact CG2-CD1 3.5Å; V6-F119 HydrophobicContact CG2-CE1 4.29Å; V6-F119 HydrophobicContact CG2-CG 4.33Å; V35-F119 HydrophobicContact CG1-CD1 4.19Å; V35-F119 HydrophobicContact CG1-CE1 3.52Å; V35-F119 HydrophobicContact CG1-CZ 4.21Å; V35-F119 VanDerWaalsContact O-CZ 3.24Å; V35-F119 WeakPolarHBondContact O-CZ 3.36Å; T36-F119 HydrophobicContact CG2-CB 4.21Å; T36-F119 HydrophobicContact CG2-CD1 4.15Å; T36-F119 HydrophobicContact CG2-CG 4.04Å; N55-F119 HydrophobicContact CB-CD2 3.93Å; N55-F119 HydrophobicContact CB-CE2 3.76Å; A56-F119 PolarHBondContact O-N 2.82Å; V57-F119 CarbonylContact C-O 3.57Å; V57-F119 WeakPolarHBondContact CA-O 3.23Å; V57-F119 HydrophobicContact CG1-CB 4.28Å; V58-F119 PolarHBondContact N-O 3.1Å; E117-F119 HydrophobicContact CB-CD2 4.44Å; E117-F119 HydrophobicContact CB-CE2 3.65Å; E117-F119 HydrophobicContact CB-CZ 4.08Å; F119-I121 HydrophobicContact CB-CG2 4.11Å; F119-Y141 HydrophobicContact CE1-CD2 4.32Å; F119-Y141 HydrophobicContact CE1-CE2 4.01Å |
| 120 | I | 98.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 112.7 | 168.8 | -48.4 | -53.9 | 0 | 0 | 0 | 107.5 | N4 V5 V6 V58 F99 V118 L126 Y127 A130 | N4-I120 PolarHBondContact O-N 3.06Å; V5-I120 WeakPolarHBondContact CA-O 3.18Å; V5-I120 HydrophobicContact CG2-CB 4.35Å; V6-I120 PolarHBondContact N-O 2.72Å; V58-I120 HydrophobicContact CB-CD1 3.76Å; V58-I120 HydrophobicContact CG1-CD1 4.29Å; V58-I120 HydrophobicContact CG2-CD1 4.05Å; F99-I120 HydrophobicContact CD2-CD1 4.47Å; F99-I120 HydrophobicContact CE2-CD1 3.85Å; F99-I120 HydrophobicContact CE2-CG1 4.3Å; V118-I120 HydrophobicContact CG1-CD1 4.36Å; I120-L126 HydrophobicContact CG2-CB 3.68Å; I120-Y127 HydrophobicContact CG2-CD1 4.1Å; I120-Y127 HydrophobicContact CG2-CE1 4.45Å; I120-A130 HydrophobicContact CG1-CB 4Å; I120-A130 HydrophobicContact CG2-CB 4.45Å |
| 121 | I | 98.5 | Very high | 95.8 | Very high | 13 Ų | 13 | 39.5 Ų | 39.5 | 7% | 0.067 | 20% | 0.198 | C | C | . | . | trans | -108.4 | 17.2 | -173 | 69.3 | 164.2 | 0 | 0 | 0 | 112.8 | V6 F32 T36 V57 V58 M59 L74 F119 Y127 | V6-I121 HydrophobicContact CB-CG2 4.45Å; F32-I121 HydrophobicContact CE2-CB 3.96Å; F32-I121 HydrophobicContact CE2-CD1 4.37Å; F32-I121 HydrophobicContact CE2-CG2 3.67Å; F32-I121 HydrophobicContact CZ-CB 4.29Å; F32-I121 HydrophobicContact CZ-CD1 3.86Å; F32-I121 HydrophobicContact CZ-CG2 3.99Å; T36-I121 HydrophobicContact CG2-CG2 4.39Å; V57-I121 HydrophobicContact CB-CD1 4.18Å; V57-I121 HydrophobicContact CB-CG2 4.33Å; V57-I121 HydrophobicContact CG1-CG2 4.21Å; V58-I121 PolarHBondContact O-N 2.79Å; M59-I121 HydrophobicContact CB-CD1 3.99Å; M59-I121 HydrophobicContact CB-CG1 3.6Å; M59-I121 HydrophobicContact CE-CD1 3.77Å; M59-I121 HydrophobicContact SD-CD1 3.95Å; L74-I121 HydrophobicContact CD1-CD1 3.93Å; F119-I121 HydrophobicContact CB-CG2 4.11Å; I121-Y127 PolarHBondContact O-OH 3.35Å | ||
| 122 | G | 96.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | trans | 103.1 | 179.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | M59 G60 Y127 | M59-G122 CarbonylContact C-O 3.59Å; M59-G122 WeakPolarHBondContact CA-O 3.46Å; G60-G122 PolarHBondContact N-O 2.88Å; G122-Y127 VanDerWaalsContact CA-CE1 3.41Å; G122-Y127 WeakPolarHBondContact CA-OH 3.18Å; G122-Y127 VanDerWaalsContact N-CZ 3.3Å; G122-Y127 PolarHBondContact N-OH 2.93Å | ||
| 123 | G | 95.5 | Very high | 95.9 | Very high | 22 Ų | 22 | 44.9 Ų | 44.9 | 23% | 0.227 | 21% | 0.214 | C | C | . | . | cis | -86.3 | -160.6 | 1.7 | 0 | 0 | 0 | 0 | 0 | 114 | T63 R125 L126 Y127 | T63-G123 PolarHBondContact OG1-N 3.08Å; T63-G123 VanDerWaalsContact OG1-N 3.09Å; G123-R125 VanDerWaalsContact C-N 3.28Å; G123-R125 PolarHBondContact O-N 3.4Å; G123-R125 VanDerWaalsContact O-N 3.09Å; G123-L126 PolarHBondContact O-N 2.82Å; G123-Y127 PolarHBondContact O-N 3.42Å; G123-Y127 VanDerWaalsContact O-N 3.11Å | ||
| 124 | Y | 96.1 | Very high | 96 | Very high | 95 Ų | 95 | 46.3 Ų | 46.3 | 37% | 0.373 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -43.6 | -46.3 | -175.3 | 165.3 | -106.4 | 0 | 0 | 0 | 114.7 | L126 Y127 K128 Y154 P156 | Y124-L126 PolarHBondContact O-N 3.38Å; Y124-Y127 PolarHBondContact O-N 2.94Å; Y124-K128 HydrophobicContact CE1-CD 4.33Å; Y124-K128 HydrophobicContact CE2-CD 4.45Å; Y124-K128 WeakPolarHBondContact O-CB 3.39Å; Y124-K128 PolarHBondContact O-N 3.32Å; Y124-Y154 VanDerWaalsContact CD2-O 3.25Å; Y124-Y154 WeakPolarHBondContact CD2-O 3.15Å; Y124-P156 HydrophobicContact CD2-CG 3.94Å; Y124-P156 HydrophobicContact CE2-CB 4.44Å; Y124-P156 HydrophobicContact CE2-CG 3.95Å |
| 125 | R | 96.6 | Very high | 96.1 | Very high | 182 Ų | 182 | 50.2 Ų | 50.2 | 69% | 0.687 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -59.6 | -45.3 | -179 | -73.4 | -178.3 | 61.2 | -175.3 | -2.7 | 112.3 | G123 K128 E129 | G123-R125 VanDerWaalsContact C-N 3.28Å; G123-R125 PolarHBondContact O-N 3.4Å; G123-R125 VanDerWaalsContact O-N 3.09Å; R125-K128 PolarHBondContact O-N 2.94Å; R125-E129 WeakPolarHBondContact O-CB 3.22Å; R125-E129 WeakPolarHBondContact O-CG 3.36Å; R125-E129 PolarHBondContact O-N 3.33Å |
| 126 | L | 98.2 | Very high | 96.2 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -71.2 | -38.4 | 179.1 | -65.4 | -173.2 | 0 | 0 | 0 | 111.8 | V58 V82 F99 I120 G123 Y124 K128 E129 A130 | V58-L126 HydrophobicContact CG1-CD1 4.09Å; V82-L126 HydrophobicContact CB-CD1 4.18Å; V82-L126 HydrophobicContact CB-CD2 4.03Å; V82-L126 HydrophobicContact CG1-CD2 4.11Å; V82-L126 HydrophobicContact CG2-CD1 3.95Å; V82-L126 HydrophobicContact CG2-CD2 3.91Å; F99-L126 HydrophobicContact CB-CD2 4.02Å; F99-L126 HydrophobicContact CD2-CD2 4.2Å; I120-L126 HydrophobicContact CG2-CB 3.68Å; G123-L126 PolarHBondContact O-N 2.82Å; Y124-L126 PolarHBondContact O-N 3.38Å; L126-K128 VanDerWaalsContact C-N 3.3Å; L126-K128 PolarHBondContact O-N 3.08Å; L126-E129 PolarHBondContact O-N 3.14Å; L126-A130 WeakPolarHBondContact O-CB 3.5Å; L126-A130 PolarHBondContact O-N 2.93Å |
| 127 | Y | 97.8 | Very high | 96.2 | Very high | 15 Ų | 15 | 53.1 Ų | 53.1 | 6% | 0.059 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.7 | -45 | 171.6 | -64 | -39.1 | 0 | 0 | 0 | 111.4 | V5 V6 V7 I15 I120 I121 G122 G123 Y124 A130 L131 F155 | V5-Y127 HydrophobicContact CG1-CD1 3.51Å; V5-Y127 HydrophobicContact CG1-CE1 3.6Å; V5-Y127 HydrophobicContact CG1-CG 4.48Å; V6-Y127 PolarHBondContact O-OH 3.36Å; V7-Y127 HydrophobicContact CB-CE1 4.4Å; V7-Y127 HydrophobicContact CB-CE2 4.42Å; V7-Y127 HydrophobicContact CG2-CE2 3.89Å; I15-Y127 HydrophobicContact CD1-CD2 3.95Å; I15-Y127 HydrophobicContact CD1-CE2 3.83Å; I120-Y127 HydrophobicContact CG2-CD1 4.1Å; I120-Y127 HydrophobicContact CG2-CE1 4.45Å; I121-Y127 PolarHBondContact O-OH 3.35Å; G122-Y127 VanDerWaalsContact CA-CE1 3.41Å; G122-Y127 WeakPolarHBondContact CA-OH 3.18Å; G122-Y127 VanDerWaalsContact N-CZ 3.3Å; G122-Y127 PolarHBondContact N-OH 2.93Å; G123-Y127 PolarHBondContact O-N 3.42Å; G123-Y127 VanDerWaalsContact O-N 3.11Å; Y124-Y127 PolarHBondContact O-N 2.94Å; Y127-A130 PolarHBondContact O-N 3.28Å; Y127-L131 WeakPolarHBondContact O-CB 3.32Å; Y127-L131 VanDerWaalsContact O-CG 3.29Å; Y127-L131 WeakPolarHBondContact O-CG 3.11Å; Y127-L131 PolarHBondContact O-N 3.07Å; Y127-F155 AromaticContact CD1-CE2 3.93Å; Y127-F155 HydrophobicContact CD1-CE2 3.93Å; Y127-F155 AromaticContact CD2-CD2 3.66Å; Y127-F155 HydrophobicContact CD2-CD2 3.66Å; Y127-F155 AromaticContact CD2-CE2 3.59Å; Y127-F155 HydrophobicContact CD2-CE2 3.59Å; Y127-F155 HydrophobicContact CE1-CE2 4.36Å; Y127-F155 HydrophobicContact CE2-CD2 4.1Å; Y127-F155 HydrophobicContact CE2-CE2 4.06Å; Y127-F155 HydrophobicContact CG-CD2 4.05Å; Y127-F155 AromaticContact CG-CE2 3.52Å; Y127-F155 HydrophobicContact CG-CE2 3.52Å; Y127-F155 HydrophobicContact CG-CZ 4.48Å |
| 128 | K | 96.8 | Very high | 96.3 | Very high | 99 Ų | 99 | 51.3 Ų | 51.3 | 43% | 0.43 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63 | -44.3 | 179.2 | -175.8 | 177.6 | -176.9 | 173 | 0 | 111.8 | Y124 R125 L126 K132 P156 | Y124-K128 HydrophobicContact CE1-CD 4.33Å; Y124-K128 HydrophobicContact CE2-CD 4.45Å; Y124-K128 WeakPolarHBondContact O-CB 3.39Å; Y124-K128 PolarHBondContact O-N 3.32Å; R125-K128 PolarHBondContact O-N 2.94Å; L126-K128 VanDerWaalsContact C-N 3.3Å; L126-K128 PolarHBondContact O-N 3.08Å; K128-K132 WeakPolarHBondContact O-CB 3.32Å; K128-K132 PolarHBondContact O-N 3.41Å; K128-P156 HydrophobicContact CB-CB 4.49Å; K128-P156 HydrophobicContact CB-CG 3.89Å |
| 129 | E | 96.9 | Very high | 96.3 | Very high | 69 Ų | 69 | 52.6 Ų | 52.6 | 32% | 0.322 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.2 | -43.9 | 178.9 | -73.3 | 170.1 | -159.7 | 0 | 0 | 111.5 | F99 R125 L126 L131 K132 Q133 | F99-E129 HydrophobicContact CB-CB 4.34Å; F99-E129 WeakPolarHBondContact CB-OE2 3.25Å; F99-E129 HydrophobicContact CD1-CB 4.45Å; F99-E129 HydrophobicContact CD2-CB 4.4Å; F99-E129 HydrophobicContact CG-CB 4.16Å; R125-E129 WeakPolarHBondContact O-CB 3.22Å; R125-E129 WeakPolarHBondContact O-CG 3.36Å; R125-E129 PolarHBondContact O-N 3.33Å; L126-E129 PolarHBondContact O-N 3.14Å; E129-L131 VanDerWaalsContact C-N 3.33Å; E129-L131 PolarHBondContact O-N 2.87Å; E129-K132 PolarHBondContact O-N 2.72Å; E129-Q133 WeakPolarHBondContact O-CG 3.15Å; E129-Q133 PolarHBondContact O-N 2.76Å; E129-Q133 VanDerWaalsContact O-N 3.12Å |
| 130 | A | 96.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.1 | -36.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L3 V5 F99 I120 L126 Y127 Q133 V138 | L3-A130 HydrophobicContact CD1-CB 4.34Å; V5-A130 HydrophobicContact CG2-CB 4.22Å; F99-A130 HydrophobicContact CE2-CB 3.97Å; F99-A130 HydrophobicContact CZ-CB 4.29Å; I120-A130 HydrophobicContact CG1-CB 4Å; I120-A130 HydrophobicContact CG2-CB 4.45Å; L126-A130 WeakPolarHBondContact O-CB 3.5Å; L126-A130 PolarHBondContact O-N 2.93Å; Y127-A130 PolarHBondContact O-N 3.28Å; A130-Q133 WeakPolarHBondContact O-CG 3.28Å; A130-Q133 PolarHBondContact O-NE2 3.23Å; A130-V138 VanDerWaalsContact O-CG2 3.31Å; A130-V138 WeakPolarHBondContact O-CG2 3.32Å |
| 131 | L | 94.9 | Very high | 96.2 | Very high | 9 Ų | 9 | 53.3 Ų | 53.3 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -76.3 | -41.5 | 175 | -70.5 | 167.4 | 0 | 0 | 0 | 111.5 | Y127 E129 Q133 V138 I140 F155 P156 V158 V190 F195 | Y127-L131 WeakPolarHBondContact O-CB 3.32Å; Y127-L131 VanDerWaalsContact O-CG 3.29Å; Y127-L131 WeakPolarHBondContact O-CG 3.11Å; Y127-L131 PolarHBondContact O-N 3.07Å; E129-L131 VanDerWaalsContact C-N 3.33Å; E129-L131 PolarHBondContact O-N 2.87Å; L131-Q133 PolarHBondContact O-N 2.96Å; L131-V138 HydrophobicContact CD2-CG1 4.05Å; L131-I140 HydrophobicContact CD2-CD1 4.09Å; L131-F155 HydrophobicContact CD1-CE1 3.82Å; L131-F155 HydrophobicContact CD1-CZ 3.87Å; L131-P156 HydrophobicContact CD1-CB 3.96Å; L131-P156 HydrophobicContact CD1-CG 4.11Å; L131-V158 HydrophobicContact CD1-CG2 3.66Å; L131-V158 HydrophobicContact CD2-CG2 4.27Å; L131-V190 HydrophobicContact CD2-CG2 4.23Å; L131-F195 WeakPolarHBondContact O-CE1 3.2Å; L131-F195 VanDerWaalsContact O-CE2 3.23Å; L131-F195 WeakPolarHBondContact O-CE2 3.38Å; L131-F195 WeakPolarHBondContact O-CZ 3.4Å |
| 132 | K | 93.9 | Very high | 96.2 | Very high | 157 Ų | 157 | 52.7 Ų | 52.7 | 68% | 0.683 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -70.5 | -29 | -174.9 | -176.8 | 178.2 | 177.4 | -173.1 | 0 | 113.9 | K128 E129 | K128-K132 WeakPolarHBondContact O-CB 3.32Å; K128-K132 PolarHBondContact O-N 3.41Å; E129-K132 PolarHBondContact O-N 2.72Å |
| 133 | Q | 93.5 | Very high | 96.2 | Very high | 30 Ų | 30 | 52.7 Ų | 52.7 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | trans | -66.9 | 149.6 | -179.5 | 64.8 | 74 | 42 | 0 | 0 | 111.5 | L3 E129 A130 L131 Y136 | L3-Q133 HydrophobicContact CD1-CG 4.11Å; E129-Q133 WeakPolarHBondContact O-CG 3.15Å; E129-Q133 PolarHBondContact O-N 2.76Å; E129-Q133 VanDerWaalsContact O-N 3.12Å; A130-Q133 WeakPolarHBondContact O-CG 3.28Å; A130-Q133 PolarHBondContact O-NE2 3.23Å; L131-Q133 PolarHBondContact O-N 2.96Å; Q133-Y136 PolarHBondContact NE2-O 3.49Å | ||
| 134 | S | 91.8 | Very high | 96.3 | Very high | 104 Ų | 104 | 52.9 Ų | 52.9 | 73% | 0.727 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -112.9 | 6.3 | -177.2 | 55 | 0 | 0 | 0 | 0 | 114 | ||
| 135 | I | 94.2 | Very high | 96.3 | Very high | 129 Ų | 129 | 48.4 Ų | 48.4 | 66% | 0.662 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -85.2 | -43.8 | -173 | -59 | 175.3 | 0 | 0 | 0 | 110.9 | ||
| 136 | Y | 95.3 | Very high | 96.2 | Very high | 59 Ų | 59 | 42.7 Ų | 42.7 | 23% | 0.231 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -112.4 | 137.6 | -173.5 | -54.9 | -68.9 | 0 | 0 | 0 | 110.6 | M1 L3 I103 Q133 | M1-Y136 HydrophobicContact CB-CD1 4.29Å; M1-Y136 HydrophobicContact CB-CE1 4.4Å; M1-Y136 HydrophobicContact CE-CD1 3.58Å; M1-Y136 HydrophobicContact CE-CD2 3.82Å; M1-Y136 HydrophobicContact CE-CE1 3.36Å; M1-Y136 HydrophobicContact CE-CE2 3.61Å; M1-Y136 HydrophobicContact CE-CG 3.8Å; L3-Y136 HydrophobicContact CD1-CD2 4.09Å; L3-Y136 HydrophobicContact CD1-CG 4.45Å; L3-Y136 HydrophobicContact CG-CD2 4.31Å; L3-Y136 HydrophobicContact CG-CG 4.31Å; I103-Y136 HydrophobicContact CG2-CE2 4.19Å; Q133-Y136 PolarHBondContact NE2-O 3.49Å |
| 137 | P | 96.2 | Very high | 95.7 | Very high | 75 Ų | 75 | 43.6 Ų | 43.6 | 49% | 0.487 | 22% | 0.221 | S | C | . | . | trans | -62.7 | 148.6 | 168.4 | 28 | -33.6 | 0 | 0 | 0 | 110.1 | R2 L3 | R2-P137 HydrophobicContact CB-CG 4.26Å; R2-P137 HydrophobicContact CG-CG 4.23Å; R2-P137 WeakPolarHBondContact CG-O 3.42Å; L3-P137 PolarHBondContact N-O 2.89Å | ||
| 138 | V | 96.9 | Very high | 94.9 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 133.8 | -178.5 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | L3 V5 A130 L131 I140 V190 | L3-V138 HydrophobicContact CB-CG2 4.44Å; L3-V138 CarbonylContact O-C 3.59Å; L3-V138 VanDerWaalsContact O-CA 3.31Å; L3-V138 WeakPolarHBondContact O-CA 3.27Å; V5-V138 HydrophobicContact CG2-CG1 3.95Å; A130-V138 VanDerWaalsContact O-CG2 3.31Å; A130-V138 WeakPolarHBondContact O-CG2 3.32Å; L131-V138 HydrophobicContact CD2-CG1 4.05Å; V138-I140 HydrophobicContact CG1-CG1 4.29Å; V138-V190 HydrophobicContact CB-CB 4.07Å; V138-V190 HydrophobicContact CB-CG2 3.82Å; V138-V190 HydrophobicContact CG1-CG2 3.93Å; V138-V190 PolarHBondContact O-N 3.11Å |
| 139 | R | 97.6 | Very high | 94.5 | Very high | 29 Ų | 29 | 46.6 Ų | 46.6 | 11% | 0.109 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 134.6 | 166.8 | 171.6 | 167 | -69.7 | -172.3 | -2.7 | 109.5 | R2 L3 N4 V5 Y141 V187 Y188 D189 | R2-R139 HydrophobicContact CG-CB 4.34Å; L3-R139 PolarHBondContact O-N 2.96Å; N4-R139 CarbonylContact C-O 3.58Å; N4-R139 VanDerWaalsContact CA-O 3.31Å; N4-R139 WeakPolarHBondContact CA-O 3.34Å; V5-R139 PolarHBondContact N-O 2.71Å; R139-Y141 HydrophobicContact CG-CD2 4.08Å; R139-Y141 HydrophobicContact CG-CE2 3.7Å; R139-V187 HydrophobicContact CG-CG1 3.74Å; R139-Y188 CarbonylContact C-O 3.56Å; R139-Y188 VanDerWaalsContact CA-O 3.23Å; R139-Y188 WeakPolarHBondContact CA-O 3.45Å; R139-D189 WeakPolarHBondContact CB-OD1 3.49Å; R139-D189 IonicContact CZ-OD1 3.82Å; R139-D189 IonicContact CZ-OD2 2.72Å; R139-D189 IonicContact NE-OD1 3.92Å; R139-D189 PolarHBondContact NE-OD1 3.46Å; R139-D189 IonicContact NE-OD2 3.11Å; R139-D189 IonicContact NH2-OD1 2.85Å; R139-D189 PolarHBondContact NH2-OD1 2.89Å; R139-D189 VanDerWaalsContact NH2-OD1 3.11Å; R139-D189 IonicContact NH2-OD2 3.36Å; R139-D189 PolarHBondContact NH2-OD2 3.19Å |
| 140 | I | 98.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 115.7 | 177.1 | -50.5 | 176.4 | 0 | 0 | 0 | 108.6 | V5 V7 L131 V138 C142 W160 L163 V187 Y188 V190 | V5-I140 HydrophobicContact CB-CG1 4.35Å; V5-I140 HydrophobicContact CG1-CG2 4.38Å; V5-I140 CarbonylContact O-C 3.41Å; V5-I140 WeakPolarHBondContact O-CA 3.39Å; V7-I140 HydrophobicContact CG1-CG2 4Å; L131-I140 HydrophobicContact CD2-CD1 4.09Å; V138-I140 HydrophobicContact CG1-CG1 4.29Å; I140-C142 HydrophobicContact CG2-CB 4.08Å; I140-W160 HydrophobicContact CD1-CH2 4.43Å; I140-L163 HydrophobicContact CD1-CD1 4.26Å; I140-V187 CarbonylContact O-C 3.45Å; I140-V187 WeakPolarHBondContact O-CA 3.31Å; I140-Y188 PolarHBondContact N-O 2.92Å; I140-Y188 PolarHBondContact O-N 3.23Å; I140-V190 HydrophobicContact CD1-CG2 3.88Å; I140-V190 HydrophobicContact CG1-CG2 4.04Å |
| 141 | Y | 98.2 | Very high | 94.1 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 7% | 0.071 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 106.2 | 163.9 | -68 | -92.5 | 0 | 0 | 0 | 107.5 | N4 V5 V6 V7 F31 V35 F119 R139 L168 V187 | N4-Y141 HydrophobicContact CB-CD2 4.25Å; N4-Y141 HydrophobicContact CB-CE2 4.02Å; V5-Y141 PolarHBondContact O-N 3.3Å; V6-Y141 WeakPolarHBondContact CA-O 3.39Å; V6-Y141 HydrophobicContact CG2-CD2 4.47Å; V7-Y141 PolarHBondContact N-O 2.95Å; F31-Y141 HydrophobicContact CZ-CD1 4.08Å; V35-Y141 HydrophobicContact CG1-CD1 3.72Å; V35-Y141 HydrophobicContact CG1-CD2 3.93Å; V35-Y141 HydrophobicContact CG1-CE1 3.92Å; V35-Y141 HydrophobicContact CG1-CE2 4.09Å; V35-Y141 HydrophobicContact CG1-CG 3.74Å; V35-Y141 HydrophobicContact CG2-CD1 3.9Å; V35-Y141 HydrophobicContact CG2-CE1 4.2Å; F119-Y141 HydrophobicContact CE1-CD2 4.32Å; F119-Y141 HydrophobicContact CE1-CE2 4.01Å; R139-Y141 HydrophobicContact CG-CD2 4.08Å; R139-Y141 HydrophobicContact CG-CE2 3.7Å; Y141-L168 HydrophobicContact CE1-CD1 3.93Å; Y141-V187 HydrophobicContact CD1-CB 4.44Å; Y141-V187 HydrophobicContact CD1-CG1 4.07Å; Y141-V187 HydrophobicContact CD1-CG2 3.53Å; Y141-V187 HydrophobicContact CE1-CG1 3.92Å; Y141-V187 HydrophobicContact CE1-CG2 3.79Å; Y141-V187 HydrophobicContact CG-CG2 4.42Å |
| 142 | C | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 122.3 | -169.2 | -167.9 | 0 | 0 | 0 | 0 | 111 | V7 V9 I140 C186 Y188 | V7-C142 CarbonylContact O-C 3.54Å; V7-C142 WeakPolarHBondContact O-CA 3.39Å; V9-C142 VanDerWaalsContact CG2-SG 3.52Å; I140-C142 HydrophobicContact CG2-CB 4.08Å; C142-C186 PolarHBondContact N-O 2.98Å; C142-C186 PolarHBondContact O-N 3.36Å; C142-Y188 HydrophobicContact CB-CD2 4.11Å; C142-Y188 HydrophobicContact CB-CE2 3.84Å |
| 143 | T | 97.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 106.8 | 163 | -54.4 | 0 | 0 | 0 | 0 | 108 | V7 A8 V9 D28 I145 F183 K184 F185 | V7-T143 PolarHBondContact O-N 3.37Å; A8-T143 CarbonylContact C-O 3.58Å; A8-T143 VanDerWaalsContact CA-O 3.29Å; A8-T143 WeakPolarHBondContact CA-O 3.42Å; V9-T143 PolarHBondContact N-O 3.4Å; D28-T143 HydrophobicContact CB-CG2 4.39Å; D28-T143 VanDerWaalsContact OD1-CB 3.23Å; D28-T143 WeakPolarHBondContact OD1-CB 3.38Å; D28-T143 WeakPolarHBondContact OD1-CG2 3.3Å; D28-T143 PolarHBondContact OD1-OG1 3.14Å; T143-I145 HydrophobicContact CG2-CG1 4.44Å; T143-F183 HydrophobicContact CG2-CB 4.14Å; T143-F183 HydrophobicContact CG2-CD2 4.04Å; T143-F183 HydrophobicContact CG2-CG 4.4Å; T143-K184 WeakPolarHBondContact CA-O 3.39Å; T143-F185 HydrophobicContact CG2-CD1 4.01Å; T143-F185 HydrophobicContact CG2-CE1 3.76Å; T143-F185 VanDerWaalsContact OG1-CD1 3.3Å; T143-F185 WeakPolarHBondContact OG1-CD1 3.35Å; T143-F185 WeakPolarHBondContact OG1-CE1 3.48Å |
| 144 | H | 96.7 | Very high | 94.1 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 13% | 0.125 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 118.7 | 173.6 | -69.3 | -86.1 | 0 | 0 | 0 | 109.2 | L146 F183 K184 Y188 | H144-L146 HydrophobicContact CB-CD2 4.4Å; H144-F183 CarbonylContact O-C 3.58Å; H144-F183 WeakPolarHBondContact O-CA 3.35Å; H144-F183 VanDerWaalsContact O-CB 3.22Å; H144-F183 WeakPolarHBondContact O-CB 3.3Å; H144-K184 HydrophobicContact CB-CG 4.01Å; H144-K184 PolarHBondContact N-O 2.95Å; H144-K184 PolarHBondContact O-N 2.78Å; H144-Y188 AromaticContact NE2-CE2 3.37Å; H144-Y188 WeakPolarHBondContact NE2-CE2 3.28Å; H144-Y188 AromaticContact NE2-CZ 3.52Å; H144-Y188 PolarHBondContact NE2-OH 3.24Å |
| 145 | I | 96.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 110.2 | 173.1 | -63.1 | 175.7 | 0 | 0 | 0 | 107.5 | A8 V9 S10 E11 W23 I25 T143 S147 V149 F181 F183 | A8-I145 HydrophobicContact CB-CD1 4.28Å; V9-I145 PolarHBondContact O-N 2.88Å; S10-I145 CarbonylContact C-O 3.51Å; S10-I145 WeakPolarHBondContact CA-O 2.94Å; E11-I145 PolarHBondContact N-O 3.14Å; W23-I145 HydrophobicContact CD2-CD1 3.09Å; W23-I145 HydrophobicContact CE3-CD1 3.48Å; W23-I145 VanDerWaalsContact CE3-CD1 3.48Å; W23-I145 HydrophobicContact CG-CD1 3.55Å; W23-I145 HydrophobicContact CH2-CD1 3.81Å; W23-I145 HydrophobicContact CZ2-CD1 3.45Å; W23-I145 VanDerWaalsContact CZ2-CD1 3.45Å; W23-I145 HydrophobicContact CZ3-CD1 3.8Å; I25-I145 HydrophobicContact CD1-CD1 3.81Å; I25-I145 HydrophobicContact CD1-CG1 4.17Å; T143-I145 HydrophobicContact CG2-CG1 4.44Å; I145-S147 PolarHBondContact O-N 3.1Å; I145-V149 HydrophobicContact CG2-CG2 4.4Å; I145-F181 HydrophobicContact CG2-CD1 3.9Å; I145-F183 HydrophobicContact CG1-CB 4.18Å |
| 146 | L | 94.7 | Very high | 94.4 | Very high | 61 Ų | 61 | 41.6 Ų | 41.6 | 32% | 0.319 | 21% | 0.211 | S | C | . | . | trans | -82.3 | 53.7 | -178 | -52.6 | -179.2 | 0 | 0 | 0 | 109.8 | H144 T175 T182 | H144-L146 HydrophobicContact CB-CD2 4.4Å; L146-T175 HydrophobicContact CD1-CG2 4.26Å; L146-T182 HydrophobicContact CB-CG2 4.34Å; L146-T182 WeakPolarHBondContact CB-O 3.27Å; L146-T182 HydrophobicContact CD1-CG2 4.05Å; L146-T182 PolarHBondContact N-O 2.78Å | ||
| 147 | S | 87.7 | Confident | 94.1 | Very high | 27 Ų | 27 | 49.1 Ų | 49.1 | 19% | 0.189 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -151.4 | 139.6 | 178.4 | -56.2 | 0 | 0 | 0 | 0 | 108.6 | I145 V149 | I145-S147 PolarHBondContact O-N 3.1Å; S147-V149 PolarHBondContact O-N 3.24Å |
| 148 | E | 82.2 | Confident | 93.6 | Very high | 152 Ų | 152 | 46.6 Ų | 46.6 | 71% | 0.71 | 23% | 0.228 | S | C | * | . | trans | -69.7 | 120.7 | 167.3 | -67.4 | -166.6 | 155.9 | 0 | 0 | 109 | ||||
| 149 | V | 86.7 | Confident | 93.3 | Very high | 25 Ų | 25 | 49.1 Ų | 49.1 | 15% | 0.152 | 24% | 0.241 | C | C | . | . | trans | -128.3 | 126.9 | 179.2 | -171.6 | 0 | 0 | 0 | 0 | 107.7 | P22 W23 I145 S147 C151 F181 | P22-V149 HydrophobicContact CB-CG1 3.63Å; P22-V149 HydrophobicContact CG-CG1 3.8Å; W23-V149 HydrophobicContact CE3-CB 4.3Å; W23-V149 HydrophobicContact CE3-CG1 4.08Å; W23-V149 HydrophobicContact CE3-CG2 4.1Å; W23-V149 HydrophobicContact CZ3-CB 4.22Å; W23-V149 HydrophobicContact CZ3-CG1 4.28Å; W23-V149 HydrophobicContact CZ3-CG2 4.31Å; I145-V149 HydrophobicContact CG2-CG2 4.4Å; S147-V149 PolarHBondContact O-N 3.24Å; V149-C151 PolarHBondContact O-N 3.15Å; V149-C151 VanDerWaalsContact O-N 3.14Å; V149-C151 PolarHBondContact O-SG 3.29Å; V149-C151 VanDerWaalsContact O-SG 3.33Å; V149-F181 HydrophobicContact CG2-CD1 4.38Å; V149-F181 HydrophobicContact CG2-CE1 3.83Å | ||
| 150 | D | 91.2 | Very high | 92.9 | Very high | 108 Ų | 108 | 49.7 Ų | 49.7 | 58% | 0.578 | 24% | 0.244 | S | C | * | . | trans | -61.1 | 115.2 | 175.5 | -178.1 | 27.2 | 0 | 0 | 0 | 110 | K17 | K17-D150 WeakPolarHBondContact CD-O 3.1Å; K17-D150 WeakPolarHBondContact CE-OD2 3.27Å; K17-D150 IonicContact NZ-OD2 2.79Å; K17-D150 PolarHBondContact NZ-OD2 3.34Å | ||
| 151 | C | 94.2 | Very high | 92.6 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.034 | 28% | 0.284 | C | S | . | . | trans | -129 | 141.5 | -177.3 | -67.1 | 0 | 0 | 0 | 0 | 109.7 | G16 V149 Y154 | G16-C151 WeakPolarHBondContact O-CA 3.48Å; G16-C151 WeakPolarHBondContact O-CB 3.39Å; V149-C151 PolarHBondContact O-N 3.15Å; V149-C151 VanDerWaalsContact O-N 3.14Å; V149-C151 PolarHBondContact O-SG 3.29Å; V149-C151 VanDerWaalsContact O-SG 3.33Å; C151-Y154 WeakPolarHBondContact O-CE2 3.1Å; C151-Y154 VanDerWaalsContact O-CZ 3.28Å; C151-Y154 PolarHBondContact O-OH 3.02Å | ||
| 152 | D | 94.7 | Very high | 92.3 | Very high | 96 Ų | 96 | 62.6 Ų | 62.6 | 51% | 0.513 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -98.8 | -12.4 | 172.7 | 57.4 | 28.5 | 0 | 0 | 0 | 112.5 | G16 G18 | G16-D152 PolarHBondContact O-N 3Å; G16-D152 VanDerWaalsContact O-OD1 3.13Å; G18-D152 PolarHBondContact N-OD2 3.41Å |
| 153 | T | 93.8 | Very high | 92.2 | Very high | 49 Ų | 49 | 63.4 Ų | 63.4 | 30% | 0.301 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 132.4 | -178.4 | -52.9 | 0 | 0 | 0 | 0 | 109.4 | I15 G16 | I15-T153 HydrophobicContact CD1-CG2 3.82Å; I15-T153 HydrophobicContact CG1-CG2 3.75Å; I15-T153 WeakPolarHBondContact CG1-O 3.33Å; I15-T153 PolarHBondContact N-O 3Å; G16-T153 PolarHBondContact N-O 2.81Å; G16-T153 PolarHBondContact O-N 2.85Å |
| 154 | Y | 95.2 | Very high | 92.1 | Very high | 112 Ų | 112 | 70.4 Ų | 70.4 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 146 | -174.2 | -63.7 | -95.1 | 0 | 0 | 0 | 110.9 | N12 W13 Y124 C151 | N12-Y154 VanDerWaalsContact O-CD1 3.26Å; N12-Y154 WeakPolarHBondContact O-CD1 3.34Å; N12-Y154 WeakPolarHBondContact O-CE1 3.32Å; W13-Y154 CarbonylContact O-C 3.43Å; W13-Y154 WeakPolarHBondContact O-CA 3.46Å; Y124-Y154 VanDerWaalsContact CD2-O 3.25Å; Y124-Y154 WeakPolarHBondContact CD2-O 3.15Å; C151-Y154 WeakPolarHBondContact O-CE2 3.1Å; C151-Y154 VanDerWaalsContact O-CZ 3.28Å; C151-Y154 PolarHBondContact O-OH 3.02Å |
| 155 | F | 96.3 | Very high | 92.1 | Very high | 10 Ų | 10 | 75.9 Ų | 75.9 | 4% | 0.044 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 146.4 | 173 | -161.4 | -110.7 | 0 | 0 | 0 | 110.1 | V5 V7 V9 W13 I15 Y127 L131 V158 W160 | V5-F155 HydrophobicContact CG1-CE2 4.04Å; V5-F155 HydrophobicContact CG1-CZ 3.94Å; V7-F155 HydrophobicContact CB-CD2 4.31Å; V7-F155 HydrophobicContact CB-CE2 3.95Å; V7-F155 HydrophobicContact CG1-CD2 4.26Å; V7-F155 HydrophobicContact CG1-CE2 3.78Å; V7-F155 HydrophobicContact CG1-CZ 4.05Å; V7-F155 HydrophobicContact CG2-CD2 3.68Å; V7-F155 HydrophobicContact CG2-CE2 3.83Å; V9-F155 HydrophobicContact CG1-CB 4.07Å; V9-F155 HydrophobicContact CG1-CG 4.2Å; W13-F155 HydrophobicContact CB-CB 4.47Å; W13-F155 PolarHBondContact O-N 2.87Å; I15-F155 HydrophobicContact CG2-CB 3.73Å; I15-F155 HydrophobicContact CG2-CD2 4.14Å; I15-F155 HydrophobicContact CG2-CG 4.38Å; Y127-F155 AromaticContact CD1-CE2 3.93Å; Y127-F155 HydrophobicContact CD1-CE2 3.93Å; Y127-F155 AromaticContact CD2-CD2 3.66Å; Y127-F155 HydrophobicContact CD2-CD2 3.66Å; Y127-F155 AromaticContact CD2-CE2 3.59Å; Y127-F155 HydrophobicContact CD2-CE2 3.59Å; Y127-F155 HydrophobicContact CE1-CE2 4.36Å; Y127-F155 HydrophobicContact CE2-CD2 4.1Å; Y127-F155 HydrophobicContact CE2-CE2 4.06Å; Y127-F155 HydrophobicContact CG-CD2 4.05Å; Y127-F155 AromaticContact CG-CE2 3.52Å; Y127-F155 HydrophobicContact CG-CE2 3.52Å; Y127-F155 HydrophobicContact CG-CZ 4.48Å; L131-F155 HydrophobicContact CD1-CE1 3.82Å; L131-F155 HydrophobicContact CD1-CZ 3.87Å; F155-V158 HydrophobicContact CD1-CG2 4.49Å; F155-V158 HydrophobicContact CE1-CG2 4.03Å; F155-W160 HydrophobicContact CD1-CH2 4.32Å; F155-W160 AromaticContact CD1-CZ2 3.85Å; F155-W160 HydrophobicContact CD1-CZ2 3.85Å; F155-W160 HydrophobicContact CE1-CH2 4.11Å; F155-W160 AromaticContact CE1-CZ2 3.94Å; F155-W160 HydrophobicContact CE1-CZ2 3.94Å |
| 156 | P | 94.7 | Very high | 92.1 | Very high | 13 Ų | 13 | 77 Ų | 77 | 8% | 0.084 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -54.7 | 149.6 | 174.6 | -23.8 | 34.2 | 0 | 0 | 0 | 111.7 | Y124 K128 L131 V158 | Y124-P156 HydrophobicContact CD2-CG 3.94Å; Y124-P156 HydrophobicContact CE2-CB 4.44Å; Y124-P156 HydrophobicContact CE2-CG 3.95Å; K128-P156 HydrophobicContact CB-CB 4.49Å; K128-P156 HydrophobicContact CB-CG 3.89Å; L131-P156 HydrophobicContact CD1-CB 3.96Å; L131-P156 HydrophobicContact CD1-CG 4.11Å; P156-V158 PolarHBondContact O-N 3.33Å |
| 157 | K | 88.6 | Confident | 92.1 | Very high | 216 Ų | 216 | 81 Ų | 81 | 94% | 0.939 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 126.1 | 175.6 | -65 | -172.5 | 177.7 | -171.6 | 0 | 109.7 | ||
| 158 | V | 86.7 | Confident | 92.3 | Very high | 22 Ų | 22 | 81.8 Ų | 81.8 | 13% | 0.133 | 40% | 0.396 | C | S | . | . | trans | -130.5 | 143.7 | 172.7 | 178.3 | 0 | 0 | 0 | 0 | 107.1 | L131 F155 P156 W160 L163 | L131-V158 HydrophobicContact CD1-CG2 3.66Å; L131-V158 HydrophobicContact CD2-CG2 4.27Å; F155-V158 HydrophobicContact CD1-CG2 4.49Å; F155-V158 HydrophobicContact CE1-CG2 4.03Å; P156-V158 PolarHBondContact O-N 3.33Å; V158-W160 HydrophobicContact CB-CD2 4.49Å; V158-W160 HydrophobicContact CB-CZ2 4.03Å; V158-W160 HydrophobicContact CG1-CD2 4.5Å; V158-W160 HydrophobicContact CG2-CZ2 4.4Å; V158-W160 PolarHBondContact O-N 2.77Å; V158-W160 PolarHBondContact O-NE1 3.4Å; V158-L163 HydrophobicContact CG1-CD1 3.89Å; V158-L163 HydrophobicContact CG1-CD2 3.86Å; V158-L163 HydrophobicContact CG1-CG 4.04Å | ||
| 159 | D | 89.9 | Confident | 92.6 | Very high | 59 Ų | 59 | 80.7 Ų | 80.7 | 32% | 0.316 | 40% | 0.402 | S | S | . | . | trans | -84.3 | 90.7 | 171.8 | -173 | -13.7 | 0 | 0 | 0 | 108.4 | D161 K162 Q194 | D159-D161 PolarHBondContact O-N 2.95Å; D159-K162 HydrophobicContact CB-CB 4.5Å; D159-K162 HydrophobicContact CB-CD 4.31Å; D159-K162 PolarHBondContact O-N 3.49Å; D159-K162 WeakPolarHBondContact OD2-CD 3.09Å; D159-K162 WeakPolarHBondContact OD2-CE 3.33Å; D159-K162 IonicContact OD2-NZ 4Å; D159-K162 PolarHBondContact OD2-NZ 2.91Å; D159-Q194 PolarHBondContact O-NE2 3.47Å | ||
| 160 | W | 89.6 | Confident | 92.6 | Very high | 42 Ų | 42 | 84.5 Ų | 84.5 | 16% | 0.159 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -65.1 | -27.3 | -172.8 | -63.4 | 88.1 | 0 | 0 | 0 | 113.1 | W13 I140 F155 V158 K162 L163 Y188 | W13-W160 HydrophobicContact CD2-CZ2 4.41Å; W13-W160 AromaticContact CD2-NE1 3.77Å; W13-W160 AromaticContact CE2-CD1 3.88Å; W13-W160 AromaticContact CE2-NE1 3.57Å; W13-W160 HydrophobicContact CE3-CD2 4.46Å; W13-W160 AromaticContact CE3-CE2 3.53Å; W13-W160 HydrophobicContact CE3-CH2 4.17Å; W13-W160 AromaticContact CE3-CZ2 3.38Å; W13-W160 HydrophobicContact CE3-CZ2 3.38Å; W13-W160 AromaticContact CE3-NE1 3.54Å; W13-W160 HydrophobicContact CH2-CB 4.37Å; W13-W160 AromaticContact CH2-CD1 3.19Å; W13-W160 AromaticContact CH2-CD2 3.09Å; W13-W160 HydrophobicContact CH2-CD2 3.09Å; W13-W160 AromaticContact CH2-CE2 2.98Å; W13-W160 AromaticContact CH2-CE3 3.75Å; W13-W160 HydrophobicContact CH2-CE3 3.75Å; W13-W160 AromaticContact CH2-CG 3.31Å; W13-W160 HydrophobicContact CH2-CG 3.31Å; W13-W160 HydrophobicContact CH2-CH2 4.17Å; W13-W160 AromaticContact CH2-CZ2 3.59Å; W13-W160 HydrophobicContact CH2-CZ2 3.59Å; W13-W160 HydrophobicContact CH2-CZ3 4.23Å; W13-W160 AromaticContact CH2-NE1 2.98Å; W13-W160 AromaticContact CZ2-CD1 3.13Å; W13-W160 AromaticContact CZ2-CD2 3.92Å; W13-W160 HydrophobicContact CZ2-CD2 3.92Å; W13-W160 AromaticContact CZ2-CE2 3.71Å; W13-W160 AromaticContact CZ2-CG 3.66Å; W13-W160 HydrophobicContact CZ2-CG 3.66Å; W13-W160 AromaticContact CZ2-NE1 3.15Å; W13-W160 AromaticContact CZ3-CD1 3.92Å; W13-W160 AromaticContact CZ3-CD2 3.44Å; W13-W160 HydrophobicContact CZ3-CD2 3.44Å; W13-W160 VanDerWaalsContact CZ3-CD2 3.44Å; W13-W160 AromaticContact CZ3-CE2 2.88Å; W13-W160 AromaticContact CZ3-CE3 3.89Å; W13-W160 HydrophobicContact CZ3-CE3 3.89Å; W13-W160 HydrophobicContact CZ3-CG 4.11Å; W13-W160 AromaticContact CZ3-CH2 3.44Å; W13-W160 HydrophobicContact CZ3-CH2 3.44Å; W13-W160 VanDerWaalsContact CZ3-CH2 3.44Å; W13-W160 AromaticContact CZ3-CZ2 2.91Å; W13-W160 HydrophobicContact CZ3-CZ2 2.91Å; W13-W160 AromaticContact CZ3-CZ3 3.9Å; W13-W160 HydrophobicContact CZ3-CZ3 3.9Å; W13-W160 AromaticContact CZ3-NE1 3.2Å; I140-W160 HydrophobicContact CD1-CH2 4.43Å; F155-W160 HydrophobicContact CD1-CH2 4.32Å; F155-W160 AromaticContact CD1-CZ2 3.85Å; F155-W160 HydrophobicContact CD1-CZ2 3.85Å; F155-W160 HydrophobicContact CE1-CH2 4.11Å; F155-W160 AromaticContact CE1-CZ2 3.94Å; F155-W160 HydrophobicContact CE1-CZ2 3.94Å; V158-W160 HydrophobicContact CB-CD2 4.49Å; V158-W160 HydrophobicContact CB-CZ2 4.03Å; V158-W160 HydrophobicContact CG1-CD2 4.5Å; V158-W160 HydrophobicContact CG2-CZ2 4.4Å; V158-W160 PolarHBondContact O-N 2.77Å; V158-W160 PolarHBondContact O-NE1 3.4Å; W160-K162 PolarHBondContact O-N 3.13Å; W160-L163 HydrophobicContact CD2-CD1 3.88Å; W160-L163 HydrophobicContact CE3-CD1 3.33Å; W160-L163 HydrophobicContact CG-CD1 4.49Å; W160-L163 HydrophobicContact CZ3-CD1 3.73Å; W160-L163 WeakPolarHBondContact O-CB 3.23Å; W160-L163 PolarHBondContact O-N 2.79Å; W160-L163 VanDerWaalsContact O-N 3.16Å; W160-Y188 HydrophobicContact CE3-CD2 4.49Å; W160-Y188 HydrophobicContact CE3-CE2 4.28Å; W160-Y188 HydrophobicContact CZ3-CD2 4.05Å; W160-Y188 AromaticContact CZ3-CE2 3.98Å; W160-Y188 HydrophobicContact CZ3-CE2 3.98Å |
| 161 | D | 91.1 | Very high | 92.6 | Very high | 160 Ų | 160 | 80.5 Ų | 80.5 | 86% | 0.856 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -69.4 | -24.1 | 179.3 | -63.4 | -36.4 | 0 | 0 | 0 | 112.2 | D159 | D159-D161 PolarHBondContact O-N 2.95Š|
| 162 | K | 92.8 | Very high | 92.4 | Very high | 129 Ų | 129 | 82.6 Ų | 82.6 | 56% | 0.561 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -90.7 | -8.2 | 175.8 | -73.4 | -178.7 | -174 | 140.8 | 0 | 113.4 | D159 W160 P191 Q194 | D159-K162 HydrophobicContact CB-CB 4.5Å; D159-K162 HydrophobicContact CB-CD 4.31Å; D159-K162 PolarHBondContact O-N 3.49Å; D159-K162 WeakPolarHBondContact OD2-CD 3.09Å; D159-K162 WeakPolarHBondContact OD2-CE 3.33Å; D159-K162 IonicContact OD2-NZ 4Å; D159-K162 PolarHBondContact OD2-NZ 2.91Å; W160-K162 PolarHBondContact O-N 3.13Å; K162-P191 WeakPolarHBondContact O-CG 3.47Å; K162-Q194 HydrophobicContact CD-CG 4.34Å |
| 163 | L | 95.1 | Very high | 92.3 | Very high | 16 Ų | 16 | 82 Ų | 82 | 8% | 0.084 | 42% | 0.422 | C | S | . | . | S | Bend | trans | -71.7 | 135.7 | 178.8 | -66.7 | -175 | 0 | 0 | 0 | 110.8 | I140 V158 W160 K165 Y188 V190 | I140-L163 HydrophobicContact CD1-CD1 4.26Å; V158-L163 HydrophobicContact CG1-CD1 3.89Å; V158-L163 HydrophobicContact CG1-CD2 3.86Å; V158-L163 HydrophobicContact CG1-CG 4.04Å; W160-L163 HydrophobicContact CD2-CD1 3.88Å; W160-L163 HydrophobicContact CE3-CD1 3.33Å; W160-L163 HydrophobicContact CG-CD1 4.49Å; W160-L163 HydrophobicContact CZ3-CD1 3.73Å; W160-L163 WeakPolarHBondContact O-CB 3.23Å; W160-L163 PolarHBondContact O-N 2.79Å; W160-L163 VanDerWaalsContact O-N 3.16Å; L163-K165 PolarHBondContact O-N 3.29Å; L163-Y188 HydrophobicContact CB-CD1 3.97Å; L163-Y188 HydrophobicContact CB-CG 4.23Å; L163-Y188 HydrophobicContact CD1-CD1 4.31Å; L163-Y188 HydrophobicContact CD1-CD2 4.35Å; L163-Y188 HydrophobicContact CD1-CG 3.94Å; L163-V190 HydrophobicContact CD2-CB 4.15Å; L163-V190 HydrophobicContact CD2-CG1 4.23Å; L163-V190 HydrophobicContact CD2-CG2 3.81Å |
| 164 | K | 96.7 | Very high | 92.3 | Very high | 149 Ų | 149 | 84.8 Ų | 84.8 | 65% | 0.648 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 108 | 175.3 | -175.5 | -179.8 | 178.6 | -178.2 | 0 | 109.2 | V166 Y188 D189 | K164-V166 PolarHBondContact O-N 3.08Å; K164-Y188 CarbonylContact O-C 3.53Å; K164-Y188 WeakPolarHBondContact O-CA 3.42Å; K164-D189 HydrophobicContact CB-CB 4.44Å; K164-D189 PolarHBondContact N-O 3.19Å; K164-D189 PolarHBondContact O-N 3.41Å |
| 165 | K | 96.5 | Very high | 92.4 | Very high | 141 Ų | 141 | 83.4 Ų | 83.4 | 61% | 0.613 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 133.9 | 172.5 | -166.7 | 174.6 | -178.4 | -176.8 | 0 | 110.3 | L163 V187 Y188 | L163-K165 PolarHBondContact O-N 3.29Å; K165-V187 WeakPolarHBondContact CA-O 3.35Å; K165-Y188 HydrophobicContact CB-CD1 4.24Å; K165-Y188 HydrophobicContact CB-CE1 4.26Å; K165-Y188 HydrophobicContact CG-CD1 4.44Å; K165-Y188 HydrophobicContact CG-CE1 4.2Å |
| 166 | V | 96.3 | Very high | 92.5 | Very high | 25 Ų | 25 | 85.2 Ų | 85.2 | 15% | 0.152 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 127.6 | 179.7 | -174.1 | 0 | 0 | 0 | 0 | 108.3 | K164 L168 V187 D189 | K164-V166 PolarHBondContact O-N 3.08Å; V166-L168 HydrophobicContact CG1-CD2 3.88Å; V166-L168 HydrophobicContact CG1-CG 3.97Å; V166-V187 HydrophobicContact CB-CB 4.17Å; V166-V187 HydrophobicContact CB-CG1 4.06Å; V166-V187 HydrophobicContact CG2-CG1 4.43Å; V166-V187 PolarHBondContact N-O 3.34Å; V166-D189 HydrophobicContact CG2-CB 4.22Å; V166-D189 VanDerWaalsContact CG2-OD2 3.32Å; V166-D189 WeakPolarHBondContact CG2-OD2 3.4Å |
| 167 | D | 94.4 | Very high | 92.6 | Very high | 145 Ų | 145 | 89.4 Ų | 89.4 | 78% | 0.775 | 47% | 0.472 | S | S | * | . | trans | -90.1 | 124.5 | 169.8 | -170.8 | 29.8 | 0 | 0 | 0 | 109.2 | ||||
| 168 | L | 92 | Very high | 93 | Very high | 43 Ų | 43 | 81.4 Ų | 81.4 | 23% | 0.225 | 44% | 0.438 | C | S | . | . | trans | -126.6 | 124.4 | -179.6 | -70.1 | -176.9 | 0 | 0 | 0 | 108.2 | Y141 V166 D170 I171 V187 | Y141-L168 HydrophobicContact CE1-CD1 3.93Å; V166-L168 HydrophobicContact CG1-CD2 3.88Å; V166-L168 HydrophobicContact CG1-CG 3.97Å; L168-D170 PolarHBondContact O-N 3.12Å; L168-I171 HydrophobicContact CB-CB 4.25Å; L168-I171 HydrophobicContact CB-CG1 3.76Å; L168-I171 HydrophobicContact CD1-CG1 4.14Å; L168-I171 PolarHBondContact O-N 3Å; L168-V187 HydrophobicContact CD1-CB 4.4Å; L168-V187 HydrophobicContact CD1-CG1 4.14Å; L168-V187 HydrophobicContact CD1-CG2 4.06Å | ||
| 169 | P | 88.6 | Confident | 93.3 | Very high | 129 Ų | 129 | 85.6 Ų | 85.6 | 84% | 0.838 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -30.7 | -173 | -27.4 | 33.6 | 0 | 0 | 0 | 115.1 | I171 | P169-I171 VanDerWaalsContact C-N 3.34Š|
| 170 | D | 86.5 | Confident | 93.5 | Very high | 105 Ų | 105 | 85.9 Ų | 85.9 | 56% | 0.561 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -5.2 | -177.7 | -62.2 | -24.7 | 0 | 0 | 0 | 113.3 | K38 L168 | K38-D170 IonicContact NZ-OD2 2.74Å; K38-D170 PolarHBondContact NZ-OD2 2.79Å; L168-D170 PolarHBondContact O-N 3.12Å |
| 171 | I | 90.4 | Very high | 93.7 | Very high | 25 Ų | 25 | 85.8 Ų | 85.8 | 13% | 0.128 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -103.4 | 113.4 | -179.1 | -54.9 | -45.8 | 0 | 0 | 0 | 108.7 | F31 V35 L168 P169 A173 F185 V187 | F31-I171 HydrophobicContact CD2-CD1 4.11Å; F31-I171 HydrophobicContact CE2-CD1 3.65Å; F31-I171 HydrophobicContact CE2-CG1 4.34Å; F31-I171 HydrophobicContact CE2-CG2 3.97Å; V35-I171 HydrophobicContact CG2-CD1 4.22Å; L168-I171 HydrophobicContact CB-CB 4.25Å; L168-I171 HydrophobicContact CB-CG1 3.76Å; L168-I171 HydrophobicContact CD1-CG1 4.14Å; L168-I171 PolarHBondContact O-N 3Å; P169-I171 VanDerWaalsContact C-N 3.34Å; I171-A173 PolarHBondContact O-N 3.46Å; I171-F185 HydrophobicContact CG2-CB 3.74Å; I171-V187 HydrophobicContact CG1-CG2 4.24Å; I171-V187 HydrophobicContact CG2-CG2 4.43Å |
| 172 | P | 91 | Very high | 94 | Very high | 48 Ų | 48 | 80.3 Ų | 80.3 | 31% | 0.312 | 45% | 0.449 | S | S | . | . | trans | -68.7 | 134.6 | -178.4 | 27.6 | -32.2 | 0 | 0 | 0 | 110.5 | D174 F176 F185 | P172-D174 VanDerWaalsContact C-N 3.34Å; P172-F176 HydrophobicContact CB-CE2 4.14Å; P172-F176 HydrophobicContact CB-CZ 3.75Å; P172-F176 HydrophobicContact CG-CE2 3.87Å; P172-F176 HydrophobicContact CG-CZ 3.69Å; P172-F185 HydrophobicContact CG-CD2 4Å; P172-F185 HydrophobicContact CG-CE2 4.44Å | ||
| 173 | A | 91 | Very high | 94.2 | Very high | 84 Ų | 84 | 74.2 Ų | 74.2 | 69% | 0.694 | 42% | 0.423 | S | S | * | . | trans | -85.2 | -7.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I171 | I171-A173 PolarHBondContact O-N 3.46Š| ||
| 174 | D | 95.3 | Very high | 94.3 | Very high | 108 Ų | 108 | 76.8 Ų | 76.8 | 58% | 0.578 | 43% | 0.433 | S | S | * | . | S | Bend | trans | -65.7 | 158.4 | -178.6 | -58.5 | -75.6 | 0 | 0 | 0 | 113.1 | P172 F176 | P172-D174 VanDerWaalsContact C-N 3.34Å; D174-F176 HydrophobicContact CB-CE1 4.42Å; D174-F176 HydrophobicContact CB-CE2 4.19Å; D174-F176 HydrophobicContact CB-CZ 3.96Å; D174-F176 WeakPolarHBondContact O-CD2 3.23Å; D174-F176 VanDerWaalsContact O-CE2 3.32Å; D174-F176 WeakPolarHBondContact O-CE2 3.42Å |
| 175 | T | 97.1 | Very high | 94.4 | Very high | 82 Ų | 82 | 70.1 Ų | 70.1 | 50% | 0.503 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 134.6 | 165.3 | -57.3 | 0 | 0 | 0 | 0 | 109 | L146 T182 | L146-T175 HydrophobicContact CD1-CG2 4.26Å; T175-T182 HydrophobicContact CG2-CG2 3.29Å |
| 176 | F | 97.7 | Very high | 94.4 | Very high | 48 Ų | 48 | 63.6 Ų | 63.6 | 21% | 0.211 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 155.9 | -179.3 | -59.8 | -82.8 | 0 | 0 | 0 | 110.7 | P172 D174 T182 F183 F185 | P172-F176 HydrophobicContact CB-CE2 4.14Å; P172-F176 HydrophobicContact CB-CZ 3.75Å; P172-F176 HydrophobicContact CG-CE2 3.87Å; P172-F176 HydrophobicContact CG-CZ 3.69Å; D174-F176 HydrophobicContact CB-CE1 4.42Å; D174-F176 HydrophobicContact CB-CE2 4.19Å; D174-F176 HydrophobicContact CB-CZ 3.96Å; D174-F176 WeakPolarHBondContact O-CD2 3.23Å; D174-F176 VanDerWaalsContact O-CE2 3.32Å; D174-F176 WeakPolarHBondContact O-CE2 3.42Å; F176-T182 CarbonylContact O-C 3.53Å; F176-T182 VanDerWaalsContact O-CA 3.29Å; F176-T182 WeakPolarHBondContact O-CA 2.88Å; F176-F183 HydrophobicContact CB-CD1 4.45Å; F176-F183 HydrophobicContact CB-CD2 4.12Å; F176-F183 HydrophobicContact CB-CE1 3.92Å; F176-F183 HydrophobicContact CB-CE2 3.56Å; F176-F183 HydrophobicContact CB-CZ 3.42Å; F176-F183 VanDerWaalsContact CB-CZ 3.42Å; F176-F183 HydrophobicContact CD2-CD2 4.48Å; F176-F183 HydrophobicContact CD2-CE2 4.12Å; F176-F183 HydrophobicContact CG-CE2 4.09Å; F176-F183 HydrophobicContact CG-CZ 4.3Å; F176-F183 PolarHBondContact N-O 2.76Å; F176-F183 PolarHBondContact O-N 3.38Å; F176-F185 HydrophobicContact CD2-CD2 4.28Å; F176-F185 AromaticContact CD2-CE2 3.97Å; F176-F185 HydrophobicContact CD2-CE2 3.97Å; F176-F185 AromaticContact CE2-CD2 3.9Å; F176-F185 HydrophobicContact CE2-CD2 3.9Å; F176-F185 AromaticContact CE2-CE2 3.85Å; F176-F185 HydrophobicContact CE2-CE2 3.85Å |
| 177 | T | 97 | Very high | 94.5 | Very high | 102 Ų | 102 | 62.6 Ų | 62.6 | 63% | 0.626 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 128.2 | 171 | -55.3 | 0 | 0 | 0 | 0 | 110 | F181 | T177-F181 CarbonylContact C-O 3.54Å; T177-F181 VanDerWaalsContact CA-O 3.25Å; T177-F181 WeakPolarHBondContact CA-O 2.74Å |
| 178 | E | 96.9 | Very high | 94.6 | Very high | 47 Ų | 47 | 57 Ų | 57 | 22% | 0.22 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 132.3 | 176.9 | -165.8 | -170 | 142 | 0 | 0 | 109.6 | I25 K26 K27 G180 F181 F183 | I25-E178 HydrophobicContact CG2-CB 4.31Å; K26-E178 WeakPolarHBondContact CB-OE1 3.37Å; K26-E178 PolarHBondContact N-OE1 3.17Å; K26-E178 PolarHBondContact N-OE2 3.47Å; K27-E178 PolarHBondContact N-OE2 2.86Å; E178-G180 PolarHBondContact O-N 3.04Å; E178-G180 VanDerWaalsContact O-N 3.1Å; E178-F181 PolarHBondContact N-O 2.82Å; E178-F181 PolarHBondContact O-N 3.21Å; E178-F183 HydrophobicContact CB-CE1 3.83Å; E178-F183 HydrophobicContact CB-CZ 4.27Å |
| 179 | N | 93.9 | Very high | 94.9 | Very high | 111 Ų | 111 | 56.9 Ų | 56.9 | 59% | 0.594 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 35.6 | 177.8 | -58.8 | -37.5 | 0 | 0 | 0 | 114.4 | K24 F181 | K24-N179 PolarHBondContact O-ND2 3.47Å; N179-F181 VanDerWaalsContact C-N 3.29Å; N179-F181 HydrophobicContact CB-CD2 4.44Å; N179-F181 WeakPolarHBondContact O-CD2 3.4Å; N179-F181 PolarHBondContact O-N 2.98Å |
| 180 | G | 93.2 | Very high | 95.2 | Very high | 65 Ų | 65 | 51.3 Ų | 51.3 | 67% | 0.67 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | -4.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E178 | E178-G180 PolarHBondContact O-N 3.04Å; E178-G180 VanDerWaalsContact O-N 3.1Å |
| 181 | F | 95.2 | Very high | 95.3 | Very high | 39 Ų | 39 | 48.5 Ų | 48.5 | 17% | 0.171 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 129 | 174.5 | -61.9 | -78.2 | 0 | 0 | 0 | 110.3 | W23 I25 I145 V149 T177 E178 N179 F183 | W23-F181 HydrophobicContact CB-CD1 4.12Å; W23-F181 HydrophobicContact CB-CD2 3.99Å; W23-F181 HydrophobicContact CB-CE1 3.77Å; W23-F181 HydrophobicContact CB-CE2 3.63Å; W23-F181 HydrophobicContact CB-CG 4.22Å; W23-F181 HydrophobicContact CB-CZ 3.51Å; I25-F181 HydrophobicContact CD1-CB 3.79Å; I25-F181 HydrophobicContact CD1-CD2 4.37Å; I25-F181 HydrophobicContact CD1-CG 4.07Å; I25-F181 HydrophobicContact CG1-CB 4.22Å; I25-F181 HydrophobicContact CG1-CD2 4.14Å; I25-F181 HydrophobicContact CG1-CG 4.34Å; I145-F181 HydrophobicContact CG2-CD1 3.9Å; V149-F181 HydrophobicContact CG2-CD1 4.38Å; V149-F181 HydrophobicContact CG2-CE1 3.83Å; T177-F181 CarbonylContact C-O 3.54Å; T177-F181 VanDerWaalsContact CA-O 3.25Å; T177-F181 WeakPolarHBondContact CA-O 2.74Å; E178-F181 PolarHBondContact N-O 2.82Å; E178-F181 PolarHBondContact O-N 3.21Å; N179-F181 VanDerWaalsContact C-N 3.29Å; N179-F181 HydrophobicContact CB-CD2 4.44Å; N179-F181 WeakPolarHBondContact O-CD2 3.4Å; N179-F181 PolarHBondContact O-N 2.98Å; F181-F183 HydrophobicContact CB-CD1 4.42Å |
| 182 | T | 96.8 | Very high | 94.7 | Very high | 45 Ų | 45 | 52.7 Ų | 52.7 | 28% | 0.276 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 131.1 | 167.1 | -58.7 | 0 | 0 | 0 | 0 | 108.4 | L146 T175 F176 | L146-T182 HydrophobicContact CB-CG2 4.34Å; L146-T182 WeakPolarHBondContact CB-O 3.27Å; L146-T182 HydrophobicContact CD1-CG2 4.05Å; L146-T182 PolarHBondContact N-O 2.78Å; T175-T182 HydrophobicContact CG2-CG2 3.29Å; F176-T182 CarbonylContact O-C 3.53Å; F176-T182 VanDerWaalsContact O-CA 3.29Å; F176-T182 WeakPolarHBondContact O-CA 2.88Å |
| 183 | F | 97.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 0% | 0.004 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 161 | -175.8 | 59.4 | -82.8 | 0 | 0 | 0 | 113 | I25 K27 T143 H144 I145 F176 E178 F181 F185 | I25-F183 HydrophobicContact CD1-CD1 3.98Å; I25-F183 HydrophobicContact CD1-CE1 4.39Å; I25-F183 HydrophobicContact CD1-CG 4.39Å; I25-F183 HydrophobicContact CG2-CD1 3.95Å; I25-F183 HydrophobicContact CG2-CD2 4.38Å; I25-F183 HydrophobicContact CG2-CE1 3.36Å; I25-F183 HydrophobicContact CG2-CE2 3.84Å; I25-F183 HydrophobicContact CG2-CG 4.44Å; I25-F183 HydrophobicContact CG2-CZ 3.31Å; K27-F183 HydrophobicContact CB-CE2 3.85Å; K27-F183 HydrophobicContact CB-CZ 3.65Å; K27-F183 HydrophobicContact CG-CE2 4.04Å; K27-F183 HydrophobicContact CG-CZ 4.16Å; T143-F183 HydrophobicContact CG2-CB 4.14Å; T143-F183 HydrophobicContact CG2-CD2 4.04Å; T143-F183 HydrophobicContact CG2-CG 4.4Å; H144-F183 CarbonylContact O-C 3.58Å; H144-F183 WeakPolarHBondContact O-CA 3.35Å; H144-F183 VanDerWaalsContact O-CB 3.22Å; H144-F183 WeakPolarHBondContact O-CB 3.3Å; I145-F183 HydrophobicContact CG1-CB 4.18Å; F176-F183 HydrophobicContact CB-CD1 4.45Å; F176-F183 HydrophobicContact CB-CD2 4.12Å; F176-F183 HydrophobicContact CB-CE1 3.92Å; F176-F183 HydrophobicContact CB-CE2 3.56Å; F176-F183 HydrophobicContact CB-CZ 3.42Å; F176-F183 VanDerWaalsContact CB-CZ 3.42Å; F176-F183 HydrophobicContact CD2-CD2 4.48Å; F176-F183 HydrophobicContact CD2-CE2 4.12Å; F176-F183 HydrophobicContact CG-CE2 4.09Å; F176-F183 HydrophobicContact CG-CZ 4.3Å; F176-F183 PolarHBondContact N-O 2.76Å; F176-F183 PolarHBondContact O-N 3.38Å; E178-F183 HydrophobicContact CB-CE1 3.83Å; E178-F183 HydrophobicContact CB-CZ 4.27Å; F181-F183 HydrophobicContact CB-CD1 4.42Å; F183-F185 HydrophobicContact CD2-CE1 4.32Å; F183-F185 HydrophobicContact CD2-CZ 4.06Å; F183-F185 HydrophobicContact CE2-CE1 4.42Å; F183-F185 HydrophobicContact CE2-CE2 4.2Å; F183-F185 AromaticContact CE2-CZ 3.75Å; F183-F185 HydrophobicContact CE2-CZ 3.75Å |
| 184 | K | 97.5 | Very high | 91.8 | Very high | 70 Ų | 70 | 56.6 Ų | 56.6 | 30% | 0.304 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 151.4 | 174.2 | 66.2 | -178.1 | -177.2 | -170.7 | 0 | 111 | T143 H144 | T143-K184 WeakPolarHBondContact CA-O 3.39Å; H144-K184 HydrophobicContact CB-CG 4.01Å; H144-K184 PolarHBondContact N-O 2.95Å; H144-K184 PolarHBondContact O-N 2.78Å |
| 185 | F | 97.8 | Very high | 89.6 | Confident | 9 Ų | 9 | 55.9 Ų | 55.9 | 4% | 0.039 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 135.4 | 173.8 | -54.3 | -64.2 | 0 | 0 | 0 | 110 | K27 D28 F31 T143 I171 P172 F176 F183 | K27-F185 HydrophobicContact CG-CE2 4.12Å; K27-F185 HydrophobicContact CG-CZ 4.1Å; D28-F185 HydrophobicContact CB-CE1 4.46Å; F31-F185 HydrophobicContact CB-CD1 3.94Å; F31-F185 HydrophobicContact CB-CE1 3.46Å; F31-F185 VanDerWaalsContact CB-CE1 3.46Å; F31-F185 HydrophobicContact CB-CE2 4.19Å; F31-F185 HydrophobicContact CB-CG 4.49Å; F31-F185 HydrophobicContact CB-CZ 3.6Å; F31-F185 AromaticContact CD1-CD1 3.49Å; F31-F185 HydrophobicContact CD1-CD1 3.49Å; F31-F185 VanDerWaalsContact CD1-CD1 3.49Å; F31-F185 AromaticContact CD1-CE1 3.64Å; F31-F185 HydrophobicContact CD1-CE1 3.64Å; F31-F185 HydrophobicContact CD1-CG 4.37Å; F31-F185 HydrophobicContact CD2-CB 4.23Å; F31-F185 AromaticContact CD2-CD1 3.77Å; F31-F185 HydrophobicContact CD2-CD1 3.77Å; F31-F185 HydrophobicContact CD2-CD2 4.31Å; F31-F185 HydrophobicContact CD2-CE1 4.21Å; F31-F185 AromaticContact CD2-CG 3.82Å; F31-F185 HydrophobicContact CD2-CG 3.82Å; F31-F185 AromaticContact CE1-CD1 3.84Å; F31-F185 HydrophobicContact CE1-CD1 3.84Å; F31-F185 HydrophobicContact CE1-CE1 4.41Å; F31-F185 HydrophobicContact CE2-CB 3.96Å; F31-F185 HydrophobicContact CE2-CD1 4.07Å; F31-F185 HydrophobicContact CE2-CG 4.05Å; F31-F185 AromaticContact CG-CD1 3.45Å; F31-F185 HydrophobicContact CG-CD1 3.45Å; F31-F185 VanDerWaalsContact CG-CD1 3.45Å; F31-F185 AromaticContact CG-CE1 3.51Å; F31-F185 HydrophobicContact CG-CE1 3.51Å; F31-F185 AromaticContact CG-CG 3.98Å; F31-F185 HydrophobicContact CG-CG 3.98Å; F31-F185 HydrophobicContact CG-CZ 4.08Å; F31-F185 HydrophobicContact CZ-CB 4.25Å; F31-F185 HydrophobicContact CZ-CD1 4.11Å; F31-F185 HydrophobicContact CZ-CG 4.42Å; T143-F185 HydrophobicContact CG2-CD1 4.01Å; T143-F185 HydrophobicContact CG2-CE1 3.76Å; T143-F185 VanDerWaalsContact OG1-CD1 3.3Å; T143-F185 WeakPolarHBondContact OG1-CD1 3.35Å; T143-F185 WeakPolarHBondContact OG1-CE1 3.48Å; I171-F185 HydrophobicContact CG2-CB 3.74Å; P172-F185 HydrophobicContact CG-CD2 4Å; P172-F185 HydrophobicContact CG-CE2 4.44Å; F176-F185 HydrophobicContact CD2-CD2 4.28Å; F176-F185 AromaticContact CD2-CE2 3.97Å; F176-F185 HydrophobicContact CD2-CE2 3.97Å; F176-F185 AromaticContact CE2-CD2 3.9Å; F176-F185 HydrophobicContact CE2-CD2 3.9Å; F176-F185 AromaticContact CE2-CE2 3.85Å; F176-F185 HydrophobicContact CE2-CE2 3.85Å; F183-F185 HydrophobicContact CD2-CE1 4.32Å; F183-F185 HydrophobicContact CD2-CZ 4.06Å; F183-F185 HydrophobicContact CE2-CE1 4.42Å; F183-F185 HydrophobicContact CE2-CE2 4.2Å; F183-F185 AromaticContact CE2-CZ 3.75Å; F183-F185 HydrophobicContact CE2-CZ 3.75Å |
| 186 | C | 96.9 | Very high | 86.6 | Confident | 5 Ų | 5 | 62.5 Ų | 62.5 | 3% | 0.034 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 148 | 175.2 | -71.6 | 0 | 0 | 0 | 0 | 109.4 | C142 Y188 | C142-C186 PolarHBondContact N-O 2.98Å; C142-C186 PolarHBondContact O-N 3.36Å; C186-Y188 HydrophobicContact CB-CD2 4.42Å; C186-Y188 HydrophobicContact CB-CE1 4.35Å; C186-Y188 HydrophobicContact CB-CE2 3.52Å; C186-Y188 VanDerWaalsContact CB-CZ 3.47Å; C186-Y188 VanDerWaalsContact CB-OH 3.27Å; C186-Y188 WeakPolarHBondContact CB-OH 3.44Å |
| 187 | V | 97.8 | Very high | 86.1 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.018 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 135.3 | 175.6 | -173.4 | 0 | 0 | 0 | 0 | 108.5 | R139 I140 Y141 K165 V166 L168 I171 | R139-V187 HydrophobicContact CG-CG1 3.74Å; I140-V187 CarbonylContact O-C 3.45Å; I140-V187 WeakPolarHBondContact O-CA 3.31Å; Y141-V187 HydrophobicContact CD1-CB 4.44Å; Y141-V187 HydrophobicContact CD1-CG1 4.07Å; Y141-V187 HydrophobicContact CD1-CG2 3.53Å; Y141-V187 HydrophobicContact CE1-CG1 3.92Å; Y141-V187 HydrophobicContact CE1-CG2 3.79Å; Y141-V187 HydrophobicContact CG-CG2 4.42Å; K165-V187 WeakPolarHBondContact CA-O 3.35Å; V166-V187 HydrophobicContact CB-CB 4.17Å; V166-V187 HydrophobicContact CB-CG1 4.06Å; V166-V187 HydrophobicContact CG2-CG1 4.43Å; V166-V187 PolarHBondContact N-O 3.34Å; L168-V187 HydrophobicContact CD1-CB 4.4Å; L168-V187 HydrophobicContact CD1-CG1 4.14Å; L168-V187 HydrophobicContact CD1-CG2 4.06Å; I171-V187 HydrophobicContact CG1-CG2 4.24Å; I171-V187 HydrophobicContact CG2-CG2 4.43Å |
| 188 | Y | 97.5 | Very high | 85.5 | Confident | 28 Ų | 28 | 61.2 Ų | 61.2 | 11% | 0.11 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 137.9 | -176.1 | -57.1 | -75.6 | 0 | 0 | 0 | 110.7 | R139 I140 C142 H144 W160 L163 K164 K165 C186 | R139-Y188 CarbonylContact C-O 3.56Å; R139-Y188 VanDerWaalsContact CA-O 3.23Å; R139-Y188 WeakPolarHBondContact CA-O 3.45Å; I140-Y188 PolarHBondContact N-O 2.92Å; I140-Y188 PolarHBondContact O-N 3.23Å; C142-Y188 HydrophobicContact CB-CD2 4.11Å; C142-Y188 HydrophobicContact CB-CE2 3.84Å; H144-Y188 AromaticContact NE2-CE2 3.37Å; H144-Y188 WeakPolarHBondContact NE2-CE2 3.28Å; H144-Y188 AromaticContact NE2-CZ 3.52Å; H144-Y188 PolarHBondContact NE2-OH 3.24Å; W160-Y188 HydrophobicContact CE3-CD2 4.49Å; W160-Y188 HydrophobicContact CE3-CE2 4.28Å; W160-Y188 HydrophobicContact CZ3-CD2 4.05Å; W160-Y188 AromaticContact CZ3-CE2 3.98Å; W160-Y188 HydrophobicContact CZ3-CE2 3.98Å; L163-Y188 HydrophobicContact CB-CD1 3.97Å; L163-Y188 HydrophobicContact CB-CG 4.23Å; L163-Y188 HydrophobicContact CD1-CD1 4.31Å; L163-Y188 HydrophobicContact CD1-CD2 4.35Å; L163-Y188 HydrophobicContact CD1-CG 3.94Å; K164-Y188 CarbonylContact O-C 3.53Å; K164-Y188 WeakPolarHBondContact O-CA 3.42Å; K165-Y188 HydrophobicContact CB-CD1 4.24Å; K165-Y188 HydrophobicContact CB-CE1 4.26Å; K165-Y188 HydrophobicContact CG-CD1 4.44Å; K165-Y188 HydrophobicContact CG-CE1 4.2Å; C186-Y188 HydrophobicContact CB-CD2 4.42Å; C186-Y188 HydrophobicContact CB-CE1 4.35Å; C186-Y188 HydrophobicContact CB-CE2 3.52Å; C186-Y188 VanDerWaalsContact CB-CZ 3.47Å; C186-Y188 VanDerWaalsContact CB-OH 3.27Å; C186-Y188 WeakPolarHBondContact CB-OH 3.44Å |
| 189 | D | 96.9 | Very high | 84.9 | Confident | 41 Ų | 41 | 62 Ų | 62 | 22% | 0.219 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 130.6 | 163.1 | -73.3 | -31.1 | 0 | 0 | 0 | 109.1 | R139 K164 V166 | R139-D189 WeakPolarHBondContact CB-OD1 3.49Å; R139-D189 IonicContact CZ-OD1 3.82Å; R139-D189 IonicContact CZ-OD2 2.72Å; R139-D189 IonicContact NE-OD1 3.92Å; R139-D189 PolarHBondContact NE-OD1 3.46Å; R139-D189 IonicContact NE-OD2 3.11Å; R139-D189 IonicContact NH2-OD1 2.85Å; R139-D189 PolarHBondContact NH2-OD1 2.89Å; R139-D189 VanDerWaalsContact NH2-OD1 3.11Å; R139-D189 IonicContact NH2-OD2 3.36Å; R139-D189 PolarHBondContact NH2-OD2 3.19Å; K164-D189 HydrophobicContact CB-CB 4.44Å; K164-D189 PolarHBondContact N-O 3.19Å; K164-D189 PolarHBondContact O-N 3.41Å; V166-D189 HydrophobicContact CG2-CB 4.22Å; V166-D189 VanDerWaalsContact CG2-OD2 3.32Å; V166-D189 WeakPolarHBondContact CG2-OD2 3.4Å |
| 190 | V | 95.2 | Very high | 84.4 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 7% | 0.073 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 121.3 | 175.1 | -174.5 | 0 | 0 | 0 | 0 | 108.1 | L131 V138 I140 L163 F195 | L131-V190 HydrophobicContact CD2-CG2 4.23Å; V138-V190 HydrophobicContact CB-CB 4.07Å; V138-V190 HydrophobicContact CB-CG2 3.82Å; V138-V190 HydrophobicContact CG1-CG2 3.93Å; V138-V190 PolarHBondContact O-N 3.11Å; I140-V190 HydrophobicContact CD1-CG2 3.88Å; I140-V190 HydrophobicContact CG1-CG2 4.04Å; L163-V190 HydrophobicContact CD2-CB 4.15Å; L163-V190 HydrophobicContact CD2-CG1 4.23Å; L163-V190 HydrophobicContact CD2-CG2 3.81Å; V190-F195 HydrophobicContact CG1-CE2 4.43Å |
| 191 | P | 89.6 | Confident | 83.8 | Confident | 45 Ų | 45 | 58.8 Ų | 58.8 | 29% | 0.292 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 143.2 | 179 | 27.4 | -33.5 | 0 | 0 | 0 | 111.1 | K162 E193 Q194 | K162-P191 WeakPolarHBondContact O-CG 3.47Å; P191-E193 PolarHBondContact O-N 2.89Å; P191-E193 VanDerWaalsContact O-N 3.07Å; P191-Q194 HydrophobicContact CG-CG 4.07Å; P191-Q194 PolarHBondContact O-N 3.31Å |
| 192 | S | 76.5 | Confident | 83 | Confident | 113 Ų | 113 | 60.1 Ų | 60.1 | 79% | 0.79 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -60.2 | -21.2 | -176.3 | -42.7 | 0 | 0 | 0 | 0 | 114 | Q194 | S192-Q194 PolarHBondContact O-N 3.18Š|
| 193 | E | 66 | Low | 82.1 | Confident | 169 Ų | 169 | 61.1 Ų | 61.1 | 79% | 0.79 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -85.1 | -1.2 | -170.5 | -61.9 | 175.1 | -172.4 | 0 | 0 | 114 | P191 F195 | P191-E193 PolarHBondContact O-N 2.89Å; P191-E193 VanDerWaalsContact O-N 3.07Å; E193-F195 PolarHBondContact O-N 2.98Å |
| 194 | Q | 55.7 | Low | 80.9 | Confident | 46 Ų | 46 | 65.8 Ų | 65.8 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -80 | -0.6 | -171.9 | -91.6 | -172.2 | 8.9 | 0 | 0 | 116.7 | D159 K162 P191 S192 | D159-Q194 PolarHBondContact O-NE2 3.47Å; K162-Q194 HydrophobicContact CD-CG 4.34Å; P191-Q194 HydrophobicContact CG-CG 4.07Å; P191-Q194 PolarHBondContact O-N 3.31Å; S192-Q194 PolarHBondContact O-N 3.18Å |
| 195 | F | 49 | Very low | 79.5 | Confident | 93 Ų | 93 | 65.4 Ų | 65.4 | 41% | 0.408 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -117.9 | 23.2 | -174.5 | -60.1 | -70.8 | 0 | 0 | 0 | 115.1 | L131 V190 E193 | L131-F195 WeakPolarHBondContact O-CE1 3.2Å; L131-F195 VanDerWaalsContact O-CE2 3.23Å; L131-F195 WeakPolarHBondContact O-CE2 3.38Å; L131-F195 WeakPolarHBondContact O-CZ 3.4Å; V190-F195 HydrophobicContact CG1-CE2 4.43Å; E193-F195 PolarHBondContact O-N 2.98Å |
| 196 | I | 35.1 | Very low | 77.8 | Confident | 221 Ų | 221 | 70.5 Ų | 70.5 | 100% | 1.133 | 37% | 0.371 | S | S | * | . | trans | -93.5 | 0 | 171 | -47.9 | 179.8 | 0 | 0 | 0 | 109.8 |
Retrieved 196 of 196 residues in 255.8 ms
(Link to these results)