| 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 | 85.2 | Confident | 90.5 | Very high | 105 Ų | 105 | 56.7 Ų | 56.7 | 52% | 0.517 | 29% | 0.294 | S | S | . | . | 0 | 153.5 | 0 | 176.9 | 178.5 | -76.7 | 0 | 0 | 110.2 | V3 W202 C203 A204 L224 | M1-V3 HydrophobicContact CG-CG2 4.47Å; M1-W202 PolarHBondContact N-O 3.21Å; M1-C203 WeakPolarHBondContact O-CA 3.48Å; M1-A204 PolarHBondContact O-N 3.28Å; M1-A204 VanDerWaalsContact O-N 3.1Å; M1-L224 PolarHBondContact N-O 3.16Å | |||
| 2 | A | 87.3 | Confident | 90.9 | Very high | 10 Ų | 10 | 56.1 Ų | 56.1 | 8% | 0.083 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 123.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A204 L215 V218 E219 L224 | A2-A204 CarbonylContact C-O 3.59Å; A2-A204 WeakPolarHBondContact CA-O 3.44Å; A2-A204 HydrophobicContact CB-CB 4.25Å; A2-L215 HydrophobicContact CB-CD2 4Å; A2-V218 HydrophobicContact CB-CG1 4.34Å; A2-E219 HydrophobicContact CB-CG 3.66Å; A2-E219 PolarHBondContact N-OE1 3Å; A2-L224 HydrophobicContact CB-CD1 4.24Å |
| 3 | V | 92.6 | Very high | 91.2 | Very high | 29 Ų | 29 | 51.8 Ų | 51.8 | 18% | 0.176 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 141.2 | -176.6 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | M1 V37 E41 A204 F205 C206 | M1-V3 HydrophobicContact CG-CG2 4.47Å; V3-V37 HydrophobicContact CG1-CG1 3.71Å; V3-E41 HydrophobicContact CG2-CG 4.11Å; V3-A204 PolarHBondContact N-O 3.43Å; V3-F205 HydrophobicContact CB-CD1 4.02Å; V3-F205 HydrophobicContact CB-CE1 4.24Å; V3-F205 HydrophobicContact CG1-CD1 4.43Å; V3-F205 CarbonylContact O-C 3.53Å; V3-F205 VanDerWaalsContact O-CA 3.3Å; V3-F205 WeakPolarHBondContact O-CA 3.36Å; V3-C206 PolarHBondContact O-N 3.21Å |
| 4 | R | 94.3 | Very high | 91.5 | Very high | 92 Ų | 92 | 48.3 Ų | 48.3 | 35% | 0.347 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 133.9 | 175.5 | -70.2 | -176.7 | -179.4 | 98.7 | -5.4 | 111 | C206 L208 T210 S212 L215 | R4-C206 CarbonylContact C-O 3.5Å; R4-C206 VanDerWaalsContact CA-O 3.29Å; R4-C206 WeakPolarHBondContact CA-O 3.23Å; R4-L208 HydrophobicContact CB-CD1 4.41Å; R4-T210 PolarHBondContact NE-O 2.97Å; R4-T210 PolarHBondContact NH2-O 3.33Å; R4-S212 PolarHBondContact NH2-OG 3.31Å; R4-L215 HydrophobicContact CG-CD1 4.07Å; R4-L215 VanDerWaalsContact NH2-CD1 3.25Å |
| 5 | A | 92.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 4% | 0.041 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 161.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I13 F34 V37 C206 G207 L208 | A5-I13 HydrophobicContact CB-CD1 4.26Å; A5-I13 HydrophobicContact CB-CG2 4.23Å; A5-I13 WeakPolarHBondContact O-CG2 3.26Å; A5-F34 HydrophobicContact CB-CD2 4.37Å; A5-F34 HydrophobicContact CB-CE2 4.34Å; A5-V37 HydrophobicContact CB-CG1 4.03Å; A5-C206 PolarHBondContact N-O 3.46Å; A5-G207 CarbonylContact O-C 3.52Å; A5-G207 WeakPolarHBondContact O-CA 3.49Å; A5-L208 PolarHBondContact O-N 2.9Å |
| 6 | S | 92.6 | Very high | 91.9 | Very high | 37 Ų | 37 | 44.2 Ų | 44.2 | 26% | 0.259 | 23% | 0.229 | S | C | . | . | trans | -139.7 | 141 | 171.2 | 61.6 | 0 | 0 | 0 | 0 | 110.2 | N10 | S6-N10 WeakPolarHBondContact CA-O 3.26Š| ||
| 7 | F | 90.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -106.8 | 109.7 | 174.1 | -176.3 | -85.2 | 0 | 0 | 0 | 109 | N9 N10 F16 A27 G30 F34 | F7-N9 VanDerWaalsContact C-N 3.33Å; F7-N9 PolarHBondContact O-N 3.27Å; F7-N10 PolarHBondContact N-O 3.29Å; F7-N10 WeakPolarHBondContact O-CA 3.27Å; F7-N10 WeakPolarHBondContact O-CB 3.26Å; F7-N10 PolarHBondContact O-N 3.46Å; F7-F16 HydrophobicContact CB-CB 4.49Å; F7-F16 HydrophobicContact CB-CD2 3.64Å; F7-F16 HydrophobicContact CB-CE2 4.09Å; F7-F16 HydrophobicContact CB-CG 4.14Å; F7-F16 HydrophobicContact CD1-CB 4.49Å; F7-F16 AromaticContact CD1-CD1 3.74Å; F7-F16 HydrophobicContact CD1-CD1 3.74Å; F7-F16 AromaticContact CD1-CD2 3.7Å; F7-F16 HydrophobicContact CD1-CD2 3.7Å; F7-F16 AromaticContact CD1-CE1 3.78Å; F7-F16 HydrophobicContact CD1-CE1 3.78Å; F7-F16 AromaticContact CD1-CE2 3.74Å; F7-F16 HydrophobicContact CD1-CE2 3.74Å; F7-F16 AromaticContact CD1-CG 3.7Å; F7-F16 HydrophobicContact CD1-CG 3.7Å; F7-F16 AromaticContact CD1-CZ 3.77Å; F7-F16 HydrophobicContact CD1-CZ 3.77Å; F7-F16 HydrophobicContact CD2-CB 3.85Å; F7-F16 HydrophobicContact CD2-CD1 4.43Å; F7-F16 HydrophobicContact CD2-CD2 4.33Å; F7-F16 AromaticContact CD2-CG 3.95Å; F7-F16 HydrophobicContact CD2-CG 3.95Å; F7-F16 AromaticContact CE1-CD1 3.67Å; F7-F16 HydrophobicContact CE1-CD1 3.67Å; F7-F16 HydrophobicContact CE1-CD2 4.47Å; F7-F16 AromaticContact CE1-CE1 3.73Å; F7-F16 HydrophobicContact CE1-CE1 3.73Å; F7-F16 HydrophobicContact CE1-CG 4.06Å; F7-F16 HydrophobicContact CE1-CZ 4.16Å; F7-F16 HydrophobicContact CE2-CB 4.15Å; F7-F16 HydrophobicContact CE2-CD1 4.35Å; F7-F16 HydrophobicContact CE2-CG 4.27Å; F7-F16 HydrophobicContact CG-CB 4.03Å; F7-F16 HydrophobicContact CG-CD1 4.14Å; F7-F16 AromaticContact CG-CD2 3.63Å; F7-F16 HydrophobicContact CG-CD2 3.63Å; F7-F16 HydrophobicContact CG-CE2 4.09Å; F7-F16 AromaticContact CG-CG 3.65Å; F7-F16 HydrophobicContact CG-CG 3.65Å; F7-F16 AromaticContact CZ-CD1 3.99Å; F7-F16 HydrophobicContact CZ-CD1 3.99Å; F7-F16 HydrophobicContact CZ-CE1 4.45Å; F7-F16 HydrophobicContact CZ-CG 4.33Å; F7-A27 HydrophobicContact CE2-CB 4.1Å; F7-A27 HydrophobicContact CZ-CB 4.33Å; F7-G30 VanDerWaalsContact CZ-CA 3.46Å; F7-F34 HydrophobicContact CB-CD2 3.95Å; F7-F34 HydrophobicContact CB-CE2 4.03Å; F7-F34 HydrophobicContact CB-CG 4.37Å; F7-F34 HydrophobicContact CD2-CB 4.32Å; F7-F34 AromaticContact CD2-CD1 3.66Å; F7-F34 HydrophobicContact CD2-CD1 3.66Å; F7-F34 HydrophobicContact CD2-CD2 4.19Å; F7-F34 AromaticContact CD2-CE1 3.91Å; F7-F34 HydrophobicContact CD2-CE1 3.91Å; F7-F34 HydrophobicContact CD2-CE2 4.41Å; F7-F34 AromaticContact CD2-CG 3.79Å; F7-F34 HydrophobicContact CD2-CG 3.79Å; F7-F34 HydrophobicContact CD2-CZ 4.27Å; F7-F34 HydrophobicContact CE2-CD1 4.28Å |
| 8 | E | 88.6 | Confident | 92.4 | Very high | 98 Ų | 98 | 41.2 Ų | 41.2 | 46% | 0.458 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 45.2 | 179.2 | -59.2 | -175.9 | 153.9 | 0 | 0 | 114.2 | N10 R57 | E8-N10 PolarHBondContact O-N 2.74Å; E8-R57 VanDerWaalsContact CD-NH1 3.28Å; E8-R57 IonicContact OE1-NH1 3.39Å; E8-R57 PolarHBondContact OE1-NH1 2.73Å; E8-R57 IonicContact OE2-CZ 3.6Å; E8-R57 IonicContact OE2-NH1 2.71Å; E8-R57 PolarHBondContact OE2-NH1 3.24Å; E8-R57 IonicContact OE2-NH2 3.03Å; E8-R57 PolarHBondContact OE2-NH2 3Å |
| 9 | N | 87.3 | Confident | 92.6 | Very high | 162 Ų | 162 | 39.5 Ų | 39.5 | 87% | 0.866 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 14.9 | -172.6 | -56.3 | -39 | 0 | 0 | 0 | 115.2 | F7 | F7-N9 VanDerWaalsContact C-N 3.33Å; F7-N9 PolarHBondContact O-N 3.27Å |
| 10 | N | 91.6 | Very high | 92.7 | Very high | 68 Ų | 68 | 37.9 Ų | 37.9 | 36% | 0.364 | 20% | 0.195 | S | C | . | . | B | Isolated β-bridge | trans | -100.9 | 129.5 | 170.5 | -163.9 | -20.9 | 0 | 0 | 0 | 110.4 | S6 F7 E8 E12 F16 | S6-N10 WeakPolarHBondContact CA-O 3.26Å; F7-N10 PolarHBondContact N-O 3.29Å; F7-N10 WeakPolarHBondContact O-CA 3.27Å; F7-N10 WeakPolarHBondContact O-CB 3.26Å; F7-N10 PolarHBondContact O-N 3.46Å; E8-N10 PolarHBondContact O-N 2.74Å; N10-E12 VanDerWaalsContact C-N 3.35Å; N10-E12 WeakPolarHBondContact OD1-CB 3.46Å; N10-E12 WeakPolarHBondContact OD1-CG 3.4Å; N10-E12 PolarHBondContact OD1-N 3.46Å; N10-F16 HydrophobicContact CB-CE2 4.23Å |
| 11 | C | 93.3 | Very high | 92.8 | Very high | 17 Ų | 17 | 37.4 Ų | 37.4 | 12% | 0.115 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -84.9 | -9.1 | 178.4 | -64.8 | 0 | 0 | 0 | 0 | 112.8 | I13 N187 G207 D209 | C11-I13 PolarHBondContact O-N 3.26Å; C11-N187 HydrophobicContact CB-CB 4.46Å; C11-N187 PolarHBondContact O-ND2 3.02Å; C11-G207 WeakPolarHBondContact O-CA 3.36Å; C11-D209 HydrophobicContact CB-CB 4.37Å; C11-D209 PolarHBondContact SG-OD2 2.87Å |
| 12 | E | 94.8 | Very high | 93.2 | Very high | 49 Ų | 49 | 34 Ų | 34 | 23% | 0.229 | 18% | 0.178 | C | C | . | . | trans | -81.5 | 58.8 | 178.6 | -53.4 | -64.8 | -163.3 | 0 | 0 | 112.1 | N10 G14 C15 F16 N187 A195 G196 | N10-E12 VanDerWaalsContact C-N 3.35Å; N10-E12 WeakPolarHBondContact OD1-CB 3.46Å; N10-E12 WeakPolarHBondContact OD1-CG 3.4Å; N10-E12 PolarHBondContact OD1-N 3.46Å; E12-G14 VanDerWaalsContact C-N 3.25Å; E12-G14 PolarHBondContact O-N 2.88Å; E12-C15 VanDerWaalsContact O-CB 3.24Å; E12-C15 WeakPolarHBondContact O-CB 3.37Å; E12-C15 PolarHBondContact O-N 3.11Å; E12-F16 VanDerWaalsContact O-CD2 3.26Å; E12-F16 WeakPolarHBondContact O-CD2 3.47Å; E12-F16 WeakPolarHBondContact O-CE2 3.47Å; E12-N187 PolarHBondContact OE2-ND2 2.88Å; E12-N187 VanDerWaalsContact OE2-ND2 3.15Å; E12-A195 CarbonylContact C-O 3.53Å; E12-A195 WeakPolarHBondContact CA-O 3.33Å; E12-A195 HydrophobicContact CB-CB 4.11Å; E12-A195 HydrophobicContact CG-CB 4.2Å; E12-A195 WeakPolarHBondContact OE2-CB 3.39Å; E12-G196 VanDerWaalsContact OE2-CA 3.26Å; E12-G196 WeakPolarHBondContact OE2-CA 3.36Å; E12-G196 PolarHBondContact OE2-N 3.23Å; E12-G196 VanDerWaalsContact OE2-N 3.1Å | ||
| 13 | I | 94.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.6 | -29.6 | -174.1 | 60.4 | 162.3 | 0 | 0 | 0 | 113.8 | A5 C11 C15 F16 A17 F34 A195 F205 C206 | A5-I13 HydrophobicContact CB-CD1 4.26Å; A5-I13 HydrophobicContact CB-CG2 4.23Å; A5-I13 WeakPolarHBondContact O-CG2 3.26Å; C11-I13 PolarHBondContact O-N 3.26Å; I13-C15 PolarHBondContact O-N 2.99Å; I13-F16 CarbonylContact O-C 3.49Å; I13-F16 PolarHBondContact O-N 3.15Å; I13-A17 PolarHBondContact O-N 2.79Å; I13-F34 HydrophobicContact CB-CE2 3.86Å; I13-F34 HydrophobicContact CB-CZ 4.3Å; I13-F34 HydrophobicContact CG2-CE2 3.73Å; I13-A195 PolarHBondContact N-O 2.9Å; I13-F205 VanDerWaalsContact CD1-C 3.45Å; I13-F205 HydrophobicContact CD1-CB 3.62Å; I13-F205 WeakPolarHBondContact CD1-O 3.49Å; I13-C206 WeakPolarHBondContact CD1-O 3.39Å |
| 14 | G | 95.6 | Very high | 93.8 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -72.2 | -10.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E12 F16 G60 A194 A195 | E12-G14 VanDerWaalsContact C-N 3.25Å; E12-G14 PolarHBondContact O-N 2.88Å; G14-F16 VanDerWaalsContact C-N 3.31Å; G14-G60 WeakPolarHBondContact O-CA 3.04Å; G14-A194 CarbonylContact C-O 3.55Å; G14-A194 WeakPolarHBondContact CA-O 3.39Å; G14-A195 WeakPolarHBondContact CA-O 3.33Å; G14-A195 PolarHBondContact N-O 3.41Å |
| 15 | C | 94.7 | Very high | 93.9 | Very high | 13 Ų | 13 | 27.8 Ų | 27.8 | 9% | 0.088 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.6 | -33.3 | 164.1 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | E12 I13 I58 I59 G60 R61 | E12-C15 VanDerWaalsContact O-CB 3.24Å; E12-C15 WeakPolarHBondContact O-CB 3.37Å; E12-C15 PolarHBondContact O-N 3.11Å; I13-C15 PolarHBondContact O-N 2.99Å; C15-I58 HydrophobicContact CB-CG2 4.41Å; C15-I58 CarbonylContact O-C 3.58Å; C15-I58 WeakPolarHBondContact O-CA 3.47Å; C15-I59 PolarHBondContact O-N 3.46Å; C15-I59 VanDerWaalsContact O-N 3.14Å; C15-G60 PolarHBondContact O-N 2.96Å; C15-R61 HydrophobicContact CB-CG 4.13Å; C15-R61 PolarHBondContact SG-NE 2.89Å; C15-R61 PolarHBondContact SG-NH2 2.64Å; C15-R61 VanDerWaalsContact SG-NH2 3.44Å |
| 16 | F | 95.3 | Very high | 93.9 | Very high | 18 Ų | 18 | 27.6 Ų | 27.6 | 8% | 0.079 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -105.7 | -2.3 | -169.7 | -52.8 | -75.2 | 0 | 0 | 0 | 113.8 | F7 N10 E12 I13 G14 A27 F34 R57 I58 I59 | F7-F16 HydrophobicContact CB-CB 4.49Å; F7-F16 HydrophobicContact CB-CD2 3.64Å; F7-F16 HydrophobicContact CB-CE2 4.09Å; F7-F16 HydrophobicContact CB-CG 4.14Å; F7-F16 HydrophobicContact CD1-CB 4.49Å; F7-F16 AromaticContact CD1-CD1 3.74Å; F7-F16 HydrophobicContact CD1-CD1 3.74Å; F7-F16 AromaticContact CD1-CD2 3.7Å; F7-F16 HydrophobicContact CD1-CD2 3.7Å; F7-F16 AromaticContact CD1-CE1 3.78Å; F7-F16 HydrophobicContact CD1-CE1 3.78Å; F7-F16 AromaticContact CD1-CE2 3.74Å; F7-F16 HydrophobicContact CD1-CE2 3.74Å; F7-F16 AromaticContact CD1-CG 3.7Å; F7-F16 HydrophobicContact CD1-CG 3.7Å; F7-F16 AromaticContact CD1-CZ 3.77Å; F7-F16 HydrophobicContact CD1-CZ 3.77Å; F7-F16 HydrophobicContact CD2-CB 3.85Å; F7-F16 HydrophobicContact CD2-CD1 4.43Å; F7-F16 HydrophobicContact CD2-CD2 4.33Å; F7-F16 AromaticContact CD2-CG 3.95Å; F7-F16 HydrophobicContact CD2-CG 3.95Å; F7-F16 AromaticContact CE1-CD1 3.67Å; F7-F16 HydrophobicContact CE1-CD1 3.67Å; F7-F16 HydrophobicContact CE1-CD2 4.47Å; F7-F16 AromaticContact CE1-CE1 3.73Å; F7-F16 HydrophobicContact CE1-CE1 3.73Å; F7-F16 HydrophobicContact CE1-CG 4.06Å; F7-F16 HydrophobicContact CE1-CZ 4.16Å; F7-F16 HydrophobicContact CE2-CB 4.15Å; F7-F16 HydrophobicContact CE2-CD1 4.35Å; F7-F16 HydrophobicContact CE2-CG 4.27Å; F7-F16 HydrophobicContact CG-CB 4.03Å; F7-F16 HydrophobicContact CG-CD1 4.14Å; F7-F16 AromaticContact CG-CD2 3.63Å; F7-F16 HydrophobicContact CG-CD2 3.63Å; F7-F16 HydrophobicContact CG-CE2 4.09Å; F7-F16 AromaticContact CG-CG 3.65Å; F7-F16 HydrophobicContact CG-CG 3.65Å; F7-F16 AromaticContact CZ-CD1 3.99Å; F7-F16 HydrophobicContact CZ-CD1 3.99Å; F7-F16 HydrophobicContact CZ-CE1 4.45Å; F7-F16 HydrophobicContact CZ-CG 4.33Å; N10-F16 HydrophobicContact CB-CE2 4.23Å; E12-F16 VanDerWaalsContact O-CD2 3.26Å; E12-F16 WeakPolarHBondContact O-CD2 3.47Å; E12-F16 WeakPolarHBondContact O-CE2 3.47Å; I13-F16 CarbonylContact O-C 3.49Å; I13-F16 PolarHBondContact O-N 3.15Å; G14-F16 VanDerWaalsContact C-N 3.31Å; F16-A27 HydrophobicContact CB-CB 3.98Å; F16-A27 HydrophobicContact CD1-CB 4.38Å; F16-A27 WeakPolarHBondContact O-CB 3.07Å; F16-A27 PolarHBondContact O-N 3.01Å; F16-F34 HydrophobicContact CB-CE1 4.49Å; F16-F34 HydrophobicContact CB-CZ 4.36Å; F16-R57 HydrophobicContact CD1-CB 4.36Å; F16-I58 HydrophobicContact CE1-CG2 4.15Å; F16-I59 WeakPolarHBondContact O-CD1 3.48Å; F16-I59 VanDerWaalsContact O-CG1 3.3Å; F16-I59 WeakPolarHBondContact O-CG1 3.47Å |
| 17 | A | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 149.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | I13 L25 V26 F34 F38 G60 V198 | I13-A17 PolarHBondContact O-N 2.79Å; A17-L25 CarbonylContact C-O 3.59Å; A17-L25 VanDerWaalsContact CA-O 3.22Å; A17-L25 WeakPolarHBondContact CA-O 3.27Å; A17-V26 HydrophobicContact CB-CG1 4.24Å; A17-F34 HydrophobicContact CB-CE1 4.46Å; A17-F34 HydrophobicContact CB-CZ 4.13Å; A17-F38 HydrophobicContact CB-CE1 3.94Å; A17-F38 HydrophobicContact CB-CE2 4.47Å; A17-F38 HydrophobicContact CB-CZ 3.73Å; A17-G60 WeakPolarHBondContact O-CA 3.4Å; A17-V198 HydrophobicContact CB-CG2 4.46Å |
| 18 | K | 96 | Very high | 93.9 | Very high | 34 Ų | 34 | 29.4 Ų | 29.4 | 15% | 0.148 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 117.1 | 166.4 | -174.1 | 66.4 | 178.3 | -178.7 | 0 | 108.3 | C24 L25 | K18-C24 CarbonylContact O-C 2.91Å; K18-C24 WeakPolarHBondContact O-CA 3.28Å; K18-L25 HydrophobicContact CB-CB 4.3Å; K18-L25 PolarHBondContact N-O 3.4Å; K18-L25 PolarHBondContact O-N 2.94Å |
| 19 | L | 96.2 | Very high | 93.5 | Very high | 10 Ų | 10 | 27 Ų | 27 | 5% | 0.052 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 135.3 | -178.8 | -176.5 | 60.5 | 0 | 0 | 0 | 110.1 | C24 L42 I46 V198 N200 F205 | L19-C24 HydrophobicContact CD1-CB 3.79Å; L19-L42 HydrophobicContact CD1-CD1 3.61Å; L19-L42 HydrophobicContact CD1-CD2 4.18Å; L19-I46 HydrophobicContact CD1-CD1 3.81Å; L19-V198 HydrophobicContact CB-CB 3.93Å; L19-V198 HydrophobicContact CB-CG2 4.07Å; L19-V198 HydrophobicContact CD2-CG2 4.44Å; L19-N200 HydrophobicContact CD2-CB 4.01Å; L19-N200 HydrophobicContact CG-CB 3.94Å; L19-F205 HydrophobicContact CD2-CD2 3.88Å; L19-F205 HydrophobicContact CD2-CE2 3.91Å |
| 20 | T | 95.9 | Very high | 92.8 | Very high | 6 Ų | 6 | 20 Ų | 20 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | trans | -131.8 | 177.2 | 171.6 | 75.3 | 0 | 0 | 0 | 0 | 109.6 | T22 Y23 I46 | T20-T22 VanDerWaalsContact C-N 3.26Å; T20-T22 PolarHBondContact O-N 3.16Å; T20-T22 PolarHBondContact OG1-N 2.87Å; T20-Y23 HydrophobicContact CG2-CD2 4.32Å; T20-Y23 HydrophobicContact CG2-CE1 4.05Å; T20-Y23 HydrophobicContact CG2-CE2 3.75Å; T20-Y23 PolarHBondContact N-O 3.33Å; T20-Y23 WeakPolarHBondContact OG1-CD1 3.32Å; T20-Y23 WeakPolarHBondContact OG1-CE1 3.32Å; T20-Y23 PolarHBondContact OG1-N 3.07Å; T20-Y23 PolarHBondContact OG1-O 3.22Å; T20-I46 WeakPolarHBondContact O-CD1 3.22Å | ||
| 21 | N | 94.1 | Very high | 91.9 | Very high | 28 Ų | 28 | 18.8 Ų | 18.8 | 15% | 0.15 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -75.1 | -7.4 | 174.4 | -75.4 | -24.5 | 0 | 0 | 0 | 114.3 | I46 R67 D112 N156 N200 D201 W202 | N21-I46 WeakPolarHBondContact O-CG2 3.42Å; N21-R67 HydrophobicContact CB-CB 4.36Å; N21-D112 PolarHBondContact ND2-OD2 3.25Å; N21-N156 PolarHBondContact ND2-ND2 3.44Å; N21-N200 WeakPolarHBondContact OD1-CB 3.36Å; N21-D201 VanDerWaalsContact ND2-CG 3.26Å; N21-D201 PolarHBondContact ND2-OD2 3.41Å; N21-D201 PolarHBondContact OD1-N 3.21Å; N21-D201 VanDerWaalsContact OD1-N 3.11Å; N21-W202 HydrophobicContact CB-CH2 4.38Å; N21-W202 HydrophobicContact CB-CZ3 3.99Å; N21-W202 VanDerWaalsContact O-CH2 3.28Å; N21-W202 WeakPolarHBondContact O-CH2 3.37Å; N21-W202 WeakPolarHBondContact OD1-CZ3 3.3Å |
| 22 | T | 94.7 | Very high | 91.4 | Very high | 35 Ų | 35 | 25.4 Ų | 25.4 | 22% | 0.215 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -127.6 | -16.2 | -176.5 | 49.4 | 0 | 0 | 0 | 0 | 114.5 | T20 P47 R67 | T20-T22 VanDerWaalsContact C-N 3.26Å; T20-T22 PolarHBondContact O-N 3.16Å; T20-T22 PolarHBondContact OG1-N 2.87Å; T22-P47 WeakPolarHBondContact O-CD 3.3Å; T22-R67 HydrophobicContact CG2-CB 3.69Å; T22-R67 WeakPolarHBondContact OG1-CA 3.48Å |
| 23 | Y | 95.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -160.2 | 157.5 | 178.4 | 61.5 | -91 | 0 | 0 | 0 | 110 | T20 L25 N66 G69 L70 L88 V92 | T20-Y23 HydrophobicContact CG2-CD2 4.32Å; T20-Y23 HydrophobicContact CG2-CE1 4.05Å; T20-Y23 HydrophobicContact CG2-CE2 3.75Å; T20-Y23 PolarHBondContact N-O 3.33Å; T20-Y23 WeakPolarHBondContact OG1-CD1 3.32Å; T20-Y23 WeakPolarHBondContact OG1-CE1 3.32Å; T20-Y23 PolarHBondContact OG1-N 3.07Å; T20-Y23 PolarHBondContact OG1-O 3.22Å; Y23-L25 HydrophobicContact CD2-CD2 4.06Å; Y23-L25 HydrophobicContact CD2-CG 4.03Å; Y23-L25 HydrophobicContact CE2-CD1 4.37Å; Y23-L25 HydrophobicContact CE2-CD2 4.38Å; Y23-L25 HydrophobicContact CE2-CG 4.05Å; Y23-N66 WeakPolarHBondContact CE1-O 3.33Å; Y23-N66 PolarHBondContact OH-O 3.41Å; Y23-G69 PolarHBondContact OH-O 2.64Å; Y23-G69 VanDerWaalsContact OH-O 3.08Å; Y23-L70 HydrophobicContact CE2-CD1 4.19Å; Y23-L70 WeakPolarHBondContact OH-CB 3.44Å; Y23-L88 HydrophobicContact CD1-CD2 3.74Å; Y23-L88 HydrophobicContact CD2-CD2 3.43Å; Y23-L88 VanDerWaalsContact CD2-CD2 3.43Å; Y23-L88 HydrophobicContact CE1-CD2 4.27Å; Y23-L88 HydrophobicContact CE2-CD2 3.98Å; Y23-L88 HydrophobicContact CG-CD2 3.3Å; Y23-V92 HydrophobicContact CD1-CG1 4.14Å; Y23-V92 HydrophobicContact CD1-CG2 3.86Å; Y23-V92 HydrophobicContact CE1-CB 4.35Å; Y23-V92 HydrophobicContact CE1-CG1 3.52Å; Y23-V92 HydrophobicContact CE1-CG2 3.91Å | ||
| 24 | C | 95.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 131.6 | 169.9 | -176.2 | 0 | 0 | 0 | 0 | 109 | K18 L19 L42 I46 P47 V48 V49 | K18-C24 CarbonylContact O-C 2.91Å; K18-C24 WeakPolarHBondContact O-CA 3.28Å; L19-C24 HydrophobicContact CD1-CB 3.79Å; C24-L42 HydrophobicContact CB-CD1 3.8Å; C24-I46 HydrophobicContact CB-CD1 4.29Å; C24-P47 PolarHBondContact N-O 3.05Å; C24-V48 HydrophobicContact CB-CG2 4.31Å; C24-V48 CarbonylContact O-C 3.4Å; C24-V48 WeakPolarHBondContact O-CA 3.43Å; C24-V49 PolarHBondContact O-N 2.92Å |
| 25 | L | 95.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 135.6 | 168.6 | -54.4 | -179 | 0 | 0 | 0 | 108.6 | A17 K18 Y23 V49 I59 L70 I84 L88 | A17-L25 CarbonylContact C-O 3.59Å; A17-L25 VanDerWaalsContact CA-O 3.22Å; A17-L25 WeakPolarHBondContact CA-O 3.27Å; K18-L25 HydrophobicContact CB-CB 4.3Å; K18-L25 PolarHBondContact N-O 3.4Å; K18-L25 PolarHBondContact O-N 2.94Å; Y23-L25 HydrophobicContact CD2-CD2 4.06Å; Y23-L25 HydrophobicContact CD2-CG 4.03Å; Y23-L25 HydrophobicContact CE2-CD1 4.37Å; Y23-L25 HydrophobicContact CE2-CD2 4.38Å; Y23-L25 HydrophobicContact CE2-CG 4.05Å; L25-V49 WeakPolarHBondContact CA-O 3.47Å; L25-V49 HydrophobicContact CD2-CB 3.84Å; L25-V49 HydrophobicContact CD2-CG1 4.24Å; L25-V49 HydrophobicContact CD2-CG2 4.43Å; L25-I59 HydrophobicContact CB-CD1 3.6Å; L25-I59 VanDerWaalsContact O-CD1 3.3Å; L25-I59 WeakPolarHBondContact O-CD1 3.36Å; L25-L70 HydrophobicContact CD1-CD1 3.81Å; L25-L70 HydrophobicContact CD1-CD2 3.68Å; L25-L70 HydrophobicContact CD1-CG 4.42Å; L25-I84 HydrophobicContact CD2-CG2 4.36Å; L25-L88 HydrophobicContact CD2-CD2 4.28Å |
| 26 | V | 94.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 143.3 | 175.5 | -72.8 | 0 | 0 | 0 | 0 | 109.8 | A17 F34 Y35 F38 V48 V49 H50 A51 I59 | A17-V26 HydrophobicContact CB-CG1 4.24Å; V26-F34 HydrophobicContact CB-CE1 4.44Å; V26-F34 HydrophobicContact CG1-CE1 4.21Å; V26-Y35 HydrophobicContact CB-CD1 4.37Å; V26-Y35 HydrophobicContact CB-CE1 4.47Å; V26-Y35 HydrophobicContact CG2-CD1 4.19Å; V26-Y35 HydrophobicContact CG2-CE1 4.41Å; V26-F38 HydrophobicContact CG1-CB 4.37Å; V26-F38 HydrophobicContact CG1-CD1 4.25Å; V26-F38 HydrophobicContact CG1-CD2 4.39Å; V26-F38 HydrophobicContact CG1-CG 4.07Å; V26-V48 HydrophobicContact CB-CG1 4.49Å; V26-V48 HydrophobicContact CG1-CG1 4.07Å; V26-V48 HydrophobicContact CG2-CG1 3.54Å; V26-V49 WeakPolarHBondContact CG2-O 3.49Å; V26-V49 PolarHBondContact N-O 2.91Å; V26-H50 WeakPolarHBondContact CG2-CD2 3.43Å; V26-H50 CarbonylContact O-C 2.89Å; V26-H50 WeakPolarHBondContact O-CA 3.28Å; V26-A51 PolarHBondContact O-N 3.49Å; V26-I59 VanDerWaalsContact CA-CD1 3.47Å |
| 27 | A | 92.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 135.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F7 F16 Y35 A51 R57 I59 | F7-A27 HydrophobicContact CE2-CB 4.1Å; F7-A27 HydrophobicContact CZ-CB 4.33Å; F16-A27 HydrophobicContact CB-CB 3.98Å; F16-A27 HydrophobicContact CD1-CB 4.38Å; F16-A27 WeakPolarHBondContact O-CB 3.07Å; F16-A27 PolarHBondContact O-N 3.01Å; A27-Y35 VanDerWaalsContact O-CE1 3.27Å; A27-Y35 WeakPolarHBondContact O-CE1 3.18Å; A27-Y35 PolarHBondContact O-OH 3.44Å; A27-A51 WeakPolarHBondContact CA-O 3.4Å; A27-R57 HydrophobicContact CB-CB 4.02Å; A27-R57 WeakPolarHBondContact CB-O 3.46Å; A27-I59 HydrophobicContact CB-CG1 4.43Å |
| 28 | I | 89 | Confident | 89.8 | Confident | 77 Ų | 77 | 34.2 Ų | 34.2 | 40% | 0.395 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | 145.5 | 171.9 | -65.3 | 165.9 | 0 | 0 | 0 | 111 | H50 A51 R57 | I28-H50 HydrophobicContact CG1-CB 4.06Å; I28-A51 PolarHBondContact N-O 3.03Å; I28-R57 VanDerWaalsContact O-CD 3.26Å; I28-R57 WeakPolarHBondContact O-CD 3.47Å; I28-R57 WeakPolarHBondContact O-CG 3.26Å |
| 29 | G | 81.2 | Confident | 89.6 | Confident | 48 Ų | 48 | 36.1 Ų | 36.1 | 50% | 0.495 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 11.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y35 | G29-Y35 PolarHBondContact N-OH 3.46Š|
| 30 | G | 71.3 | Confident | 89.3 | Confident | 14 Ų | 14 | 38.2 Ų | 38.2 | 14% | 0.144 | 23% | 0.233 | C | C | . | . | trans | -70.7 | 175.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F7 Y35 | F7-G30 VanDerWaalsContact CZ-CA 3.46Å; G30-Y35 WeakPolarHBondContact CA-OH 3.28Å; G30-Y35 PolarHBondContact N-OH 2.79Å; G30-Y35 WeakPolarHBondContact O-CE2 3.34Å | ||
| 31 | S | 74.4 | Confident | 88.9 | Confident | 42 Ų | 42 | 42.5 Ų | 42.5 | 29% | 0.294 | 25% | 0.253 | S | S | . | . | trans | -68.5 | 141.8 | 173.8 | 77.5 | 0 | 0 | 0 | 0 | 110.7 | N33 F34 | S31-N33 PolarHBondContact O-N 3.02Å; S31-F34 WeakPolarHBondContact O-CB 3.22Å; S31-F34 PolarHBondContact O-N 3.28Å; S31-F34 PolarHBondContact OG-N 3.25Å | ||
| 32 | E | 81.2 | Confident | 88.8 | Confident | 157 Ų | 157 | 41.1 Ų | 41.1 | 73% | 0.734 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -54 | -28.2 | 174 | -69.5 | -177.7 | 166.8 | 0 | 0 | 112.3 | F34 Y35 S36 | E32-F34 VanDerWaalsContact C-N 3.35Å; E32-F34 PolarHBondContact O-N 3.4Å; E32-Y35 PolarHBondContact O-N 2.97Å; E32-S36 WeakPolarHBondContact O-CB 3.5Å; E32-S36 PolarHBondContact O-N 3Å; E32-S36 PolarHBondContact O-OG 3.13Å |
| 33 | N | 85.5 | Confident | 88.4 | Confident | 123 Ų | 123 | 43 Ų | 43 | 66% | 0.658 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62 | -40 | 174.2 | -64 | -13.7 | 0 | 0 | 0 | 112.3 | S31 V37 | S31-N33 PolarHBondContact O-N 3.02Å; N33-V37 WeakPolarHBondContact O-CG2 3.44Å; N33-V37 PolarHBondContact O-N 2.77Å |
| 34 | F | 88 | Confident | 88 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.1 | -45.5 | 177.9 | -176.1 | -104.5 | 0 | 0 | 0 | 110.7 | A5 F7 I13 F16 A17 V26 S31 E32 V37 F38 | A5-F34 HydrophobicContact CB-CD2 4.37Å; A5-F34 HydrophobicContact CB-CE2 4.34Å; F7-F34 HydrophobicContact CB-CD2 3.95Å; F7-F34 HydrophobicContact CB-CE2 4.03Å; F7-F34 HydrophobicContact CB-CG 4.37Å; F7-F34 HydrophobicContact CD2-CB 4.32Å; F7-F34 AromaticContact CD2-CD1 3.66Å; F7-F34 HydrophobicContact CD2-CD1 3.66Å; F7-F34 HydrophobicContact CD2-CD2 4.19Å; F7-F34 AromaticContact CD2-CE1 3.91Å; F7-F34 HydrophobicContact CD2-CE1 3.91Å; F7-F34 HydrophobicContact CD2-CE2 4.41Å; F7-F34 AromaticContact CD2-CG 3.79Å; F7-F34 HydrophobicContact CD2-CG 3.79Å; F7-F34 HydrophobicContact CD2-CZ 4.27Å; F7-F34 HydrophobicContact CE2-CD1 4.28Å; I13-F34 HydrophobicContact CB-CE2 3.86Å; I13-F34 HydrophobicContact CB-CZ 4.3Å; I13-F34 HydrophobicContact CG2-CE2 3.73Å; F16-F34 HydrophobicContact CB-CE1 4.49Å; F16-F34 HydrophobicContact CB-CZ 4.36Å; A17-F34 HydrophobicContact CB-CE1 4.46Å; A17-F34 HydrophobicContact CB-CZ 4.13Å; V26-F34 HydrophobicContact CB-CE1 4.44Å; V26-F34 HydrophobicContact CG1-CE1 4.21Å; S31-F34 WeakPolarHBondContact O-CB 3.22Å; S31-F34 PolarHBondContact O-N 3.28Å; S31-F34 PolarHBondContact OG-N 3.25Å; E32-F34 VanDerWaalsContact C-N 3.35Å; E32-F34 PolarHBondContact O-N 3.4Å; F34-V37 PolarHBondContact O-N 2.84Å; F34-F38 HydrophobicContact CD1-CD2 4.44Å; F34-F38 HydrophobicContact CD1-CE2 4.46Å; F34-F38 HydrophobicContact CD2-CE2 4.17Å; F34-F38 HydrophobicContact CE1-CD2 4.14Å; F34-F38 AromaticContact CE1-CE2 3.85Å; F34-F38 HydrophobicContact CE1-CE2 3.85Å; F34-F38 HydrophobicContact CE2-CD2 4.29Å; F34-F38 AromaticContact CE2-CE2 3.51Å; F34-F38 HydrophobicContact CE2-CE2 3.51Å; F34-F38 HydrophobicContact CE2-CZ 4.35Å; F34-F38 HydrophobicContact CZ-CD2 4.07Å; F34-F38 AromaticContact CZ-CE2 3.33Å; F34-F38 HydrophobicContact CZ-CE2 3.33Å; F34-F38 AromaticContact CZ-CZ 3.96Å; F34-F38 HydrophobicContact CZ-CZ 3.96Å; F34-F38 WeakPolarHBondContact O-CD2 3.41Å; F34-F38 PolarHBondContact O-N 2.71Å |
| 35 | Y | 88.7 | Confident | 87.7 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 11% | 0.114 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 178.4 | -49.9 | -45.5 | 0 | 0 | 0 | 112.2 | V26 A27 G29 G30 E32 V37 F38 E39 H50 | V26-Y35 HydrophobicContact CB-CD1 4.37Å; V26-Y35 HydrophobicContact CB-CE1 4.47Å; V26-Y35 HydrophobicContact CG2-CD1 4.19Å; V26-Y35 HydrophobicContact CG2-CE1 4.41Å; A27-Y35 VanDerWaalsContact O-CE1 3.27Å; A27-Y35 WeakPolarHBondContact O-CE1 3.18Å; A27-Y35 PolarHBondContact O-OH 3.44Å; G29-Y35 PolarHBondContact N-OH 3.46Å; G30-Y35 WeakPolarHBondContact CA-OH 3.28Å; G30-Y35 PolarHBondContact N-OH 2.79Å; G30-Y35 WeakPolarHBondContact O-CE2 3.34Å; E32-Y35 PolarHBondContact O-N 2.97Å; Y35-V37 PolarHBondContact O-N 2.81Å; Y35-V37 VanDerWaalsContact O-N 3.13Å; Y35-F38 PolarHBondContact O-N 2.91Å; Y35-E39 WeakPolarHBondContact O-CB 3.47Å; Y35-E39 PolarHBondContact O-N 2.97Å; Y35-H50 AromaticContact CD1-CD2 3.65Å; Y35-H50 AromaticContact CD1-NE2 3.44Å; Y35-H50 WeakPolarHBondContact CD1-NE2 3.3Å; Y35-H50 AromaticContact CD2-NE2 3.97Å; Y35-H50 AromaticContact CE1-CD2 3.6Å; Y35-H50 AromaticContact CE1-NE2 3.87Å; Y35-H50 AromaticContact CG-NE2 3.49Å |
| 36 | S | 90 | Very high | 87.6 | Confident | 70 Ų | 70 | 55.3 Ų | 55.3 | 49% | 0.49 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.5 | -32.1 | -179.1 | -59.1 | 0 | 0 | 0 | 0 | 112.3 | E32 G40 | E32-S36 WeakPolarHBondContact O-CB 3.5Å; E32-S36 PolarHBondContact O-N 3Å; E32-S36 PolarHBondContact O-OG 3.13Å; S36-G40 WeakPolarHBondContact O-CA 3.27Å; S36-G40 PolarHBondContact O-N 3.42Å |
| 37 | V | 92.2 | Very high | 87.6 | Confident | 43 Ų | 43 | 57.9 Ų | 57.9 | 26% | 0.261 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69.6 | -43.9 | 175.9 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | V3 A5 N33 F34 Y35 F205 | V3-V37 HydrophobicContact CG1-CG1 3.71Å; A5-V37 HydrophobicContact CB-CG1 4.03Å; N33-V37 WeakPolarHBondContact O-CG2 3.44Å; N33-V37 PolarHBondContact O-N 2.77Å; F34-V37 PolarHBondContact O-N 2.84Å; Y35-V37 PolarHBondContact O-N 2.81Å; Y35-V37 VanDerWaalsContact O-N 3.13Å; V37-F205 HydrophobicContact CG1-CD1 3.97Å; V37-F205 HydrophobicContact CG1-CE1 3.91Å |
| 38 | F | 92.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -71.2 | -47.2 | 177.5 | -80.5 | -96.8 | 0 | 0 | 0 | 111.4 | A17 V26 F34 Y35 G40 E41 L42 V48 V198 F205 | A17-F38 HydrophobicContact CB-CE1 3.94Å; A17-F38 HydrophobicContact CB-CE2 4.47Å; A17-F38 HydrophobicContact CB-CZ 3.73Å; V26-F38 HydrophobicContact CG1-CB 4.37Å; V26-F38 HydrophobicContact CG1-CD1 4.25Å; V26-F38 HydrophobicContact CG1-CD2 4.39Å; V26-F38 HydrophobicContact CG1-CG 4.07Å; F34-F38 HydrophobicContact CD1-CD2 4.44Å; F34-F38 HydrophobicContact CD1-CE2 4.46Å; F34-F38 HydrophobicContact CD2-CE2 4.17Å; F34-F38 HydrophobicContact CE1-CD2 4.14Å; F34-F38 AromaticContact CE1-CE2 3.85Å; F34-F38 HydrophobicContact CE1-CE2 3.85Å; F34-F38 HydrophobicContact CE2-CD2 4.29Å; F34-F38 AromaticContact CE2-CE2 3.51Å; F34-F38 HydrophobicContact CE2-CE2 3.51Å; F34-F38 HydrophobicContact CE2-CZ 4.35Å; F34-F38 HydrophobicContact CZ-CD2 4.07Å; F34-F38 AromaticContact CZ-CE2 3.33Å; F34-F38 HydrophobicContact CZ-CE2 3.33Å; F34-F38 AromaticContact CZ-CZ 3.96Å; F34-F38 HydrophobicContact CZ-CZ 3.96Å; F34-F38 WeakPolarHBondContact O-CD2 3.41Å; F34-F38 PolarHBondContact O-N 2.71Å; Y35-F38 PolarHBondContact O-N 2.91Å; F38-G40 VanDerWaalsContact C-N 3.34Å; F38-G40 PolarHBondContact O-N 3.3Å; F38-E41 PolarHBondContact O-N 2.97Å; F38-L42 HydrophobicContact CB-CD1 4.34Å; F38-L42 HydrophobicContact CD1-CD1 3.87Å; F38-L42 WeakPolarHBondContact O-CB 3.15Å; F38-L42 VanDerWaalsContact O-CG 3.27Å; F38-L42 WeakPolarHBondContact O-CG 3.42Å; F38-L42 PolarHBondContact O-N 3.38Å; F38-V48 HydrophobicContact CB-CG1 4.43Å; F38-V198 HydrophobicContact CE1-CG2 3.84Å; F38-V198 HydrophobicContact CZ-CG2 3.94Å; F38-F205 HydrophobicContact CD1-CD1 4.38Å; F38-F205 AromaticContact CD1-CD2 4Å; F38-F205 HydrophobicContact CD1-CD2 4Å; F38-F205 HydrophobicContact CD1-CE1 4.22Å; F38-F205 AromaticContact CD1-CE2 3.83Å; F38-F205 HydrophobicContact CD1-CE2 3.83Å; F38-F205 HydrophobicContact CD1-CG 4.26Å; F38-F205 AromaticContact CD1-CZ 3.94Å; F38-F205 HydrophobicContact CD1-CZ 3.94Å; F38-F205 HydrophobicContact CD2-CD1 4.46Å; F38-F205 HydrophobicContact CE1-CB 4.21Å; F38-F205 HydrophobicContact CE1-CD1 4.16Å; F38-F205 AromaticContact CE1-CD2 3.52Å; F38-F205 HydrophobicContact CE1-CD2 3.52Å; F38-F205 HydrophobicContact CE1-CE1 4.44Å; F38-F205 AromaticContact CE1-CE2 3.85Å; F38-F205 HydrophobicContact CE1-CE2 3.85Å; F38-F205 AromaticContact CE1-CG 3.68Å; F38-F205 HydrophobicContact CE1-CG 3.68Å; F38-F205 HydrophobicContact CE1-CZ 4.29Å; F38-F205 HydrophobicContact CE2-CD1 4.23Å; F38-F205 HydrophobicContact CE2-CG 4.31Å; F38-F205 HydrophobicContact CG-CE1 4.29Å; F38-F205 HydrophobicContact CG-CZ 4.33Å; F38-F205 HydrophobicContact CZ-CB 3.85Å; F38-F205 HydrophobicContact CZ-CD1 4.09Å; F38-F205 HydrophobicContact CZ-CD2 4.04Å; F38-F205 AromaticContact CZ-CG 3.71Å; F38-F205 HydrophobicContact CZ-CG 3.71Å |
| 39 | E | 91.7 | Very high | 87.9 | Confident | 75 Ų | 75 | 55.8 Ų | 55.8 | 35% | 0.35 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 178.8 | -70.3 | -177.4 | 162 | 0 | 0 | 111.7 | Y35 E41 L42 S43 V48 H50 | Y35-E39 WeakPolarHBondContact O-CB 3.47Å; Y35-E39 PolarHBondContact O-N 2.97Å; E39-E41 PolarHBondContact O-N 3.29Å; E39-L42 PolarHBondContact O-N 2.9Å; E39-S43 WeakPolarHBondContact O-CB 3.3Å; E39-S43 PolarHBondContact O-N 3.36Å; E39-S43 PolarHBondContact O-OG 3.47Å; E39-V48 HydrophobicContact CG-CB 4.09Å; E39-V48 HydrophobicContact CG-CG1 4.12Å; E39-V48 HydrophobicContact CG-CG2 4.23Å; E39-H50 IonicContact OE1-CE1 2.79Å |
| 40 | G | 90.2 | Very high | 88.5 | Confident | 54 Ų | 54 | 56.5 Ų | 56.5 | 56% | 0.557 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.1 | -30 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S36 F38 | S36-G40 WeakPolarHBondContact O-CA 3.27Å; S36-G40 PolarHBondContact O-N 3.42Å; F38-G40 VanDerWaalsContact C-N 3.34Å; F38-G40 PolarHBondContact O-N 3.3Å |
| 41 | E | 88.8 | Confident | 89.6 | Confident | 95 Ų | 95 | 55.8 Ų | 55.8 | 44% | 0.444 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -100 | -26.9 | -179.9 | -64 | -64.6 | 143.2 | 0 | 0 | 113.2 | V3 F38 E39 F205 | V3-E41 HydrophobicContact CG2-CG 4.11Å; F38-E41 PolarHBondContact O-N 2.97Å; E39-E41 PolarHBondContact O-N 3.29Å; E41-F205 HydrophobicContact CB-CE1 4.27Å; E41-F205 HydrophobicContact CB-CZ 3.87Å; E41-F205 HydrophobicContact CG-CE1 4.16Å; E41-F205 HydrophobicContact CG-CZ 4.26Å |
| 42 | L | 91.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -110.3 | -27.4 | -168.5 | -61.6 | 176.3 | 0 | 0 | 0 | 114.5 | L19 C24 F38 E39 D44 T45 I46 V48 C203 F205 | L19-L42 HydrophobicContact CD1-CD1 3.61Å; L19-L42 HydrophobicContact CD1-CD2 4.18Å; C24-L42 HydrophobicContact CB-CD1 3.8Å; F38-L42 HydrophobicContact CB-CD1 4.34Å; F38-L42 HydrophobicContact CD1-CD1 3.87Å; F38-L42 WeakPolarHBondContact O-CB 3.15Å; F38-L42 VanDerWaalsContact O-CG 3.27Å; F38-L42 WeakPolarHBondContact O-CG 3.42Å; F38-L42 PolarHBondContact O-N 3.38Å; E39-L42 PolarHBondContact O-N 2.9Å; L42-D44 PolarHBondContact O-N 3.36Å; L42-D44 VanDerWaalsContact O-N 3.07Å; L42-T45 PolarHBondContact O-N 2.88Å; L42-I46 HydrophobicContact CB-CD1 4.47Å; L42-I46 HydrophobicContact CB-CG1 3.91Å; L42-I46 HydrophobicContact CD1-CD1 4.29Å; L42-I46 HydrophobicContact CD2-CD1 3.94Å; L42-I46 HydrophobicContact CD2-CG1 4.12Å; L42-I46 HydrophobicContact CG-CD1 4.48Å; L42-I46 HydrophobicContact CG-CG1 4.43Å; L42-I46 PolarHBondContact O-N 3.27Å; L42-V48 HydrophobicContact CB-CG2 3.87Å; L42-V48 HydrophobicContact CD1-CG2 4.25Å; L42-C203 WeakPolarHBondContact CD2-SG 3.29Å; L42-F205 HydrophobicContact CD1-CE2 3.95Å; L42-F205 HydrophobicContact CD1-CZ 4.08Å; L42-F205 HydrophobicContact CD2-CE2 4.33Å; L42-F205 HydrophobicContact CD2-CZ 4.47Å; L42-F205 HydrophobicContact CG-CE2 4.2Å; L42-F205 HydrophobicContact CG-CZ 4.04Å |
| 43 | S | 85.7 | Confident | 91.2 | Very high | 74 Ų | 74 | 47.7 Ų | 47.7 | 52% | 0.517 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -27.1 | -167.4 | 58.8 | 0 | 0 | 0 | 0 | 114.1 | E39 T45 | E39-S43 WeakPolarHBondContact O-CB 3.3Å; E39-S43 PolarHBondContact O-N 3.36Å; E39-S43 PolarHBondContact O-OG 3.47Å; S43-T45 VanDerWaalsContact C-N 3.32Å |
| 44 | D | 87.9 | Confident | 91.5 | Very high | 154 Ų | 154 | 43 Ų | 43 | 82% | 0.824 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -21.9 | 176.5 | -69.6 | -26.8 | 0 | 0 | 0 | 113.4 | L42 | L42-D44 PolarHBondContact O-N 3.36Å; L42-D44 VanDerWaalsContact O-N 3.07Å |
| 45 | T | 89.5 | Confident | 91.7 | Very high | 96 Ų | 96 | 45.9 Ų | 45.9 | 59% | 0.589 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.2 | -42.4 | -171 | -49.2 | 0 | 0 | 0 | 0 | 113.3 | L42 S43 W202 | L42-T45 PolarHBondContact O-N 2.88Å; S43-T45 VanDerWaalsContact C-N 3.32Å; T45-W202 HydrophobicContact CG2-CH2 4.28Å; T45-W202 HydrophobicContact CG2-CZ2 3.82Å |
| 46 | I | 93.9 | Very high | 91.9 | Very high | 9 Ų | 9 | 46.9 Ų | 46.9 | 5% | 0.046 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -138.3 | 147 | -177.1 | 62.6 | 175.6 | 0 | 0 | 0 | 111.7 | L19 T20 N21 C24 L42 V48 W202 | L19-I46 HydrophobicContact CD1-CD1 3.81Å; T20-I46 WeakPolarHBondContact O-CD1 3.22Å; N21-I46 WeakPolarHBondContact O-CG2 3.42Å; C24-I46 HydrophobicContact CB-CD1 4.29Å; L42-I46 HydrophobicContact CB-CD1 4.47Å; L42-I46 HydrophobicContact CB-CG1 3.91Å; L42-I46 HydrophobicContact CD1-CD1 4.29Å; L42-I46 HydrophobicContact CD2-CD1 3.94Å; L42-I46 HydrophobicContact CD2-CG1 4.12Å; L42-I46 HydrophobicContact CG-CD1 4.48Å; L42-I46 HydrophobicContact CG-CG1 4.43Å; L42-I46 PolarHBondContact O-N 3.27Å; I46-V48 PolarHBondContact O-N 2.76Å; I46-W202 HydrophobicContact CD1-CZ2 4.14Å; I46-W202 HydrophobicContact CG1-CZ2 4.44Å; I46-W202 HydrophobicContact CG2-CH2 3.91Å; I46-W202 HydrophobicContact CG2-CZ2 3.97Å |
| 47 | P | 94.5 | Very high | 92 | Very high | 54 Ų | 54 | 48.6 Ų | 48.6 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | trans | -65.6 | 134.5 | 175.3 | 26.9 | -35.3 | 0 | 0 | 0 | 111.8 | T22 C24 V49 P89 | T22-P47 WeakPolarHBondContact O-CD 3.3Å; C24-P47 PolarHBondContact N-O 3.05Å; P47-V49 HydrophobicContact CB-CG2 4.49Å; P47-P89 HydrophobicContact CG-CG 4.3Å | ||
| 48 | V | 93.8 | Very high | 92.1 | Very high | 25 Ų | 25 | 49.8 Ų | 49.8 | 15% | 0.152 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 115.4 | 169.9 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | C24 V26 F38 E39 L42 I46 | C24-V48 HydrophobicContact CB-CG2 4.31Å; C24-V48 CarbonylContact O-C 3.4Å; C24-V48 WeakPolarHBondContact O-CA 3.43Å; V26-V48 HydrophobicContact CB-CG1 4.49Å; V26-V48 HydrophobicContact CG1-CG1 4.07Å; V26-V48 HydrophobicContact CG2-CG1 3.54Å; F38-V48 HydrophobicContact CB-CG1 4.43Å; E39-V48 HydrophobicContact CG-CB 4.09Å; E39-V48 HydrophobicContact CG-CG1 4.12Å; E39-V48 HydrophobicContact CG-CG2 4.23Å; L42-V48 HydrophobicContact CB-CG2 3.87Å; L42-V48 HydrophobicContact CD1-CG2 4.25Å; I46-V48 PolarHBondContact O-N 2.76Å |
| 49 | V | 93.7 | Very high | 92.2 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 117.8 | -172.1 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | C24 L25 V26 P47 A51 S87 | C24-V49 PolarHBondContact O-N 2.92Å; L25-V49 WeakPolarHBondContact CA-O 3.47Å; L25-V49 HydrophobicContact CD2-CB 3.84Å; L25-V49 HydrophobicContact CD2-CG1 4.24Å; L25-V49 HydrophobicContact CD2-CG2 4.43Å; V26-V49 WeakPolarHBondContact CG2-O 3.49Å; V26-V49 PolarHBondContact N-O 2.91Å; P47-V49 HydrophobicContact CB-CG2 4.49Å; V49-A51 PolarHBondContact O-N 3.03Å; V49-S87 VanDerWaalsContact CG1-CB 3.47Å |
| 50 | H | 93.5 | Very high | 92.3 | Very high | 63 Ų | 63 | 46.7 Ų | 46.7 | 29% | 0.292 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 113.4 | 171.2 | -58.2 | 117.9 | 0 | 0 | 0 | 110.3 | V26 I28 Y35 E39 H83 | V26-H50 WeakPolarHBondContact CG2-CD2 3.43Å; V26-H50 CarbonylContact O-C 2.89Å; V26-H50 WeakPolarHBondContact O-CA 3.28Å; I28-H50 HydrophobicContact CG1-CB 4.06Å; Y35-H50 AromaticContact CD1-CD2 3.65Å; Y35-H50 AromaticContact CD1-NE2 3.44Å; Y35-H50 WeakPolarHBondContact CD1-NE2 3.3Å; Y35-H50 AromaticContact CD2-NE2 3.97Å; Y35-H50 AromaticContact CE1-CD2 3.6Å; Y35-H50 AromaticContact CE1-NE2 3.87Å; Y35-H50 AromaticContact CG-NE2 3.49Å; E39-H50 IonicContact OE1-CE1 2.79Å; H50-H83 PolarHBondContact O-CD2 3.29Å; H50-H83 PolarHBondContact O-NE2 3.19Å |
| 51 | A | 93.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 158.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V26 A27 I28 V49 I84 | V26-A51 PolarHBondContact O-N 3.49Å; A27-A51 WeakPolarHBondContact CA-O 3.4Å; I28-A51 PolarHBondContact N-O 3.03Å; V49-A51 PolarHBondContact O-N 3.03Å; A51-I84 HydrophobicContact CB-CD1 4.1Å; A51-I84 HydrophobicContact CB-CG1 3.8Å |
| 52 | S | 94.7 | Very high | 92.8 | Very high | 28 Ų | 28 | 42.1 Ų | 42.1 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | trans | -118.5 | 153.4 | 160.3 | 61.2 | 0 | 0 | 0 | 0 | 108.4 | E80 | S52-E80 VanDerWaalsContact C-OE1 3.26Å; S52-E80 WeakPolarHBondContact CB-OE1 3.21Å; S52-E80 WeakPolarHBondContact O-CG 3.3Å; S52-E80 PolarHBondContact OG-OE1 2.97Å | ||
| 53 | I | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -128.2 | 119 | 177.6 | -63 | -179.6 | 0 | 0 | 0 | 107.3 | G55 C56 I59 M62 C63 V72 P73 T76 I84 | I53-G55 PolarHBondContact O-N 2.96Å; I53-C56 PolarHBondContact N-O 3.47Å; I53-C56 VanDerWaalsContact N-O 3.13Å; I53-C56 VanDerWaalsContact O-CB 3.29Å; I53-C56 WeakPolarHBondContact O-CB 3.36Å; I53-C56 PolarHBondContact O-N 2.58Å; I53-I59 HydrophobicContact CB-CG2 4.33Å; I53-I59 HydrophobicContact CD1-CB 4.04Å; I53-I59 HydrophobicContact CD1-CG2 4.1Å; I53-I59 HydrophobicContact CG1-CB 4.38Å; I53-I59 HydrophobicContact CG1-CG2 3.88Å; I53-M62 HydrophobicContact CB-CB 4.09Å; I53-M62 HydrophobicContact CD1-CB 4.46Å; I53-M62 HydrophobicContact CG2-CB 3.68Å; I53-M62 HydrophobicContact CG2-CG 4.36Å; I53-C63 HydrophobicContact CD1-CB 3.57Å; I53-V72 HydrophobicContact CD1-CG1 4.18Å; I53-P73 HydrophobicContact CG2-CG 3.78Å; I53-T76 HydrophobicContact CG2-CG2 4.42Å; I53-T76 WeakPolarHBondContact CG2-OG1 3.38Å; I53-I84 HydrophobicContact CG1-CD1 4.36Å |
| 54 | A | 92.6 | Very high | 93.5 | Very high | 24 Ų | 24 | 38.6 Ų | 38.6 | 20% | 0.198 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 39.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C56 N75 E80 | A54-C56 PolarHBondContact O-N 2.89Å; A54-C56 VanDerWaalsContact O-N 3.13Å; A54-N75 HydrophobicContact CB-CB 4.09Å; A54-N75 WeakPolarHBondContact CB-ND2 3.37Å; A54-N75 WeakPolarHBondContact CB-O 3.43Å; A54-N75 WeakPolarHBondContact CB-OD1 3.3Å; A54-E80 PolarHBondContact N-OE1 3.35Å; A54-E80 PolarHBondContact N-OE2 3.27Å |
| 55 | G | 91.9 | Very high | 93.9 | Very high | 63 Ų | 63 | 31.5 Ų | 31.5 | 65% | 0.649 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 6.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | I53 E80 | I53-G55 PolarHBondContact O-N 2.96Å; G55-E80 WeakPolarHBondContact CA-OE1 3.29Å; G55-E80 PolarHBondContact N-OE1 3.24Å |
| 56 | C | 92.9 | Very high | 94.2 | Very high | 51 Ų | 51 | 27.1 Ų | 27.1 | 35% | 0.345 | 16% | 0.162 | S | C | . | . | B | Isolated β-bridge | trans | -102.3 | 145.6 | -176.8 | -68.9 | 0 | 0 | 0 | 0 | 111.8 | I53 A54 I58 | I53-C56 PolarHBondContact N-O 3.47Å; I53-C56 VanDerWaalsContact N-O 3.13Å; I53-C56 VanDerWaalsContact O-CB 3.29Å; I53-C56 WeakPolarHBondContact O-CB 3.36Å; I53-C56 PolarHBondContact O-N 2.58Å; A54-C56 PolarHBondContact O-N 2.89Å; A54-C56 VanDerWaalsContact O-N 3.13Å; C56-I58 HydrophobicContact CB-CG1 3.91Å |
| 57 | R | 92.7 | Very high | 94.3 | Very high | 106 Ų | 106 | 31.5 Ų | 31.5 | 40% | 0.4 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -82.3 | -15 | 173.9 | -65.1 | -172.6 | -68.9 | 163.7 | 5.7 | 112.8 | E8 F16 A27 I28 I59 | E8-R57 VanDerWaalsContact CD-NH1 3.28Å; E8-R57 IonicContact OE1-NH1 3.39Å; E8-R57 PolarHBondContact OE1-NH1 2.73Å; E8-R57 IonicContact OE2-CZ 3.6Å; E8-R57 IonicContact OE2-NH1 2.71Å; E8-R57 PolarHBondContact OE2-NH1 3.24Å; E8-R57 IonicContact OE2-NH2 3.03Å; E8-R57 PolarHBondContact OE2-NH2 3Å; F16-R57 HydrophobicContact CD1-CB 4.36Å; A27-R57 HydrophobicContact CB-CB 4.02Å; A27-R57 WeakPolarHBondContact CB-O 3.46Å; I28-R57 VanDerWaalsContact O-CD 3.26Å; I28-R57 WeakPolarHBondContact O-CD 3.47Å; I28-R57 WeakPolarHBondContact O-CG 3.26Å; R57-I59 PolarHBondContact O-N 2.86Å |
| 58 | I | 93.8 | Very high | 94.3 | Very high | 68 Ų | 68 | 30.5 Ų | 30.5 | 35% | 0.349 | 17% | 0.168 | S | C | . | . | trans | -79.9 | 50 | -176.8 | 53.1 | 161.5 | 0 | 0 | 0 | 112.7 | C15 F16 C56 G60 R61 M62 | C15-I58 HydrophobicContact CB-CG2 4.41Å; C15-I58 CarbonylContact O-C 3.58Å; C15-I58 WeakPolarHBondContact O-CA 3.47Å; F16-I58 HydrophobicContact CE1-CG2 4.15Å; C56-I58 HydrophobicContact CB-CG1 3.91Å; I58-G60 VanDerWaalsContact C-N 3.29Å; I58-G60 PolarHBondContact O-N 3.36Å; I58-R61 HydrophobicContact CB-CB 4.32Å; I58-R61 HydrophobicContact CB-CG 4.27Å; I58-R61 HydrophobicContact CD1-CB 4.31Å; I58-R61 WeakPolarHBondContact O-CB 3.15Å; I58-R61 PolarHBondContact O-N 3.34Å; I58-M62 HydrophobicContact CD1-CG 4.43Å; I58-M62 HydrophobicContact CD1-SD 4.04Å; I58-M62 HydrophobicContact CG1-CG 4.12Å; I58-M62 HydrophobicContact CG1-SD 4.34Å; I58-M62 WeakPolarHBondContact O-CG 3.39Å; I58-M62 PolarHBondContact O-N 2.83Å | ||
| 59 | I | 93.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.6 | -37.5 | -170.8 | 56.9 | 162.6 | 0 | 0 | 0 | 113.4 | C15 F16 L25 V26 A27 I53 R57 R61 M62 C63 | C15-I59 PolarHBondContact O-N 3.46Å; C15-I59 VanDerWaalsContact O-N 3.14Å; F16-I59 WeakPolarHBondContact O-CD1 3.48Å; F16-I59 VanDerWaalsContact O-CG1 3.3Å; F16-I59 WeakPolarHBondContact O-CG1 3.47Å; L25-I59 HydrophobicContact CB-CD1 3.6Å; L25-I59 VanDerWaalsContact O-CD1 3.3Å; L25-I59 WeakPolarHBondContact O-CD1 3.36Å; V26-I59 VanDerWaalsContact CA-CD1 3.47Å; A27-I59 HydrophobicContact CB-CG1 4.43Å; I53-I59 HydrophobicContact CB-CG2 4.33Å; I53-I59 HydrophobicContact CD1-CB 4.04Å; I53-I59 HydrophobicContact CD1-CG2 4.1Å; I53-I59 HydrophobicContact CG1-CB 4.38Å; I53-I59 HydrophobicContact CG1-CG2 3.88Å; R57-I59 PolarHBondContact O-N 2.86Å; I59-R61 PolarHBondContact O-N 3.02Å; I59-M62 PolarHBondContact O-N 2.91Å; I59-M62 VanDerWaalsContact O-N 3.1Å; I59-C63 PolarHBondContact O-N 2.88Å; I59-C63 PolarHBondContact O-SG 2.82Å |
| 60 | G | 94.7 | Very high | 94.6 | Very high | 9 Ų | 9 | 29 Ų | 29 | 9% | 0.093 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.4 | -21.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | G14 C15 A17 I58 | G14-G60 WeakPolarHBondContact O-CA 3.04Å; C15-G60 PolarHBondContact O-N 2.96Å; A17-G60 WeakPolarHBondContact O-CA 3.4Å; I58-G60 VanDerWaalsContact C-N 3.29Å; I58-G60 PolarHBondContact O-N 3.36Å |
| 61 | R | 95.1 | Very high | 94.8 | Very high | 40 Ų | 40 | 26 Ų | 26 | 15% | 0.151 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -84.5 | -31.2 | 172.9 | -58.2 | -67.3 | -172.8 | 147.1 | 9.8 | 112.6 | C15 I58 I59 A103 G105 N106 S150 | C15-R61 HydrophobicContact CB-CG 4.13Å; C15-R61 PolarHBondContact SG-NE 2.89Å; C15-R61 PolarHBondContact SG-NH2 2.64Å; C15-R61 VanDerWaalsContact SG-NH2 3.44Å; I58-R61 HydrophobicContact CB-CB 4.32Å; I58-R61 HydrophobicContact CB-CG 4.27Å; I58-R61 HydrophobicContact CD1-CB 4.31Å; I58-R61 WeakPolarHBondContact O-CB 3.15Å; I58-R61 PolarHBondContact O-N 3.34Å; I59-R61 PolarHBondContact O-N 3.02Å; R61-A103 CarbonylContact O-C 3.59Å; R61-A103 VanDerWaalsContact O-C 3.25Å; R61-A103 WeakPolarHBondContact O-CA 3.48Å; R61-G105 WeakPolarHBondContact O-CA 3.4Å; R61-G105 PolarHBondContact O-N 3.47Å; R61-N106 WeakPolarHBondContact CD-OD1 3.12Å; R61-N106 PolarHBondContact NH1-OD1 3.26Å; R61-S150 PolarHBondContact NH1-OG 3.21Å |
| 62 | M | 95.2 | Very high | 94.9 | Very high | 14 Ų | 14 | 26 Ų | 26 | 7% | 0.069 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -85 | -32.5 | -174.5 | -60 | -55.6 | -63.2 | 0 | 0 | 112.4 | I53 I58 I59 P73 L104 | I53-M62 HydrophobicContact CB-CB 4.09Å; I53-M62 HydrophobicContact CD1-CB 4.46Å; I53-M62 HydrophobicContact CG2-CB 3.68Å; I53-M62 HydrophobicContact CG2-CG 4.36Å; I58-M62 HydrophobicContact CD1-CG 4.43Å; I58-M62 HydrophobicContact CD1-SD 4.04Å; I58-M62 HydrophobicContact CG1-CG 4.12Å; I58-M62 HydrophobicContact CG1-SD 4.34Å; I58-M62 WeakPolarHBondContact O-CG 3.39Å; I58-M62 PolarHBondContact O-N 2.83Å; I59-M62 PolarHBondContact O-N 2.91Å; I59-M62 VanDerWaalsContact O-N 3.1Å; M62-P73 HydrophobicContact CB-CG 4.42Å; M62-P73 HydrophobicContact CE-CG 3.82Å; M62-P73 WeakPolarHBondContact O-CD 3.41Å; M62-L104 WeakPolarHBondContact O-CB 3.37Å |
| 63 | C | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -117.9 | 156.6 | -174.2 | 71.6 | 0 | 0 | 0 | 0 | 114.1 | I53 I59 L70 L71 V72 | I53-C63 HydrophobicContact CD1-CB 3.57Å; I59-C63 PolarHBondContact O-N 2.88Å; I59-C63 PolarHBondContact O-SG 2.82Å; C63-L70 HydrophobicContact CB-CD1 4Å; C63-L71 WeakPolarHBondContact CA-O 3.12Å; C63-L71 VanDerWaalsContact CB-O 3.24Å; C63-L71 WeakPolarHBondContact CB-O 2.9Å; C63-V72 HydrophobicContact CB-CG1 4.22Å | ||
| 64 | V | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 140.6 | 170.1 | 61 | 0 | 0 | 0 | 0 | 108.4 | L71 L104 T108 C110 L129 L133 | V64-L71 HydrophobicContact CG1-CB 3.84Å; V64-L71 HydrophobicContact CG1-CD1 4.19Å; V64-L71 HydrophobicContact CG1-CG 4.47Å; V64-L71 PolarHBondContact N-O 3.36Å; V64-L71 PolarHBondContact O-N 3.01Å; V64-L104 HydrophobicContact CG1-CB 4.16Å; V64-T108 HydrophobicContact CB-CG2 4.49Å; V64-T108 HydrophobicContact CG1-CG2 4.47Å; V64-T108 HydrophobicContact CG2-CG2 3.84Å; V64-C110 VanDerWaalsContact CG2-SG 3.5Å; V64-L129 HydrophobicContact CG1-CD2 3.96Å; V64-L133 HydrophobicContact CG2-CD1 4.21Å |
| 65 | G | 95.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 4% | 0.041 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.8 | 157.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | G69 | G65-G69 CarbonylContact C-O 3.49Å; G65-G69 WeakPolarHBondContact CA-O 3.09Å |
| 66 | N | 96 | Very high | 95.1 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.021 | 14% | 0.14 | C | C | . | . | trans | -139.8 | -165.4 | 178.2 | 73.5 | -5 | 0 | 0 | 0 | 108.7 | Y23 H68 G69 N111 D112 L133 V135 | Y23-N66 WeakPolarHBondContact CE1-O 3.33Å; Y23-N66 PolarHBondContact OH-O 3.41Å; N66-H68 PolarHBondContact O-N 2.92Å; N66-H68 VanDerWaalsContact O-N 3.13Å; N66-H68 WeakPolarHBondContact OD1-CA 3.34Å; N66-H68 WeakPolarHBondContact OD1-CB 3.32Å; N66-H68 PolarHBondContact OD1-N 3Å; N66-G69 PolarHBondContact N-O 2.87Å; N66-G69 PolarHBondContact OD1-N 2.93Å; N66-G69 VanDerWaalsContact OD1-N 3.11Å; N66-N111 PolarHBondContact ND2-O 3.39Å; N66-D112 WeakPolarHBondContact CB-OD1 3.38Å; N66-L133 PolarHBondContact ND2-O 2.97Å; N66-V135 WeakPolarHBondContact ND2-CG1 3.14Å | ||
| 67 | R | 95.3 | Very high | 95.2 | Very high | 101 Ų | 101 | 29.6 Ų | 29.6 | 38% | 0.381 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -64.8 | -16.4 | -179.5 | 76.8 | -179.2 | -178.5 | 131.4 | 3.2 | 115.5 | N21 T22 D112 | N21-R67 HydrophobicContact CB-CB 4.36Å; T22-R67 HydrophobicContact CG2-CB 3.69Å; T22-R67 WeakPolarHBondContact OG1-CA 3.48Å; R67-D112 WeakPolarHBondContact CB-OD1 3.28Å; R67-D112 VanDerWaalsContact CD-CG 3.49Å; R67-D112 WeakPolarHBondContact CD-OD2 3.38Å; R67-D112 HydrophobicContact CG-CB 4.12Å; R67-D112 VanDerWaalsContact CG-OD1 3.27Å; R67-D112 WeakPolarHBondContact CG-OD1 3.36Å; R67-D112 PolarHBondContact N-OD1 3.1Å |
| 68 | H | 95.7 | Very high | 95.3 | Very high | 34 Ų | 34 | 29.6 Ų | 29.6 | 16% | 0.157 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -100.7 | -32.5 | -172 | -65.9 | -51.5 | 0 | 0 | 0 | 113 | N66 V92 Q93 L133 K134 | N66-H68 PolarHBondContact O-N 2.92Å; N66-H68 VanDerWaalsContact O-N 3.13Å; N66-H68 WeakPolarHBondContact OD1-CA 3.34Å; N66-H68 WeakPolarHBondContact OD1-CB 3.32Å; N66-H68 PolarHBondContact OD1-N 3Å; H68-V92 WeakPolarHBondContact O-CA 3.36Å; H68-Q93 PolarHBondContact O-N 2.85Å; H68-L133 WeakPolarHBondContact CB-O 3.46Å; H68-L133 PolarHBondContact CD2-O 2.84Å; H68-K134 HydrophobicContact CB-CB 4.41Å; H68-K134 HydrophobicContact CB-CD 4.23Å; H68-K134 HydrophobicContact CB-CG 4.26Å |
| 69 | G | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 166.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y23 G65 N66 Q93 L133 | Y23-G69 PolarHBondContact OH-O 2.64Å; Y23-G69 VanDerWaalsContact OH-O 3.08Å; G65-G69 CarbonylContact C-O 3.49Å; G65-G69 WeakPolarHBondContact CA-O 3.09Å; N66-G69 PolarHBondContact N-O 2.87Å; N66-G69 PolarHBondContact OD1-N 2.93Å; N66-G69 VanDerWaalsContact OD1-N 3.11Å; G69-Q93 CarbonylContact C-O 3.56Å; G69-Q93 WeakPolarHBondContact CA-O 3.43Å; G69-L133 WeakPolarHBondContact O-CD2 3.49Å |
| 70 | L | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 125.4 | 175.5 | -178.6 | 69.9 | 0 | 0 | 0 | 109.2 | Y23 L25 C63 V72 I84 L88 Q93 I94 R95 | Y23-L70 HydrophobicContact CE2-CD1 4.19Å; Y23-L70 WeakPolarHBondContact OH-CB 3.44Å; L25-L70 HydrophobicContact CD1-CD1 3.81Å; L25-L70 HydrophobicContact CD1-CD2 3.68Å; L25-L70 HydrophobicContact CD1-CG 4.42Å; C63-L70 HydrophobicContact CB-CD1 4Å; L70-V72 HydrophobicContact CD2-CG1 4.07Å; L70-V72 HydrophobicContact CG-CG1 4.07Å; L70-I84 HydrophobicContact CD2-CG2 3.62Å; L70-L88 HydrophobicContact CB-CD1 4.35Å; L70-L88 HydrophobicContact CD2-CD1 3.98Å; L70-Q93 PolarHBondContact N-O 3.05Å; L70-I94 HydrophobicContact CB-CG1 4.31Å; L70-I94 HydrophobicContact CD2-CD1 3.89Å; L70-I94 HydrophobicContact CD2-CG1 4.2Å; L70-I94 HydrophobicContact CG-CG1 4.48Å; L70-I94 WeakPolarHBondContact O-CA 3.26Å; L70-R95 PolarHBondContact O-N 3.03Å |
| 71 | L | 96.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 131.1 | 172.4 | -61.8 | 178.3 | 0 | 0 | 0 | 110.4 | C63 V64 R95 V97 L104 I128 L129 V132 L133 | C63-L71 WeakPolarHBondContact CA-O 3.12Å; C63-L71 VanDerWaalsContact CB-O 3.24Å; C63-L71 WeakPolarHBondContact CB-O 2.9Å; V64-L71 HydrophobicContact CG1-CB 3.84Å; V64-L71 HydrophobicContact CG1-CD1 4.19Å; V64-L71 HydrophobicContact CG1-CG 4.47Å; V64-L71 PolarHBondContact N-O 3.36Å; V64-L71 PolarHBondContact O-N 3.01Å; L71-R95 WeakPolarHBondContact CA-O 3.39Å; L71-R95 HydrophobicContact CD2-CB 3.82Å; L71-V97 HydrophobicContact CB-CG2 4.06Å; L71-V97 HydrophobicContact CD1-CG2 4.14Å; L71-V97 HydrophobicContact CD2-CG2 3.79Å; L71-V97 HydrophobicContact CG-CG2 4.23Å; L71-L104 HydrophobicContact CB-CD1 4.13Å; L71-I128 HydrophobicContact CD2-CG2 4.06Å; L71-L129 HydrophobicContact CD1-CB 4.36Å; L71-L129 HydrophobicContact CD1-CD2 3.26Å; L71-L129 HydrophobicContact CD1-CG 3.64Å; L71-V132 HydrophobicContact CD2-CB 3.84Å; L71-V132 HydrophobicContact CD2-CG1 3.65Å; L71-V132 HydrophobicContact CD2-CG2 3.97Å; L71-V132 HydrophobicContact CG-CG1 4.27Å; L71-L133 HydrophobicContact CD1-CD1 4.43Å; L71-L133 HydrophobicContact CD1-CG 4.34Å; L71-L133 HydrophobicContact CG-CD2 4.46Å |
| 72 | V | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 151.7 | 178.9 | -60 | 0 | 0 | 0 | 0 | 109.2 | I53 C63 L70 T76 L81 R95 R96 V97 | I53-V72 HydrophobicContact CD1-CG1 4.18Å; C63-V72 HydrophobicContact CB-CG1 4.22Å; L70-V72 HydrophobicContact CD2-CG1 4.07Å; L70-V72 HydrophobicContact CG-CG1 4.07Å; V72-T76 HydrophobicContact CB-CG2 4.43Å; V72-T76 HydrophobicContact CG2-CG2 4.18Å; V72-L81 HydrophobicContact CG2-CD1 3.74Å; V72-R95 PolarHBondContact N-O 2.9Å; V72-R96 HydrophobicContact CG2-CG 3.8Å; V72-R96 CarbonylContact O-C 3.47Å; V72-R96 VanDerWaalsContact O-CA 3.3Å; V72-R96 WeakPolarHBondContact O-CA 3.24Å; V72-V97 PolarHBondContact O-N 2.82Å |
| 73 | P | 95.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.013 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 157.8 | -178.9 | 30.5 | -37.9 | 0 | 0 | 0 | 111.6 | I53 M62 N75 T76 S102 | I53-P73 HydrophobicContact CG2-CG 3.78Å; M62-P73 HydrophobicContact CB-CG 4.42Å; M62-P73 HydrophobicContact CE-CG 3.82Å; M62-P73 WeakPolarHBondContact O-CD 3.41Å; P73-N75 WeakPolarHBondContact CB-OD1 3.5Å; P73-N75 WeakPolarHBondContact CG-OD1 3.37Å; P73-N75 PolarHBondContact O-N 2.96Å; P73-N75 VanDerWaalsContact O-N 3.15Å; P73-T76 WeakPolarHBondContact CD-OG1 3.47Å; P73-T76 VanDerWaalsContact O-CB 3.28Å; P73-T76 WeakPolarHBondContact O-CB 3.32Å; P73-T76 PolarHBondContact O-N 3.13Å; P73-T76 PolarHBondContact O-OG1 3.44Å; P73-S102 WeakPolarHBondContact CB-O 3.38Å |
| 74 | N | 93.9 | Very high | 95.5 | Very high | 84 Ų | 84 | 40.9 Ų | 40.9 | 45% | 0.449 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -26.8 | -177.8 | -168.3 | 32.9 | 0 | 0 | 0 | 114.1 | T76 V97 E98 | N74-T76 PolarHBondContact O-N 3.22Å; N74-V97 WeakPolarHBondContact CB-O 3.08Å; N74-V97 PolarHBondContact N-O 2.84Å; N74-E98 HydrophobicContact CB-CB 4.44Å |
| 75 | N | 93.4 | Very high | 95.4 | Very high | 86 Ų | 86 | 46.1 Ų | 46.1 | 46% | 0.46 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 0.9 | 176.6 | 63.7 | -11.2 | 0 | 0 | 0 | 114.1 | A54 P73 T77 | A54-N75 HydrophobicContact CB-CB 4.09Å; A54-N75 WeakPolarHBondContact CB-ND2 3.37Å; A54-N75 WeakPolarHBondContact CB-O 3.43Å; A54-N75 WeakPolarHBondContact CB-OD1 3.3Å; P73-N75 WeakPolarHBondContact CB-OD1 3.5Å; P73-N75 WeakPolarHBondContact CG-OD1 3.37Å; P73-N75 PolarHBondContact O-N 2.96Å; P73-N75 VanDerWaalsContact O-N 3.15Å; N75-T77 PolarHBondContact O-N 2.71Å |
| 76 | T | 94.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.012 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -67.3 | 126.4 | 172.1 | -50.9 | 0 | 0 | 0 | 0 | 110 | I53 V72 P73 N74 E80 R96 | I53-T76 HydrophobicContact CG2-CG2 4.42Å; I53-T76 WeakPolarHBondContact CG2-OG1 3.38Å; V72-T76 HydrophobicContact CB-CG2 4.43Å; V72-T76 HydrophobicContact CG2-CG2 4.18Å; P73-T76 WeakPolarHBondContact CD-OG1 3.47Å; P73-T76 VanDerWaalsContact O-CB 3.28Å; P73-T76 WeakPolarHBondContact O-CB 3.32Å; P73-T76 PolarHBondContact O-N 3.13Å; P73-T76 PolarHBondContact O-OG1 3.44Å; N74-T76 PolarHBondContact O-N 3.22Å; T76-E80 HydrophobicContact CG2-CB 3.87Å; T76-R96 PolarHBondContact O-NH1 3.25Å |
| 77 | T | 95.4 | Very high | 95.3 | Very high | 66 Ų | 66 | 53.3 Ų | 53.3 | 41% | 0.405 | 26% | 0.262 | S | S | . | . | trans | -69.4 | 153.7 | -177.8 | 66.1 | 0 | 0 | 0 | 0 | 111.5 | N75 Q79 E80 L81 | N75-T77 PolarHBondContact O-N 2.71Å; T77-Q79 PolarHBondContact O-N 2.83Å; T77-E80 PolarHBondContact N-OE2 2.78Å; T77-E80 PolarHBondContact O-N 2.67Å; T77-E80 WeakPolarHBondContact OG1-CB 3.32Å; T77-E80 VanDerWaalsContact OG1-CD 3.26Å; T77-E80 WeakPolarHBondContact OG1-CG 3.24Å; T77-E80 PolarHBondContact OG1-N 3.34Å; T77-E80 PolarHBondContact OG1-OE2 3.46Å; T77-L81 WeakPolarHBondContact O-CB 3.49Å; T77-L81 PolarHBondContact O-N 2.89Å | ||
| 78 | D | 95.1 | Very high | 95.2 | Very high | 106 Ų | 106 | 49 Ų | 49 | 57% | 0.567 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.1 | -30.8 | 178 | -65.3 | -40.5 | 0 | 0 | 0 | 112.3 | Q82 R96 | D78-Q82 VanDerWaalsContact O-CB 3.32Å; D78-Q82 WeakPolarHBondContact O-CB 3.48Å; D78-Q82 PolarHBondContact O-N 3.46Å; D78-R96 IonicContact OD1-CZ 3.6Å; D78-R96 VanDerWaalsContact OD1-CZ 3.23Å; D78-R96 IonicContact OD1-NH1 3.95Å; D78-R96 PolarHBondContact OD1-NH1 2.9Å; D78-R96 IonicContact OD1-NH2 3.46Å; D78-R96 PolarHBondContact OD1-NH2 2.84Å |
| 79 | Q | 95.7 | Very high | 95.1 | Very high | 168 Ų | 168 | 49.3 Ų | 49.3 | 79% | 0.785 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -67.2 | -47.4 | 175.8 | -68.8 | -177.7 | -9.6 | 0 | 0 | 111.7 | T77 L81 Q82 H83 | T77-Q79 PolarHBondContact O-N 2.83Å; Q79-L81 VanDerWaalsContact C-N 3.34Å; Q79-Q82 PolarHBondContact O-N 3.43Å; Q79-H83 WeakPolarHBondContact O-CB 3.45Å; Q79-H83 PolarHBondContact O-N 3.39Å |
| 80 | E | 95.9 | Very high | 94.8 | Very high | 18 Ų | 18 | 57.6 Ų | 57.6 | 8% | 0.084 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 174.2 | -72.6 | 167.4 | 145.2 | 0 | 0 | 110.8 | S52 A54 G55 T76 T77 Q82 H83 I84 | S52-E80 VanDerWaalsContact C-OE1 3.26Å; S52-E80 WeakPolarHBondContact CB-OE1 3.21Å; S52-E80 WeakPolarHBondContact O-CG 3.3Å; S52-E80 PolarHBondContact OG-OE1 2.97Å; A54-E80 PolarHBondContact N-OE1 3.35Å; A54-E80 PolarHBondContact N-OE2 3.27Å; G55-E80 WeakPolarHBondContact CA-OE1 3.29Å; G55-E80 PolarHBondContact N-OE1 3.24Å; T76-E80 HydrophobicContact CG2-CB 3.87Å; T77-E80 PolarHBondContact N-OE2 2.78Å; T77-E80 PolarHBondContact O-N 2.67Å; T77-E80 WeakPolarHBondContact OG1-CB 3.32Å; T77-E80 VanDerWaalsContact OG1-CD 3.26Å; T77-E80 WeakPolarHBondContact OG1-CG 3.24Å; T77-E80 PolarHBondContact OG1-N 3.34Å; T77-E80 PolarHBondContact OG1-OE2 3.46Å; E80-Q82 VanDerWaalsContact C-N 3.34Å; E80-Q82 PolarHBondContact O-N 3.13Å; E80-H83 PolarHBondContact O-N 3.07Å; E80-I84 VanDerWaalsContact O-CG1 3.28Å; E80-I84 WeakPolarHBondContact O-CG1 3.48Å; E80-I84 PolarHBondContact O-N 3.02Å |
| 81 | L | 94.7 | Very high | 94.6 | Very high | 12 Ų | 12 | 62.8 Ų | 62.8 | 6% | 0.063 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 179.8 | -169.6 | 74.2 | 0 | 0 | 0 | 111.9 | V72 T77 Q79 R85 I94 R96 | V72-L81 HydrophobicContact CG2-CD1 3.74Å; T77-L81 WeakPolarHBondContact O-CB 3.49Å; T77-L81 PolarHBondContact O-N 2.89Å; Q79-L81 VanDerWaalsContact C-N 3.34Å; L81-R85 VanDerWaalsContact O-CB 3.3Å; L81-R85 WeakPolarHBondContact O-CB 3.28Å; L81-R85 PolarHBondContact O-N 3.11Å; L81-I94 HydrophobicContact CD1-CD1 3.58Å; L81-I94 HydrophobicContact CD1-CG1 3.82Å; L81-I94 HydrophobicContact CG-CD1 4.49Å; L81-R96 HydrophobicContact CD1-CG 4.19Å; L81-R96 HydrophobicContact CD2-CG 4.36Å |
| 82 | Q | 95.5 | Very high | 94.5 | Very high | 90 Ų | 90 | 63.4 Ų | 63.4 | 42% | 0.421 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.4 | -41.3 | 178.4 | -171.4 | 61.7 | 39.5 | 0 | 0 | 111.9 | D78 Q79 E80 R85 N86 | D78-Q82 VanDerWaalsContact O-CB 3.32Å; D78-Q82 WeakPolarHBondContact O-CB 3.48Å; D78-Q82 PolarHBondContact O-N 3.46Å; Q79-Q82 PolarHBondContact O-N 3.43Å; E80-Q82 VanDerWaalsContact C-N 3.34Å; E80-Q82 PolarHBondContact O-N 3.13Å; Q82-R85 PolarHBondContact O-N 3.22Å; Q82-N86 PolarHBondContact NE2-OD1 3.1Å; Q82-N86 WeakPolarHBondContact O-CB 3.34Å; Q82-N86 PolarHBondContact O-N 3.13Å; Q82-N86 PolarHBondContact O-ND2 3.34Å |
| 83 | H | 95.3 | Very high | 94.4 | Very high | 81 Ų | 81 | 67.7 Ų | 67.7 | 38% | 0.375 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.4 | -48.2 | 176.4 | 173.9 | 61.8 | 0 | 0 | 0 | 111.8 | H50 Q79 E80 N86 S87 | H50-H83 PolarHBondContact O-CD2 3.29Å; H50-H83 PolarHBondContact O-NE2 3.19Å; Q79-H83 WeakPolarHBondContact O-CB 3.45Å; Q79-H83 PolarHBondContact O-N 3.39Å; E80-H83 PolarHBondContact O-N 3.07Å; H83-N86 PolarHBondContact O-N 3.45Å; H83-S87 PolarHBondContact O-N 3.1Å; H83-S87 PolarHBondContact O-OG 3.08Å |
| 84 | I | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.1 | -48.2 | 177.2 | -62 | 166 | 0 | 0 | 0 | 109.7 | L25 A51 I53 L70 E80 N86 S87 L88 I94 | L25-I84 HydrophobicContact CD2-CG2 4.36Å; A51-I84 HydrophobicContact CB-CD1 4.1Å; A51-I84 HydrophobicContact CB-CG1 3.8Å; I53-I84 HydrophobicContact CG1-CD1 4.36Å; L70-I84 HydrophobicContact CD2-CG2 3.62Å; E80-I84 VanDerWaalsContact O-CG1 3.28Å; E80-I84 WeakPolarHBondContact O-CG1 3.48Å; E80-I84 PolarHBondContact O-N 3.02Å; I84-N86 VanDerWaalsContact C-N 3.28Å; I84-N86 PolarHBondContact O-N 2.99Å; I84-S87 PolarHBondContact O-N 3.48Å; I84-L88 HydrophobicContact CG2-CD1 3.54Å; I84-L88 HydrophobicContact CG2-CG 3.84Å; I84-L88 VanDerWaalsContact O-CG 3.29Å; I84-L88 WeakPolarHBondContact O-CG 3.12Å; I84-L88 PolarHBondContact O-N 2.78Å; I84-I94 HydrophobicContact CB-CD1 3.84Å; I84-I94 HydrophobicContact CG2-CD1 3.53Å |
| 85 | R | 94.3 | Very high | 94.4 | Very high | 110 Ų | 110 | 68.6 Ų | 68.6 | 42% | 0.415 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -56.4 | -40.2 | 179.7 | -176.3 | 176.3 | -80.6 | 117 | -2.7 | 112.9 | L81 Q82 S87 I94 | L81-R85 VanDerWaalsContact O-CB 3.3Å; L81-R85 WeakPolarHBondContact O-CB 3.28Å; L81-R85 PolarHBondContact O-N 3.11Å; Q82-R85 PolarHBondContact O-N 3.22Å; R85-S87 VanDerWaalsContact C-N 3.26Å; R85-S87 PolarHBondContact O-N 2.95Å; R85-I94 HydrophobicContact CB-CG2 3.96Å; R85-I94 HydrophobicContact CG-CG2 4.11Å; R85-I94 PolarHBondContact NH2-O 3.42Å |
| 86 | N | 94.8 | Very high | 94.5 | Very high | 117 Ų | 117 | 68.9 Ų | 68.9 | 63% | 0.626 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -71.8 | -21.4 | 179.7 | -70.9 | -11.7 | 0 | 0 | 0 | 113.6 | Q82 H83 I84 | Q82-N86 PolarHBondContact NE2-OD1 3.1Å; Q82-N86 WeakPolarHBondContact O-CB 3.34Å; Q82-N86 PolarHBondContact O-N 3.13Å; Q82-N86 PolarHBondContact O-ND2 3.34Å; H83-N86 PolarHBondContact O-N 3.45Å; I84-N86 VanDerWaalsContact C-N 3.28Å; I84-N86 PolarHBondContact O-N 2.99Å |
| 87 | S | 93.8 | Very high | 94.4 | Very high | 42 Ų | 42 | 68.9 Ų | 68.9 | 29% | 0.294 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -100.1 | -17.4 | -174.9 | -51.7 | 0 | 0 | 0 | 0 | 112.8 | V49 H83 I84 R85 | V49-S87 VanDerWaalsContact CG1-CB 3.47Å; H83-S87 PolarHBondContact O-N 3.1Å; H83-S87 PolarHBondContact O-OG 3.08Å; I84-S87 PolarHBondContact O-N 3.48Å; R85-S87 VanDerWaalsContact C-N 3.26Å; R85-S87 PolarHBondContact O-N 2.95Å |
| 88 | L | 93.9 | Very high | 94.2 | Very high | 11 Ų | 11 | 73.2 Ų | 73.2 | 6% | 0.058 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -82.4 | 153.2 | 177.4 | -71.1 | 179.8 | 0 | 0 | 0 | 111.5 | Y23 L25 L70 I84 V92 | Y23-L88 HydrophobicContact CD1-CD2 3.74Å; Y23-L88 HydrophobicContact CD2-CD2 3.43Å; Y23-L88 VanDerWaalsContact CD2-CD2 3.43Å; Y23-L88 HydrophobicContact CE1-CD2 4.27Å; Y23-L88 HydrophobicContact CE2-CD2 3.98Å; Y23-L88 HydrophobicContact CG-CD2 3.3Å; L25-L88 HydrophobicContact CD2-CD2 4.28Å; L70-L88 HydrophobicContact CB-CD1 4.35Å; L70-L88 HydrophobicContact CD2-CD1 3.98Å; I84-L88 HydrophobicContact CG2-CD1 3.54Å; I84-L88 HydrophobicContact CG2-CG 3.84Å; I84-L88 VanDerWaalsContact O-CG 3.29Å; I84-L88 WeakPolarHBondContact O-CG 3.12Å; I84-L88 PolarHBondContact O-N 2.78Å; L88-V92 HydrophobicContact CB-CB 4.44Å; L88-V92 HydrophobicContact CD1-CG1 3.98Å |
| 89 | P | 93 | Very high | 94 | Very high | 40 Ų | 40 | 69 Ų | 69 | 26% | 0.26 | 34% | 0.337 | S | S | . | . | trans | -58.4 | 144 | 169.4 | -20.1 | 31.2 | 0 | 0 | 0 | 111.6 | P47 T91 V92 | P47-P89 HydrophobicContact CG-CG 4.3Å; P89-T91 PolarHBondContact O-N 3.08Å; P89-V92 HydrophobicContact CB-CG2 4.2Å; P89-V92 HydrophobicContact CG-CG2 4.23Å; P89-V92 WeakPolarHBondContact O-CB 3.15Å; P89-V92 PolarHBondContact O-N 2.68Å | ||
| 90 | D | 90.4 | Very high | 93.7 | Very high | 173 Ų | 173 | 69.4 Ų | 69.4 | 93% | 0.925 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -22 | -178.8 | -67.1 | -31.9 | 0 | 0 | 0 | 113.9 | V92 | D90-V92 VanDerWaalsContact C-N 3.25Å; D90-V92 PolarHBondContact O-N 3.02Å |
| 91 | T | 91.9 | Very high | 93.3 | Very high | 110 Ų | 110 | 70.4 Ų | 70.4 | 68% | 0.675 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -15.8 | 177.4 | 55.5 | 0 | 0 | 0 | 0 | 113.5 | P89 | P89-T91 PolarHBondContact O-N 3.08Š|
| 92 | V | 95.1 | Very high | 92.7 | Very high | 14 Ų | 14 | 72.6 Ų | 72.6 | 9% | 0.085 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -93.4 | 116 | -174.7 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | Y23 H68 L88 P89 D90 | Y23-V92 HydrophobicContact CD1-CG1 4.14Å; Y23-V92 HydrophobicContact CD1-CG2 3.86Å; Y23-V92 HydrophobicContact CE1-CB 4.35Å; Y23-V92 HydrophobicContact CE1-CG1 3.52Å; Y23-V92 HydrophobicContact CE1-CG2 3.91Å; H68-V92 WeakPolarHBondContact O-CA 3.36Å; L88-V92 HydrophobicContact CB-CB 4.44Å; L88-V92 HydrophobicContact CD1-CG1 3.98Å; P89-V92 HydrophobicContact CB-CG2 4.2Å; P89-V92 HydrophobicContact CG-CG2 4.23Å; P89-V92 WeakPolarHBondContact O-CB 3.15Å; P89-V92 PolarHBondContact O-N 2.68Å; D90-V92 VanDerWaalsContact C-N 3.25Å; D90-V92 PolarHBondContact O-N 3.02Å |
| 93 | Q | 94.3 | Very high | 92.4 | Very high | 89 Ų | 89 | 69.4 Ų | 69.4 | 42% | 0.416 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 122.2 | 176.7 | -174.3 | 177.5 | 8.9 | 0 | 0 | 110.8 | H68 G69 L70 V132 | H68-Q93 PolarHBondContact O-N 2.85Å; G69-Q93 CarbonylContact C-O 3.56Å; G69-Q93 WeakPolarHBondContact CA-O 3.43Å; L70-Q93 PolarHBondContact N-O 3.05Å; Q93-V132 HydrophobicContact CB-CG1 4.23Å; Q93-V132 HydrophobicContact CG-CG1 4.28Å; Q93-V132 WeakPolarHBondContact O-CG1 3.44Å |
| 94 | I | 95.5 | Very high | 92.4 | Very high | 12 Ų | 12 | 65.7 Ų | 65.7 | 6% | 0.062 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128.3 | 173 | -170 | 174.8 | 0 | 0 | 0 | 111.6 | L70 L81 I84 R85 | L70-I94 HydrophobicContact CB-CG1 4.31Å; L70-I94 HydrophobicContact CD2-CD1 3.89Å; L70-I94 HydrophobicContact CD2-CG1 4.2Å; L70-I94 HydrophobicContact CG-CG1 4.48Å; L70-I94 WeakPolarHBondContact O-CA 3.26Å; L81-I94 HydrophobicContact CD1-CD1 3.58Å; L81-I94 HydrophobicContact CD1-CG1 3.82Å; L81-I94 HydrophobicContact CG-CD1 4.49Å; I84-I94 HydrophobicContact CB-CD1 3.84Å; I84-I94 HydrophobicContact CG2-CD1 3.53Å; R85-I94 HydrophobicContact CB-CG2 3.96Å; R85-I94 HydrophobicContact CG-CG2 4.11Å; R85-I94 PolarHBondContact NH2-O 3.42Å |
| 95 | R | 94.6 | Very high | 92.4 | Very high | 94 Ų | 94 | 66 Ų | 66 | 36% | 0.355 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 142.4 | -179.5 | -173.1 | 169 | 179.3 | 177.5 | -1.6 | 112 | L70 L71 V72 I128 D131 V132 | L70-R95 PolarHBondContact O-N 3.03Å; L71-R95 WeakPolarHBondContact CA-O 3.39Å; L71-R95 HydrophobicContact CD2-CB 3.82Å; V72-R95 PolarHBondContact N-O 2.9Å; R95-I128 HydrophobicContact CG-CG2 4.48Å; R95-D131 IonicContact NH1-OD2 3.17Å; R95-V132 HydrophobicContact CB-CG2 4.07Å; R95-V132 HydrophobicContact CG-CG2 4.5Å |
| 96 | R | 95 | Very high | 92.4 | Very high | 91 Ų | 91 | 62.4 Ų | 62.4 | 34% | 0.343 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 139 | 169.1 | -78.7 | -175.3 | -70.6 | -154.9 | -5.5 | 110.1 | V72 T76 D78 L81 | V72-R96 HydrophobicContact CG2-CG 3.8Å; V72-R96 CarbonylContact O-C 3.47Å; V72-R96 VanDerWaalsContact O-CA 3.3Å; V72-R96 WeakPolarHBondContact O-CA 3.24Å; T76-R96 PolarHBondContact O-NH1 3.25Å; D78-R96 IonicContact OD1-CZ 3.6Å; D78-R96 VanDerWaalsContact OD1-CZ 3.23Å; D78-R96 IonicContact OD1-NH1 3.95Å; D78-R96 PolarHBondContact OD1-NH1 2.9Å; D78-R96 IonicContact OD1-NH2 3.46Å; D78-R96 PolarHBondContact OD1-NH2 2.84Å; L81-R96 HydrophobicContact CD1-CG 4.19Å; L81-R96 HydrophobicContact CD2-CG 4.36Å |
| 97 | V | 93.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 130.2 | 177.7 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | L71 V72 N74 E99 L104 T125 I128 | L71-V97 HydrophobicContact CB-CG2 4.06Å; L71-V97 HydrophobicContact CD1-CG2 4.14Å; L71-V97 HydrophobicContact CD2-CG2 3.79Å; L71-V97 HydrophobicContact CG-CG2 4.23Å; V72-V97 PolarHBondContact O-N 2.82Å; N74-V97 WeakPolarHBondContact CB-O 3.08Å; N74-V97 PolarHBondContact N-O 2.84Å; V97-E99 HydrophobicContact CG1-CB 4.08Å; V97-E99 PolarHBondContact O-N 3.1Å; V97-L104 HydrophobicContact CB-CD1 4.3Å; V97-L104 HydrophobicContact CG2-CD1 4.43Å; V97-T125 HydrophobicContact CG1-CG2 3.69Å; V97-I128 HydrophobicContact CG2-CG2 3.97Å |
| 98 | E | 91.5 | Very high | 92.6 | Very high | 157 Ų | 157 | 55 Ų | 55 | 73% | 0.734 | 27% | 0.274 | S | S | * | . | trans | -89.3 | 97.6 | 169.8 | -172.8 | 169 | -179 | 0 | 0 | 108.7 | N74 | N74-E98 HydrophobicContact CB-CB 4.44Š| ||
| 99 | E | 90.4 | Very high | 92.7 | Very high | 18 Ų | 18 | 55 Ų | 55 | 8% | 0.084 | 27% | 0.274 | C | S | . | . | trans | -132 | 136.3 | -179 | 174.7 | 50 | -110.1 | 0 | 0 | 108.3 | V97 L101 L104 L121 D122 T125 | V97-E99 HydrophobicContact CG1-CB 4.08Å; V97-E99 PolarHBondContact O-N 3.1Å; E99-L101 HydrophobicContact CG-CB 4.03Å; E99-L101 PolarHBondContact O-N 2.9Å; E99-L101 PolarHBondContact OE1-N 2.97Å; E99-L104 HydrophobicContact CB-CD2 4.12Å; E99-L104 HydrophobicContact CG-CD2 4.12Å; E99-L121 HydrophobicContact CG-CD1 4.12Å; E99-D122 PolarHBondContact OE2-N 2.9Å; E99-T125 HydrophobicContact CB-CG2 4.31Å; E99-T125 HydrophobicContact CG-CG2 4.26Å; E99-T125 VanDerWaalsContact OE2-CB 3.28Å; E99-T125 WeakPolarHBondContact OE2-CB 3.38Å; E99-T125 PolarHBondContact OE2-OG1 3.16Å | ||
| 100 | R | 89.3 | Confident | 92.9 | Very high | 177 Ų | 177 | 53.6 Ų | 53.6 | 67% | 0.668 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -61.6 | -38.8 | 176.9 | -177.7 | 177.5 | 62 | 94.1 | 2 | 110.5 | S102 | R100-S102 VanDerWaalsContact C-N 3.26Å; R100-S102 PolarHBondContact O-N 3.1Å |
| 101 | L | 86.8 | Confident | 93.1 | Very high | 39 Ų | 39 | 45.7 Ų | 45.7 | 20% | 0.204 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -79.4 | 70.9 | 171.9 | -59 | 176.2 | 0 | 0 | 0 | 111 | E99 A103 V107 H118 | E99-L101 HydrophobicContact CG-CB 4.03Å; E99-L101 PolarHBondContact O-N 2.9Å; E99-L101 PolarHBondContact OE1-N 2.97Å; L101-A103 PolarHBondContact O-N 2.91Å; L101-V107 HydrophobicContact CB-CG1 4.08Å; L101-V107 HydrophobicContact CB-CG2 4.36Å; L101-V107 HydrophobicContact CD1-CG1 3.98Å; L101-H118 HydrophobicContact CD1-CB 4.34Å |
| 102 | S | 82.1 | Confident | 93.3 | Very high | 57 Ų | 57 | 40.9 Ų | 40.9 | 40% | 0.399 | 19% | 0.194 | S | C | . | . | trans | -56.6 | -21.7 | -172.1 | 60 | 0 | 0 | 0 | 0 | 116.7 | P73 R100 L104 | P73-S102 WeakPolarHBondContact CB-O 3.38Å; R100-S102 VanDerWaalsContact C-N 3.26Å; R100-S102 PolarHBondContact O-N 3.1Å; S102-L104 VanDerWaalsContact C-N 3.35Å; S102-L104 PolarHBondContact O-N 3.38Å; S102-L104 VanDerWaalsContact O-N 3.14Å | ||
| 103 | A | 91 | Very high | 93.3 | Very high | 23 Ų | 23 | 46.7 Ų | 46.7 | 19% | 0.19 | 22% | 0.215 | C | C | . | . | trans | -86.3 | 74 | 176 | 0 | 0 | 0 | 0 | 0 | 110.5 | R61 L101 G105 N106 V107 | R61-A103 CarbonylContact O-C 3.59Å; R61-A103 VanDerWaalsContact O-C 3.25Å; R61-A103 WeakPolarHBondContact O-CA 3.48Å; L101-A103 PolarHBondContact O-N 2.91Å; A103-G105 PolarHBondContact O-N 2.79Å; A103-G105 VanDerWaalsContact O-N 3.17Å; A103-N106 HydrophobicContact CB-CB 4.18Å; A103-N106 WeakPolarHBondContact O-CB 3.4Å; A103-N106 PolarHBondContact O-N 2.87Å; A103-V107 PolarHBondContact O-N 3.29Å | ||
| 104 | L | 94 | Very high | 93.4 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.4 | -37.5 | -174.3 | -62.1 | 175.6 | 0 | 0 | 0 | 112.7 | M62 V64 L71 V97 E99 S102 N106 V107 T108 | M62-L104 WeakPolarHBondContact O-CB 3.37Å; V64-L104 HydrophobicContact CG1-CB 4.16Å; L71-L104 HydrophobicContact CB-CD1 4.13Å; V97-L104 HydrophobicContact CB-CD1 4.3Å; V97-L104 HydrophobicContact CG2-CD1 4.43Å; E99-L104 HydrophobicContact CB-CD2 4.12Å; E99-L104 HydrophobicContact CG-CD2 4.12Å; S102-L104 VanDerWaalsContact C-N 3.35Å; S102-L104 PolarHBondContact O-N 3.38Å; S102-L104 VanDerWaalsContact O-N 3.14Å; L104-N106 VanDerWaalsContact C-N 3.25Å; L104-N106 PolarHBondContact O-N 2.79Å; L104-V107 WeakPolarHBondContact O-CG2 3.29Å; L104-V107 PolarHBondContact O-N 2.94Å; L104-T108 WeakPolarHBondContact O-CB 3.39Å; L104-T108 PolarHBondContact O-N 3.05Å |
| 105 | G | 95.2 | Very high | 93.5 | Very high | 6 Ų | 6 | 42.2 Ų | 42.2 | 6% | 0.062 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.8 | -19.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | R61 A103 G149 | R61-G105 WeakPolarHBondContact O-CA 3.4Å; R61-G105 PolarHBondContact O-N 3.47Å; A103-G105 PolarHBondContact O-N 2.79Å; A103-G105 VanDerWaalsContact O-N 3.17Å; G105-G149 CarbonylContact O-C 3.53Å; G105-G149 WeakPolarHBondContact O-CA 3.46Å |
| 106 | N | 95.6 | Very high | 93.6 | Very high | 35 Ų | 35 | 37.7 Ų | 37.7 | 19% | 0.187 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -81.5 | -30.7 | 173.6 | -74.4 | -20 | 0 | 0 | 0 | 113 | R61 A103 L104 L147 G149 S150 | R61-N106 WeakPolarHBondContact CD-OD1 3.12Å; R61-N106 PolarHBondContact NH1-OD1 3.26Å; A103-N106 HydrophobicContact CB-CB 4.18Å; A103-N106 WeakPolarHBondContact O-CB 3.4Å; A103-N106 PolarHBondContact O-N 2.87Å; L104-N106 VanDerWaalsContact C-N 3.25Å; L104-N106 PolarHBondContact O-N 2.79Å; N106-L147 CarbonylContact O-C 3.3Å; N106-L147 VanDerWaalsContact O-C 3.3Å; N106-L147 WeakPolarHBondContact O-CA 3.4Å; N106-G149 CarbonylContact O-C 3.36Å; N106-G149 VanDerWaalsContact O-CA 3.25Å; N106-G149 WeakPolarHBondContact O-CA 3.05Å; N106-G149 PolarHBondContact O-N 3.05Å; N106-S150 PolarHBondContact O-N 3.36Å; N106-S150 PolarHBondContact OD1-OG 2.93Å |
| 107 | V | 95.7 | Very high | 93.7 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.024 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -103.3 | -10.4 | -171.4 | -63.6 | 0 | 0 | 0 | 0 | 112.5 | L101 A103 L104 V117 H118 L147 V148 | L101-V107 HydrophobicContact CB-CG1 4.08Å; L101-V107 HydrophobicContact CB-CG2 4.36Å; L101-V107 HydrophobicContact CD1-CG1 3.98Å; A103-V107 PolarHBondContact O-N 3.29Å; L104-V107 WeakPolarHBondContact O-CG2 3.29Å; L104-V107 PolarHBondContact O-N 2.94Å; V107-V117 CarbonylContact O-C 3.51Å; V107-V117 WeakPolarHBondContact O-CA 3.45Å; V107-H118 HydrophobicContact CB-CB 3.84Å; V107-H118 HydrophobicContact CG1-CB 4.25Å; V107-H118 PolarHBondContact O-N 3Å; V107-L147 HydrophobicContact CG1-CD2 3.88Å; V107-V148 VanDerWaalsContact O-CG2 3.27Å; V107-V148 WeakPolarHBondContact O-CG2 3.2Å |
| 108 | T | 96.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 134.1 | -178.9 | -50.5 | 0 | 0 | 0 | 0 | 111.2 | V64 L104 A115 L116 V117 L129 | V64-T108 HydrophobicContact CB-CG2 4.49Å; V64-T108 HydrophobicContact CG1-CG2 4.47Å; V64-T108 HydrophobicContact CG2-CG2 3.84Å; L104-T108 WeakPolarHBondContact O-CB 3.39Å; L104-T108 PolarHBondContact O-N 3.05Å; T108-A115 HydrophobicContact CG2-CB 4.47Å; T108-L116 WeakPolarHBondContact CA-O 3.35Å; T108-V117 HydrophobicContact CG2-CG1 3.75Å; T108-L129 HydrophobicContact CG2-CD1 4.46Å; T108-L129 HydrophobicContact CG2-CD2 4.03Å |
| 109 | T | 96.1 | Very high | 94 | Very high | 9 Ų | 9 | 28.2 Ų | 28.2 | 6% | 0.055 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 143.7 | 168.4 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | A115 L116 V148 C152 F154 | T109-A115 CarbonylContact O-C 3.53Å; T109-A115 WeakPolarHBondContact O-CA 3.45Å; T109-L116 HydrophobicContact CG2-CB 4Å; T109-L116 PolarHBondContact N-O 3.03Å; T109-L116 PolarHBondContact O-N 3.22Å; T109-V148 HydrophobicContact CG2-CB 4.29Å; T109-V148 HydrophobicContact CG2-CG2 4.27Å; T109-C152 WeakPolarHBondContact CB-O 3.46Å; T109-C152 HydrophobicContact CG2-CB 4.13Å; T109-C152 PolarHBondContact OG1-O 3.47Å; T109-F154 HydrophobicContact CG2-CD1 4.24Å; T109-F154 HydrophobicContact CG2-CE1 3.66Å; T109-F154 WeakPolarHBondContact OG1-CE1 3.43Å |
| 110 | C | 96.4 | Very high | 94.1 | Very high | 12 Ų | 12 | 32.5 Ų | 32.5 | 8% | 0.081 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 150.3 | -172 | 63.3 | 0 | 0 | 0 | 0 | 111.7 | V64 V114 A115 | V64-C110 VanDerWaalsContact CG2-SG 3.5Å; C110-V114 WeakPolarHBondContact CA-O 3.45Å; C110-A115 HydrophobicContact CB-CB 3.66Å |
| 111 | N | 95.7 | Very high | 94.3 | Very high | 7 Ų | 7 | 24.1 Ų | 24.1 | 4% | 0.037 | 13% | 0.132 | C | C | . | . | trans | -104.2 | -158.4 | 158.8 | 71.1 | 6.7 | 0 | 0 | 0 | 109.3 | N66 Y113 V114 F154 S155 N156 | N66-N111 PolarHBondContact ND2-O 3.39Å; N111-Y113 VanDerWaalsContact C-N 3.28Å; N111-Y113 PolarHBondContact O-N 2.88Å; N111-Y113 PolarHBondContact OD1-N 3.14Å; N111-V114 PolarHBondContact N-O 2.72Å; N111-V114 PolarHBondContact OD1-N 2.99Å; N111-V114 PolarHBondContact OD1-O 3.39Å; N111-V114 VanDerWaalsContact OD1-O 3.12Å; N111-F154 HydrophobicContact CB-CD2 3.65Å; N111-F154 HydrophobicContact CB-CE2 3.57Å; N111-F154 VanDerWaalsContact CG-CE2 3.44Å; N111-F154 VanDerWaalsContact N-CE2 3.31Å; N111-S155 PolarHBondContact ND2-O 2.93Å; N111-N156 WeakPolarHBondContact CB-OD1 3.39Å | ||
| 112 | D | 95.7 | Very high | 94.7 | Very high | 9 Ų | 9 | 26.1 Ų | 26.1 | 5% | 0.048 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -82 | -3.9 | -178.6 | -65.5 | -36.3 | 0 | 0 | 0 | 114.2 | N21 N66 R67 N156 | N21-D112 PolarHBondContact ND2-OD2 3.25Å; N66-D112 WeakPolarHBondContact CB-OD1 3.38Å; R67-D112 WeakPolarHBondContact CB-OD1 3.28Å; R67-D112 VanDerWaalsContact CD-CG 3.49Å; R67-D112 WeakPolarHBondContact CD-OD2 3.38Å; R67-D112 HydrophobicContact CG-CB 4.12Å; R67-D112 VanDerWaalsContact CG-OD1 3.27Å; R67-D112 WeakPolarHBondContact CG-OD1 3.36Å; R67-D112 PolarHBondContact N-OD1 3.1Å; D112-N156 PolarHBondContact N-OD1 3.39Å; D112-N156 VanDerWaalsContact N-OD1 3.08Å; D112-N156 PolarHBondContact OD2-ND2 2.79Å |
| 113 | Y | 96 | Very high | 95.2 | Very high | 136 Ų | 136 | 32 Ų | 32 | 53% | 0.533 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -126.3 | -34.1 | -173 | -56 | -74.5 | 0 | 0 | 0 | 113.7 | N111 V135 E136 N156 | N111-Y113 VanDerWaalsContact C-N 3.28Å; N111-Y113 PolarHBondContact O-N 2.88Å; N111-Y113 PolarHBondContact OD1-N 3.14Å; Y113-V135 CarbonylContact O-C 3.58Å; Y113-V135 VanDerWaalsContact O-CA 3.25Å; Y113-V135 WeakPolarHBondContact O-CA 3.24Å; Y113-V135 WeakPolarHBondContact O-CB 3.26Å; Y113-E136 PolarHBondContact O-N 2.92Å; Y113-N156 WeakPolarHBondContact CD2-OD1 3.27Å; Y113-N156 HydrophobicContact CE2-CB 4.21Å; Y113-N156 WeakPolarHBondContact CE2-OD1 3.35Å |
| 114 | V | 96.7 | Very high | 95.4 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 4% | 0.036 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 143.4 | -171.4 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | C110 N111 E136 F138 L177 | C110-V114 WeakPolarHBondContact CA-O 3.45Å; N111-V114 PolarHBondContact N-O 2.72Å; N111-V114 PolarHBondContact OD1-N 2.99Å; N111-V114 PolarHBondContact OD1-O 3.39Å; N111-V114 VanDerWaalsContact OD1-O 3.12Å; V114-E136 CarbonylContact C-O 3.56Å; V114-E136 WeakPolarHBondContact CA-O 3.36Å; V114-F138 HydrophobicContact CG1-CD2 3.41Å; V114-F138 VanDerWaalsContact CG1-CD2 3.41Å; V114-F138 HydrophobicContact CG1-CE2 3.53Å; V114-F138 HydrophobicContact CG2-CE2 4.39Å; V114-L177 HydrophobicContact CB-CD2 4.16Å; V114-L177 HydrophobicContact CG1-CD2 3.52Å |
| 115 | A | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 137.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | T108 T109 C110 V135 E136 V137 F138 | T108-A115 HydrophobicContact CG2-CB 4.47Å; T109-A115 CarbonylContact O-C 3.53Å; T109-A115 WeakPolarHBondContact O-CA 3.45Å; C110-A115 HydrophobicContact CB-CB 3.66Å; A115-V135 HydrophobicContact CB-CG2 3.63Å; A115-E136 PolarHBondContact N-O 2.92Å; A115-V137 HydrophobicContact CB-CG2 4.4Å; A115-V137 WeakPolarHBondContact O-CA 3.43Å; A115-F138 PolarHBondContact O-N 3.27Å |
| 116 | L | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 134 | 164.2 | -55.4 | -179.4 | 0 | 0 | 0 | 109.1 | T108 T109 F138 Q140 V148 F154 L173 L176 L177 | T108-L116 WeakPolarHBondContact CA-O 3.35Å; T109-L116 HydrophobicContact CG2-CB 4Å; T109-L116 PolarHBondContact N-O 3.03Å; T109-L116 PolarHBondContact O-N 3.22Å; L116-F138 WeakPolarHBondContact CA-O 3.44Å; L116-F138 HydrophobicContact CD2-CB 4.06Å; L116-Q140 HydrophobicContact CD2-CB 4.27Å; L116-V148 HydrophobicContact CB-CB 4.31Å; L116-V148 HydrophobicContact CB-CG2 4.09Å; L116-V148 WeakPolarHBondContact O-CG2 3.49Å; L116-F154 HydrophobicContact CD1-CE1 4.46Å; L116-F154 HydrophobicContact CG-CE1 4.32Å; L116-L173 HydrophobicContact CD1-CD2 4.18Å; L116-L176 HydrophobicContact CD2-CD2 3.97Å; L116-L177 HydrophobicContact CD1-CD1 4.14Å; L116-L177 HydrophobicContact CD1-CD2 4.21Å; L116-L177 HydrophobicContact CD2-CD2 3.72Å; L116-L177 HydrophobicContact CG-CD2 3.83Å |
| 117 | V | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 156.5 | 178.6 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | V107 T108 L121 L129 V137 F138 R139 Q140 | V107-V117 CarbonylContact O-C 3.51Å; V107-V117 WeakPolarHBondContact O-CA 3.45Å; T108-V117 HydrophobicContact CG2-CG1 3.75Å; V117-L121 HydrophobicContact CB-CD2 3.78Å; V117-L121 HydrophobicContact CG1-CD2 3.77Å; V117-L121 HydrophobicContact CG2-CD2 4.11Å; V117-L129 HydrophobicContact CG1-CD1 3.84Å; V117-V137 HydrophobicContact CB-CG1 4.1Å; V117-V137 HydrophobicContact CG1-CG1 3.45Å; V117-V137 VanDerWaalsContact CG1-CG1 3.45Å; V117-V137 HydrophobicContact CG2-CG1 3.46Å; V117-V137 VanDerWaalsContact CG2-CG1 3.46Å; V117-F138 PolarHBondContact N-O 3.2Å; V117-R139 HydrophobicContact CG2-CB 4.41Å; V117-R139 HydrophobicContact CG2-CG 3.75Å; V117-R139 WeakPolarHBondContact O-CA 3.36Å; V117-Q140 PolarHBondContact O-N 3.31Å; V117-Q140 VanDerWaalsContact O-N 3.13Å |
| 118 | H | 96.1 | Very high | 95.3 | Very high | 13 Ų | 13 | 43.8 Ų | 43.8 | 6% | 0.06 | 20% | 0.204 | C | C | . | . | trans | -53.8 | 137 | 170.4 | -174 | -74.3 | 0 | 0 | 0 | 111.5 | L101 V107 D120 L121 V146 | L101-H118 HydrophobicContact CD1-CB 4.34Å; V107-H118 HydrophobicContact CB-CB 3.84Å; V107-H118 HydrophobicContact CG1-CB 4.25Å; V107-H118 PolarHBondContact O-N 3Å; H118-D120 VanDerWaalsContact C-N 3.3Å; H118-D120 IonicContact CE1-OD2 3.75Å; H118-D120 PolarHBondContact CE1-OD2 3.18Å; H118-D120 PolarHBondContact ND1-N 3.16Å; H118-D120 PolarHBondContact O-N 3.15Å; H118-L121 VanDerWaalsContact O-CB 3.27Å; H118-L121 WeakPolarHBondContact O-CB 3.48Å; H118-L121 PolarHBondContact O-N 3.46Å; H118-L121 VanDerWaalsContact O-N 3.07Å; H118-V146 PolarHBondContact CD2-O 3Å; H118-V146 VanDerWaalsContact NE2-CB 3.34Å; H118-V146 WeakPolarHBondContact NE2-CB 3.44Å; H118-V146 WeakPolarHBondContact NE2-CG2 3.4Å | ||
| 119 | P | 94.7 | Very high | 95.3 | Very high | 38 Ų | 38 | 43.8 Ų | 43.8 | 25% | 0.247 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -37.7 | -177.2 | -27.8 | 35.5 | 0 | 0 | 0 | 114.9 | L121 R139 T141 | P119-L121 VanDerWaalsContact C-N 3.29Å; P119-L121 PolarHBondContact O-N 2.81Å; P119-R139 PolarHBondContact O-NH1 2.91Å; P119-T141 HydrophobicContact CG-CG2 3.75Å |
| 120 | D | 93.8 | Very high | 95.4 | Very high | 107 Ų | 107 | 45.2 Ų | 45.2 | 57% | 0.572 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 20.4 | 178.2 | -52.9 | -34.4 | 0 | 0 | 0 | 114.2 | H118 | H118-D120 VanDerWaalsContact C-N 3.3Å; H118-D120 IonicContact CE1-OD2 3.75Å; H118-D120 PolarHBondContact CE1-OD2 3.18Å; H118-D120 PolarHBondContact ND1-N 3.16Å; H118-D120 PolarHBondContact O-N 3.15Å |
| 121 | L | 93.2 | Very high | 95.4 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | trans | -66.6 | 139.8 | 175 | -163.9 | 77.5 | 0 | 0 | 0 | 110.6 | E99 V117 H118 P119 T125 E126 L129 R139 | E99-L121 HydrophobicContact CG-CD1 4.12Å; V117-L121 HydrophobicContact CB-CD2 3.78Å; V117-L121 HydrophobicContact CG1-CD2 3.77Å; V117-L121 HydrophobicContact CG2-CD2 4.11Å; H118-L121 VanDerWaalsContact O-CB 3.27Å; H118-L121 WeakPolarHBondContact O-CB 3.48Å; H118-L121 PolarHBondContact O-N 3.46Å; H118-L121 VanDerWaalsContact O-N 3.07Å; P119-L121 VanDerWaalsContact C-N 3.29Å; P119-L121 PolarHBondContact O-N 2.81Å; L121-T125 HydrophobicContact CD1-CG2 3.88Å; L121-T125 HydrophobicContact CD2-CG2 3.81Å; L121-T125 HydrophobicContact CG-CG2 3.9Å; L121-E126 HydrophobicContact CD2-CB 4.35Å; L121-L129 HydrophobicContact CD2-CD1 3.52Å; L121-R139 PolarHBondContact O-NH1 3.23Å; L121-R139 PolarHBondContact O-NH2 3.22Å | ||
| 122 | D | 93.9 | Very high | 95.4 | Very high | 80 Ų | 80 | 48.9 Ų | 48.9 | 43% | 0.428 | 24% | 0.236 | S | C | . | . | trans | -64.2 | 140.8 | 177.5 | -73.1 | -23.4 | 0 | 0 | 0 | 110.5 | E99 E124 T125 E126 | E99-D122 PolarHBondContact OE2-N 2.9Å; D122-E124 VanDerWaalsContact C-N 3.25Å; D122-E124 PolarHBondContact O-N 3.34Å; D122-T125 WeakPolarHBondContact O-CB 3.42Å; D122-T125 PolarHBondContact O-N 3.23Å; D122-T125 VanDerWaalsContact O-N 3.14Å; D122-E126 PolarHBondContact O-N 2.98Å | ||
| 123 | R | 93.7 | Very high | 95.4 | Very high | 181 Ų | 181 | 48.5 Ų | 48.5 | 68% | 0.683 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -61.8 | -35.2 | -177.6 | -178.5 | 178.9 | 172 | 158 | 6.2 | 112.3 | E126 E127 | R123-E126 WeakPolarHBondContact O-CB 3.12Å; R123-E126 PolarHBondContact O-N 3.19Å; R123-E127 IonicContact CZ-OE1 3.05Å; R123-E127 IonicContact NE-OE1 3.47Å; R123-E127 PolarHBondContact NE-OE1 3.22Å; R123-E127 IonicContact NH2-OE1 2.9Å; R123-E127 WeakPolarHBondContact O-CG 3.15Å; R123-E127 PolarHBondContact O-N 3.48Å |
| 124 | E | 93.9 | Very high | 95.5 | Very high | 142 Ų | 142 | 48.5 Ų | 48.5 | 66% | 0.664 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -63.3 | -44.1 | 175.5 | -176.8 | 174.4 | -178.8 | 0 | 0 | 111.2 | D122 E126 E127 I128 | D122-E124 VanDerWaalsContact C-N 3.25Å; D122-E124 PolarHBondContact O-N 3.34Å; E124-E126 VanDerWaalsContact C-N 3.32Å; E124-E126 PolarHBondContact O-N 2.77Å; E124-E127 PolarHBondContact O-N 2.82Å; E124-I128 HydrophobicContact CG-CD1 4.12Å; E124-I128 VanDerWaalsContact O-CG1 3.28Å; E124-I128 WeakPolarHBondContact O-CG1 3.38Å; E124-I128 PolarHBondContact O-N 2.78Å |
| 125 | T | 93.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.012 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.7 | -41.4 | 174.7 | -59 | 0 | 0 | 0 | 0 | 111.8 | V97 E99 L121 D122 I128 L129 | V97-T125 HydrophobicContact CG1-CG2 3.69Å; E99-T125 HydrophobicContact CB-CG2 4.31Å; E99-T125 HydrophobicContact CG-CG2 4.26Å; E99-T125 VanDerWaalsContact OE2-CB 3.28Å; E99-T125 WeakPolarHBondContact OE2-CB 3.38Å; E99-T125 PolarHBondContact OE2-OG1 3.16Å; L121-T125 HydrophobicContact CD1-CG2 3.88Å; L121-T125 HydrophobicContact CD2-CG2 3.81Å; L121-T125 HydrophobicContact CG-CG2 3.9Å; D122-T125 WeakPolarHBondContact O-CB 3.42Å; D122-T125 PolarHBondContact O-N 3.23Å; D122-T125 VanDerWaalsContact O-N 3.14Å; T125-I128 PolarHBondContact O-N 2.92Å; T125-L129 HydrophobicContact CG2-CD1 3.96Å; T125-L129 WeakPolarHBondContact O-CB 3.36Å; T125-L129 WeakPolarHBondContact O-CG 3.48Å; T125-L129 PolarHBondContact O-N 3.49Å |
| 126 | E | 94.7 | Very high | 95.4 | Very high | 49 Ų | 49 | 54.8 Ų | 54.8 | 23% | 0.229 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 175.9 | -176.8 | 178.4 | 160.8 | 0 | 0 | 112.3 | L121 D122 R123 E124 I128 L129 A130 V137 R139 | L121-E126 HydrophobicContact CD2-CB 4.35Å; D122-E126 PolarHBondContact O-N 2.98Å; R123-E126 WeakPolarHBondContact O-CB 3.12Å; R123-E126 PolarHBondContact O-N 3.19Å; E124-E126 VanDerWaalsContact C-N 3.32Å; E124-E126 PolarHBondContact O-N 2.77Å; E126-I128 VanDerWaalsContact C-N 3.34Å; E126-I128 PolarHBondContact O-N 2.78Å; E126-L129 WeakPolarHBondContact O-CB 3.48Å; E126-L129 PolarHBondContact O-N 2.89Å; E126-A130 PolarHBondContact O-N 3.28Å; E126-V137 HydrophobicContact CG-CB 3.98Å; E126-V137 HydrophobicContact CG-CG1 3.75Å; E126-R139 IonicContact OE2-CZ 2.8Å; E126-R139 IonicContact OE2-NE 2.69Å; E126-R139 PolarHBondContact OE2-NE 2.79Å; E126-R139 IonicContact OE2-NH2 3.87Å; E126-R139 PolarHBondContact OE2-NH2 2.95Å |
| 127 | E | 96.1 | Very high | 95.4 | Very high | 109 Ų | 109 | 55.7 Ų | 55.7 | 51% | 0.509 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 176.9 | -71.5 | 173.1 | -168.6 | 0 | 0 | 111.5 | R123 E124 A130 D131 | R123-E127 IonicContact CZ-OE1 3.05Å; R123-E127 IonicContact NE-OE1 3.47Å; R123-E127 PolarHBondContact NE-OE1 3.22Å; R123-E127 IonicContact NH2-OE1 2.9Å; R123-E127 WeakPolarHBondContact O-CG 3.15Å; R123-E127 PolarHBondContact O-N 3.48Å; E124-E127 PolarHBondContact O-N 2.82Å; E127-A130 PolarHBondContact O-N 3Å; E127-D131 WeakPolarHBondContact O-CB 3.47Å; E127-D131 PolarHBondContact O-N 3.22Å |
| 128 | I | 95.7 | Very high | 95.4 | Very high | 16 Ų | 16 | 58.5 Ų | 58.5 | 8% | 0.082 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.5 | -41.6 | 174.9 | -66.8 | 167.1 | 0 | 0 | 0 | 111.4 | L71 R95 V97 E124 T125 E126 D131 V132 | L71-I128 HydrophobicContact CD2-CG2 4.06Å; R95-I128 HydrophobicContact CG-CG2 4.48Å; V97-I128 HydrophobicContact CG2-CG2 3.97Å; E124-I128 HydrophobicContact CG-CD1 4.12Å; E124-I128 VanDerWaalsContact O-CG1 3.28Å; E124-I128 WeakPolarHBondContact O-CG1 3.38Å; E124-I128 PolarHBondContact O-N 2.78Å; T125-I128 PolarHBondContact O-N 2.92Å; E126-I128 VanDerWaalsContact C-N 3.34Å; E126-I128 PolarHBondContact O-N 2.78Å; I128-D131 PolarHBondContact O-N 2.82Å; I128-V132 HydrophobicContact CG2-CG2 4.1Å; I128-V132 WeakPolarHBondContact O-CB 3.14Å; I128-V132 WeakPolarHBondContact O-CG2 3.37Å; I128-V132 PolarHBondContact O-N 3.02Å |
| 129 | L | 95.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.4 | -50.3 | 175.6 | -86.3 | 160.1 | 0 | 0 | 0 | 111.3 | V64 L71 T108 V117 L121 T125 E126 D131 L133 V137 | V64-L129 HydrophobicContact CG1-CD2 3.96Å; L71-L129 HydrophobicContact CD1-CB 4.36Å; L71-L129 HydrophobicContact CD1-CD2 3.26Å; L71-L129 HydrophobicContact CD1-CG 3.64Å; T108-L129 HydrophobicContact CG2-CD1 4.46Å; T108-L129 HydrophobicContact CG2-CD2 4.03Å; V117-L129 HydrophobicContact CG1-CD1 3.84Å; L121-L129 HydrophobicContact CD2-CD1 3.52Å; T125-L129 HydrophobicContact CG2-CD1 3.96Å; T125-L129 WeakPolarHBondContact O-CB 3.36Å; T125-L129 WeakPolarHBondContact O-CG 3.48Å; T125-L129 PolarHBondContact O-N 3.49Å; E126-L129 WeakPolarHBondContact O-CB 3.48Å; E126-L129 PolarHBondContact O-N 2.89Å; L129-D131 PolarHBondContact O-N 3.11Å; L129-L133 HydrophobicContact CD2-CD1 3.63Å; L129-L133 HydrophobicContact CD2-CG 4.44Å; L129-L133 VanDerWaalsContact O-CB 3.25Å; L129-L133 WeakPolarHBondContact O-CB 3.34Å; L129-L133 PolarHBondContact O-N 2.81Å; L129-V137 HydrophobicContact CB-CG2 4.07Å |
| 130 | A | 96.7 | Very high | 95.3 | Very high | 38 Ų | 38 | 63.9 Ų | 63.9 | 31% | 0.314 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | E126 E127 K134 V135 V137 | E126-A130 PolarHBondContact O-N 3.28Å; E127-A130 PolarHBondContact O-N 3Å; A130-K134 WeakPolarHBondContact O-CA 3.4Å; A130-K134 PolarHBondContact O-N 3.32Å; A130-V135 WeakPolarHBondContact CA-O 3.26Å; A130-V135 PolarHBondContact O-N 3.44Å; A130-V137 HydrophobicContact CB-CG2 3.98Å |
| 131 | D | 96.5 | Very high | 95.4 | Very high | 97 Ų | 97 | 61.2 Ų | 61.2 | 52% | 0.519 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.8 | -49.9 | -178.3 | -177.4 | 44.9 | 0 | 0 | 0 | 112.7 | R95 E127 I128 L129 | R95-D131 IonicContact NH1-OD2 3.17Å; E127-D131 WeakPolarHBondContact O-CB 3.47Å; E127-D131 PolarHBondContact O-N 3.22Å; I128-D131 PolarHBondContact O-N 2.82Å; L129-D131 PolarHBondContact O-N 3.11Å |
| 132 | V | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -74.8 | -43.1 | -174.1 | 175.7 | 0 | 0 | 0 | 0 | 111.9 | L71 Q93 R95 I128 | L71-V132 HydrophobicContact CD2-CB 3.84Å; L71-V132 HydrophobicContact CD2-CG1 3.65Å; L71-V132 HydrophobicContact CD2-CG2 3.97Å; L71-V132 HydrophobicContact CG-CG1 4.27Å; Q93-V132 HydrophobicContact CB-CG1 4.23Å; Q93-V132 HydrophobicContact CG-CG1 4.28Å; Q93-V132 WeakPolarHBondContact O-CG1 3.44Å; R95-V132 HydrophobicContact CB-CG2 4.07Å; R95-V132 HydrophobicContact CG-CG2 4.5Å; I128-V132 HydrophobicContact CG2-CG2 4.1Å; I128-V132 WeakPolarHBondContact O-CB 3.14Å; I128-V132 WeakPolarHBondContact O-CG2 3.37Å; I128-V132 PolarHBondContact O-N 3.02Å |
| 133 | L | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -85 | -14.1 | 180 | -56.4 | -175.7 | 0 | 0 | 0 | 112 | V64 N66 H68 G69 L71 L129 V135 | V64-L133 HydrophobicContact CG2-CD1 4.21Å; N66-L133 PolarHBondContact ND2-O 2.97Å; H68-L133 WeakPolarHBondContact CB-O 3.46Å; H68-L133 PolarHBondContact CD2-O 2.84Å; G69-L133 WeakPolarHBondContact O-CD2 3.49Å; L71-L133 HydrophobicContact CD1-CD1 4.43Å; L71-L133 HydrophobicContact CD1-CG 4.34Å; L71-L133 HydrophobicContact CG-CD2 4.46Å; L129-L133 HydrophobicContact CD2-CD1 3.63Å; L129-L133 HydrophobicContact CD2-CG 4.44Å; L129-L133 VanDerWaalsContact O-CB 3.25Å; L129-L133 WeakPolarHBondContact O-CB 3.34Å; L129-L133 PolarHBondContact O-N 2.81Å; L133-V135 VanDerWaalsContact C-N 3.33Å; L133-V135 HydrophobicContact CB-CG1 4.14Å; L133-V135 HydrophobicContact CB-CG2 3.81Å; L133-V135 WeakPolarHBondContact O-CG1 3.3Å; L133-V135 PolarHBondContact O-N 3.15Å |
| 134 | K | 96.6 | Very high | 95.1 | Very high | 136 Ų | 136 | 56.8 Ų | 56.8 | 59% | 0.591 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 44.4 | -176.9 | -55.5 | -177.7 | 179.9 | 176.2 | 0 | 112.8 | H68 A130 | H68-K134 HydrophobicContact CB-CB 4.41Å; H68-K134 HydrophobicContact CB-CD 4.23Å; H68-K134 HydrophobicContact CB-CG 4.26Å; A130-K134 WeakPolarHBondContact O-CA 3.4Å; A130-K134 PolarHBondContact O-N 3.32Å |
| 135 | V | 96.7 | Very high | 95.1 | Very high | 9 Ų | 9 | 53.5 Ų | 53.5 | 6% | 0.055 | 27% | 0.266 | C | S | . | . | trans | -125.5 | 153 | -176.4 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | N66 Y113 A115 A130 L133 V137 | N66-V135 WeakPolarHBondContact ND2-CG1 3.14Å; Y113-V135 CarbonylContact O-C 3.58Å; Y113-V135 VanDerWaalsContact O-CA 3.25Å; Y113-V135 WeakPolarHBondContact O-CA 3.24Å; Y113-V135 WeakPolarHBondContact O-CB 3.26Å; A115-V135 HydrophobicContact CB-CG2 3.63Å; A130-V135 WeakPolarHBondContact CA-O 3.26Å; A130-V135 PolarHBondContact O-N 3.44Å; L133-V135 VanDerWaalsContact C-N 3.33Å; L133-V135 HydrophobicContact CB-CG1 4.14Å; L133-V135 HydrophobicContact CB-CG2 3.81Å; L133-V135 WeakPolarHBondContact O-CG1 3.3Å; L133-V135 PolarHBondContact O-N 3.15Å; V135-V137 HydrophobicContact CG2-CG2 4.25Å | ||
| 136 | E | 96.2 | Very high | 95.1 | Very high | 129 Ų | 129 | 56.2 Ų | 56.2 | 60% | 0.603 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 129.8 | 165.7 | -64.1 | -173.3 | 171.9 | 0 | 0 | 109.4 | Y113 V114 A115 F138 | Y113-E136 PolarHBondContact O-N 2.92Å; V114-E136 CarbonylContact C-O 3.56Å; V114-E136 WeakPolarHBondContact CA-O 3.36Å; A115-E136 PolarHBondContact N-O 2.92Å; E136-F138 HydrophobicContact CB-CE2 3.89Å; E136-F138 HydrophobicContact CB-CZ 4.06Å |
| 137 | V | 96.6 | Very high | 95.1 | Very high | 20 Ų | 20 | 56.7 Ų | 56.7 | 12% | 0.121 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 126.7 | -176.2 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | A115 V117 E126 L129 A130 V135 | A115-V137 HydrophobicContact CB-CG2 4.4Å; A115-V137 WeakPolarHBondContact O-CA 3.43Å; V117-V137 HydrophobicContact CB-CG1 4.1Å; V117-V137 HydrophobicContact CG1-CG1 3.45Å; V117-V137 VanDerWaalsContact CG1-CG1 3.45Å; V117-V137 HydrophobicContact CG2-CG1 3.46Å; V117-V137 VanDerWaalsContact CG2-CG1 3.46Å; E126-V137 HydrophobicContact CG-CB 3.98Å; E126-V137 HydrophobicContact CG-CG1 3.75Å; L129-V137 HydrophobicContact CB-CG2 4.07Å; A130-V137 HydrophobicContact CB-CG2 3.98Å; V135-V137 HydrophobicContact CG2-CG2 4.25Å |
| 138 | F | 96.3 | Very high | 95.1 | Very high | 59 Ų | 59 | 51.5 Ų | 51.5 | 26% | 0.259 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 126.5 | 176.6 | -60.3 | -73.2 | 0 | 0 | 0 | 111.2 | V114 A115 L116 V117 E136 Q140 L176 | V114-F138 HydrophobicContact CG1-CD2 3.41Å; V114-F138 VanDerWaalsContact CG1-CD2 3.41Å; V114-F138 HydrophobicContact CG1-CE2 3.53Å; V114-F138 HydrophobicContact CG2-CE2 4.39Å; A115-F138 PolarHBondContact O-N 3.27Å; L116-F138 WeakPolarHBondContact CA-O 3.44Å; L116-F138 HydrophobicContact CD2-CB 4.06Å; V117-F138 PolarHBondContact N-O 3.2Å; E136-F138 HydrophobicContact CB-CE2 3.89Å; E136-F138 HydrophobicContact CB-CZ 4.06Å; F138-Q140 PolarHBondContact O-N 3.06Å; F138-L176 HydrophobicContact CB-CD2 3.86Å; F138-L176 HydrophobicContact CD1-CD1 3.74Å; F138-L176 HydrophobicContact CD1-CD2 4.47Å; F138-L176 HydrophobicContact CD1-CG 4.47Å; F138-L176 HydrophobicContact CD2-CD1 3.8Å; F138-L176 HydrophobicContact CD2-CD2 4.05Å; F138-L176 HydrophobicContact CD2-CG 3.81Å; F138-L176 HydrophobicContact CE1-CD1 3.7Å; F138-L176 HydrophobicContact CE2-CD1 3.77Å; F138-L176 HydrophobicContact CE2-CG 4.09Å; F138-L176 HydrophobicContact CG-CD1 3.79Å; F138-L176 HydrophobicContact CG-CD2 3.88Å; F138-L176 HydrophobicContact CG-CG 4.03Å; F138-L176 HydrophobicContact CZ-CD1 3.73Å |
| 139 | R | 95.4 | Very high | 95.1 | Very high | 104 Ų | 104 | 50.9 Ų | 50.9 | 39% | 0.392 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 116.6 | 170.9 | -69.3 | 172.5 | -174.7 | -125.8 | -2.6 | 108.8 | V117 P119 L121 E126 | V117-R139 HydrophobicContact CG2-CB 4.41Å; V117-R139 HydrophobicContact CG2-CG 3.75Å; V117-R139 WeakPolarHBondContact O-CA 3.36Å; P119-R139 PolarHBondContact O-NH1 2.91Å; L121-R139 PolarHBondContact O-NH1 3.23Å; L121-R139 PolarHBondContact O-NH2 3.22Å; E126-R139 IonicContact OE2-CZ 2.8Å; E126-R139 IonicContact OE2-NE 2.69Å; E126-R139 PolarHBondContact OE2-NE 2.79Å; E126-R139 IonicContact OE2-NH2 3.87Å; E126-R139 PolarHBondContact OE2-NH2 2.95Å |
| 140 | Q | 93.9 | Very high | 95.1 | Very high | 59 Ų | 59 | 51 Ų | 51 | 28% | 0.276 | 26% | 0.26 | S | S | . | . | trans | -151 | 164.6 | -176.3 | -166.7 | 52.1 | -44.8 | 0 | 0 | 112.3 | L116 V117 F138 V148 L173 | L116-Q140 HydrophobicContact CD2-CB 4.27Å; V117-Q140 PolarHBondContact O-N 3.31Å; V117-Q140 VanDerWaalsContact O-N 3.13Å; F138-Q140 PolarHBondContact O-N 3.06Å; Q140-V148 WeakPolarHBondContact O-CG1 3.08Å; Q140-L173 HydrophobicContact CG-CD2 3.51Å | ||
| 141 | T | 94.3 | Very high | 95.1 | Very high | 51 Ų | 51 | 50.8 Ų | 50.8 | 31% | 0.313 | 25% | 0.252 | S | S | . | . | trans | -114.8 | 157 | 170.3 | 57.7 | 0 | 0 | 0 | 0 | 110.6 | P119 Q145 V146 | P119-T141 HydrophobicContact CG-CG2 3.75Å; T141-Q145 WeakPolarHBondContact CA-O 3.39Å; T141-Q145 WeakPolarHBondContact CB-O 3.44Å; T141-V146 HydrophobicContact CG2-CG1 4.19Å | ||
| 142 | V | 92.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | B | Isolated β-bridge | trans | -125.4 | 115.5 | 176.5 | 176.9 | 0 | 0 | 0 | 0 | 107.9 | D144 Q145 V148 C152 V161 H162 L173 | V142-D144 VanDerWaalsContact C-N 3.35Å; V142-D144 PolarHBondContact O-N 2.99Å; V142-Q145 PolarHBondContact N-O 3.07Å; V142-Q145 VanDerWaalsContact O-CB 3.24Å; V142-Q145 WeakPolarHBondContact O-CB 3.33Å; V142-Q145 PolarHBondContact O-N 2.79Å; V142-V148 HydrophobicContact CG2-CB 4.37Å; V142-V148 HydrophobicContact CG2-CG1 4.01Å; V142-C152 HydrophobicContact CG2-CB 4.07Å; V142-V161 HydrophobicContact CG1-CB 4.13Å; V142-H162 HydrophobicContact CG1-CB 3.99Å; V142-L173 HydrophobicContact CG2-CD1 4.27Å |
| 143 | A | 92 | Very high | 95.1 | Very high | 18 Ų | 18 | 46.9 Ų | 46.9 | 15% | 0.149 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 49.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q145 H162 K164 | A143-Q145 PolarHBondContact O-N 3.16Å; A143-H162 HydrophobicContact CB-CB 3.97Å; A143-H162 WeakPolarHBondContact CB-ND1 3.33Å; A143-K164 HydrophobicContact CB-CB 4.44Å |
| 144 | D | 90.9 | Very high | 95.1 | Very high | 152 Ų | 152 | 47.3 Ų | 47.3 | 81% | 0.813 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 10.1 | -174.7 | -57.9 | -47.5 | 0 | 0 | 0 | 115.2 | V142 | V142-D144 VanDerWaalsContact C-N 3.35Å; V142-D144 PolarHBondContact O-N 2.99Å |
| 145 | Q | 93.2 | Very high | 95.1 | Very high | 74 Ų | 74 | 41 Ų | 41 | 35% | 0.346 | 21% | 0.207 | S | C | . | . | B | Isolated β-bridge | trans | -97 | 133.6 | 175.4 | -58.9 | -65.6 | -27.1 | 0 | 0 | 111 | T141 V142 A143 Y151 | T141-Q145 WeakPolarHBondContact CA-O 3.39Å; T141-Q145 WeakPolarHBondContact CB-O 3.44Å; V142-Q145 PolarHBondContact N-O 3.07Å; V142-Q145 VanDerWaalsContact O-CB 3.24Å; V142-Q145 WeakPolarHBondContact O-CB 3.33Å; V142-Q145 PolarHBondContact O-N 2.79Å; A143-Q145 PolarHBondContact O-N 3.16Å; Q145-Y151 HydrophobicContact CB-CD2 3.4Å; Q145-Y151 HydrophobicContact CB-CE2 3.45Å; Q145-Y151 VanDerWaalsContact CB-CE2 3.45Å; Q145-Y151 HydrophobicContact CB-CG 4.33Å; Q145-Y151 HydrophobicContact CG-CD2 3.83Å; Q145-Y151 HydrophobicContact CG-CE2 3.58Å; Q145-Y151 HydrophobicContact CG-CG 4.49Å |
| 146 | V | 94.6 | Very high | 95 | Very high | 58 Ų | 58 | 41.9 Ų | 41.9 | 35% | 0.352 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -81.6 | -20.5 | 178.9 | -61.6 | 0 | 0 | 0 | 0 | 113.3 | H118 T141 V148 | H118-V146 PolarHBondContact CD2-O 3Å; H118-V146 VanDerWaalsContact NE2-CB 3.34Å; H118-V146 WeakPolarHBondContact NE2-CB 3.44Å; H118-V146 WeakPolarHBondContact NE2-CG2 3.4Å; T141-V146 HydrophobicContact CG2-CG1 4.19Å; V146-V148 PolarHBondContact O-N 2.79Å |
| 147 | L | 95.2 | Very high | 94.9 | Very high | 59 Ų | 59 | 39 Ų | 39 | 31% | 0.309 | 20% | 0.198 | S | C | . | . | trans | -83 | 64.9 | 179.7 | -60.2 | -179 | 0 | 0 | 0 | 111.2 | N106 V107 G149 S150 Y151 | N106-L147 CarbonylContact O-C 3.3Å; N106-L147 VanDerWaalsContact O-C 3.3Å; N106-L147 WeakPolarHBondContact O-CA 3.4Å; V107-L147 HydrophobicContact CG1-CD2 3.88Å; L147-G149 PolarHBondContact O-N 3.07Å; L147-G149 VanDerWaalsContact O-N 3.15Å; L147-S150 WeakPolarHBondContact O-CB 3.08Å; L147-S150 PolarHBondContact O-N 3.1Å; L147-Y151 HydrophobicContact CB-CD2 4.13Å; L147-Y151 HydrophobicContact CB-CE2 3.98Å; L147-Y151 WeakPolarHBondContact O-CD2 3.09Å; L147-Y151 PolarHBondContact O-N 3.04Å | ||
| 148 | V | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -54.1 | -36.5 | -177 | -62.2 | 0 | 0 | 0 | 0 | 112.6 | V107 T109 L116 Q140 V142 V146 S150 Y151 C152 | V107-V148 VanDerWaalsContact O-CG2 3.27Å; V107-V148 WeakPolarHBondContact O-CG2 3.2Å; T109-V148 HydrophobicContact CG2-CB 4.29Å; T109-V148 HydrophobicContact CG2-CG2 4.27Å; L116-V148 HydrophobicContact CB-CB 4.31Å; L116-V148 HydrophobicContact CB-CG2 4.09Å; L116-V148 WeakPolarHBondContact O-CG2 3.49Å; Q140-V148 WeakPolarHBondContact O-CG1 3.08Å; V142-V148 HydrophobicContact CG2-CB 4.37Å; V142-V148 HydrophobicContact CG2-CG1 4.01Å; V146-V148 PolarHBondContact O-N 2.79Å; V148-S150 PolarHBondContact O-N 2.99Å; V148-Y151 PolarHBondContact O-N 3.14Å; V148-C152 WeakPolarHBondContact O-CB 3.19Å; V148-C152 PolarHBondContact O-N 2.94Å |
| 149 | G | 95.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.1 | -20.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | G105 N106 L147 A194 | G105-G149 CarbonylContact O-C 3.53Å; G105-G149 WeakPolarHBondContact O-CA 3.46Å; N106-G149 CarbonylContact O-C 3.36Å; N106-G149 VanDerWaalsContact O-CA 3.25Å; N106-G149 WeakPolarHBondContact O-CA 3.05Å; N106-G149 PolarHBondContact O-N 3.05Å; L147-G149 PolarHBondContact O-N 3.07Å; L147-G149 VanDerWaalsContact O-N 3.15Å; G149-A194 WeakPolarHBondContact O-CB 3.32Å |
| 150 | S | 96 | Very high | 95 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 3% | 0.028 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -86.8 | -33.7 | 174.9 | -62.1 | 0 | 0 | 0 | 0 | 112.9 | R61 N106 L147 V148 V192 I193 A194 | R61-S150 PolarHBondContact NH1-OG 3.21Å; N106-S150 PolarHBondContact O-N 3.36Å; N106-S150 PolarHBondContact OD1-OG 2.93Å; L147-S150 WeakPolarHBondContact O-CB 3.08Å; L147-S150 PolarHBondContact O-N 3.1Å; V148-S150 PolarHBondContact O-N 2.99Å; S150-V192 CarbonylContact O-C 3.48Å; S150-I193 PolarHBondContact O-N 3.3Å; S150-A194 PolarHBondContact O-N 3.1Å; S150-A194 VanDerWaalsContact O-N 3.13Å |
| 151 | Y | 96.8 | Very high | 95.1 | Very high | 34 Ų | 34 | 27.6 Ų | 27.6 | 13% | 0.133 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -109.2 | -2.2 | -166.7 | -62.4 | -61.8 | 0 | 0 | 0 | 114.1 | Q145 L147 V148 V161 H162 E191 V192 | Q145-Y151 HydrophobicContact CB-CD2 3.4Å; Q145-Y151 HydrophobicContact CB-CE2 3.45Å; Q145-Y151 VanDerWaalsContact CB-CE2 3.45Å; Q145-Y151 HydrophobicContact CB-CG 4.33Å; Q145-Y151 HydrophobicContact CG-CD2 3.83Å; Q145-Y151 HydrophobicContact CG-CE2 3.58Å; Q145-Y151 HydrophobicContact CG-CG 4.49Å; L147-Y151 HydrophobicContact CB-CD2 4.13Å; L147-Y151 HydrophobicContact CB-CE2 3.98Å; L147-Y151 WeakPolarHBondContact O-CD2 3.09Å; L147-Y151 PolarHBondContact O-N 3.04Å; V148-Y151 PolarHBondContact O-N 3.14Å; Y151-V161 CarbonylContact O-C 3.54Å; Y151-H162 AromaticContact CD1-CD2 3.58Å; Y151-H162 PolarHBondContact O-N 3.42Å; Y151-E191 HydrophobicContact CE1-CG 4.49Å; Y151-V192 HydrophobicContact CE1-CG2 4.28Å |
| 152 | C | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 128.5 | 178.5 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | T109 V142 V148 L160 V161 | T109-C152 WeakPolarHBondContact CB-O 3.46Å; T109-C152 HydrophobicContact CG2-CB 4.13Å; T109-C152 PolarHBondContact OG1-O 3.47Å; V142-C152 HydrophobicContact CG2-CB 4.07Å; V148-C152 WeakPolarHBondContact O-CB 3.19Å; V148-C152 PolarHBondContact O-N 2.94Å; C152-L160 WeakPolarHBondContact CA-O 3.29Å; C152-V161 HydrophobicContact CB-CG1 4.3Å |
| 153 | V | 96.9 | Very high | 95.4 | Very high | 16 Ų | 16 | 27.8 Ų | 27.8 | 10% | 0.097 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 127.2 | 171.4 | 178 | 0 | 0 | 0 | 0 | 107.7 | G159 L160 I193 A194 V199 | V153-G159 CarbonylContact O-C 3.51Å; V153-G159 VanDerWaalsContact O-CA 3.24Å; V153-G159 WeakPolarHBondContact O-CA 3.36Å; V153-L160 PolarHBondContact N-O 2.93Å; V153-L160 PolarHBondContact O-N 3.15Å; V153-I193 HydrophobicContact CB-CG2 4.05Å; V153-I193 HydrophobicContact CG2-CB 4.37Å; V153-I193 HydrophobicContact CG2-CG2 3.84Å; V153-A194 HydrophobicContact CG2-CB 3.5Å; V153-A194 VanDerWaalsContact CG2-CB 3.5Å; V153-V199 HydrophobicContact CG1-CG1 3.38Å |
| 154 | F | 96.5 | Very high | 95.5 | Very high | 8 Ų | 8 | 34.3 Ų | 34.3 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 153.8 | 176.9 | 64.7 | -80.1 | 0 | 0 | 0 | 111.3 | T109 N111 L116 G158 L177 V179 | T109-F154 HydrophobicContact CG2-CD1 4.24Å; T109-F154 HydrophobicContact CG2-CE1 3.66Å; T109-F154 WeakPolarHBondContact OG1-CE1 3.43Å; N111-F154 HydrophobicContact CB-CD2 3.65Å; N111-F154 HydrophobicContact CB-CE2 3.57Å; N111-F154 VanDerWaalsContact CG-CE2 3.44Å; N111-F154 VanDerWaalsContact N-CE2 3.31Å; L116-F154 HydrophobicContact CD1-CE1 4.46Å; L116-F154 HydrophobicContact CG-CE1 4.32Å; F154-G158 WeakPolarHBondContact CA-O 3.37Å; F154-L177 HydrophobicContact CD1-CD1 3.98Å; F154-L177 HydrophobicContact CD2-CD1 4.02Å; F154-L177 HydrophobicContact CD2-CD2 4.48Å; F154-L177 HydrophobicContact CE1-CD1 4.06Å; F154-L177 HydrophobicContact CE1-CD2 4.29Å; F154-L177 HydrophobicContact CE2-CD1 4.1Å; F154-L177 HydrophobicContact CE2-CD2 3.79Å; F154-L177 HydrophobicContact CE2-CG 4.42Å; F154-L177 HydrophobicContact CG-CD1 3.95Å; F154-L177 HydrophobicContact CZ-CD1 4.13Å; F154-L177 HydrophobicContact CZ-CD2 3.68Å; F154-V179 HydrophobicContact CD2-CG2 4.47Å |
| 155 | S | 95.8 | Very high | 95.7 | Very high | 5 Ų | 5 | 27.4 Ų | 27.4 | 4% | 0.035 | 14% | 0.138 | C | C | . | . | trans | -115.2 | -169.4 | 174.9 | 69 | 0 | 0 | 0 | 0 | 108.7 | N111 Q157 G158 D201 F222 | N111-S155 PolarHBondContact ND2-O 2.93Å; S155-Q157 PolarHBondContact O-N 3.37Å; S155-Q157 PolarHBondContact OG-N 3.19Å; S155-G158 PolarHBondContact N-O 3.07Å; S155-G158 PolarHBondContact OG-N 3.39Å; S155-G158 PolarHBondContact OG-O 3.18Å; S155-D201 WeakPolarHBondContact CB-OD1 3.38Å; S155-F222 VanDerWaalsContact OG-CD1 3.29Å; S155-F222 WeakPolarHBondContact OG-CD1 2.99Å | ||
| 156 | N | 95.7 | Very high | 95.8 | Very high | 27 Ų | 27 | 26.1 Ų | 26.1 | 14% | 0.144 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -75.4 | -11.4 | 171.7 | -56.8 | -39.6 | 0 | 0 | 0 | 112.7 | N21 N111 D112 Y113 V179 D201 | N21-N156 PolarHBondContact ND2-ND2 3.44Å; N111-N156 WeakPolarHBondContact CB-OD1 3.39Å; D112-N156 PolarHBondContact N-OD1 3.39Å; D112-N156 VanDerWaalsContact N-OD1 3.08Å; D112-N156 PolarHBondContact OD2-ND2 2.79Å; Y113-N156 WeakPolarHBondContact CD2-OD1 3.27Å; Y113-N156 HydrophobicContact CE2-CB 4.21Å; Y113-N156 WeakPolarHBondContact CE2-OD1 3.35Å; N156-V179 WeakPolarHBondContact O-CG1 3.48Å; N156-D201 WeakPolarHBondContact CB-OD1 3.35Å; N156-D201 PolarHBondContact N-OD1 3.17Å; N156-D201 PolarHBondContact ND2-OD1 3Å; N156-D201 PolarHBondContact ND2-OD2 2.86Å |
| 157 | Q | 94.3 | Very high | 95.8 | Very high | 69 Ų | 69 | 29.4 Ų | 29.4 | 32% | 0.322 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -99.4 | -27.5 | -176.2 | -62.1 | -54.9 | -37.2 | 0 | 0 | 114.3 | S155 P180 D201 | S155-Q157 PolarHBondContact O-N 3.37Å; S155-Q157 PolarHBondContact OG-N 3.19Å; Q157-P180 VanDerWaalsContact O-CD 3.32Å; Q157-P180 WeakPolarHBondContact O-CD 3.25Å; Q157-P180 WeakPolarHBondContact O-CG 3.49Å; Q157-D201 HydrophobicContact CG-CB 4.33Å |
| 158 | G | 96 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | 173.5 | 175.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F154 S155 P180 F222 | F154-G158 WeakPolarHBondContact CA-O 3.37Å; S155-G158 PolarHBondContact N-O 3.07Å; S155-G158 PolarHBondContact OG-N 3.39Å; S155-G158 PolarHBondContact OG-O 3.18Å; G158-P180 CarbonylContact C-O 3.54Å; G158-P180 VanDerWaalsContact CA-O 3.25Å; G158-P180 WeakPolarHBondContact CA-O 3.32Å; G158-F222 WeakPolarHBondContact O-CD1 3.46Å; G158-F222 WeakPolarHBondContact O-CE1 3.46Å | ||
| 159 | G | 96.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 157.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | V153 P180 L181 V182 V221 | V153-G159 CarbonylContact O-C 3.51Å; V153-G159 VanDerWaalsContact O-CA 3.24Å; V153-G159 WeakPolarHBondContact O-CA 3.36Å; G159-P180 PolarHBondContact N-O 3.2Å; G159-L181 WeakPolarHBondContact O-CA 3.28Å; G159-V182 PolarHBondContact O-N 3.05Å; G159-V221 WeakPolarHBondContact O-CG2 3.48Å |
| 160 | L | 97.1 | Very high | 95.8 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 126.6 | 177.3 | -165.6 | 74.6 | 0 | 0 | 0 | 108.9 | C152 V153 V182 V186 I193 M197 V217 V218 F222 | C152-L160 WeakPolarHBondContact CA-O 3.29Å; V153-L160 PolarHBondContact N-O 2.93Å; V153-L160 PolarHBondContact O-N 3.15Å; L160-V182 WeakPolarHBondContact CA-O 3.47Å; L160-V182 HydrophobicContact CD1-CB 4.5Å; L160-V182 WeakPolarHBondContact CD1-O 3.43Å; L160-V186 HydrophobicContact CD2-CG1 4.15Å; L160-I193 HydrophobicContact CB-CG2 4.08Å; L160-I193 HydrophobicContact CD2-CD1 4.05Å; L160-I193 HydrophobicContact CD2-CG2 3.75Å; L160-I193 HydrophobicContact CG-CD1 4.45Å; L160-I193 HydrophobicContact CG-CG2 4.16Å; L160-M197 HydrophobicContact CD2-SD 3.87Å; L160-V217 HydrophobicContact CD1-CG1 4.18Å; L160-V218 HydrophobicContact CD2-CG2 4.19Å; L160-F222 HydrophobicContact CB-CE2 4.1Å; L160-F222 HydrophobicContact CB-CZ 4.32Å |
| 161 | V | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 167.6 | 179.8 | -61.6 | 0 | 0 | 0 | 0 | 111.2 | V142 Y151 C152 T165 Q170 L181 V182 A183 G184 | V142-V161 HydrophobicContact CG1-CB 4.13Å; Y151-V161 CarbonylContact O-C 3.54Å; C152-V161 HydrophobicContact CB-CG1 4.3Å; V161-T165 HydrophobicContact CG2-CG2 4.17Å; V161-Q170 HydrophobicContact CG2-CG 3.99Å; V161-L181 HydrophobicContact CG1-CD1 4.13Å; V161-L181 HydrophobicContact CG1-CD2 4.3Å; V161-V182 PolarHBondContact N-O 3.22Å; V161-A183 HydrophobicContact CG2-CB 4.21Å; V161-A183 WeakPolarHBondContact O-CA 3.38Å; V161-G184 PolarHBondContact O-N 2.8Å; V161-G184 VanDerWaalsContact O-N 3.1Å |
| 162 | H | 96.6 | Very high | 95.7 | Very high | 5 Ų | 5 | 47 Ų | 47 | 2% | 0.023 | 24% | 0.238 | C | C | . | . | trans | -46.8 | 139 | 175.4 | -169.8 | -92 | 0 | 0 | 0 | 112.6 | V142 A143 Y151 K164 T165 E191 | V142-H162 HydrophobicContact CG1-CB 3.99Å; A143-H162 HydrophobicContact CB-CB 3.97Å; A143-H162 WeakPolarHBondContact CB-ND1 3.33Å; Y151-H162 AromaticContact CD1-CD2 3.58Å; Y151-H162 PolarHBondContact O-N 3.42Å; H162-K164 WeakPolarHBondContact ND1-CB 3.34Å; H162-K164 PolarHBondContact ND1-N 3.08Å; H162-K164 VanDerWaalsContact ND1-N 3.13Å; H162-K164 PolarHBondContact O-N 3.43Å; H162-K164 VanDerWaalsContact O-N 3.15Å; H162-T165 WeakPolarHBondContact O-CB 3.41Å; H162-T165 PolarHBondContact O-N 3.12Å; H162-T165 PolarHBondContact O-OG1 3.16Å; H162-E191 IonicContact CE1-OE2 3.94Å; H162-E191 WeakPolarHBondContact NE2-CB 2.87Å; H162-E191 VanDerWaalsContact NE2-CD 3.32Å; H162-E191 IonicContact NE2-OE1 3.22Å; H162-E191 IonicContact NE2-OE2 3.79Å; H162-E191 PolarHBondContact NE2-OE2 3.13Å | ||
| 163 | P | 95.4 | Very high | 95.7 | Very high | 51 Ų | 51 | 47.1 Ų | 47.1 | 33% | 0.331 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -21 | -174.2 | 26.5 | -36.4 | 0 | 0 | 0 | 114.2 | G184 T185 E191 | P163-G184 VanDerWaalsContact CD-O 3.3Å; P163-G184 WeakPolarHBondContact CD-O 3.34Å; P163-T185 HydrophobicContact CB-CG2 3.92Å; P163-T185 HydrophobicContact CG-CG2 3.82Å; P163-E191 HydrophobicContact CG-CB 3.94Å |
| 164 | K | 95.4 | Very high | 95.6 | Very high | 155 Ų | 155 | 47.8 Ų | 47.8 | 67% | 0.674 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | 2.6 | 177.2 | -57.2 | -178.2 | -173.3 | 141.3 | 0 | 114.1 | A143 H162 S166 E191 | A143-K164 HydrophobicContact CB-CB 4.44Å; H162-K164 WeakPolarHBondContact ND1-CB 3.34Å; H162-K164 PolarHBondContact ND1-N 3.08Å; H162-K164 VanDerWaalsContact ND1-N 3.13Å; H162-K164 PolarHBondContact O-N 3.43Å; H162-K164 VanDerWaalsContact O-N 3.15Å; K164-S166 PolarHBondContact O-N 2.99Å; K164-E191 IonicContact NZ-OE2 3.27Å |
| 165 | T | 94.6 | Very high | 95.5 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | trans | -63.9 | 128.4 | 175.3 | -52.4 | 0 | 0 | 0 | 0 | 108.9 | V161 H162 D169 Q170 L173 | V161-T165 HydrophobicContact CG2-CG2 4.17Å; H162-T165 WeakPolarHBondContact O-CB 3.41Å; H162-T165 PolarHBondContact O-N 3.12Å; H162-T165 PolarHBondContact O-OG1 3.16Å; T165-D169 HydrophobicContact CG2-CB 3.67Å; T165-Q170 HydrophobicContact CG2-CG 3.81Å; T165-Q170 PolarHBondContact O-NE2 3.48Å; T165-L173 HydrophobicContact CG2-CD1 4.44Å | ||
| 166 | S | 95.1 | Very high | 95.4 | Very high | 48 Ų | 48 | 54.1 Ų | 54.1 | 34% | 0.336 | 29% | 0.285 | S | S | . | . | trans | -65.9 | 162.7 | -179.9 | 76.7 | 0 | 0 | 0 | 0 | 111 | K164 E168 D169 Q170 | K164-S166 PolarHBondContact O-N 2.99Å; S166-E168 VanDerWaalsContact C-N 3.28Å; S166-D169 WeakPolarHBondContact CB-OD2 3.25Å; S166-D169 PolarHBondContact N-OD2 2.89Å; S166-D169 PolarHBondContact O-N 3.46Å; S166-D169 WeakPolarHBondContact OG-CB 3.13Å; S166-D169 PolarHBondContact OG-N 2.76Å; S166-D169 PolarHBondContact OG-OD2 3.39Å; S166-Q170 WeakPolarHBondContact O-CB 3.25Å; S166-Q170 VanDerWaalsContact O-CG 3.31Å; S166-Q170 WeakPolarHBondContact O-CG 3.43Å; S166-Q170 PolarHBondContact O-N 2.97Å; S166-Q170 PolarHBondContact O-NE2 3.46Å; S166-Q170 VanDerWaalsContact O-NE2 3.16Å | ||
| 167 | I | 95.2 | Very high | 95.4 | Very high | 127 Ų | 127 | 53 Ų | 53 | 65% | 0.651 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -65.9 | -38 | 176.7 | -62.3 | 173.1 | 0 | 0 | 0 | 109.9 | Q170 D171 | I167-Q170 WeakPolarHBondContact O-CB 3.44Å; I167-Q170 PolarHBondContact O-N 2.96Å; I167-D171 PolarHBondContact O-N 3.06Å |
| 168 | E | 95.2 | Very high | 95.4 | Very high | 150 Ų | 150 | 57.7 Ų | 57.7 | 70% | 0.701 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61 | -49.2 | 176.5 | -63.6 | 176.2 | -177.9 | 0 | 0 | 110.8 | S166 Q170 D171 E172 | S166-E168 VanDerWaalsContact C-N 3.28Å; E168-Q170 VanDerWaalsContact C-N 3.3Å; E168-Q170 PolarHBondContact O-N 2.98Å; E168-D171 PolarHBondContact O-N 3.46Å; E168-E172 WeakPolarHBondContact O-CG 3.3Å; E168-E172 PolarHBondContact O-N 3.09Å |
| 169 | D | 94.6 | Very high | 95.4 | Very high | 66 Ų | 66 | 58.1 Ų | 58.1 | 35% | 0.353 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.3 | -36 | 176.7 | -59.4 | -38.2 | 0 | 0 | 0 | 112 | T165 S166 L173 | T165-D169 HydrophobicContact CG2-CB 3.67Å; S166-D169 WeakPolarHBondContact CB-OD2 3.25Å; S166-D169 PolarHBondContact N-OD2 2.89Å; S166-D169 PolarHBondContact O-N 3.46Å; S166-D169 WeakPolarHBondContact OG-CB 3.13Å; S166-D169 PolarHBondContact OG-N 2.76Å; S166-D169 PolarHBondContact OG-OD2 3.39Å; D169-L173 VanDerWaalsContact O-CB 3.26Å; D169-L173 WeakPolarHBondContact O-CB 3.26Å; D169-L173 WeakPolarHBondContact O-CG 3.39Å; D169-L173 PolarHBondContact O-N 2.92Å |
| 170 | Q | 95.4 | Very high | 95.3 | Very high | 30 Ų | 30 | 61 Ų | 61 | 14% | 0.14 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.7 | -44.4 | 175.5 | -80.6 | 171.1 | 82.6 | 0 | 0 | 111.5 | V161 T165 S166 I167 E168 S174 | V161-Q170 HydrophobicContact CG2-CG 3.99Å; T165-Q170 HydrophobicContact CG2-CG 3.81Å; T165-Q170 PolarHBondContact O-NE2 3.48Å; S166-Q170 WeakPolarHBondContact O-CB 3.25Å; S166-Q170 VanDerWaalsContact O-CG 3.31Å; S166-Q170 WeakPolarHBondContact O-CG 3.43Å; S166-Q170 PolarHBondContact O-N 2.97Å; S166-Q170 PolarHBondContact O-NE2 3.46Å; S166-Q170 VanDerWaalsContact O-NE2 3.16Å; I167-Q170 WeakPolarHBondContact O-CB 3.44Å; I167-Q170 PolarHBondContact O-N 2.96Å; E168-Q170 VanDerWaalsContact C-N 3.3Å; E168-Q170 PolarHBondContact O-N 2.98Å; Q170-S174 WeakPolarHBondContact O-CB 3.4Å; Q170-S174 PolarHBondContact O-N 3.29Å |
| 171 | D | 96 | Very high | 95.3 | Very high | 102 Ų | 102 | 61.8 Ų | 61.8 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.7 | -39.6 | 179.1 | -72.5 | -23.2 | 0 | 0 | 0 | 111.8 | I167 E168 S175 | I167-D171 PolarHBondContact O-N 3.06Å; E168-D171 PolarHBondContact O-N 3.46Å; D171-S175 WeakPolarHBondContact O-CB 3.03Å; D171-S175 PolarHBondContact O-N 3.3Å; D171-S175 PolarHBondContact O-OG 2.82Å |
| 172 | E | 94.9 | Very high | 95.3 | Very high | 120 Ų | 120 | 64.3 Ų | 64.3 | 56% | 0.561 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.1 | -50.5 | 174.1 | -72.6 | -173.5 | -178.5 | 0 | 0 | 111.7 | E168 S174 S175 L176 | E168-E172 WeakPolarHBondContact O-CG 3.3Å; E168-E172 PolarHBondContact O-N 3.09Å; E172-S174 VanDerWaalsContact C-N 3.33Å; E172-S174 PolarHBondContact O-N 3.38Å; E172-S175 PolarHBondContact O-N 3.04Å; E172-L176 WeakPolarHBondContact O-CB 3.38Å; E172-L176 PolarHBondContact O-N 2.88Å |
| 173 | L | 94.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 65.4 Ų | 65.4 | 2% | 0.021 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 177.4 | -72.8 | 172.4 | 0 | 0 | 0 | 111.7 | L116 Q140 V142 T165 D169 S175 L176 L177 L181 | L116-L173 HydrophobicContact CD1-CD2 4.18Å; Q140-L173 HydrophobicContact CG-CD2 3.51Å; V142-L173 HydrophobicContact CG2-CD1 4.27Å; T165-L173 HydrophobicContact CG2-CD1 4.44Å; D169-L173 VanDerWaalsContact O-CB 3.26Å; D169-L173 WeakPolarHBondContact O-CB 3.26Å; D169-L173 WeakPolarHBondContact O-CG 3.39Å; D169-L173 PolarHBondContact O-N 2.92Å; L173-S175 VanDerWaalsContact C-N 3.32Å; L173-S175 PolarHBondContact O-N 2.84Å; L173-L176 PolarHBondContact O-N 3.28Å; L173-L177 WeakPolarHBondContact O-CB 3.41Å; L173-L177 VanDerWaalsContact O-CG 3.3Å; L173-L177 WeakPolarHBondContact O-CG 3.32Å; L173-L177 PolarHBondContact O-N 3.34Å; L173-L181 HydrophobicContact CB-CD1 3.34Å |
| 174 | S | 95.4 | Very high | 95.3 | Very high | 29 Ų | 29 | 63.7 Ų | 63.7 | 20% | 0.203 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | 177.7 | -177.4 | 0 | 0 | 0 | 0 | 111.3 | Q170 E172 Q178 V179 | Q170-S174 WeakPolarHBondContact O-CB 3.4Å; Q170-S174 PolarHBondContact O-N 3.29Å; E172-S174 VanDerWaalsContact C-N 3.33Å; E172-S174 PolarHBondContact O-N 3.38Å; S174-Q178 WeakPolarHBondContact O-CA 3.41Å; S174-Q178 PolarHBondContact O-N 3.48Å; S174-V179 WeakPolarHBondContact CA-O 3.41Å; S174-V179 WeakPolarHBondContact CB-O 3.41Å; S174-V179 PolarHBondContact O-N 3Å; S174-V179 PolarHBondContact OG-O 3.19Å |
| 175 | S | 95.2 | Very high | 95.3 | Very high | 94 Ų | 94 | 58.1 Ų | 58.1 | 66% | 0.657 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -65.5 | -40.4 | 174.9 | -60.2 | 0 | 0 | 0 | 0 | 112 | D171 E172 L173 | D171-S175 WeakPolarHBondContact O-CB 3.03Å; D171-S175 PolarHBondContact O-N 3.3Å; D171-S175 PolarHBondContact O-OG 2.82Å; E172-S175 PolarHBondContact O-N 3.04Å; L173-S175 VanDerWaalsContact C-N 3.32Å; L173-S175 PolarHBondContact O-N 2.84Å |
| 176 | L | 93.8 | Very high | 95.4 | Very high | 53 Ų | 53 | 57.8 Ų | 57.8 | 28% | 0.277 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67 | -46.8 | 178.1 | -174 | 67.5 | 0 | 0 | 0 | 112.3 | L116 F138 E172 L173 Q178 | L116-L176 HydrophobicContact CD2-CD2 3.97Å; F138-L176 HydrophobicContact CB-CD2 3.86Å; F138-L176 HydrophobicContact CD1-CD1 3.74Å; F138-L176 HydrophobicContact CD1-CD2 4.47Å; F138-L176 HydrophobicContact CD1-CG 4.47Å; F138-L176 HydrophobicContact CD2-CD1 3.8Å; F138-L176 HydrophobicContact CD2-CD2 4.05Å; F138-L176 HydrophobicContact CD2-CG 3.81Å; F138-L176 HydrophobicContact CE1-CD1 3.7Å; F138-L176 HydrophobicContact CE2-CD1 3.77Å; F138-L176 HydrophobicContact CE2-CG 4.09Å; F138-L176 HydrophobicContact CG-CD1 3.79Å; F138-L176 HydrophobicContact CG-CD2 3.88Å; F138-L176 HydrophobicContact CG-CG 4.03Å; F138-L176 HydrophobicContact CZ-CD1 3.73Å; E172-L176 WeakPolarHBondContact O-CB 3.38Å; E172-L176 PolarHBondContact O-N 2.88Å; L173-L176 PolarHBondContact O-N 3.28Å; L176-Q178 VanDerWaalsContact C-N 3.3Å |
| 177 | L | 94.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -81.2 | -11.5 | -178.2 | -62.6 | -176.8 | 0 | 0 | 0 | 113.4 | V114 L116 F154 L173 V179 L181 | V114-L177 HydrophobicContact CB-CD2 4.16Å; V114-L177 HydrophobicContact CG1-CD2 3.52Å; L116-L177 HydrophobicContact CD1-CD1 4.14Å; L116-L177 HydrophobicContact CD1-CD2 4.21Å; L116-L177 HydrophobicContact CD2-CD2 3.72Å; L116-L177 HydrophobicContact CG-CD2 3.83Å; F154-L177 HydrophobicContact CD1-CD1 3.98Å; F154-L177 HydrophobicContact CD2-CD1 4.02Å; F154-L177 HydrophobicContact CD2-CD2 4.48Å; F154-L177 HydrophobicContact CE1-CD1 4.06Å; F154-L177 HydrophobicContact CE1-CD2 4.29Å; F154-L177 HydrophobicContact CE2-CD1 4.1Å; F154-L177 HydrophobicContact CE2-CD2 3.79Å; F154-L177 HydrophobicContact CE2-CG 4.42Å; F154-L177 HydrophobicContact CG-CD1 3.95Å; F154-L177 HydrophobicContact CZ-CD1 4.13Å; F154-L177 HydrophobicContact CZ-CD2 3.68Å; L173-L177 WeakPolarHBondContact O-CB 3.41Å; L173-L177 VanDerWaalsContact O-CG 3.3Å; L173-L177 WeakPolarHBondContact O-CG 3.32Å; L173-L177 PolarHBondContact O-N 3.34Å; L177-V179 HydrophobicContact CB-CG2 3.79Å; L177-V179 PolarHBondContact O-N 2.67Å; L177-L181 HydrophobicContact CD1-CD1 4.03Å; L177-L181 HydrophobicContact CD1-CD2 4.13Å |
| 178 | Q | 94.4 | Very high | 95.5 | Very high | 168 Ų | 168 | 58.7 Ų | 58.7 | 79% | 0.785 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 26.8 | -175.1 | -54 | -173 | -30.5 | 0 | 0 | 113.9 | S174 L176 | S174-Q178 WeakPolarHBondContact O-CA 3.41Å; S174-Q178 PolarHBondContact O-N 3.48Å; L176-Q178 VanDerWaalsContact C-N 3.3Å |
| 179 | V | 96 | Very high | 95.5 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 6% | 0.055 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -135.9 | 147.8 | 178.6 | -60.3 | 0 | 0 | 0 | 0 | 110.4 | F154 N156 S174 L177 L181 | F154-V179 HydrophobicContact CD2-CG2 4.47Å; N156-V179 WeakPolarHBondContact O-CG1 3.48Å; S174-V179 WeakPolarHBondContact CA-O 3.41Å; S174-V179 WeakPolarHBondContact CB-O 3.41Å; S174-V179 PolarHBondContact O-N 3Å; S174-V179 PolarHBondContact OG-O 3.19Å; L177-V179 HydrophobicContact CB-CG2 3.79Å; L177-V179 PolarHBondContact O-N 2.67Å; V179-L181 HydrophobicContact CG2-CD2 4.26Å; V179-L181 PolarHBondContact O-N 3.42Å |
| 180 | P | 95.9 | Very high | 95.6 | Very high | 61 Ų | 61 | 51.9 Ų | 51.9 | 40% | 0.396 | 29% | 0.29 | S | S | . | . | trans | -64.1 | 134.2 | 176.2 | 27.1 | -34.8 | 0 | 0 | 0 | 110.7 | Q157 G158 G159 | Q157-P180 VanDerWaalsContact O-CD 3.32Å; Q157-P180 WeakPolarHBondContact O-CD 3.25Å; Q157-P180 WeakPolarHBondContact O-CG 3.49Å; G158-P180 CarbonylContact C-O 3.54Å; G158-P180 VanDerWaalsContact CA-O 3.25Å; G158-P180 WeakPolarHBondContact CA-O 3.32Å; G159-P180 PolarHBondContact N-O 3.2Å | ||
| 181 | L | 96.2 | Very high | 95.6 | Very high | 17 Ų | 17 | 53.8 Ų | 53.8 | 9% | 0.089 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 143.5 | 176.2 | -63.9 | 179.3 | 0 | 0 | 0 | 110.9 | G159 V161 L173 L177 V179 | G159-L181 WeakPolarHBondContact O-CA 3.28Å; V161-L181 HydrophobicContact CG1-CD1 4.13Å; V161-L181 HydrophobicContact CG1-CD2 4.3Å; L173-L181 HydrophobicContact CB-CD1 3.34Å; L177-L181 HydrophobicContact CD1-CD1 4.03Å; L177-L181 HydrophobicContact CD1-CD2 4.13Å; V179-L181 HydrophobicContact CG2-CD2 4.26Å; V179-L181 PolarHBondContact O-N 3.42Å |
| 182 | V | 96 | Very high | 95.6 | Very high | 54 Ų | 54 | 50.6 Ų | 50.6 | 33% | 0.327 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 136.7 | 174 | 175.4 | 0 | 0 | 0 | 0 | 109 | G159 L160 V161 V217 V221 | G159-V182 PolarHBondContact O-N 3.05Å; L160-V182 WeakPolarHBondContact CA-O 3.47Å; L160-V182 HydrophobicContact CD1-CB 4.5Å; L160-V182 WeakPolarHBondContact CD1-O 3.43Å; V161-V182 PolarHBondContact N-O 3.22Å; V182-V217 HydrophobicContact CG1-CG1 3.88Å; V182-V221 HydrophobicContact CB-CB 4.49Å; V182-V221 HydrophobicContact CB-CG2 4.09Å; V182-V221 HydrophobicContact CG2-CB 4.18Å; V182-V221 HydrophobicContact CG2-CG2 3.69Å |
| 183 | A | 96.4 | Very high | 95.6 | Very high | 28 Ų | 28 | 44.9 Ų | 44.9 | 23% | 0.231 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 130.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | V161 | V161-A183 HydrophobicContact CG2-CB 4.21Å; V161-A183 WeakPolarHBondContact O-CA 3.38Å |
| 184 | G | 95.4 | Very high | 95.7 | Very high | 14 Ų | 14 | 45.6 Ų | 45.6 | 14% | 0.144 | 26% | 0.263 | C | S | . | . | trans | -164.1 | -168.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | V161 P163 I193 | V161-G184 PolarHBondContact O-N 2.8Å; V161-G184 VanDerWaalsContact O-N 3.1Å; P163-G184 VanDerWaalsContact CD-O 3.3Å; P163-G184 WeakPolarHBondContact CD-O 3.34Å; G184-I193 WeakPolarHBondContact O-CD1 3.25Å | ||
| 185 | T | 97.1 | Very high | 95.7 | Very high | 38 Ų | 38 | 44.2 Ų | 44.2 | 23% | 0.233 | 25% | 0.253 | C | S | . | . | trans | -137.2 | 164.4 | -178.7 | 58.1 | 0 | 0 | 0 | 0 | 111 | P163 S190 E214 | P163-T185 HydrophobicContact CB-CG2 3.92Å; P163-T185 HydrophobicContact CG-CG2 3.82Å; T185-S190 WeakPolarHBondContact CA-O 3.2Å; T185-S190 WeakPolarHBondContact CB-O 3.47Å; T185-E214 WeakPolarHBondContact CB-OE1 3.48Å; T185-E214 VanDerWaalsContact O-CG 3.3Å; T185-E214 WeakPolarHBondContact O-CG 3.46Å; T185-E214 PolarHBondContact OG1-OE1 3.01Å | ||
| 186 | V | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -130.2 | 166.8 | 173.5 | -65.7 | 0 | 0 | 0 | 0 | 109.5 | L160 R188 G189 S190 I193 M197 | L160-V186 HydrophobicContact CD2-CG1 4.15Å; V186-R188 VanDerWaalsContact C-N 3.34Å; V186-R188 PolarHBondContact O-N 3.23Å; V186-G189 PolarHBondContact O-N 3.18Å; V186-S190 PolarHBondContact N-O 3.04Å; V186-S190 VanDerWaalsContact N-O 3.08Å; V186-S190 WeakPolarHBondContact O-CA 3.49Å; V186-S190 WeakPolarHBondContact O-CB 3.3Å; V186-S190 PolarHBondContact O-N 3.08Å; V186-I193 HydrophobicContact CG1-CD1 4.49Å; V186-I193 HydrophobicContact CG2-CD1 4.38Å; V186-M197 HydrophobicContact CG1-CB 4.41Å; V186-M197 HydrophobicContact CG1-CG 4.14Å; V186-M197 HydrophobicContact CG1-SD 3.88Å |
| 187 | N | 96.4 | Very high | 95.9 | Very high | 19 Ų | 19 | 37.2 Ų | 37.2 | 10% | 0.102 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 42.5 | 173.1 | -66.3 | -26.4 | 0 | 0 | 0 | 115.3 | C11 E12 G196 G207 D209 T210 | C11-N187 HydrophobicContact CB-CB 4.46Å; C11-N187 PolarHBondContact O-ND2 3.02Å; E12-N187 PolarHBondContact OE2-ND2 2.88Å; E12-N187 VanDerWaalsContact OE2-ND2 3.15Å; N187-G196 WeakPolarHBondContact ND2-CA 3.4Å; N187-G207 WeakPolarHBondContact OD1-CA 3.43Å; N187-G207 PolarHBondContact OD1-O 3.23Å; N187-D209 HydrophobicContact CB-CB 4.39Å; N187-T210 PolarHBondContact N-OG1 3Å; N187-T210 VanDerWaalsContact N-OG1 3.07Å; N187-T210 PolarHBondContact OD1-OG1 3.44Å |
| 188 | R | 95.4 | Very high | 96 | Very high | 175 Ų | 175 | 37.8 Ų | 37.8 | 66% | 0.66 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 51.4 | -177.8 | -48.9 | -177.8 | -173.1 | 174.2 | 9.2 | 113.7 | V186 D209 T211 E214 | V186-R188 VanDerWaalsContact C-N 3.34Å; V186-R188 PolarHBondContact O-N 3.23Å; R188-D209 HydrophobicContact CG-CB 4.14Å; R188-D209 WeakPolarHBondContact CG-O 3.39Å; R188-D209 IonicContact CZ-OD1 2.89Å; R188-D209 VanDerWaalsContact CZ-OD1 3.22Å; R188-D209 IonicContact NE-OD1 3.82Å; R188-D209 PolarHBondContact NE-OD1 3.3Å; R188-D209 IonicContact NH2-OD1 3.23Å; R188-D209 PolarHBondContact NH2-OD1 2.91Å; R188-T211 HydrophobicContact CB-CG2 4.45Å; R188-T211 HydrophobicContact CG-CG2 3.89Å; R188-E214 PolarHBondContact N-OE1 3.1Å; R188-E214 PolarHBondContact N-OE2 2.94Å |
| 189 | G | 95.4 | Very high | 96.1 | Very high | 45 Ų | 45 | 30.4 Ų | 30.4 | 46% | 0.464 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.2 | 12 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115 | V186 E191 E214 | V186-G189 PolarHBondContact O-N 3.18Å; G189-E191 PolarHBondContact O-N 3.03Å; G189-E214 PolarHBondContact N-OE1 2.99Å |
| 190 | S | 96.4 | Very high | 96 | Very high | 27 Ų | 27 | 30.1 Ų | 30.1 | 19% | 0.189 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -65 | 127.6 | 168.9 | -173.1 | 0 | 0 | 0 | 0 | 109.9 | T185 V186 V192 | T185-S190 WeakPolarHBondContact CA-O 3.2Å; T185-S190 WeakPolarHBondContact CB-O 3.47Å; V186-S190 PolarHBondContact N-O 3.04Å; V186-S190 VanDerWaalsContact N-O 3.08Å; V186-S190 WeakPolarHBondContact O-CA 3.49Å; V186-S190 WeakPolarHBondContact O-CB 3.3Å; V186-S190 PolarHBondContact O-N 3.08Å; S190-V192 VanDerWaalsContact C-N 3.33Å; S190-V192 PolarHBondContact OG-N 3.22Å |
| 191 | E | 95 | Very high | 95.9 | Very high | 71 Ų | 71 | 29.1 Ų | 29.1 | 33% | 0.332 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -84.7 | -9.6 | 177 | 66 | -172 | -167.3 | 0 | 0 | 112.5 | Y151 H162 P163 K164 G189 I193 | Y151-E191 HydrophobicContact CE1-CG 4.49Å; H162-E191 IonicContact CE1-OE2 3.94Å; H162-E191 WeakPolarHBondContact NE2-CB 2.87Å; H162-E191 VanDerWaalsContact NE2-CD 3.32Å; H162-E191 IonicContact NE2-OE1 3.22Å; H162-E191 IonicContact NE2-OE2 3.79Å; H162-E191 PolarHBondContact NE2-OE2 3.13Å; P163-E191 HydrophobicContact CG-CB 3.94Å; K164-E191 IonicContact NZ-OE2 3.27Å; G189-E191 PolarHBondContact O-N 3.03Å; E191-I193 PolarHBondContact O-N 3.23Å; E191-I193 VanDerWaalsContact O-N 3.1Å |
| 192 | V | 95.9 | Very high | 95.7 | Very high | 35 Ų | 35 | 31.9 Ų | 31.9 | 21% | 0.212 | 18% | 0.177 | C | C | . | . | trans | -88.2 | 74.9 | -179.9 | -161.8 | 0 | 0 | 0 | 0 | 110 | S150 Y151 S190 A194 A195 G196 | S150-V192 CarbonylContact O-C 3.48Å; Y151-V192 HydrophobicContact CE1-CG2 4.28Å; S190-V192 VanDerWaalsContact C-N 3.33Å; S190-V192 PolarHBondContact OG-N 3.22Å; V192-A194 PolarHBondContact O-N 3.29Å; V192-A195 HydrophobicContact CB-CB 3.95Å; V192-A195 HydrophobicContact CG1-CB 3.66Å; V192-A195 WeakPolarHBondContact O-CB 3.12Å; V192-A195 PolarHBondContact O-N 2.9Å; V192-G196 PolarHBondContact O-N 3.49Å | ||
| 193 | I | 96.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -53.6 | -48.8 | -170.8 | -53 | -51.8 | 0 | 0 | 0 | 112.9 | S150 V153 L160 G184 V186 E191 A195 G196 M197 | S150-I193 PolarHBondContact O-N 3.3Å; V153-I193 HydrophobicContact CB-CG2 4.05Å; V153-I193 HydrophobicContact CG2-CB 4.37Å; V153-I193 HydrophobicContact CG2-CG2 3.84Å; L160-I193 HydrophobicContact CB-CG2 4.08Å; L160-I193 HydrophobicContact CD2-CD1 4.05Å; L160-I193 HydrophobicContact CD2-CG2 3.75Å; L160-I193 HydrophobicContact CG-CD1 4.45Å; L160-I193 HydrophobicContact CG-CG2 4.16Å; G184-I193 WeakPolarHBondContact O-CD1 3.25Å; V186-I193 HydrophobicContact CG1-CD1 4.49Å; V186-I193 HydrophobicContact CG2-CD1 4.38Å; E191-I193 PolarHBondContact O-N 3.23Å; E191-I193 VanDerWaalsContact O-N 3.1Å; I193-A195 PolarHBondContact O-N 3.27Å; I193-G196 PolarHBondContact O-N 3.3Å; I193-M197 HydrophobicContact CG2-CG 3.93Å; I193-M197 HydrophobicContact CG2-SD 3.82Å; I193-M197 WeakPolarHBondContact O-CG 3.36Å; I193-M197 PolarHBondContact O-N 2.91Å |
| 194 | A | 96.4 | Very high | 95.5 | Very high | 18 Ų | 18 | 28.2 Ų | 28.2 | 15% | 0.149 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70.1 | -17.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | G14 G149 S150 V153 V192 | G14-A194 CarbonylContact C-O 3.55Å; G14-A194 WeakPolarHBondContact CA-O 3.39Å; G149-A194 WeakPolarHBondContact O-CB 3.32Å; S150-A194 PolarHBondContact O-N 3.1Å; S150-A194 VanDerWaalsContact O-N 3.13Å; V153-A194 HydrophobicContact CG2-CB 3.5Å; V153-A194 VanDerWaalsContact CG2-CB 3.5Å; V192-A194 PolarHBondContact O-N 3.29Å |
| 195 | A | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71 | -45.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | E12 I13 G14 V192 I193 | E12-A195 CarbonylContact C-O 3.53Å; E12-A195 WeakPolarHBondContact CA-O 3.33Å; E12-A195 HydrophobicContact CB-CB 4.11Å; E12-A195 HydrophobicContact CG-CB 4.2Å; E12-A195 WeakPolarHBondContact OE2-CB 3.39Å; I13-A195 PolarHBondContact N-O 2.9Å; G14-A195 WeakPolarHBondContact CA-O 3.33Å; G14-A195 PolarHBondContact N-O 3.41Å; V192-A195 HydrophobicContact CB-CB 3.95Å; V192-A195 HydrophobicContact CG1-CB 3.66Å; V192-A195 WeakPolarHBondContact O-CB 3.12Å; V192-A195 PolarHBondContact O-N 2.9Å; I193-A195 PolarHBondContact O-N 3.27Å |
| 196 | G | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -90.1 | -11.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E12 N187 V192 I193 C206 G207 | E12-G196 VanDerWaalsContact OE2-CA 3.26Å; E12-G196 WeakPolarHBondContact OE2-CA 3.36Å; E12-G196 PolarHBondContact OE2-N 3.23Å; E12-G196 VanDerWaalsContact OE2-N 3.1Å; N187-G196 WeakPolarHBondContact ND2-CA 3.4Å; V192-G196 PolarHBondContact O-N 3.49Å; I193-G196 PolarHBondContact O-N 3.3Å; G196-C206 CarbonylContact O-C 3.25Å; G196-C206 WeakPolarHBondContact O-CA 3.4Å; G196-G207 PolarHBondContact O-N 3.34Å |
| 197 | M | 96.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 157 | 178.2 | 68.4 | 176.5 | -63.1 | 0 | 0 | 114.5 | L160 V186 I193 V199 A204 F205 C206 V218 F222 | L160-M197 HydrophobicContact CD2-SD 3.87Å; V186-M197 HydrophobicContact CG1-CB 4.41Å; V186-M197 HydrophobicContact CG1-CG 4.14Å; V186-M197 HydrophobicContact CG1-SD 3.88Å; I193-M197 HydrophobicContact CG2-CG 3.93Å; I193-M197 HydrophobicContact CG2-SD 3.82Å; I193-M197 WeakPolarHBondContact O-CG 3.36Å; I193-M197 PolarHBondContact O-N 2.91Å; M197-V199 HydrophobicContact CE-CB 4.13Å; M197-V199 HydrophobicContact CE-CG1 4.43Å; M197-A204 HydrophobicContact CE-CB 4.34Å; M197-F205 CarbonylContact C-O 3.54Å; M197-F205 WeakPolarHBondContact CA-O 3.41Å; M197-F205 VanDerWaalsContact CB-O 3.26Å; M197-F205 WeakPolarHBondContact CB-O 3.46Å; M197-C206 HydrophobicContact CB-CB 4.46Å; M197-V218 HydrophobicContact CE-CG1 3.67Å; M197-V218 HydrophobicContact CE-CG2 4.07Å; M197-V218 HydrophobicContact SD-CG2 4.05Å; M197-F222 HydrophobicContact CE-CD2 4.33Å; M197-F222 HydrophobicContact CE-CE2 3.7Å; M197-F222 HydrophobicContact CE-CZ 4.19Å |
| 198 | V | 96.5 | Very high | 95.5 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 8% | 0.079 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 146.3 | 167.3 | -66.6 | 0 | 0 | 0 | 0 | 108.9 | A17 L19 F38 A204 F205 | A17-V198 HydrophobicContact CB-CG2 4.46Å; L19-V198 HydrophobicContact CB-CB 3.93Å; L19-V198 HydrophobicContact CB-CG2 4.07Å; L19-V198 HydrophobicContact CD2-CG2 4.44Å; F38-V198 HydrophobicContact CE1-CG2 3.84Å; F38-V198 HydrophobicContact CZ-CG2 3.94Å; V198-A204 CarbonylContact O-C 3.56Å; V198-A204 WeakPolarHBondContact O-CA 3.46Å; V198-F205 HydrophobicContact CG2-CB 3.88Å; V198-F205 HydrophobicContact CG2-CD2 4.12Å; V198-F205 HydrophobicContact CG2-CG 4.42Å; V198-F205 PolarHBondContact N-O 2.66Å; V198-F205 PolarHBondContact O-N 3.04Å |
| 199 | V | 96.5 | Very high | 95.5 | Very high | 13 Ų | 13 | 23.9 Ų | 23.9 | 8% | 0.079 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 147 | -171.3 | 64.6 | 0 | 0 | 0 | 0 | 110.8 | V153 M197 A204 F222 | V153-V199 HydrophobicContact CG1-CG1 3.38Å; M197-V199 HydrophobicContact CE-CB 4.13Å; M197-V199 HydrophobicContact CE-CG1 4.43Å; V199-A204 HydrophobicContact CB-CB 4.08Å; V199-A204 HydrophobicContact CG2-CB 3.8Å; V199-F222 HydrophobicContact CB-CD1 4.35Å; V199-F222 HydrophobicContact CB-CE1 4.15Å; V199-F222 HydrophobicContact CB-CZ 4.41Å; V199-F222 HydrophobicContact CG1-CD1 4.05Å; V199-F222 HydrophobicContact CG1-CE1 3.42Å; V199-F222 VanDerWaalsContact CG1-CE1 3.42Å; V199-F222 HydrophobicContact CG1-CZ 3.72Å; V199-F222 HydrophobicContact CG2-CB 4.25Å; V199-F222 HydrophobicContact CG2-CD1 3.44Å; V199-F222 VanDerWaalsContact CG2-CD1 3.44Å; V199-F222 HydrophobicContact CG2-CD2 4.23Å; V199-F222 HydrophobicContact CG2-CE1 3.73Å; V199-F222 HydrophobicContact CG2-CE2 4.49Å; V199-F222 HydrophobicContact CG2-CG 3.73Å; V199-F222 HydrophobicContact CG2-CZ 4.27Å |
| 200 | N | 94.5 | Very high | 95.6 | Very high | 3 Ų | 3 | 21.9 Ų | 21.9 | 2% | 0.016 | 12% | 0.116 | C | C | . | . | trans | -127.7 | -168 | 164.4 | 71.6 | 9.5 | 0 | 0 | 0 | 109.1 | L19 N21 W202 C203 | L19-N200 HydrophobicContact CD2-CB 4.01Å; L19-N200 HydrophobicContact CG-CB 3.94Å; N21-N200 WeakPolarHBondContact OD1-CB 3.36Å; N200-W202 WeakPolarHBondContact ND2-CH2 3.4Å; N200-W202 WeakPolarHBondContact ND2-CZ2 3.24Å; N200-W202 PolarHBondContact O-N 3.44Å; N200-W202 PolarHBondContact OD1-N 3.32Å; N200-C203 VanDerWaalsContact CG-SG 3.56Å; N200-C203 PolarHBondContact N-O 2.75Å; N200-C203 PolarHBondContact ND2-SG 3.25Å; N200-C203 PolarHBondContact OD1-N 3.44Å; N200-C203 PolarHBondContact OD1-O 3.31Å; N200-C203 VanDerWaalsContact OD1-O 3.08Å; N200-C203 PolarHBondContact OD1-SG 2.79Å | ||
| 201 | D | 92.8 | Very high | 95.6 | Very high | 40 Ų | 40 | 23 Ų | 23 | 21% | 0.214 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -71.3 | -11.3 | -173 | -67.6 | -13.1 | 0 | 0 | 0 | 114.7 | N21 S155 N156 Q157 | N21-D201 VanDerWaalsContact ND2-CG 3.26Å; N21-D201 PolarHBondContact ND2-OD2 3.41Å; N21-D201 PolarHBondContact OD1-N 3.21Å; N21-D201 VanDerWaalsContact OD1-N 3.11Å; S155-D201 WeakPolarHBondContact CB-OD1 3.38Å; N156-D201 WeakPolarHBondContact CB-OD1 3.35Å; N156-D201 PolarHBondContact N-OD1 3.17Å; N156-D201 PolarHBondContact ND2-OD1 3Å; N156-D201 PolarHBondContact ND2-OD2 2.86Å; Q157-D201 HydrophobicContact CG-CB 4.33Å |
| 202 | W | 92.4 | Very high | 95.6 | Very high | 75 Ų | 75 | 23.8 Ų | 23.8 | 28% | 0.284 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -131.4 | -17.2 | -175.4 | 65.4 | 88.3 | 0 | 0 | 0 | 115.3 | M1 N21 T45 I46 N200 | M1-W202 PolarHBondContact N-O 3.21Å; N21-W202 HydrophobicContact CB-CH2 4.38Å; N21-W202 HydrophobicContact CB-CZ3 3.99Å; N21-W202 VanDerWaalsContact O-CH2 3.28Å; N21-W202 WeakPolarHBondContact O-CH2 3.37Å; N21-W202 WeakPolarHBondContact OD1-CZ3 3.3Å; T45-W202 HydrophobicContact CG2-CH2 4.28Å; T45-W202 HydrophobicContact CG2-CZ2 3.82Å; I46-W202 HydrophobicContact CD1-CZ2 4.14Å; I46-W202 HydrophobicContact CG1-CZ2 4.44Å; I46-W202 HydrophobicContact CG2-CH2 3.91Å; I46-W202 HydrophobicContact CG2-CZ2 3.97Å; N200-W202 WeakPolarHBondContact ND2-CH2 3.4Å; N200-W202 WeakPolarHBondContact ND2-CZ2 3.24Å; N200-W202 PolarHBondContact O-N 3.44Å; N200-W202 PolarHBondContact OD1-N 3.32Å |
| 203 | C | 93.4 | Very high | 95.5 | Very high | 6 Ų | 6 | 27.1 Ų | 27.1 | 4% | 0.041 | 16% | 0.155 | C | C | . | . | trans | -141.4 | 150.8 | 178.1 | 69.8 | 0 | 0 | 0 | 0 | 111.9 | M1 L42 N200 | M1-C203 WeakPolarHBondContact O-CA 3.48Å; L42-C203 WeakPolarHBondContact CD2-SG 3.29Å; N200-C203 VanDerWaalsContact CG-SG 3.56Å; N200-C203 PolarHBondContact N-O 2.75Å; N200-C203 PolarHBondContact ND2-SG 3.25Å; N200-C203 PolarHBondContact OD1-N 3.44Å; N200-C203 PolarHBondContact OD1-O 3.31Å; N200-C203 VanDerWaalsContact OD1-O 3.08Å; N200-C203 PolarHBondContact OD1-SG 2.79Å | ||
| 204 | A | 95.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 146.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | M1 A2 V3 M197 V198 V199 V218 L224 | M1-A204 PolarHBondContact O-N 3.28Å; M1-A204 VanDerWaalsContact O-N 3.1Å; A2-A204 CarbonylContact C-O 3.59Å; A2-A204 WeakPolarHBondContact CA-O 3.44Å; A2-A204 HydrophobicContact CB-CB 4.25Å; V3-A204 PolarHBondContact N-O 3.43Å; M197-A204 HydrophobicContact CE-CB 4.34Å; V198-A204 CarbonylContact O-C 3.56Å; V198-A204 WeakPolarHBondContact O-CA 3.46Å; V199-A204 HydrophobicContact CB-CB 4.08Å; V199-A204 HydrophobicContact CG2-CB 3.8Å; A204-V218 HydrophobicContact CB-CG1 3.95Å; A204-L224 HydrophobicContact CB-CD1 3.45Å; A204-L224 VanDerWaalsContact CB-CD1 3.45Å |
| 205 | F | 96.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131.1 | 167.2 | -58.2 | -94.5 | 0 | 0 | 0 | 107.4 | V3 I13 L19 V37 F38 E41 L42 M197 V198 | V3-F205 HydrophobicContact CB-CD1 4.02Å; V3-F205 HydrophobicContact CB-CE1 4.24Å; V3-F205 HydrophobicContact CG1-CD1 4.43Å; V3-F205 CarbonylContact O-C 3.53Å; V3-F205 VanDerWaalsContact O-CA 3.3Å; V3-F205 WeakPolarHBondContact O-CA 3.36Å; I13-F205 VanDerWaalsContact CD1-C 3.45Å; I13-F205 HydrophobicContact CD1-CB 3.62Å; I13-F205 WeakPolarHBondContact CD1-O 3.49Å; L19-F205 HydrophobicContact CD2-CD2 3.88Å; L19-F205 HydrophobicContact CD2-CE2 3.91Å; V37-F205 HydrophobicContact CG1-CD1 3.97Å; V37-F205 HydrophobicContact CG1-CE1 3.91Å; F38-F205 HydrophobicContact CD1-CD1 4.38Å; F38-F205 AromaticContact CD1-CD2 4Å; F38-F205 HydrophobicContact CD1-CD2 4Å; F38-F205 HydrophobicContact CD1-CE1 4.22Å; F38-F205 AromaticContact CD1-CE2 3.83Å; F38-F205 HydrophobicContact CD1-CE2 3.83Å; F38-F205 HydrophobicContact CD1-CG 4.26Å; F38-F205 AromaticContact CD1-CZ 3.94Å; F38-F205 HydrophobicContact CD1-CZ 3.94Å; F38-F205 HydrophobicContact CD2-CD1 4.46Å; F38-F205 HydrophobicContact CE1-CB 4.21Å; F38-F205 HydrophobicContact CE1-CD1 4.16Å; F38-F205 AromaticContact CE1-CD2 3.52Å; F38-F205 HydrophobicContact CE1-CD2 3.52Å; F38-F205 HydrophobicContact CE1-CE1 4.44Å; F38-F205 AromaticContact CE1-CE2 3.85Å; F38-F205 HydrophobicContact CE1-CE2 3.85Å; F38-F205 AromaticContact CE1-CG 3.68Å; F38-F205 HydrophobicContact CE1-CG 3.68Å; F38-F205 HydrophobicContact CE1-CZ 4.29Å; F38-F205 HydrophobicContact CE2-CD1 4.23Å; F38-F205 HydrophobicContact CE2-CG 4.31Å; F38-F205 HydrophobicContact CG-CE1 4.29Å; F38-F205 HydrophobicContact CG-CZ 4.33Å; F38-F205 HydrophobicContact CZ-CB 3.85Å; F38-F205 HydrophobicContact CZ-CD1 4.09Å; F38-F205 HydrophobicContact CZ-CD2 4.04Å; F38-F205 AromaticContact CZ-CG 3.71Å; F38-F205 HydrophobicContact CZ-CG 3.71Å; E41-F205 HydrophobicContact CB-CE1 4.27Å; E41-F205 HydrophobicContact CB-CZ 3.87Å; E41-F205 HydrophobicContact CG-CE1 4.16Å; E41-F205 HydrophobicContact CG-CZ 4.26Å; L42-F205 HydrophobicContact CD1-CE2 3.95Å; L42-F205 HydrophobicContact CD1-CZ 4.08Å; L42-F205 HydrophobicContact CD2-CE2 4.33Å; L42-F205 HydrophobicContact CD2-CZ 4.47Å; L42-F205 HydrophobicContact CG-CE2 4.2Å; L42-F205 HydrophobicContact CG-CZ 4.04Å; M197-F205 CarbonylContact C-O 3.54Å; M197-F205 WeakPolarHBondContact CA-O 3.41Å; M197-F205 VanDerWaalsContact CB-O 3.26Å; M197-F205 WeakPolarHBondContact CB-O 3.46Å; V198-F205 HydrophobicContact CG2-CB 3.88Å; V198-F205 HydrophobicContact CG2-CD2 4.12Å; V198-F205 HydrophobicContact CG2-CG 4.42Å; V198-F205 PolarHBondContact N-O 2.66Å; V198-F205 PolarHBondContact O-N 3.04Å |
| 206 | C | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 155.1 | 175.7 | -62 | 0 | 0 | 0 | 0 | 109.8 | V3 R4 A5 I13 G196 M197 T210 L215 | V3-C206 PolarHBondContact O-N 3.21Å; R4-C206 CarbonylContact C-O 3.5Å; R4-C206 VanDerWaalsContact CA-O 3.29Å; R4-C206 WeakPolarHBondContact CA-O 3.23Å; A5-C206 PolarHBondContact N-O 3.46Å; I13-C206 WeakPolarHBondContact CD1-O 3.39Å; G196-C206 CarbonylContact O-C 3.25Å; G196-C206 WeakPolarHBondContact O-CA 3.4Å; M197-C206 HydrophobicContact CB-CB 4.46Å; C206-T210 HydrophobicContact CB-CG2 4.02Å; C206-L215 HydrophobicContact CB-CD2 3.71Å |
| 207 | G | 96.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 152.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A5 C11 N187 G196 D209 T210 | A5-G207 CarbonylContact O-C 3.52Å; A5-G207 WeakPolarHBondContact O-CA 3.49Å; C11-G207 WeakPolarHBondContact O-CA 3.36Å; N187-G207 WeakPolarHBondContact OD1-CA 3.43Å; N187-G207 PolarHBondContact OD1-O 3.23Å; G196-G207 PolarHBondContact O-N 3.34Å; G207-D209 PolarHBondContact O-N 2.8Å; G207-D209 VanDerWaalsContact O-N 3.1Å; G207-T210 WeakPolarHBondContact O-CB 3.27Å; G207-T210 PolarHBondContact O-N 2.94Å; G207-T210 PolarHBondContact O-OG1 3.06Å |
| 208 | L | 94.8 | Very high | 95.2 | Very high | 96 Ų | 96 | 33 Ų | 33 | 50% | 0.503 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -32.4 | -173.5 | -176 | 65.2 | 0 | 0 | 0 | 113.4 | R4 A5 T210 | R4-L208 HydrophobicContact CB-CD1 4.41Å; A5-L208 PolarHBondContact O-N 2.9Å; L208-T210 VanDerWaalsContact C-N 3.29Å; L208-T210 PolarHBondContact O-N 2.84Å |
| 209 | D | 96.6 | Very high | 95.1 | Very high | 58 Ų | 58 | 34.2 Ų | 34.2 | 31% | 0.31 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -9.6 | 179.3 | -82.6 | -37.1 | 0 | 0 | 0 | 114.3 | C11 N187 R188 G207 T211 | C11-D209 HydrophobicContact CB-CB 4.37Å; C11-D209 PolarHBondContact SG-OD2 2.87Å; N187-D209 HydrophobicContact CB-CB 4.39Å; R188-D209 HydrophobicContact CG-CB 4.14Å; R188-D209 WeakPolarHBondContact CG-O 3.39Å; R188-D209 IonicContact CZ-OD1 2.89Å; R188-D209 VanDerWaalsContact CZ-OD1 3.22Å; R188-D209 IonicContact NE-OD1 3.82Å; R188-D209 PolarHBondContact NE-OD1 3.3Å; R188-D209 IonicContact NH2-OD1 3.23Å; R188-D209 PolarHBondContact NH2-OD1 2.91Å; G207-D209 PolarHBondContact O-N 2.8Å; G207-D209 VanDerWaalsContact O-N 3.1Å; D209-T211 PolarHBondContact O-N 3.33Å; D209-T211 VanDerWaalsContact O-N 3.16Å |
| 210 | T | 96.8 | Very high | 95 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | trans | -59.5 | 120.5 | 179.7 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | R4 N187 C206 G207 L208 E214 L215 | R4-T210 PolarHBondContact NE-O 2.97Å; R4-T210 PolarHBondContact NH2-O 3.33Å; N187-T210 PolarHBondContact N-OG1 3Å; N187-T210 VanDerWaalsContact N-OG1 3.07Å; N187-T210 PolarHBondContact OD1-OG1 3.44Å; C206-T210 HydrophobicContact CB-CG2 4.02Å; G207-T210 WeakPolarHBondContact O-CB 3.27Å; G207-T210 PolarHBondContact O-N 2.94Å; G207-T210 PolarHBondContact O-OG1 3.06Å; L208-T210 VanDerWaalsContact C-N 3.29Å; L208-T210 PolarHBondContact O-N 2.84Å; T210-E214 HydrophobicContact CG2-CB 3.61Å; T210-L215 HydrophobicContact CG2-CD2 3.68Å; T210-L215 HydrophobicContact CG2-CG 4.01Å | ||
| 211 | T | 96.2 | Very high | 95 | Very high | 50 Ų | 50 | 38.3 Ų | 38.3 | 31% | 0.307 | 22% | 0.224 | S | C | . | . | trans | -69.6 | 159.3 | -175.1 | 65 | 0 | 0 | 0 | 0 | 111.4 | R188 D209 T213 E214 L215 | R188-T211 HydrophobicContact CB-CG2 4.45Å; R188-T211 HydrophobicContact CG-CG2 3.89Å; D209-T211 PolarHBondContact O-N 3.33Å; D209-T211 VanDerWaalsContact O-N 3.16Å; T211-T213 PolarHBondContact O-N 2.94Å; T211-E214 WeakPolarHBondContact CB-OE2 3.39Å; T211-E214 WeakPolarHBondContact CG2-OE2 3.4Å; T211-E214 PolarHBondContact N-OE2 3.01Å; T211-E214 PolarHBondContact O-N 2.89Å; T211-E214 WeakPolarHBondContact OG1-CB 3.27Å; T211-E214 VanDerWaalsContact OG1-CD 3.31Å; T211-E214 WeakPolarHBondContact OG1-CG 3.41Å; T211-E214 PolarHBondContact OG1-N 2.7Å; T211-E214 PolarHBondContact OG1-OE2 2.72Å; T211-L215 PolarHBondContact O-N 3.3Å | ||
| 212 | S | 94.7 | Very high | 95.1 | Very high | 89 Ų | 89 | 36.4 Ų | 36.4 | 62% | 0.622 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -63.8 | -29.1 | 178.1 | -58.5 | 0 | 0 | 0 | 0 | 112.7 | R4 S216 | R4-S212 PolarHBondContact NH2-OG 3.31Å; S212-S216 WeakPolarHBondContact O-CB 3.28Å; S212-S216 PolarHBondContact O-N 3.14Å |
| 213 | T | 94.6 | Very high | 95.1 | Very high | 104 Ų | 104 | 36.9 Ų | 36.9 | 64% | 0.638 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -66.7 | -48.3 | 173 | -49.4 | 0 | 0 | 0 | 0 | 110.8 | T211 L215 S216 V217 | T211-T213 PolarHBondContact O-N 2.94Å; T213-L215 VanDerWaalsContact C-N 3.34Å; T213-L215 PolarHBondContact O-N 3.33Å; T213-S216 PolarHBondContact O-N 2.98Å; T213-S216 PolarHBondContact O-OG 2.91Å; T213-V217 PolarHBondContact O-N 3.42Å |
| 214 | E | 96.7 | Very high | 94.8 | Very high | 17 Ų | 17 | 36.8 Ų | 36.8 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.7 | -43.6 | 175.6 | -70.3 | 166.5 | 144.4 | 0 | 0 | 111.3 | T185 R188 G189 T210 T211 S216 V217 V218 | T185-E214 WeakPolarHBondContact CB-OE1 3.48Å; T185-E214 VanDerWaalsContact O-CG 3.3Å; T185-E214 WeakPolarHBondContact O-CG 3.46Å; T185-E214 PolarHBondContact OG1-OE1 3.01Å; R188-E214 PolarHBondContact N-OE1 3.1Å; R188-E214 PolarHBondContact N-OE2 2.94Å; G189-E214 PolarHBondContact N-OE1 2.99Å; T210-E214 HydrophobicContact CG2-CB 3.61Å; T211-E214 WeakPolarHBondContact CB-OE2 3.39Å; T211-E214 WeakPolarHBondContact CG2-OE2 3.4Å; T211-E214 PolarHBondContact N-OE2 3.01Å; T211-E214 PolarHBondContact O-N 2.89Å; T211-E214 WeakPolarHBondContact OG1-CB 3.27Å; T211-E214 VanDerWaalsContact OG1-CD 3.31Å; T211-E214 WeakPolarHBondContact OG1-CG 3.41Å; T211-E214 PolarHBondContact OG1-N 2.7Å; T211-E214 PolarHBondContact OG1-OE2 2.72Å; E214-S216 VanDerWaalsContact C-N 3.35Å; E214-S216 PolarHBondContact O-N 3.04Å; E214-V217 PolarHBondContact O-N 3.3Å; E214-V218 WeakPolarHBondContact O-CG2 3.46Å; E214-V218 PolarHBondContact O-N 2.97Å |
| 215 | L | 94.9 | Very high | 93.8 | Very high | 12 Ų | 12 | 41.1 Ų | 41.1 | 6% | 0.063 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -41.7 | 174.8 | -74.5 | -166.5 | 0 | 0 | 0 | 112.8 | A2 R4 C206 T210 T211 T213 V217 V218 E219 | A2-L215 HydrophobicContact CB-CD2 4Å; R4-L215 HydrophobicContact CG-CD1 4.07Å; R4-L215 VanDerWaalsContact NH2-CD1 3.25Å; C206-L215 HydrophobicContact CB-CD2 3.71Å; T210-L215 HydrophobicContact CG2-CD2 3.68Å; T210-L215 HydrophobicContact CG2-CG 4.01Å; T211-L215 PolarHBondContact O-N 3.3Å; T213-L215 VanDerWaalsContact C-N 3.34Å; T213-L215 PolarHBondContact O-N 3.33Å; L215-V217 PolarHBondContact O-N 3.15Å; L215-V218 WeakPolarHBondContact O-CB 3.41Å; L215-V218 PolarHBondContact O-N 3.01Å; L215-V218 VanDerWaalsContact O-N 3.15Å; L215-E219 WeakPolarHBondContact O-CG 3.11Å; L215-E219 PolarHBondContact O-N 2.87Å |
| 216 | S | 94.2 | Very high | 92.1 | Very high | 62 Ų | 62 | 48 Ų | 48 | 43% | 0.434 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.4 | -33.8 | 179.3 | 70.1 | 0 | 0 | 0 | 0 | 112.4 | S212 T213 E214 S220 | S212-S216 WeakPolarHBondContact O-CB 3.28Å; S212-S216 PolarHBondContact O-N 3.14Å; T213-S216 PolarHBondContact O-N 2.98Å; T213-S216 PolarHBondContact O-OG 2.91Å; E214-S216 VanDerWaalsContact C-N 3.35Å; E214-S216 PolarHBondContact O-N 3.04Å; S216-S220 VanDerWaalsContact O-CB 3.3Å; S216-S220 WeakPolarHBondContact O-CB 3.3Å; S216-S220 PolarHBondContact O-N 3.4Å; S216-S220 VanDerWaalsContact O-N 3.09Å |
| 217 | V | 94.7 | Very high | 89.9 | Confident | 51 Ų | 51 | 51 Ų | 51 | 31% | 0.309 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.3 | -46.4 | 174 | 176.6 | 0 | 0 | 0 | 0 | 110.3 | L160 V182 T213 E214 L215 S220 V221 | L160-V217 HydrophobicContact CD1-CG1 4.18Å; V182-V217 HydrophobicContact CG1-CG1 3.88Å; T213-V217 PolarHBondContact O-N 3.42Å; E214-V217 PolarHBondContact O-N 3.3Å; L215-V217 PolarHBondContact O-N 3.15Å; V217-S220 PolarHBondContact O-N 2.98Å; V217-V221 WeakPolarHBondContact O-CG1 3.2Å; V217-V221 PolarHBondContact O-N 2.8Å |
| 218 | V | 95.1 | Very high | 87.5 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -57.5 | -51.6 | 176 | 169.2 | 0 | 0 | 0 | 0 | 110.7 | A2 L160 M197 A204 E214 L215 S220 V221 F222 L224 | A2-V218 HydrophobicContact CB-CG1 4.34Å; L160-V218 HydrophobicContact CD2-CG2 4.19Å; M197-V218 HydrophobicContact CE-CG1 3.67Å; M197-V218 HydrophobicContact CE-CG2 4.07Å; M197-V218 HydrophobicContact SD-CG2 4.05Å; A204-V218 HydrophobicContact CB-CG1 3.95Å; E214-V218 WeakPolarHBondContact O-CG2 3.46Å; E214-V218 PolarHBondContact O-N 2.97Å; L215-V218 WeakPolarHBondContact O-CB 3.41Å; L215-V218 PolarHBondContact O-N 3.01Å; L215-V218 VanDerWaalsContact O-N 3.15Å; V218-S220 VanDerWaalsContact C-N 3.27Å; V218-S220 PolarHBondContact O-N 3.29Å; V218-V221 PolarHBondContact O-N 3.45Å; V218-F222 HydrophobicContact CB-CD2 4.49Å; V218-F222 HydrophobicContact CG1-CD2 3.85Å; V218-F222 HydrophobicContact CG1-CE2 4.31Å; V218-F222 WeakPolarHBondContact O-CB 3.45Å; V218-F222 VanDerWaalsContact O-CD2 3.26Å; V218-F222 WeakPolarHBondContact O-CD2 3.44Å; V218-F222 PolarHBondContact O-N 3.49Å; V218-L224 HydrophobicContact CG1-CD1 4.23Å |
| 219 | E | 94.4 | Very high | 85.1 | Confident | 40 Ų | 40 | 55.4 Ų | 55.4 | 19% | 0.187 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.5 | -36.3 | -179.4 | -70.9 | -178.4 | 164.4 | 0 | 0 | 113 | A2 L215 K223 L224 N225 | A2-E219 HydrophobicContact CB-CG 3.66Å; A2-E219 PolarHBondContact N-OE1 3Å; L215-E219 WeakPolarHBondContact O-CG 3.11Å; L215-E219 PolarHBondContact O-N 2.87Å; E219-K223 WeakPolarHBondContact O-CA 3.2Å; E219-K223 PolarHBondContact O-N 2.89Å; E219-L224 HydrophobicContact CB-CB 4.49Å; E219-L224 HydrophobicContact CG-CB 4.48Å; E219-L224 HydrophobicContact CG-CD1 4.49Å; E219-L224 PolarHBondContact O-N 2.69Å; E219-N225 PolarHBondContact OE2-ND2 3.13Å |
| 220 | S | 94 | Very high | 82.8 | Confident | 92 Ų | 92 | 56.3 Ų | 56.3 | 64% | 0.643 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -70.7 | -48.5 | 177.9 | -172.9 | 0 | 0 | 0 | 0 | 112.4 | S216 V217 V218 K223 | S216-S220 VanDerWaalsContact O-CB 3.3Å; S216-S220 WeakPolarHBondContact O-CB 3.3Å; S216-S220 PolarHBondContact O-N 3.4Å; S216-S220 VanDerWaalsContact O-N 3.09Å; V217-S220 PolarHBondContact O-N 2.98Å; V218-S220 VanDerWaalsContact C-N 3.27Å; V218-S220 PolarHBondContact O-N 3.29Å; S220-K223 PolarHBondContact O-N 2.8Å |
| 221 | V | 94.1 | Very high | 80.3 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 6% | 0.055 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -71.6 | -36.9 | -174.5 | 72.5 | 0 | 0 | 0 | 0 | 111.8 | G159 V182 V217 V218 K223 | G159-V221 WeakPolarHBondContact O-CG2 3.48Å; V182-V221 HydrophobicContact CB-CB 4.49Å; V182-V221 HydrophobicContact CB-CG2 4.09Å; V182-V221 HydrophobicContact CG2-CB 4.18Å; V182-V221 HydrophobicContact CG2-CG2 3.69Å; V217-V221 WeakPolarHBondContact O-CG1 3.2Å; V217-V221 PolarHBondContact O-N 2.8Å; V218-V221 PolarHBondContact O-N 3.45Å; V221-K223 VanDerWaalsContact C-N 3.31Å |
| 222 | F | 95 | Very high | 78.2 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 2.5 | 178 | -69 | -79.6 | 0 | 0 | 0 | 113.3 | S155 G158 L160 M197 V199 V218 L224 | S155-F222 VanDerWaalsContact OG-CD1 3.29Å; S155-F222 WeakPolarHBondContact OG-CD1 2.99Å; G158-F222 WeakPolarHBondContact O-CD1 3.46Å; G158-F222 WeakPolarHBondContact O-CE1 3.46Å; L160-F222 HydrophobicContact CB-CE2 4.1Å; L160-F222 HydrophobicContact CB-CZ 4.32Å; M197-F222 HydrophobicContact CE-CD2 4.33Å; M197-F222 HydrophobicContact CE-CE2 3.7Å; M197-F222 HydrophobicContact CE-CZ 4.19Å; V199-F222 HydrophobicContact CB-CD1 4.35Å; V199-F222 HydrophobicContact CB-CE1 4.15Å; V199-F222 HydrophobicContact CB-CZ 4.41Å; V199-F222 HydrophobicContact CG1-CD1 4.05Å; V199-F222 HydrophobicContact CG1-CE1 3.42Å; V199-F222 VanDerWaalsContact CG1-CE1 3.42Å; V199-F222 HydrophobicContact CG1-CZ 3.72Å; V199-F222 HydrophobicContact CG2-CB 4.25Å; V199-F222 HydrophobicContact CG2-CD1 3.44Å; V199-F222 VanDerWaalsContact CG2-CD1 3.44Å; V199-F222 HydrophobicContact CG2-CD2 4.23Å; V199-F222 HydrophobicContact CG2-CE1 3.73Å; V199-F222 HydrophobicContact CG2-CE2 4.49Å; V199-F222 HydrophobicContact CG2-CG 3.73Å; V199-F222 HydrophobicContact CG2-CZ 4.27Å; V218-F222 HydrophobicContact CB-CD2 4.49Å; V218-F222 HydrophobicContact CG1-CD2 3.85Å; V218-F222 HydrophobicContact CG1-CE2 4.31Å; V218-F222 WeakPolarHBondContact O-CB 3.45Å; V218-F222 VanDerWaalsContact O-CD2 3.26Å; V218-F222 WeakPolarHBondContact O-CD2 3.44Å; V218-F222 PolarHBondContact O-N 3.49Å; F222-L224 HydrophobicContact CB-CD1 4.02Å; F222-L224 HydrophobicContact CB-CD2 3.9Å; F222-L224 HydrophobicContact CB-CG 3.63Å; F222-L224 PolarHBondContact O-N 3.05Å |
| 223 | K | 92.3 | Very high | 76.2 | Confident | 85 Ų | 85 | 59.7 Ų | 59.7 | 37% | 0.37 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 33.3 | 179.9 | -55.2 | -179.3 | -173 | 168.7 | 0 | 114.3 | E219 S220 V221 N225 E226 | E219-K223 WeakPolarHBondContact O-CA 3.2Å; E219-K223 PolarHBondContact O-N 2.89Å; S220-K223 PolarHBondContact O-N 2.8Å; V221-K223 VanDerWaalsContact C-N 3.31Å; K223-N225 PolarHBondContact O-N 3Å; K223-N225 VanDerWaalsContact O-N 3.16Å; K223-E226 PolarHBondContact O-N 2.85Å |
| 224 | L | 88 | Confident | 74.4 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -13.7 | -172.5 | -59.9 | 178.9 | 0 | 0 | 0 | 113.9 | M1 A2 A204 V218 E219 F222 | M1-L224 PolarHBondContact N-O 3.16Å; A2-L224 HydrophobicContact CB-CD1 4.24Å; A204-L224 HydrophobicContact CB-CD1 3.45Å; A204-L224 VanDerWaalsContact CB-CD1 3.45Å; V218-L224 HydrophobicContact CG1-CD1 4.23Å; E219-L224 HydrophobicContact CB-CB 4.49Å; E219-L224 HydrophobicContact CG-CB 4.48Å; E219-L224 HydrophobicContact CG-CD1 4.49Å; E219-L224 PolarHBondContact O-N 2.69Å; F222-L224 HydrophobicContact CB-CD1 4.02Å; F222-L224 HydrophobicContact CB-CD2 3.9Å; F222-L224 HydrophobicContact CB-CG 3.63Å; F222-L224 PolarHBondContact O-N 3.05Å |
| 225 | N | 74.9 | Confident | 72.3 | Confident | 91 Ų | 91 | 60.1 Ų | 60.1 | 49% | 0.487 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -16.4 | 179.3 | -69.7 | -18.8 | 0 | 0 | 0 | 112.8 | E219 K223 A227 | E219-N225 PolarHBondContact OE2-ND2 3.13Å; K223-N225 PolarHBondContact O-N 3Å; K223-N225 VanDerWaalsContact O-N 3.16Å; N225-A227 PolarHBondContact O-N 3.23Å |
| 226 | E | 59.9 | Low | 70.8 | Confident | 144 Ų | 144 | 64.9 Ų | 64.9 | 67% | 0.673 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -11.8 | 178.7 | -65.7 | -173.7 | 176.2 | 0 | 0 | 113.1 | K223 Q228 P229 | K223-E226 PolarHBondContact O-N 2.85Å; E226-Q228 VanDerWaalsContact C-N 3.31Å; E226-Q228 PolarHBondContact O-N 3.4Å; E226-P229 VanDerWaalsContact C-CD 3.4Å; E226-P229 WeakPolarHBondContact O-CD 3.26Å |
| 227 | A | 50.9 | Low | 69.2 | Low | 63 Ų | 63 | 70 Ų | 70 | 52% | 0.521 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -8.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N225 | N225-A227 PolarHBondContact O-N 3.23Š|
| 228 | Q | 45.7 | Very low | 68 | Low | 109 Ų | 109 | 71.9 Ų | 71.9 | 51% | 0.509 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -132 | 24.5 | 179.6 | -79.9 | -164 | -7.6 | 0 | 0 | 118.7 | E226 S230 | E226-Q228 VanDerWaalsContact C-N 3.31Å; E226-Q228 PolarHBondContact O-N 3.4Å; Q228-S230 VanDerWaalsContact C-N 3.27Å; Q228-S230 PolarHBondContact O-N 3.07Å |
| 229 | P | 43.4 | Very low | 67 | Low | 80 Ų | 80 | 75.3 Ų | 75.3 | 52% | 0.519 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.6 | -28.7 | 165.8 | -7.9 | 19.6 | 0 | 0 | 0 | 112.4 | E226 A233 | E226-P229 VanDerWaalsContact C-CD 3.4Å; E226-P229 WeakPolarHBondContact O-CD 3.26Å; P229-A233 WeakPolarHBondContact O-CB 3.49Å; P229-A233 PolarHBondContact O-N 3.25Å |
| 230 | S | 47.7 | Very low | 65.9 | Low | 77 Ų | 77 | 78.2 Ų | 78.2 | 54% | 0.538 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -77.3 | -41.2 | -171.7 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | Q228 T234 | Q228-S230 VanDerWaalsContact C-N 3.27Å; Q228-S230 PolarHBondContact O-N 3.07Å; S230-T234 WeakPolarHBondContact O-CB 3.31Å; S230-T234 PolarHBondContact O-N 2.89Å; S230-T234 PolarHBondContact O-OG1 2.86Å |
| 231 | T | 46.1 | Very low | 65.1 | Low | 86 Ų | 86 | 78.3 Ų | 78.3 | 53% | 0.528 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -72.6 | -38.8 | -175.5 | -6.4 | 0 | 0 | 0 | 0 | 112.6 | S235 | T231-S235 VanDerWaalsContact O-CB 3.26Å; T231-S235 WeakPolarHBondContact O-CB 3.36Å; T231-S235 PolarHBondContact O-N 2.98Å; T231-S235 PolarHBondContact O-OG 2.95Å |
| 232 | I | 51.2 | Low | 64.2 | Low | 85 Ų | 85 | 83.9 Ų | 83.9 | 44% | 0.436 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -75.8 | -40.6 | 179.1 | -63.4 | 171.2 | 0 | 0 | 0 | 111 | T234 S235 M236 | I232-T234 VanDerWaalsContact C-N 3.31Å; I232-T234 PolarHBondContact O-N 3.07Å; I232-S235 PolarHBondContact O-OG 3.04Å; I232-M236 HydrophobicContact CG2-CE 3.38Å; I232-M236 HydrophobicContact CG2-CG 4.39Å; I232-M236 VanDerWaalsContact O-CB 3.28Å; I232-M236 WeakPolarHBondContact O-CB 3.07Å; I232-M236 WeakPolarHBondContact O-CG 3.44Å; I232-M236 PolarHBondContact O-N 3.41Å |
| 233 | A | 53.1 | Low | 63.2 | Low | 42 Ų | 42 | 88 Ų | 88 | 35% | 0.347 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.1 | -33 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | P229 R237 | P229-A233 WeakPolarHBondContact O-CB 3.49Å; P229-A233 PolarHBondContact O-N 3.25Å; A233-R237 VanDerWaalsContact O-CB 3.3Å; A233-R237 WeakPolarHBondContact O-CB 3.48Å; A233-R237 VanDerWaalsContact O-CG 3.22Å; A233-R237 WeakPolarHBondContact O-CG 3.43Å; A233-R237 PolarHBondContact O-N 3.47Å |
| 234 | T | 55.8 | Low | 61.9 | Low | 66 Ų | 66 | 90.9 Ų | 90.9 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -74.8 | -44.9 | 175.7 | -48 | 0 | 0 | 0 | 0 | 110.7 | S230 I232 M236 R237 D238 | S230-T234 WeakPolarHBondContact O-CB 3.31Å; S230-T234 PolarHBondContact O-N 2.89Å; S230-T234 PolarHBondContact O-OG1 2.86Å; I232-T234 VanDerWaalsContact C-N 3.31Å; I232-T234 PolarHBondContact O-N 3.07Å; T234-M236 PolarHBondContact O-N 3.15Å; T234-R237 PolarHBondContact O-N 3.13Å; T234-R237 VanDerWaalsContact O-N 3.11Å; T234-D238 WeakPolarHBondContact O-CB 3.24Å; T234-D238 VanDerWaalsContact O-CG 3.24Å; T234-D238 PolarHBondContact O-N 3.01Å |
| 235 | S | 54.1 | Low | 60.7 | Low | 64 Ų | 64 | 98.2 Ų | 98.2 | 45% | 0.448 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.8 | -37.2 | 177 | 73 | 0 | 0 | 0 | 0 | 112.9 | T231 I232 S239 | T231-S235 VanDerWaalsContact O-CB 3.26Å; T231-S235 WeakPolarHBondContact O-CB 3.36Å; T231-S235 PolarHBondContact O-N 2.98Å; T231-S235 PolarHBondContact O-OG 2.95Å; I232-S235 PolarHBondContact O-OG 3.04Å; S235-S239 WeakPolarHBondContact O-CB 3.34Å; S235-S239 PolarHBondContact O-N 3.27Å; S235-S239 PolarHBondContact O-OG 2.79Å |
| 236 | M | 61.4 | Low | 60 | Low | 111 Ų | 111 | 98.6 Ų | 98.6 | 55% | 0.547 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.4 | -40.1 | 171.6 | -76.4 | -154.6 | -124.5 | 0 | 0 | 111.7 | I232 T234 S239 L240 | I232-M236 HydrophobicContact CG2-CE 3.38Å; I232-M236 HydrophobicContact CG2-CG 4.39Å; I232-M236 VanDerWaalsContact O-CB 3.28Å; I232-M236 WeakPolarHBondContact O-CB 3.07Å; I232-M236 WeakPolarHBondContact O-CG 3.44Å; I232-M236 PolarHBondContact O-N 3.41Å; T234-M236 PolarHBondContact O-N 3.15Å; M236-S239 WeakPolarHBondContact CA-OG 3.24Å; M236-S239 PolarHBondContact O-OG 3.21Å; M236-L240 VanDerWaalsContact O-CB 3.26Å; M236-L240 WeakPolarHBondContact O-CB 3.37Å; M236-L240 VanDerWaalsContact O-CD1 3.27Å; M236-L240 WeakPolarHBondContact O-CD1 3.49Å; M236-L240 VanDerWaalsContact O-CG 3.26Å; M236-L240 WeakPolarHBondContact O-CG 3.39Å; M236-L240 PolarHBondContact O-N 3.47Å |
| 237 | R | 62.5 | Low | 60 | Low | 169 Ų | 169 | 96.2 Ų | 96.2 | 64% | 0.638 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.1 | -44.6 | 175.6 | -83.3 | 178.2 | -177.8 | 151.6 | 2.1 | 112.1 | A233 T234 L240 I241 | A233-R237 VanDerWaalsContact O-CB 3.3Å; A233-R237 WeakPolarHBondContact O-CB 3.48Å; A233-R237 VanDerWaalsContact O-CG 3.22Å; A233-R237 WeakPolarHBondContact O-CG 3.43Å; A233-R237 PolarHBondContact O-N 3.47Å; T234-R237 PolarHBondContact O-N 3.13Å; T234-R237 VanDerWaalsContact O-N 3.11Å; R237-L240 PolarHBondContact O-N 2.98Å; R237-I241 VanDerWaalsContact O-CG1 3.23Å; R237-I241 WeakPolarHBondContact O-CG1 3.45Å; R237-I241 PolarHBondContact O-N 3.26Å |
| 238 | D | 69.1 | Low | 60.5 | Low | 91 Ų | 91 | 98 Ų | 98 | 49% | 0.487 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.7 | -44.3 | 179.6 | -67.9 | -18.3 | 0 | 0 | 0 | 110.5 | T234 L240 I241 D242 | T234-D238 WeakPolarHBondContact O-CB 3.24Å; T234-D238 VanDerWaalsContact O-CG 3.24Å; T234-D238 PolarHBondContact O-N 3.01Å; D238-L240 PolarHBondContact O-N 3.21Å; D238-I241 PolarHBondContact O-N 2.91Å; D238-D242 PolarHBondContact O-N 3.36Å |
| 239 | S | 73 | Confident | 61.4 | Low | 72 Ų | 72 | 97.4 Ų | 97.4 | 50% | 0.503 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.1 | -31.4 | 175.3 | 48.5 | 0 | 0 | 0 | 0 | 113.8 | S235 M236 S243 | S235-S239 WeakPolarHBondContact O-CB 3.34Å; S235-S239 PolarHBondContact O-N 3.27Å; S235-S239 PolarHBondContact O-OG 2.79Å; M236-S239 WeakPolarHBondContact CA-OG 3.24Å; M236-S239 PolarHBondContact O-OG 3.21Å; S239-S243 PolarHBondContact O-N 2.99Å |
| 240 | L | 71.9 | Confident | 62.5 | Low | 101 Ų | 101 | 98.4 Ų | 98.4 | 53% | 0.529 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.7 | -40.7 | 171.5 | -83 | 157.2 | 0 | 0 | 0 | 111.8 | M236 R237 D238 S243 L244 | M236-L240 VanDerWaalsContact O-CB 3.26Å; M236-L240 WeakPolarHBondContact O-CB 3.37Å; M236-L240 VanDerWaalsContact O-CD1 3.27Å; M236-L240 WeakPolarHBondContact O-CD1 3.49Å; M236-L240 VanDerWaalsContact O-CG 3.26Å; M236-L240 WeakPolarHBondContact O-CG 3.39Å; M236-L240 PolarHBondContact O-N 3.47Å; R237-L240 PolarHBondContact O-N 2.98Å; D238-L240 PolarHBondContact O-N 3.21Å; L240-S243 PolarHBondContact O-N 2.67Å; L240-S243 PolarHBondContact O-OG 3.05Å; L240-L244 WeakPolarHBondContact O-CD1 3.44Å; L240-L244 WeakPolarHBondContact O-CG 3.45Å; L240-L244 PolarHBondContact O-N 3.5Å |
| 241 | I | 77.1 | Confident | 63.5 | Low | 95 Ų | 95 | 99.9 Ų | 99.9 | 49% | 0.487 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.3 | -45.3 | 178.4 | -68.9 | 164 | 0 | 0 | 0 | 110.6 | R237 D238 S243 L244 T245 | R237-I241 VanDerWaalsContact O-CG1 3.23Å; R237-I241 WeakPolarHBondContact O-CG1 3.45Å; R237-I241 PolarHBondContact O-N 3.26Å; D238-I241 PolarHBondContact O-N 2.91Å; I241-S243 PolarHBondContact O-N 2.99Å; I241-L244 PolarHBondContact O-N 3.37Å; I241-T245 PolarHBondContact O-N 3.47Å |
| 242 | D | 75 | Confident | 64.8 | Low | 126 Ų | 126 | 100.9 Ų | 100.9 | 67% | 0.674 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.9 | -26.1 | 177.1 | -86.4 | -5.9 | 0 | 0 | 0 | 112.8 | D238 L244 | D238-D242 PolarHBondContact O-N 3.36Å; D242-L244 VanDerWaalsContact C-N 3.35Å |
| 243 | S | 73.3 | Confident | 65.8 | Low | 86 Ų | 86 | 102.1 Ų | 102.1 | 60% | 0.601 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -14.7 | 175.7 | 74.9 | 0 | 0 | 0 | 0 | 114.4 | S239 L240 I241 | S239-S243 PolarHBondContact O-N 2.99Å; L240-S243 PolarHBondContact O-N 2.67Å; L240-S243 PolarHBondContact O-OG 3.05Å; I241-S243 PolarHBondContact O-N 2.99Å |
| 244 | L | 65.8 | Low | 66.9 | Low | 146 Ų | 146 | 107.1 Ų | 107.1 | 76% | 0.764 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.5 | -8.8 | -174.3 | -74 | 166.9 | 0 | 0 | 0 | 113.9 | L240 I241 D242 | L240-L244 WeakPolarHBondContact O-CD1 3.44Å; L240-L244 WeakPolarHBondContact O-CG 3.45Å; L240-L244 PolarHBondContact O-N 3.5Å; I241-L244 PolarHBondContact O-N 3.37Å; D242-L244 VanDerWaalsContact C-N 3.35Å |
| 245 | T | 63.5 | Low | 67.9 | Low | 158 Ų | 158 | 110.8 Ų | 110.8 | 97% | 0.969 | 60% | 0.604 | S | S | * | * | trans | -101.7 | 0 | 173.5 | 56.2 | 0 | 0 | 0 | 0 | 111.7 | I241 | I241-T245 PolarHBondContact O-N 3.47Š|
Retrieved 245 of 245 residues in 569.9 ms
(Link to these results)