| 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 | 56.1 | Low | 86.6 | Confident | 220 Ų | 220 | 78.4 Ų | 78.4 | 100% | 1.084 | 39% | 0.386 | S | S | * | . | 0 | 133.3 | 0 | -153.6 | -178 | -74.5 | 0 | 0 | 106 | T3 | M1-T3 PolarHBondContact O-N 3.5Š| |||
| 2 | F | 72.8 | Confident | 87.5 | Confident | 108 Ų | 108 | 77.3 Ų | 77.3 | 47% | 0.474 | 39% | 0.392 | S | S | . | . | trans | -74.1 | 104.8 | 178.7 | -56.7 | -79.3 | 0 | 0 | 0 | 108.1 | I17 P20 A390 | F2-I17 HydrophobicContact CD1-CD1 4.04Å; F2-P20 HydrophobicContact CD1-CG 4.5Å; F2-P20 HydrophobicContact CD2-CB 3.84Å; F2-P20 HydrophobicContact CD2-CG 3.98Å; F2-P20 HydrophobicContact CE1-CG 4.48Å; F2-P20 HydrophobicContact CE2-CB 4.07Å; F2-P20 HydrophobicContact CE2-CG 3.97Å; F2-P20 HydrophobicContact CG-CB 4.4Å; F2-P20 HydrophobicContact CG-CG 4.26Å; F2-P20 HydrophobicContact CZ-CG 4.23Å; F2-A390 VanDerWaalsContact O-CB 3.32Å; F2-A390 WeakPolarHBondContact O-CB 3.03Å | ||
| 3 | T | 82.6 | Confident | 88.3 | Confident | 50 Ų | 50 | 74.7 Ų | 74.7 | 31% | 0.307 | 38% | 0.377 | S | S | . | . | trans | -108.2 | 135.9 | 177 | -52.3 | 0 | 0 | 0 | 0 | 107.9 | M1 I5 | M1-T3 PolarHBondContact O-N 3.5Å; T3-I5 PolarHBondContact O-N 3.48Å | ||
| 4 | I | 86 | Confident | 88.9 | Confident | 16 Ų | 16 | 69.4 Ų | 69.4 | 8% | 0.082 | 35% | 0.35 | C | S | . | . | trans | -64.1 | 128.5 | 172.9 | -75.4 | 157.1 | 0 | 0 | 0 | 108.6 | I17 F18 L21 A390 G391 L392 | I4-I17 HydrophobicContact CG1-CG2 4.09Å; I4-F18 HydrophobicContact CD1-CD1 3.92Å; I4-F18 HydrophobicContact CD1-CE1 3.32Å; I4-F18 HydrophobicContact CD1-CZ 3.93Å; I4-F18 HydrophobicContact CG1-CD1 4.21Å; I4-F18 HydrophobicContact CG1-CE1 3.67Å; I4-F18 HydrophobicContact CG1-CZ 3.83Å; I4-F18 HydrophobicContact CG2-CZ 4.22Å; I4-L21 HydrophobicContact CD1-CD1 3.59Å; I4-L21 HydrophobicContact CG1-CD1 3.77Å; I4-A390 WeakPolarHBondContact CB-O 3.41Å; I4-A390 PolarHBondContact N-O 3.41Å; I4-G391 VanDerWaalsContact CD1-O 3.29Å; I4-G391 WeakPolarHBondContact CD1-O 3.5Å; I4-L392 HydrophobicContact CD1-CB 4.39Å | ||
| 5 | I | 89.7 | Confident | 89.5 | Confident | 73 Ų | 73 | 68.3 Ų | 68.3 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | trans | -116.3 | 163.4 | 179.8 | 55.4 | 177.4 | 0 | 0 | 0 | 109.1 | T3 R7 Y8 | T3-I5 PolarHBondContact O-N 3.48Å; I5-R7 WeakPolarHBondContact CD1-O 3.22Å; I5-R7 VanDerWaalsContact CG1-O 3.29Å; I5-R7 WeakPolarHBondContact CG1-O 3.41Å; I5-Y8 HydrophobicContact CD1-CD1 4.39Å; I5-Y8 HydrophobicContact CD1-CE1 4.5Å; I5-Y8 HydrophobicContact CG1-CD1 4.1Å; I5-Y8 HydrophobicContact CG1-CE1 3.8Å; I5-Y8 WeakPolarHBondContact O-CE2 3.38Å; I5-Y8 PolarHBondContact O-OH 3.03Å | ||
| 6 | C | 88.1 | Confident | 89.9 | Confident | 45 Ų | 45 | 67.5 Ų | 67.5 | 30% | 0.304 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -70.9 | -36.5 | -177.9 | -68.4 | 0 | 0 | 0 | 0 | 112.6 | R399 V402 L403 | C6-R399 PolarHBondContact O-NH1 3.13Å; C6-V402 VanDerWaalsContact SG-CG1 3.52Å; C6-L403 HydrophobicContact CB-CD2 3.91Å; C6-L403 HydrophobicContact CB-CG 4.39Å; C6-L403 WeakPolarHBondContact O-CD1 3.5Å; C6-L403 WeakPolarHBondContact O-CD2 3.28Å |
| 7 | R | 95.2 | Very high | 90.4 | Very high | 131 Ų | 131 | 64.5 Ų | 64.5 | 49% | 0.494 | 33% | 0.331 | S | S | . | . | trans | -125 | 142.7 | -171.7 | -55.2 | -172.8 | -176.9 | -106.3 | 7.6 | 111.3 | I5 L158 G159 L403 | I5-R7 WeakPolarHBondContact CD1-O 3.22Å; I5-R7 VanDerWaalsContact CG1-O 3.29Å; I5-R7 WeakPolarHBondContact CG1-O 3.41Å; R7-L158 CarbonylContact C-O 3.59Å; R7-L158 WeakPolarHBondContact CA-O 3.13Å; R7-G159 WeakPolarHBondContact CD-O 3.11Å; R7-G159 VanDerWaalsContact CG-O 3.29Å; R7-G159 WeakPolarHBondContact CG-O 3.32Å; R7-G159 PolarHBondContact NH1-O 2.86Å; R7-L403 HydrophobicContact CG-CD2 3.69Å | ||
| 8 | Y | 96.4 | Very high | 90.8 | Very high | 6 Ų | 6 | 60.9 Ų | 60.9 | 2% | 0.024 | 31% | 0.313 | C | S | . | . | trans | -127.6 | 140.9 | -176.9 | -58.9 | -88.1 | 0 | 0 | 0 | 110.1 | I5 Y14 I17 F18 L158 | I5-Y8 HydrophobicContact CD1-CD1 4.39Å; I5-Y8 HydrophobicContact CD1-CE1 4.5Å; I5-Y8 HydrophobicContact CG1-CD1 4.1Å; I5-Y8 HydrophobicContact CG1-CE1 3.8Å; I5-Y8 WeakPolarHBondContact O-CE2 3.38Å; I5-Y8 PolarHBondContact O-OH 3.03Å; Y8-Y14 HydrophobicContact CD1-CD2 4.17Å; Y8-Y14 AromaticContact CD2-CD2 3.55Å; Y8-Y14 HydrophobicContact CD2-CD2 3.55Å; Y8-Y14 HydrophobicContact CD2-CE2 4.22Å; Y8-Y14 HydrophobicContact CE1-CD2 4.19Å; Y8-Y14 AromaticContact CE2-CD2 3.58Å; Y8-Y14 HydrophobicContact CE2-CD2 3.58Å; Y8-Y14 AromaticContact CE2-CE2 3.89Å; Y8-Y14 HydrophobicContact CE2-CE2 3.89Å; Y8-Y14 AromaticContact CG-CD2 3.84Å; Y8-Y14 HydrophobicContact CG-CD2 3.84Å; Y8-Y14 AromaticContact CZ-CD2 3.9Å; Y8-I17 HydrophobicContact CD1-CG1 4.4Å; Y8-I17 HydrophobicContact CE1-CB 4.07Å; Y8-I17 HydrophobicContact CE1-CG1 3.97Å; Y8-I17 HydrophobicContact CE1-CG2 4.29Å; Y8-F18 HydrophobicContact CE1-CE2 4.47Å; Y8-F18 HydrophobicContact CE2-CE2 4.41Å; Y8-F18 AromaticContact CZ-CE2 3.8Å; Y8-F18 WeakPolarHBondContact OH-CE2 3.38Å; Y8-L158 PolarHBondContact N-O 3.17Å | ||
| 9 | E | 94 | Very high | 91.1 | Very high | 168 Ų | 168 | 58.9 Ų | 58.9 | 79% | 0.785 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -72.5 | -30.6 | -177 | -62.7 | 174.3 | 176.6 | 0 | 0 | 112.8 | H13 | E9-H13 HydrophobicContact CB-CB 4.45Å; E9-H13 PolarHBondContact N-ND1 3.27Å |
| 10 | S | 95.5 | Very high | 91.4 | Very high | 42 Ų | 42 | 58 Ų | 58 | 29% | 0.294 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -159.5 | 166.2 | -177.4 | 62.4 | 0 | 0 | 0 | 0 | 110.8 | S12 H13 Y14 | S10-S12 PolarHBondContact O-N 3.35Å; S10-S12 PolarHBondContact OG-N 3.25Å; S10-H13 PolarHBondContact O-N 3.34Å; S10-H13 PolarHBondContact OG-N 3.21Å; S10-H13 VanDerWaalsContact OG-N 3.11Å; S10-Y14 PolarHBondContact O-N 2.84Å |
| 11 | A | 96.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 55.4 Ų | 55.4 | 3% | 0.025 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.6 | -32.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y14 Q15 L142 V143 Y154 | A11-Y14 WeakPolarHBondContact O-CB 3.48Å; A11-Y14 PolarHBondContact O-N 2.73Å; A11-Q15 WeakPolarHBondContact O-CB 3.44Å; A11-Q15 PolarHBondContact O-N 3.18Å; A11-L142 HydrophobicContact CB-CD2 4.28Å; A11-L142 HydrophobicContact CB-CG 4.05Å; A11-V143 VanDerWaalsContact C-CG2 3.48Å; A11-V143 HydrophobicContact CB-CG2 3.83Å; A11-V143 VanDerWaalsContact O-CG2 3.31Å; A11-V143 WeakPolarHBondContact O-CG2 3.23Å; A11-Y154 HydrophobicContact CB-CE2 3.89Å; A11-Y154 WeakPolarHBondContact CB-OH 3.48Å; A11-Y154 PolarHBondContact N-OH 2.62Å |
| 12 | S | 97.4 | Very high | 93.7 | Very high | 66 Ų | 66 | 45 Ų | 45 | 46% | 0.462 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.7 | -40.8 | 176.2 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | S10 Q15 S16 | S10-S12 PolarHBondContact O-N 3.35Å; S10-S12 PolarHBondContact OG-N 3.25Å; S12-Q15 PolarHBondContact O-N 2.99Å; S12-S16 WeakPolarHBondContact O-CB 3.47Å; S12-S16 PolarHBondContact O-N 2.86Å; S12-S16 PolarHBondContact O-OG 3.04Å |
| 13 | H | 97.1 | Very high | 94.8 | Very high | 43 Ų | 43 | 42.3 Ų | 42.3 | 20% | 0.199 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.1 | -44.7 | 172.5 | -178.3 | -172.3 | 0 | 0 | 0 | 110.6 | E9 S10 Q15 S16 I17 | E9-H13 HydrophobicContact CB-CB 4.45Å; E9-H13 PolarHBondContact N-ND1 3.27Å; S10-H13 PolarHBondContact O-N 3.34Å; S10-H13 PolarHBondContact OG-N 3.21Å; S10-H13 VanDerWaalsContact OG-N 3.11Å; H13-Q15 PolarHBondContact O-N 3.4Å; H13-S16 PolarHBondContact O-N 3.08Å; H13-S16 PolarHBondContact O-OG 3.19Å; H13-I17 WeakPolarHBondContact O-CG1 3.42Å; H13-I17 PolarHBondContact O-N 2.73Å; H13-I17 VanDerWaalsContact O-N 3.15Å |
| 14 | Y | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -54.6 | -49.6 | 174.1 | -177.6 | -94 | 0 | 0 | 0 | 112.4 | Y8 S10 A11 S16 I17 F18 L139 L142 I157 L158 E355 M359 | Y8-Y14 HydrophobicContact CD1-CD2 4.17Å; Y8-Y14 AromaticContact CD2-CD2 3.55Å; Y8-Y14 HydrophobicContact CD2-CD2 3.55Å; Y8-Y14 HydrophobicContact CD2-CE2 4.22Å; Y8-Y14 HydrophobicContact CE1-CD2 4.19Å; Y8-Y14 AromaticContact CE2-CD2 3.58Å; Y8-Y14 HydrophobicContact CE2-CD2 3.58Å; Y8-Y14 AromaticContact CE2-CE2 3.89Å; Y8-Y14 HydrophobicContact CE2-CE2 3.89Å; Y8-Y14 AromaticContact CG-CD2 3.84Å; Y8-Y14 HydrophobicContact CG-CD2 3.84Å; Y8-Y14 AromaticContact CZ-CD2 3.9Å; S10-Y14 PolarHBondContact O-N 2.84Å; A11-Y14 WeakPolarHBondContact O-CB 3.48Å; A11-Y14 PolarHBondContact O-N 2.73Å; Y14-S16 PolarHBondContact O-N 3.24Å; Y14-I17 PolarHBondContact O-N 2.72Å; Y14-F18 HydrophobicContact CD1-CD2 4.27Å; Y14-F18 HydrophobicContact CD2-CD2 4.12Å; Y14-F18 AromaticContact CD2-CE2 3.88Å; Y14-F18 HydrophobicContact CD2-CE2 3.88Å; Y14-F18 HydrophobicContact CE1-CD2 4.02Å; Y14-F18 HydrophobicContact CE1-CE2 4.29Å; Y14-F18 AromaticContact CE2-CD2 3.85Å; Y14-F18 HydrophobicContact CE2-CD2 3.85Å; Y14-F18 AromaticContact CE2-CE2 3.36Å; Y14-F18 HydrophobicContact CE2-CE2 3.36Å; Y14-F18 HydrophobicContact CE2-CZ 4.36Å; Y14-F18 HydrophobicContact CG-CD2 4.31Å; Y14-F18 AromaticContact CZ-CD2 3.79Å; Y14-F18 AromaticContact CZ-CE2 3.59Å; Y14-F18 WeakPolarHBondContact O-CD2 3.19Å; Y14-F18 PolarHBondContact O-N 3.08Å; Y14-L139 HydrophobicContact CD1-CD2 3.99Å; Y14-L139 HydrophobicContact CE1-CD2 3.46Å; Y14-L139 VanDerWaalsContact CE1-CD2 3.46Å; Y14-L142 HydrophobicContact CD1-CD2 3.71Å; Y14-L142 HydrophobicContact CE1-CD2 3.93Å; Y14-L142 HydrophobicContact CG-CD2 4.46Å; Y14-I157 HydrophobicContact CD2-CG2 4.46Å; Y14-I157 HydrophobicContact CE2-CG2 3.92Å; Y14-L158 HydrophobicContact CD2-CD2 4.39Å; Y14-L158 HydrophobicContact CG-CD2 4.3Å; Y14-E355 WeakPolarHBondContact CE2-OE1 3.38Å; Y14-E355 VanDerWaalsContact CZ-OE1 3.25Å; Y14-E355 VanDerWaalsContact OH-CD 3.26Å; Y14-E355 WeakPolarHBondContact OH-CG 3.47Å; Y14-E355 PolarHBondContact OH-OE1 2.94Å; Y14-M359 HydrophobicContact CE1-CG 4.37Å; Y14-M359 WeakPolarHBondContact OH-CG 3.26Å |
| 15 | Q | 97.6 | Very high | 96 | Very high | 53 Ų | 53 | 43.2 Ų | 43.2 | 25% | 0.248 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.1 | -40.8 | 177 | 179.4 | -176.7 | 35.3 | 0 | 0 | 112.3 | A11 S12 H13 I17 F18 S19 L139 V143 | A11-Q15 WeakPolarHBondContact O-CB 3.44Å; A11-Q15 PolarHBondContact O-N 3.18Å; S12-Q15 PolarHBondContact O-N 2.99Å; H13-Q15 PolarHBondContact O-N 3.4Å; Q15-I17 VanDerWaalsContact C-N 3.27Å; Q15-I17 PolarHBondContact O-N 2.9Å; Q15-F18 PolarHBondContact O-N 3.29Å; Q15-S19 VanDerWaalsContact CG-OG 3.32Å; Q15-S19 WeakPolarHBondContact CG-OG 3.37Å; Q15-S19 VanDerWaalsContact O-CB 3.24Å; Q15-S19 WeakPolarHBondContact O-CB 3.28Å; Q15-S19 PolarHBondContact O-N 3.09Å; Q15-S19 PolarHBondContact O-OG 2.84Å; Q15-L139 HydrophobicContact CB-CB 4.29Å; Q15-L139 HydrophobicContact CG-CB 3.93Å; Q15-V143 HydrophobicContact CB-CG2 3.9Å |
| 16 | S | 96.6 | Very high | 96.3 | Very high | 56 Ų | 56 | 40 Ų | 40 | 39% | 0.392 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.6 | -25.9 | -176.6 | 75.3 | 0 | 0 | 0 | 0 | 113 | S12 H13 Y14 P20 | S12-S16 WeakPolarHBondContact O-CB 3.47Å; S12-S16 PolarHBondContact O-N 2.86Å; S12-S16 PolarHBondContact O-OG 3.04Å; H13-S16 PolarHBondContact O-N 3.08Å; H13-S16 PolarHBondContact O-OG 3.19Å; Y14-S16 PolarHBondContact O-N 3.24Å; S16-P20 WeakPolarHBondContact O-CD 3.34Å; S16-P20 VanDerWaalsContact O-CG 3.31Å; S16-P20 WeakPolarHBondContact O-CG 3.42Å |
| 17 | I | 97 | Very high | 96.7 | Very high | 16 Ų | 16 | 41.6 Ų | 41.6 | 8% | 0.082 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -78.3 | -49.6 | 172.5 | -61.3 | -54.2 | 0 | 0 | 0 | 111.5 | F2 I4 Y8 H13 Y14 Q15 L21 | F2-I17 HydrophobicContact CD1-CD1 4.04Å; I4-I17 HydrophobicContact CG1-CG2 4.09Å; Y8-I17 HydrophobicContact CD1-CG1 4.4Å; Y8-I17 HydrophobicContact CE1-CB 4.07Å; Y8-I17 HydrophobicContact CE1-CG1 3.97Å; Y8-I17 HydrophobicContact CE1-CG2 4.29Å; H13-I17 WeakPolarHBondContact O-CG1 3.42Å; H13-I17 PolarHBondContact O-N 2.73Å; H13-I17 VanDerWaalsContact O-N 3.15Å; Y14-I17 PolarHBondContact O-N 2.72Å; Q15-I17 VanDerWaalsContact C-N 3.27Å; Q15-I17 PolarHBondContact O-N 2.9Å; I17-L21 WeakPolarHBondContact O-CG 3.34Å |
| 18 | F | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -78.1 | -34.1 | -173.3 | -79.3 | -77.2 | 0 | 0 | 0 | 114 | I4 Y8 Y14 Q15 L21 I22 L139 E355 P356 L392 | I4-F18 HydrophobicContact CD1-CD1 3.92Å; I4-F18 HydrophobicContact CD1-CE1 3.32Å; I4-F18 HydrophobicContact CD1-CZ 3.93Å; I4-F18 HydrophobicContact CG1-CD1 4.21Å; I4-F18 HydrophobicContact CG1-CE1 3.67Å; I4-F18 HydrophobicContact CG1-CZ 3.83Å; I4-F18 HydrophobicContact CG2-CZ 4.22Å; Y8-F18 HydrophobicContact CE1-CE2 4.47Å; Y8-F18 HydrophobicContact CE2-CE2 4.41Å; Y8-F18 AromaticContact CZ-CE2 3.8Å; Y8-F18 WeakPolarHBondContact OH-CE2 3.38Å; Y14-F18 HydrophobicContact CD1-CD2 4.27Å; Y14-F18 HydrophobicContact CD2-CD2 4.12Å; Y14-F18 AromaticContact CD2-CE2 3.88Å; Y14-F18 HydrophobicContact CD2-CE2 3.88Å; Y14-F18 HydrophobicContact CE1-CD2 4.02Å; Y14-F18 HydrophobicContact CE1-CE2 4.29Å; Y14-F18 AromaticContact CE2-CD2 3.85Å; Y14-F18 HydrophobicContact CE2-CD2 3.85Å; Y14-F18 AromaticContact CE2-CE2 3.36Å; Y14-F18 HydrophobicContact CE2-CE2 3.36Å; Y14-F18 HydrophobicContact CE2-CZ 4.36Å; Y14-F18 HydrophobicContact CG-CD2 4.31Å; Y14-F18 AromaticContact CZ-CD2 3.79Å; Y14-F18 AromaticContact CZ-CE2 3.59Å; Y14-F18 WeakPolarHBondContact O-CD2 3.19Å; Y14-F18 PolarHBondContact O-N 3.08Å; Q15-F18 PolarHBondContact O-N 3.29Å; F18-L21 PolarHBondContact O-N 2.86Å; F18-L21 VanDerWaalsContact O-N 3.1Å; F18-I22 WeakPolarHBondContact O-CG1 3.5Å; F18-I22 PolarHBondContact O-N 3.36Å; F18-L139 HydrophobicContact CB-CD1 3.59Å; F18-E355 HydrophobicContact CE1-CB 4Å; F18-E355 HydrophobicContact CE1-CG 4.16Å; F18-E355 HydrophobicContact CE2-CG 4.34Å; F18-E355 HydrophobicContact CZ-CB 4.02Å; F18-E355 VanDerWaalsContact CZ-CD 3.49Å; F18-E355 HydrophobicContact CZ-CG 3.76Å; F18-P356 HydrophobicContact CB-CG 4.07Å; F18-P356 HydrophobicContact CD1-CG 3.39Å; F18-P356 HydrophobicContact CE1-CG 4Å; F18-P356 HydrophobicContact CG-CG 3.92Å; F18-L392 HydrophobicContact CD1-CD1 4.23Å; F18-L392 HydrophobicContact CE1-CD1 4.49Å |
| 19 | S | 97.1 | Very high | 96.4 | Very high | 24 Ų | 24 | 40.6 Ų | 40.6 | 17% | 0.168 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.9 | -45.5 | -175.3 | -57.8 | 0 | 0 | 0 | 0 | 113.4 | Q15 L21 I22 T23 | Q15-S19 VanDerWaalsContact CG-OG 3.32Å; Q15-S19 WeakPolarHBondContact CG-OG 3.37Å; Q15-S19 VanDerWaalsContact O-CB 3.24Å; Q15-S19 WeakPolarHBondContact O-CB 3.28Å; Q15-S19 PolarHBondContact O-N 3.09Å; Q15-S19 PolarHBondContact O-OG 2.84Å; S19-L21 VanDerWaalsContact C-N 3.3Å; S19-L21 PolarHBondContact O-N 2.91Å; S19-I22 PolarHBondContact O-N 2.75Å; S19-T23 PolarHBondContact O-N 3.44Å; S19-T23 PolarHBondContact O-OG1 2.97Å; S19-T23 VanDerWaalsContact O-OG1 3.13Å |
| 20 | P | 97 | Very high | 96.2 | Very high | 39 Ų | 39 | 37.2 Ų | 37.2 | 25% | 0.253 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61 | -36 | 173.9 | -24.3 | 35.3 | 0 | 0 | 0 | 113.3 | F2 S16 T23 L24 | F2-P20 HydrophobicContact CD1-CG 4.5Å; F2-P20 HydrophobicContact CD2-CB 3.84Å; F2-P20 HydrophobicContact CD2-CG 3.98Å; F2-P20 HydrophobicContact CE1-CG 4.48Å; F2-P20 HydrophobicContact CE2-CB 4.07Å; F2-P20 HydrophobicContact CE2-CG 3.97Å; F2-P20 HydrophobicContact CG-CB 4.4Å; F2-P20 HydrophobicContact CG-CG 4.26Å; F2-P20 HydrophobicContact CZ-CG 4.23Å; S16-P20 WeakPolarHBondContact O-CD 3.34Å; S16-P20 VanDerWaalsContact O-CG 3.31Å; S16-P20 WeakPolarHBondContact O-CG 3.42Å; P20-T23 PolarHBondContact O-N 3.43Å; P20-L24 WeakPolarHBondContact O-CG 3.38Å; P20-L24 PolarHBondContact O-N 2.86Å |
| 21 | L | 97.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.6 | -40 | 179.3 | -59 | -178.3 | 0 | 0 | 0 | 111.8 | I4 I17 F18 S19 T23 L24 E25 A390 L392 | I4-L21 HydrophobicContact CD1-CD1 3.59Å; I4-L21 HydrophobicContact CG1-CD1 3.77Å; I17-L21 WeakPolarHBondContact O-CG 3.34Å; F18-L21 PolarHBondContact O-N 2.86Å; F18-L21 VanDerWaalsContact O-N 3.1Å; S19-L21 VanDerWaalsContact C-N 3.3Å; S19-L21 PolarHBondContact O-N 2.91Å; L21-T23 VanDerWaalsContact C-N 3.3Å; L21-T23 PolarHBondContact O-N 2.76Å; L21-L24 HydrophobicContact CD2-CD1 4.32Å; L21-L24 PolarHBondContact O-N 3.27Å; L21-E25 PolarHBondContact O-N 3.42Å; L21-A390 HydrophobicContact CD1-CB 4.04Å; L21-A390 HydrophobicContact CD2-CB 3.5Å; L21-A390 HydrophobicContact CG-CB 4.44Å; L21-L392 HydrophobicContact CB-CD1 4.4Å; L21-L392 HydrophobicContact CB-CD2 4.25Å |
| 22 | I | 97.7 | Very high | 95.3 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.8 | -42.8 | 172 | -63.6 | 163.7 | 0 | 0 | 0 | 110.1 | F18 S19 E25 A26 F132 M135 R136 L139 P356 | F18-I22 WeakPolarHBondContact O-CG1 3.5Å; F18-I22 PolarHBondContact O-N 3.36Å; S19-I22 PolarHBondContact O-N 2.75Å; I22-E25 PolarHBondContact O-N 2.88Å; I22-A26 VanDerWaalsContact O-CB 3.26Å; I22-A26 WeakPolarHBondContact O-CB 3.36Å; I22-A26 PolarHBondContact O-N 2.73Å; I22-F132 HydrophobicContact CG2-CB 4.02Å; I22-F132 HydrophobicContact CG2-CD1 4.03Å; I22-M135 HydrophobicContact CD1-CB 3.99Å; I22-M135 HydrophobicContact CG2-CE 4.3Å; I22-R136 HydrophobicContact CB-CG 4.36Å; I22-R136 HydrophobicContact CD1-CG 4.19Å; I22-R136 HydrophobicContact CG2-CG 3.86Å; I22-L139 HydrophobicContact CD1-CD1 3.54Å; I22-L139 HydrophobicContact CD1-CG 4.43Å; I22-P356 HydrophobicContact CD1-CB 3.65Å; I22-P356 HydrophobicContact CD1-CG 3.93Å; I22-P356 HydrophobicContact CG1-CB 4.13Å; I22-P356 HydrophobicContact CG1-CG 4.08Å |
| 23 | T | 97.2 | Very high | 94.6 | Very high | 51 Ų | 51 | 44.2 Ų | 44.2 | 31% | 0.313 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63 | -44 | 176.9 | -61 | 0 | 0 | 0 | 0 | 111.6 | S19 P20 L21 E25 A26 E27 | S19-T23 PolarHBondContact O-N 3.44Å; S19-T23 PolarHBondContact O-OG1 2.97Å; S19-T23 VanDerWaalsContact O-OG1 3.13Å; P20-T23 PolarHBondContact O-N 3.43Å; L21-T23 VanDerWaalsContact C-N 3.3Å; L21-T23 PolarHBondContact O-N 2.76Å; T23-E25 VanDerWaalsContact C-N 3.33Å; T23-E25 PolarHBondContact O-N 3.42Å; T23-A26 PolarHBondContact O-N 2.93Å; T23-E27 HydrophobicContact CG2-CG 4.27Å; T23-E27 WeakPolarHBondContact O-CB 3.36Å; T23-E27 WeakPolarHBondContact O-CG 3.42Å; T23-E27 PolarHBondContact O-N 2.67Å |
| 24 | L | 96.5 | Very high | 93.8 | Very high | 64 Ų | 64 | 47.2 Ų | 47.2 | 34% | 0.335 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.1 | -40.7 | 176.7 | -75.3 | 176 | 0 | 0 | 0 | 112.6 | P20 L21 Y28 A387 | P20-L24 WeakPolarHBondContact O-CG 3.38Å; P20-L24 PolarHBondContact O-N 2.86Å; L21-L24 HydrophobicContact CD2-CD1 4.32Å; L21-L24 PolarHBondContact O-N 3.27Å; L24-Y28 WeakPolarHBondContact O-CB 3.42Å; L24-Y28 PolarHBondContact O-N 3.16Å; L24-Y28 VanDerWaalsContact O-N 3.14Å; L24-A387 HydrophobicContact CB-CB 4.37Å |
| 25 | E | 96.8 | Very high | 93 | Very high | 21 Ų | 21 | 50.5 Ų | 50.5 | 10% | 0.098 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.3 | -45.3 | 174.9 | -175.6 | 64.3 | -170.5 | 0 | 0 | 111.2 | L21 I22 T23 E27 Y28 D29 F132 V382 M383 C384 L392 | L21-E25 PolarHBondContact O-N 3.42Å; I22-E25 PolarHBondContact O-N 2.88Å; T23-E25 VanDerWaalsContact C-N 3.33Å; T23-E25 PolarHBondContact O-N 3.42Å; E25-E27 PolarHBondContact O-N 3.45Å; E25-Y28 PolarHBondContact O-N 2.91Å; E25-D29 WeakPolarHBondContact O-CB 3.37Å; E25-D29 PolarHBondContact O-N 3.28Å; E25-F132 HydrophobicContact CB-CE1 4.16Å; E25-F132 HydrophobicContact CG-CE1 3.74Å; E25-F132 HydrophobicContact CG-CZ 4.3Å; E25-V382 WeakPolarHBondContact OE2-CG1 3.47Å; E25-M383 WeakPolarHBondContact OE1-CB 3.32Å; E25-M383 PolarHBondContact OE1-N 2.8Å; E25-M383 PolarHBondContact OE2-N 3.01Å; E25-C384 WeakPolarHBondContact OE2-CA 3.45Å; E25-C384 WeakPolarHBondContact OE2-CB 3.29Å; E25-C384 PolarHBondContact OE2-N 2.75Å; E25-L392 HydrophobicContact CB-CD2 4.14Å |
| 26 | A | 96.2 | Very high | 92.1 | Very high | 5 Ų | 5 | 50.2 Ų | 50.2 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I22 T23 Y28 D29 R30 W127 F132 | I22-A26 VanDerWaalsContact O-CB 3.26Å; I22-A26 WeakPolarHBondContact O-CB 3.36Å; I22-A26 PolarHBondContact O-N 2.73Å; T23-A26 PolarHBondContact O-N 2.93Å; A26-Y28 VanDerWaalsContact C-N 3.34Å; A26-D29 PolarHBondContact O-N 3.39Å; A26-R30 VanDerWaalsContact O-CB 3.32Å; A26-R30 WeakPolarHBondContact O-CB 3.48Å; A26-R30 PolarHBondContact O-N 3.29Å; A26-W127 HydrophobicContact CB-CH2 4.39Å; A26-W127 HydrophobicContact CB-CZ2 4Å; A26-W127 WeakPolarHBondContact O-CZ2 3.31Å; A26-F132 HydrophobicContact CB-CB 3.96Å; A26-F132 HydrophobicContact CB-CD1 3.71Å; A26-F132 HydrophobicContact CB-CD2 3.76Å; A26-F132 HydrophobicContact CB-CE1 4.11Å; A26-F132 HydrophobicContact CB-CE2 4.14Å; A26-F132 HydrophobicContact CB-CG 3.52Å; A26-F132 HydrophobicContact CB-CZ 4.3Å |
| 27 | E | 95.7 | Very high | 91.4 | Very high | 79 Ų | 79 | 49.8 Ų | 49.8 | 37% | 0.369 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.1 | -37 | 177.2 | -74.1 | 179.3 | -178.6 | 0 | 0 | 112.2 | T23 E25 K31 | T23-E27 HydrophobicContact CG2-CG 4.27Å; T23-E27 WeakPolarHBondContact O-CB 3.36Å; T23-E27 WeakPolarHBondContact O-CG 3.42Å; T23-E27 PolarHBondContact O-N 2.67Å; E25-E27 PolarHBondContact O-N 3.45Å; E27-K31 WeakPolarHBondContact O-CB 3.31Å; E27-K31 VanDerWaalsContact O-CG 3.26Å; E27-K31 WeakPolarHBondContact O-CG 3.47Å; E27-K31 PolarHBondContact O-N 3.44Å |
| 28 | Y | 94.1 | Very high | 91 | Very high | 80 Ų | 80 | 50.7 Ų | 50.7 | 31% | 0.314 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.9 | -49.1 | 175.6 | -174.3 | -90.5 | 0 | 0 | 0 | 111 | L24 E25 A26 R30 K31 M32 M383 C384 | L24-Y28 WeakPolarHBondContact O-CB 3.42Å; L24-Y28 PolarHBondContact O-N 3.16Å; L24-Y28 VanDerWaalsContact O-N 3.14Å; E25-Y28 PolarHBondContact O-N 2.91Å; A26-Y28 VanDerWaalsContact C-N 3.34Å; Y28-R30 VanDerWaalsContact C-N 3.31Å; Y28-R30 PolarHBondContact O-N 3.17Å; Y28-K31 PolarHBondContact O-N 3.48Å; Y28-M32 HydrophobicContact CD1-CG 3.92Å; Y28-M32 HydrophobicContact CE1-CG 3.49Å; Y28-M32 VanDerWaalsContact CE1-CG 3.49Å; Y28-M32 HydrophobicContact CE1-SD 4.17Å; Y28-M32 HydrophobicContact CE2-CE 4.43Å; Y28-M32 WeakPolarHBondContact O-CG 3.17Å; Y28-M32 PolarHBondContact O-N 3.4Å; Y28-M383 HydrophobicContact CD1-CB 3.75Å; Y28-M383 HydrophobicContact CE1-CB 3.67Å; Y28-C384 HydrophobicContact CD1-CB 4.37Å; Y28-C384 HydrophobicContact CD2-CB 4.46Å; Y28-C384 HydrophobicContact CG-CB 3.94Å |
| 29 | D | 90.9 | Very high | 90.6 | Very high | 35 Ų | 35 | 55.6 Ų | 55.6 | 19% | 0.187 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58 | -43.7 | 176.1 | -176.3 | 59 | 0 | 0 | 0 | 111.2 | E25 A26 M32 K33 W127 F132 | E25-D29 WeakPolarHBondContact O-CB 3.37Å; E25-D29 PolarHBondContact O-N 3.28Å; A26-D29 PolarHBondContact O-N 3.39Å; D29-M32 PolarHBondContact O-N 3.32Å; D29-K33 WeakPolarHBondContact O-CG 3.31Å; D29-K33 PolarHBondContact O-N 3.27Å; D29-K33 WeakPolarHBondContact OD1-CE 3.3Å; D29-K33 IonicContact OD2-NZ 2.9Å; D29-W127 PolarHBondContact OD2-NE1 3.12Å; D29-F132 HydrophobicContact CB-CE2 4.24Å; D29-F132 HydrophobicContact CB-CZ 3.96Å |
| 30 | R | 90.5 | Very high | 90.1 | Very high | 98 Ų | 98 | 61.2 Ų | 61.2 | 37% | 0.37 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.5 | -51.9 | 175.1 | -170.3 | -180 | 77.2 | -167.8 | -2.9 | 111.7 | A26 Y28 M32 K33 E34 W127 | A26-R30 VanDerWaalsContact O-CB 3.32Å; A26-R30 WeakPolarHBondContact O-CB 3.48Å; A26-R30 PolarHBondContact O-N 3.29Å; Y28-R30 VanDerWaalsContact C-N 3.31Å; Y28-R30 PolarHBondContact O-N 3.17Å; R30-M32 VanDerWaalsContact C-N 3.3Å; R30-M32 PolarHBondContact O-N 3.06Å; R30-K33 PolarHBondContact O-N 3.26Å; R30-E34 WeakPolarHBondContact CD-OE1 3.12Å; R30-E34 VanDerWaalsContact CG-CD 3.44Å; R30-E34 HydrophobicContact CG-CG 4.15Å; R30-E34 VanDerWaalsContact CG-OE1 3.26Å; R30-E34 WeakPolarHBondContact CG-OE1 3.47Å; R30-E34 IonicContact NE-OE1 3.74Å; R30-E34 IonicContact NE-OE2 3.68Å; R30-E34 WeakPolarHBondContact O-CB 3.3Å; R30-E34 WeakPolarHBondContact O-CG 3.33Å; R30-E34 PolarHBondContact O-N 3.32Å; R30-W127 VanDerWaalsContact CA-CD1 3.47Å; R30-W127 HydrophobicContact CB-CD2 3.63Å; R30-W127 HydrophobicContact CB-CE3 4.04Å; R30-W127 HydrophobicContact CB-CG 3.89Å; R30-W127 HydrophobicContact CB-CH2 4.45Å; R30-W127 HydrophobicContact CB-CZ2 4.11Å; R30-W127 HydrophobicContact CB-CZ3 4.42Å; R30-W127 HydrophobicContact CG-CB 4.14Å; R30-W127 HydrophobicContact CG-CD2 3.63Å; R30-W127 HydrophobicContact CG-CE3 3.69Å; R30-W127 HydrophobicContact CG-CG 3.83Å; R30-W127 HydrophobicContact CG-CZ3 4.28Å |
| 31 | K | 89.1 | Confident | 89.8 | Confident | 117 Ų | 117 | 59.5 Ų | 59.5 | 51% | 0.509 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.8 | -39.7 | 179.2 | -76.1 | 172.1 | -177.6 | 173.2 | 0 | 112.3 | E27 Y28 A35 | E27-K31 WeakPolarHBondContact O-CB 3.31Å; E27-K31 VanDerWaalsContact O-CG 3.26Å; E27-K31 WeakPolarHBondContact O-CG 3.47Å; E27-K31 PolarHBondContact O-N 3.44Å; Y28-K31 PolarHBondContact O-N 3.48Å; K31-A35 WeakPolarHBondContact O-CB 3.41Å; K31-A35 PolarHBondContact O-N 2.89Å |
| 32 | M | 84.6 | Confident | 89.6 | Confident | 77 Ų | 77 | 63.1 Ų | 63.1 | 38% | 0.379 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | 178.1 | -69 | -60 | 94.4 | 0 | 0 | 111.8 | Y28 D29 R30 Q36 | Y28-M32 HydrophobicContact CD1-CG 3.92Å; Y28-M32 HydrophobicContact CE1-CG 3.49Å; Y28-M32 VanDerWaalsContact CE1-CG 3.49Å; Y28-M32 HydrophobicContact CE1-SD 4.17Å; Y28-M32 HydrophobicContact CE2-CE 4.43Å; Y28-M32 WeakPolarHBondContact O-CG 3.17Å; Y28-M32 PolarHBondContact O-N 3.4Å; D29-M32 PolarHBondContact O-N 3.32Å; R30-M32 VanDerWaalsContact C-N 3.3Å; R30-M32 PolarHBondContact O-N 3.06Å; M32-Q36 VanDerWaalsContact O-CD 3.26Å; M32-Q36 WeakPolarHBondContact O-CG 3.04Å; M32-Q36 PolarHBondContact O-NE2 3.27Å |
| 33 | K | 82.5 | Confident | 89.4 | Confident | 64 Ų | 64 | 63 Ų | 63 | 28% | 0.278 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -70.8 | -42 | 176.3 | -65.8 | -164.9 | -164.7 | 175.9 | 0 | 112.7 | D29 R30 A35 Q36 F125 W127 | D29-K33 WeakPolarHBondContact O-CG 3.31Å; D29-K33 PolarHBondContact O-N 3.27Å; D29-K33 WeakPolarHBondContact OD1-CE 3.3Å; D29-K33 IonicContact OD2-NZ 2.9Å; R30-K33 PolarHBondContact O-N 3.26Å; K33-A35 VanDerWaalsContact C-N 3.27Å; K33-A35 PolarHBondContact O-N 3.32Å; K33-Q36 WeakPolarHBondContact O-CB 3.19Å; K33-Q36 PolarHBondContact O-N 3.35Å; K33-F125 HydrophobicContact CB-CB 4.23Å; K33-W127 HydrophobicContact CB-CB 4.4Å; K33-W127 HydrophobicContact CD-CB 4.43Å |
| 34 | E | 80.5 | Confident | 89.2 | Confident | 105 Ų | 105 | 66.8 Ų | 66.8 | 49% | 0.491 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.8 | -28.1 | 178.2 | -72.3 | 173.7 | 170.9 | 0 | 0 | 112.2 | R30 Q36 | R30-E34 WeakPolarHBondContact CD-OE1 3.12Å; R30-E34 VanDerWaalsContact CG-CD 3.44Å; R30-E34 HydrophobicContact CG-CG 4.15Å; R30-E34 VanDerWaalsContact CG-OE1 3.26Å; R30-E34 WeakPolarHBondContact CG-OE1 3.47Å; R30-E34 IonicContact NE-OE1 3.74Å; R30-E34 IonicContact NE-OE2 3.68Å; R30-E34 WeakPolarHBondContact O-CB 3.3Å; R30-E34 WeakPolarHBondContact O-CG 3.33Å; R30-E34 PolarHBondContact O-N 3.32Å; E34-Q36 PolarHBondContact O-N 3.38Å |
| 35 | A | 80.8 | Confident | 89.1 | Confident | 69 Ų | 69 | 65.1 Ų | 65.1 | 57% | 0.57 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -5.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | K31 K33 T37 | K31-A35 WeakPolarHBondContact O-CB 3.41Å; K31-A35 PolarHBondContact O-N 2.89Å; K33-A35 VanDerWaalsContact C-N 3.27Å; K33-A35 PolarHBondContact O-N 3.32Å; A35-T37 VanDerWaalsContact C-N 3.34Å; A35-T37 PolarHBondContact O-N 3.47Å |
| 36 | Q | 77.7 | Confident | 88.8 | Confident | 47 Ų | 47 | 67.4 Ų | 67.4 | 22% | 0.22 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 20.9 | -175.7 | -73.9 | 165.7 | 0.1 | 0 | 0 | 114.2 | M32 K33 E34 M67 F125 | M32-Q36 VanDerWaalsContact O-CD 3.26Å; M32-Q36 WeakPolarHBondContact O-CG 3.04Å; M32-Q36 PolarHBondContact O-NE2 3.27Å; K33-Q36 WeakPolarHBondContact O-CB 3.19Å; K33-Q36 PolarHBondContact O-N 3.35Å; E34-Q36 PolarHBondContact O-N 3.38Å; Q36-M67 HydrophobicContact CB-SD 3.78Å; Q36-M67 HydrophobicContact CG-SD 3.83Å; Q36-M67 PolarHBondContact OE1-SD 3.31Å; Q36-F125 HydrophobicContact CB-CD2 3.92Å; Q36-F125 HydrophobicContact CB-CE2 4.44Å; Q36-F125 HydrophobicContact CB-CG 4.38Å |
| 37 | T | 83.2 | Confident | 88.2 | Confident | 48 Ų | 48 | 72.5 Ų | 72.5 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | trans | -56.4 | 139.9 | 170.2 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | A35 K61 V123 D124 | A35-T37 VanDerWaalsContact C-N 3.34Å; A35-T37 PolarHBondContact O-N 3.47Å; T37-K61 PolarHBondContact O-NZ 2.89Å; T37-V123 WeakPolarHBondContact CA-O 3.45Å; T37-D124 VanDerWaalsContact CB-OD1 3.31Å; T37-D124 WeakPolarHBondContact CB-OD1 3.46Å; T37-D124 WeakPolarHBondContact CG2-OD1 3.5Å; T37-D124 PolarHBondContact OG1-OD1 2.71Å | ||
| 38 | Q | 88.2 | Confident | 87 | Confident | 34 Ų | 34 | 69.8 Ų | 69.8 | 16% | 0.159 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 120.6 | 167.8 | -174.9 | 179.3 | -46.3 | 0 | 0 | 109.3 | V41 K58 L59 S122 V123 | Q38-V41 HydrophobicContact CB-CG2 4.29Å; Q38-V41 HydrophobicContact CG-CG2 3.94Å; Q38-V41 WeakPolarHBondContact O-CG2 3.32Å; Q38-K58 PolarHBondContact NE2-O 2.99Å; Q38-L59 HydrophobicContact CB-CD2 4.23Å; Q38-L59 VanDerWaalsContact OE1-CA 3.23Å; Q38-S122 CarbonylContact O-C 3.4Å; Q38-S122 VanDerWaalsContact O-CA 3.23Å; Q38-S122 WeakPolarHBondContact O-CA 3.36Å; Q38-S122 WeakPolarHBondContact O-CB 3.4Å; Q38-V123 PolarHBondContact N-O 3.5Å; Q38-V123 PolarHBondContact O-N 3.37Å |
| 39 | D | 88.8 | Confident | 85.6 | Confident | 103 Ų | 103 | 74.5 Ų | 74.5 | 55% | 0.551 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 169.9 | 176.8 | -61 | -49.8 | 0 | 0 | 0 | 112.1 | V41 S122 | D39-V41 PolarHBondContact O-N 2.96Å; D39-S122 WeakPolarHBondContact OD1-CB 3.26Å |
| 40 | N | 87.3 | Confident | 84.5 | Confident | 142 Ų | 142 | 76.1 Ų | 76.1 | 76% | 0.759 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 54.5 | 37.6 | 176.4 | -62.2 | -33.6 | 0 | 0 | 0 | 113.8 | F121 | N40-F121 PolarHBondContact N-O 3.5Å; N40-F121 VanDerWaalsContact N-O 3.13Å |
| 41 | V | 90.8 | Very high | 83.7 | Confident | 3 Ų | 3 | 79.1 Ų | 79.1 | 2% | 0.018 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 128.8 | 176.3 | -177.5 | 0 | 0 | 0 | 0 | 109 | Q38 D39 V43 F57 F121 V123 | Q38-V41 HydrophobicContact CB-CG2 4.29Å; Q38-V41 HydrophobicContact CG-CG2 3.94Å; Q38-V41 WeakPolarHBondContact O-CG2 3.32Å; D39-V41 PolarHBondContact O-N 2.96Å; V41-V43 HydrophobicContact CG1-CG2 4.24Å; V41-F57 HydrophobicContact CG1-CB 3.4Å; V41-F57 VanDerWaalsContact CG1-CB 3.4Å; V41-F57 HydrophobicContact CG1-CD2 3.85Å; V41-F57 HydrophobicContact CG1-CG 3.77Å; V41-F121 HydrophobicContact CB-CB 4.26Å; V41-F121 PolarHBondContact N-O 2.96Å; V41-F121 WeakPolarHBondContact O-CB 3.31Å; V41-V123 HydrophobicContact CB-CG2 4.28Å; V41-V123 HydrophobicContact CG1-CG2 4.12Å; V41-V123 HydrophobicContact CG2-CG2 3.86Å |
| 42 | T | 92.1 | Very high | 83.4 | Confident | 80 Ų | 80 | 75.9 Ų | 75.9 | 49% | 0.491 | 39% | 0.391 | S | S | . | . | trans | -90.2 | 123.7 | 170 | -54.4 | 0 | 0 | 0 | 0 | 108.8 | F57 T118 | T42-F57 WeakPolarHBondContact O-CB 3.38Å; T42-T118 CarbonylContact C-O 3.59Å; T42-T118 VanDerWaalsContact CA-O 3.3Å; T42-T118 WeakPolarHBondContact CA-O 3.41Å; T42-T118 WeakPolarHBondContact CG2-O 3.21Å | ||
| 43 | V | 93.6 | Very high | 83.6 | Confident | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.006 | 39% | 0.386 | C | S | . | . | trans | -109 | 130 | -176.8 | 177.3 | 0 | 0 | 0 | 0 | 109.7 | V41 W45 A55 F57 L77 T118 F121 | V41-V43 HydrophobicContact CG1-CG2 4.24Å; V43-W45 HydrophobicContact CG1-CD2 3.95Å; V43-W45 HydrophobicContact CG1-CG 4.29Å; V43-W45 HydrophobicContact CG1-CZ2 4.02Å; V43-A55 HydrophobicContact CG1-CB 3.58Å; V43-F57 HydrophobicContact CG2-CB 4.32Å; V43-F57 HydrophobicContact CG2-CD1 4.38Å; V43-L77 HydrophobicContact CG2-CD2 4.21Å; V43-T118 PolarHBondContact N-O 3.36Å; V43-T118 WeakPolarHBondContact O-CA 3.15Å; V43-T118 WeakPolarHBondContact O-CB 3.31Å; V43-T118 WeakPolarHBondContact O-CG2 3.21Å; V43-F121 HydrophobicContact CB-CD2 3.92Å; V43-F121 HydrophobicContact CB-CE2 4.05Å; V43-F121 HydrophobicContact CB-CG 4.34Å; V43-F121 HydrophobicContact CG2-CB 3.84Å; V43-F121 HydrophobicContact CG2-CD1 4.11Å; V43-F121 HydrophobicContact CG2-CD2 3.63Å; V43-F121 HydrophobicContact CG2-CE2 4.2Å; V43-F121 HydrophobicContact CG2-CG 3.58Å | ||
| 44 | R | 94 | Very high | 84 | Confident | 130 Ų | 130 | 72.3 Ų | 72.3 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 119.2 | 164.1 | -174 | -168.5 | 78.4 | 87.7 | -0.8 | 108.6 | D46 F56 | R44-D46 IonicContact CZ-OD2 3.68Å; R44-D46 IonicContact NH1-OD2 3.47Å; R44-D46 PolarHBondContact NH1-OD2 3.14Å; R44-D46 IonicContact NH2-OD2 3.71Å; R44-D46 PolarHBondContact NH2-OD2 3.13Å; R44-F56 HydrophobicContact CB-CB 4.37Å; R44-F56 PolarHBondContact N-O 2.72Å; R44-F56 VanDerWaalsContact NH2-CE2 3.29Å; R44-F56 PolarHBondContact O-N 3.48Å |
| 45 | W | 93.4 | Very high | 84.7 | Confident | 29 Ų | 29 | 67.3 Ų | 67.3 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 146.9 | 176 | -65.2 | 104.4 | 0 | 0 | 0 | 112 | V43 H53 V54 A55 L77 W86 M107 V113 P114 V117 F121 | V43-W45 HydrophobicContact CG1-CD2 3.95Å; V43-W45 HydrophobicContact CG1-CG 4.29Å; V43-W45 HydrophobicContact CG1-CZ2 4.02Å; W45-H53 HydrophobicContact CE3-CB 4.17Å; W45-H53 HydrophobicContact CZ3-CB 4.19Å; W45-V54 CarbonylContact C-O 3.58Å; W45-V54 WeakPolarHBondContact CA-O 3.37Å; W45-A55 HydrophobicContact CE3-CB 3.98Å; W45-A55 HydrophobicContact CH2-CB 4.02Å; W45-A55 HydrophobicContact CZ3-CB 3.66Å; W45-L77 HydrophobicContact CH2-CD1 4.24Å; W45-W86 HydrophobicContact CH2-CH2 4.21Å; W45-M107 HydrophobicContact CH2-CG 4.18Å; W45-M107 HydrophobicContact CZ3-CG 3.74Å; W45-V113 HydrophobicContact CH2-CB 4.01Å; W45-V113 HydrophobicContact CH2-CG1 4.23Å; W45-V113 HydrophobicContact CZ2-CB 4.49Å; W45-V113 HydrophobicContact CZ3-CB 4.17Å; W45-V113 HydrophobicContact CZ3-CG1 4.24Å; W45-V113 HydrophobicContact CZ3-CG2 4.4Å; W45-P114 PolarHBondContact NE1-O 2.81Å; W45-V117 PolarHBondContact NE1-O 3.3Å; W45-F121 AromaticContact CZ2-CE1 3.74Å; W45-F121 HydrophobicContact CZ2-CE1 3.74Å; W45-F121 AromaticContact CZ2-CZ 3.76Å; W45-F121 HydrophobicContact CZ2-CZ 3.76Å; W45-F121 AromaticContact NE1-CZ 3.79Å |
| 46 | D | 90.4 | Very high | 85.3 | Confident | 69 Ų | 69 | 66 Ų | 66 | 37% | 0.369 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 167.1 | 172.2 | -140.9 | -35.7 | 0 | 0 | 0 | 109.6 | R44 H53 V54 F56 | R44-D46 IonicContact CZ-OD2 3.68Å; R44-D46 IonicContact NH1-OD2 3.47Å; R44-D46 PolarHBondContact NH1-OD2 3.14Å; R44-D46 IonicContact NH2-OD2 3.71Å; R44-D46 PolarHBondContact NH2-OD2 3.13Å; D46-H53 WeakPolarHBondContact O-CA 3.02Å; D46-V54 PolarHBondContact N-O 3.18Å; D46-V54 PolarHBondContact O-N 3.08Å; D46-F56 HydrophobicContact CB-CD2 4.19Å; D46-F56 HydrophobicContact CB-CE2 3.77Å |
| 47 | I | 83.9 | Confident | 86.1 | Confident | 112 Ų | 112 | 64 Ų | 64 | 57% | 0.574 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 115.3 | 174.7 | -60.6 | 171.7 | 0 | 0 | 0 | 107.9 | ||
| 48 | G | 71.5 | Confident | 86.4 | Confident | 22 Ų | 22 | 67.1 Ų | 67.1 | 23% | 0.227 | 33% | 0.333 | C | S | . | . | trans | -72 | 170.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N50 K51 K52 | G48-N50 PolarHBondContact O-N 3.48Å; G48-N50 VanDerWaalsContact O-N 3.11Å; G48-K51 PolarHBondContact O-N 3.31Å; G48-K52 PolarHBondContact N-O 3.06Å | ||
| 49 | L | 64.5 | Low | 86.3 | Confident | 180 Ų | 180 | 65.5 Ų | 65.5 | 94% | 0.942 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -34.7 | -177 | -68.8 | 168.6 | 0 | 0 | 0 | 113.3 | K51 | L49-K51 PolarHBondContact O-N 2.95Š|
| 50 | N | 68 | Low | 85.8 | Confident | 69 Ų | 69 | 63.9 Ų | 63.9 | 37% | 0.369 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 23 | -178.7 | -59.5 | -0.2 | 0 | 0 | 0 | 112.7 | G48 K52 | G48-N50 PolarHBondContact O-N 3.48Å; G48-N50 VanDerWaalsContact O-N 3.11Å; N50-K52 HydrophobicContact CB-CG 4.49Å; N50-K52 PolarHBondContact O-N 3.24Å |
| 51 | K | 73.1 | Confident | 85.1 | Confident | 161 Ų | 161 | 60.5 Ų | 60.5 | 70% | 0.7 | 30% | 0.298 | S | S | * | . | S | Bend | trans | 58.7 | 13 | -173.8 | -56.4 | 179.3 | -179 | 173.8 | 0 | 115 | G48 L49 | G48-K51 PolarHBondContact O-N 3.31Å; L49-K51 PolarHBondContact O-N 2.95Å |
| 52 | K | 81.9 | Confident | 84.1 | Confident | 49 Ų | 49 | 61.3 Ų | 61.3 | 21% | 0.213 | 30% | 0.303 | C | S | . | . | trans | -79.6 | 142.9 | 175.1 | -71.1 | -177.1 | -176.8 | -179 | 0 | 110.6 | G48 N50 E106 I109 | G48-K52 PolarHBondContact N-O 3.06Å; N50-K52 HydrophobicContact CB-CG 4.49Å; N50-K52 PolarHBondContact O-N 3.24Å; K52-E106 HydrophobicContact CB-CG 3.98Å; K52-E106 HydrophobicContact CD-CG 3.7Å; K52-E106 WeakPolarHBondContact CD-OE1 3.49Å; K52-E106 IonicContact NZ-OE1 2.89Å; K52-E106 PolarHBondContact NZ-OE1 3.31Å; K52-I109 HydrophobicContact CD-CD1 4.35Å; K52-I109 HydrophobicContact CD-CG1 4.12Å; K52-I109 HydrophobicContact CG-CD1 3.88Å; K52-I109 HydrophobicContact CG-CG1 3.54Å | ||
| 53 | H | 88.8 | Confident | 82.9 | Confident | 60 Ų | 60 | 60.9 Ų | 60.9 | 28% | 0.278 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 134.5 | 172.1 | -69.4 | -87.1 | 0 | 0 | 0 | 110.9 | W45 D46 M107 V113 | W45-H53 HydrophobicContact CE3-CB 4.17Å; W45-H53 HydrophobicContact CZ3-CB 4.19Å; D46-H53 WeakPolarHBondContact O-CA 3.02Å; H53-M107 WeakPolarHBondContact O-CB 3.5Å; H53-M107 PolarHBondContact O-N 2.67Å; H53-V113 HydrophobicContact CB-CG1 4.23Å; H53-V113 HydrophobicContact CB-CG2 3.72Å; H53-V113 WeakPolarHBondContact CD2-CG2 3.47Å |
| 54 | V | 91.8 | Very high | 81.5 | Confident | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.03 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 123.4 | 175.8 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | W45 D46 F56 I93 L105 | W45-V54 CarbonylContact C-O 3.58Å; W45-V54 WeakPolarHBondContact CA-O 3.37Å; D46-V54 PolarHBondContact N-O 3.18Å; D46-V54 PolarHBondContact O-N 3.08Å; V54-F56 HydrophobicContact CB-CE2 4.06Å; V54-F56 HydrophobicContact CG1-CD2 4.1Å; V54-F56 HydrophobicContact CG1-CE1 4.25Å; V54-F56 HydrophobicContact CG1-CE2 3.51Å; V54-F56 HydrophobicContact CG1-CZ 3.6Å; V54-I93 HydrophobicContact CG1-CD1 3.82Å; V54-I93 HydrophobicContact CG2-CD1 4.22Å; V54-L105 CarbonylContact C-O 3.55Å; V54-L105 WeakPolarHBondContact CA-O 3.49Å |
| 55 | A | 94.1 | Very high | 80 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 125.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | V43 W45 F57 L77 G104 L105 | V43-A55 HydrophobicContact CG1-CB 3.58Å; W45-A55 HydrophobicContact CE3-CB 3.98Å; W45-A55 HydrophobicContact CH2-CB 4.02Å; W45-A55 HydrophobicContact CZ3-CB 3.66Å; A55-F57 HydrophobicContact CB-CD1 4.16Å; A55-F57 HydrophobicContact CB-CE1 4.2Å; A55-L77 HydrophobicContact CB-CD1 3.48Å; A55-L77 VanDerWaalsContact CB-CD1 3.48Å; A55-G104 WeakPolarHBondContact O-CA 3.45Å; A55-L105 HydrophobicContact CB-CB 4.36Å; A55-L105 PolarHBondContact N-O 3.34Å; A55-L105 PolarHBondContact O-N 3Å |
| 56 | F | 94.7 | Very high | 78.5 | Confident | 42 Ų | 42 | 64.9 Ų | 64.9 | 18% | 0.184 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 127.4 | 171.2 | -66.2 | -84.3 | 0 | 0 | 0 | 110.5 | R44 D46 V54 K94 V103 | R44-F56 HydrophobicContact CB-CB 4.37Å; R44-F56 PolarHBondContact N-O 2.72Å; R44-F56 VanDerWaalsContact NH2-CE2 3.29Å; R44-F56 PolarHBondContact O-N 3.48Å; D46-F56 HydrophobicContact CB-CD2 4.19Å; D46-F56 HydrophobicContact CB-CE2 3.77Å; V54-F56 HydrophobicContact CB-CE2 4.06Å; V54-F56 HydrophobicContact CG1-CD2 4.1Å; V54-F56 HydrophobicContact CG1-CE1 4.25Å; V54-F56 HydrophobicContact CG1-CE2 3.51Å; V54-F56 HydrophobicContact CG1-CZ 3.6Å; F56-K94 HydrophobicContact CE1-CD 4.34Å; F56-V103 VanDerWaalsContact CA-O 3.29Å; F56-V103 WeakPolarHBondContact CA-O 3.38Å |
| 57 | F | 94.3 | Very high | 77.5 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 2% | 0.022 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 171.2 | -178.9 | 54.4 | -90.6 | 0 | 0 | 0 | 111.4 | V41 T42 V43 A55 L59 L75 L77 T102 V103 L105 V123 | V41-F57 HydrophobicContact CG1-CB 3.4Å; V41-F57 VanDerWaalsContact CG1-CB 3.4Å; V41-F57 HydrophobicContact CG1-CD2 3.85Å; V41-F57 HydrophobicContact CG1-CG 3.77Å; T42-F57 WeakPolarHBondContact O-CB 3.38Å; V43-F57 HydrophobicContact CG2-CB 4.32Å; V43-F57 HydrophobicContact CG2-CD1 4.38Å; A55-F57 HydrophobicContact CB-CD1 4.16Å; A55-F57 HydrophobicContact CB-CE1 4.2Å; F57-L59 HydrophobicContact CD2-CD2 3.92Å; F57-L59 HydrophobicContact CD2-CG 3.96Å; F57-L59 HydrophobicContact CE2-CD1 3.98Å; F57-L59 HydrophobicContact CE2-CD2 3.73Å; F57-L59 HydrophobicContact CE2-CG 3.67Å; F57-L75 HydrophobicContact CE2-CD1 4.36Å; F57-L75 HydrophobicContact CZ-CD1 3.97Å; F57-L77 HydrophobicContact CD1-CD2 4.49Å; F57-L77 HydrophobicContact CE1-CD1 4.15Å; F57-L77 HydrophobicContact CE1-CD2 4.17Å; F57-L77 HydrophobicContact CE1-CG 4.42Å; F57-T102 CarbonylContact O-C 3.24Å; F57-T102 WeakPolarHBondContact O-CA 3.33Å; F57-V103 HydrophobicContact CD2-CB 4.23Å; F57-V103 HydrophobicContact CE2-CB 3.96Å; F57-V103 HydrophobicContact CE2-CG1 4.01Å; F57-V103 HydrophobicContact CE2-CG2 4.43Å; F57-V103 HydrophobicContact CZ-CB 4.25Å; F57-V103 HydrophobicContact CZ-CG1 3.89Å; F57-V103 PolarHBondContact N-O 2.9Å; F57-V103 PolarHBondContact O-N 3.12Å; F57-L105 HydrophobicContact CE1-CB 3.7Å; F57-L105 HydrophobicContact CE1-CD2 4.11Å; F57-L105 HydrophobicContact CZ-CB 4.15Å; F57-L105 HydrophobicContact CZ-CD2 4.27Å; F57-V123 HydrophobicContact CD2-CG2 3.96Å; F57-V123 HydrophobicContact CE2-CB 4.44Å; F57-V123 HydrophobicContact CE2-CG1 4.13Å; F57-V123 HydrophobicContact CE2-CG2 3.56Å; F57-V123 HydrophobicContact CZ-CG1 4.31Å; F57-V123 HydrophobicContact CZ-CG2 3.9Å |
| 58 | K | 89.8 | Confident | 76.9 | Confident | 113 Ų | 113 | 65.2 Ų | 65.2 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 136.7 | 178.3 | -60.7 | -175.2 | -177.6 | -161.1 | 0 | 110.6 | Q38 D101 T102 | Q38-K58 PolarHBondContact NE2-O 2.99Å; K58-D101 WeakPolarHBondContact CD-OD2 3.45Å; K58-D101 VanDerWaalsContact CE-CG 3.44Å; K58-D101 WeakPolarHBondContact CE-OD1 3.36Å; K58-D101 WeakPolarHBondContact CE-OD2 3.31Å; K58-D101 VanDerWaalsContact NZ-CG 3.33Å; K58-D101 IonicContact NZ-OD1 3.85Å; K58-D101 PolarHBondContact NZ-OD1 2.56Å; K58-D101 IonicContact NZ-OD2 3.9Å; K58-D101 PolarHBondContact NZ-OD2 2.62Å; K58-T102 HydrophobicContact CG-CG2 4.45Å |
| 59 | L | 85.4 | Confident | 77.4 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | trans | -113.6 | 107.4 | 173.4 | -69.2 | -177.2 | 0 | 0 | 0 | 110.4 | Q38 F57 K61 V62 T63 M67 L69 L75 V103 V123 F125 | Q38-L59 HydrophobicContact CB-CD2 4.23Å; Q38-L59 VanDerWaalsContact OE1-CA 3.23Å; F57-L59 HydrophobicContact CD2-CD2 3.92Å; F57-L59 HydrophobicContact CD2-CG 3.96Å; F57-L59 HydrophobicContact CE2-CD1 3.98Å; F57-L59 HydrophobicContact CE2-CD2 3.73Å; F57-L59 HydrophobicContact CE2-CG 3.67Å; L59-K61 VanDerWaalsContact C-N 3.32Å; L59-K61 PolarHBondContact O-N 3.21Å; L59-V62 HydrophobicContact CB-CB 4.05Å; L59-V62 HydrophobicContact CB-CG2 3.63Å; L59-V62 HydrophobicContact CD1-CG2 3.87Å; L59-V62 HydrophobicContact CG-CG2 4.42Å; L59-V62 WeakPolarHBondContact O-CB 3.47Å; L59-V62 PolarHBondContact O-N 3.48Å; L59-T63 PolarHBondContact O-N 3.06Å; L59-T63 PolarHBondContact O-OG1 3.5Å; L59-M67 HydrophobicContact CD1-CE 4.23Å; L59-L69 HydrophobicContact CD1-CD2 4.33Å; L59-L75 HydrophobicContact CD1-CD1 4.2Å; L59-V103 HydrophobicContact CB-CG2 4.23Å; L59-V103 HydrophobicContact CD1-CG2 3.91Å; L59-V103 HydrophobicContact CG-CG2 3.92Å; L59-V123 HydrophobicContact CD2-CB 4.07Å; L59-V123 HydrophobicContact CD2-CG1 4.11Å; L59-V123 HydrophobicContact CD2-CG2 4.15Å; L59-F125 HydrophobicContact CD1-CE2 4.22Å; L59-F125 HydrophobicContact CD1-CZ 3.91Å | ||
| 60 | T | 78 | Confident | 78.2 | Confident | 69 Ų | 69 | 60.6 Ų | 60.6 | 42% | 0.423 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.6 | -45.2 | -173.8 | -48.1 | 0 | 0 | 0 | 0 | 111.5 | V62 T63 E64 | T60-V62 VanDerWaalsContact C-N 3.27Å; T60-V62 PolarHBondContact O-N 2.72Å; T60-T63 VanDerWaalsContact CA-OG1 3.28Å; T60-T63 WeakPolarHBondContact CA-OG1 3.28Å; T60-T63 PolarHBondContact O-N 3.24Å; T60-T63 VanDerWaalsContact O-N 3.16Å; T60-T63 PolarHBondContact O-OG1 3.46Å; T60-E64 HydrophobicContact CG2-CG 4.35Å; T60-E64 WeakPolarHBondContact CG2-OE1 3.31Å; T60-E64 WeakPolarHBondContact O-CB 3.23Å; T60-E64 WeakPolarHBondContact O-CG 3.28Å; T60-E64 PolarHBondContact O-N 2.84Å |
| 61 | K | 74.1 | Confident | 78.9 | Confident | 71 Ų | 71 | 61.1 Ų | 61.1 | 31% | 0.309 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.6 | -28.7 | 178.4 | -66.4 | 176.7 | 179.8 | 166.7 | 0 | 113.4 | T37 L59 D66 M67 | T37-K61 PolarHBondContact O-NZ 2.89Å; L59-K61 VanDerWaalsContact C-N 3.32Å; L59-K61 PolarHBondContact O-N 3.21Å; K61-D66 PolarHBondContact O-N 3.24Å; K61-D66 VanDerWaalsContact O-N 3.13Å; K61-M67 HydrophobicContact CB-CB 4.13Å; K61-M67 HydrophobicContact CB-CE 4.04Å; K61-M67 PolarHBondContact O-N 3.27Å |
| 62 | V | 69.8 | Low | 79.1 | Confident | 20 Ų | 20 | 54 Ų | 54 | 12% | 0.121 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -75.5 | -44.9 | 174.5 | -176.8 | 0 | 0 | 0 | 0 | 109.9 | L59 T60 E64 G65 M67 L69 P96 | L59-V62 HydrophobicContact CB-CB 4.05Å; L59-V62 HydrophobicContact CB-CG2 3.63Å; L59-V62 HydrophobicContact CD1-CG2 3.87Å; L59-V62 HydrophobicContact CG-CG2 4.42Å; L59-V62 WeakPolarHBondContact O-CB 3.47Å; L59-V62 PolarHBondContact O-N 3.48Å; T60-V62 VanDerWaalsContact C-N 3.27Å; T60-V62 PolarHBondContact O-N 2.72Å; V62-E64 VanDerWaalsContact C-N 3.28Å; V62-E64 PolarHBondContact O-N 3.46Å; V62-G65 PolarHBondContact O-N 3.2Å; V62-G65 VanDerWaalsContact O-N 3.12Å; V62-M67 WeakPolarHBondContact CA-O 3.36Å; V62-M67 HydrophobicContact CB-CE 4.44Å; V62-M67 HydrophobicContact CG2-CB 4.49Å; V62-M67 HydrophobicContact CG2-CE 3.18Å; V62-L69 HydrophobicContact CG1-CB 4.14Å; V62-L69 HydrophobicContact CG2-CB 4Å; V62-P96 HydrophobicContact CB-CG 4.41Å; V62-P96 HydrophobicContact CG1-CB 4.43Å; V62-P96 HydrophobicContact CG1-CG 3.78Å |
| 63 | T | 65.5 | Low | 79.3 | Confident | 70 Ų | 70 | 53.8 Ų | 53.8 | 43% | 0.429 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.2 | -31.8 | -179.2 | 49.5 | 0 | 0 | 0 | 0 | 112.7 | L59 T60 G65 D101 | L59-T63 PolarHBondContact O-N 3.06Å; L59-T63 PolarHBondContact O-OG1 3.5Å; T60-T63 VanDerWaalsContact CA-OG1 3.28Å; T60-T63 WeakPolarHBondContact CA-OG1 3.28Å; T60-T63 PolarHBondContact O-N 3.24Å; T60-T63 VanDerWaalsContact O-N 3.16Å; T60-T63 PolarHBondContact O-OG1 3.46Å; T63-G65 VanDerWaalsContact C-N 3.27Å; T63-G65 PolarHBondContact O-N 3.31Å; T63-D101 HydrophobicContact CG2-CB 3.92Å |
| 64 | E | 65 | Low | 79.3 | Confident | 118 Ų | 118 | 52.4 Ų | 52.4 | 55% | 0.551 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -9 | 175.9 | -71.2 | 173.9 | 168.5 | 0 | 0 | 113 | T60 V62 D66 | T60-E64 HydrophobicContact CG2-CG 4.35Å; T60-E64 WeakPolarHBondContact CG2-OE1 3.31Å; T60-E64 WeakPolarHBondContact O-CB 3.23Å; T60-E64 WeakPolarHBondContact O-CG 3.28Å; T60-E64 PolarHBondContact O-N 2.84Å; V62-E64 VanDerWaalsContact C-N 3.28Å; V62-E64 PolarHBondContact O-N 3.46Å; E64-D66 VanDerWaalsContact C-N 3.25Å; E64-D66 PolarHBondContact O-N 2.87Å |
| 65 | G | 61.5 | Low | 79.2 | Confident | 30 Ų | 30 | 52.2 Ų | 52.2 | 31% | 0.309 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -0.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V62 T63 M67 | V62-G65 PolarHBondContact O-N 3.2Å; V62-G65 VanDerWaalsContact O-N 3.12Å; T63-G65 VanDerWaalsContact C-N 3.27Å; T63-G65 PolarHBondContact O-N 3.31Å; G65-M67 PolarHBondContact O-N 3.09Å |
| 66 | D | 62.2 | Low | 79.1 | Confident | 97 Ų | 97 | 53 Ų | 53 | 52% | 0.519 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -65.5 | -18 | 175 | -73.7 | -16.6 | 0 | 0 | 0 | 112.5 | K61 E64 | K61-D66 PolarHBondContact O-N 3.24Å; K61-D66 VanDerWaalsContact O-N 3.13Å; E64-D66 VanDerWaalsContact C-N 3.25Å; E64-D66 PolarHBondContact O-N 2.87Å |
| 67 | M | 68.9 | Low | 79.1 | Confident | 13 Ų | 13 | 51 Ų | 51 | 6% | 0.064 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -141.1 | 133.4 | -177.4 | -173.2 | 171.3 | 66.2 | 0 | 0 | 112.4 | Q36 L59 K61 V62 G65 F125 | Q36-M67 HydrophobicContact CB-SD 3.78Å; Q36-M67 HydrophobicContact CG-SD 3.83Å; Q36-M67 PolarHBondContact OE1-SD 3.31Å; L59-M67 HydrophobicContact CD1-CE 4.23Å; K61-M67 HydrophobicContact CB-CB 4.13Å; K61-M67 HydrophobicContact CB-CE 4.04Å; K61-M67 PolarHBondContact O-N 3.27Å; V62-M67 WeakPolarHBondContact CA-O 3.36Å; V62-M67 HydrophobicContact CB-CE 4.44Å; V62-M67 HydrophobicContact CG2-CB 4.49Å; V62-M67 HydrophobicContact CG2-CE 3.18Å; G65-M67 PolarHBondContact O-N 3.09Å; M67-F125 HydrophobicContact CE-CD2 4.48Å; M67-F125 HydrophobicContact CE-CE1 3.91Å; M67-F125 HydrophobicContact CE-CE2 3.38Å; M67-F125 HydrophobicContact CE-CZ 3.05Å; M67-F125 HydrophobicContact CG-CE1 4.46Å; M67-F125 HydrophobicContact CG-CZ 4.46Å; M67-F125 HydrophobicContact SD-CD1 4.28Å; M67-F125 HydrophobicContact SD-CD2 4.11Å; M67-F125 HydrophobicContact SD-CE1 3.65Å; M67-F125 HydrophobicContact SD-CE2 3.52Å; M67-F125 VanDerWaalsContact SD-CE2 3.52Å; M67-F125 HydrophobicContact SD-CZ 3.3Å; M67-F125 WeakPolarHBondContact SD-CZ 3.2Å |
| 68 | K | 71.5 | Confident | 79 | Confident | 175 Ų | 175 | 54.9 Ų | 54.9 | 76% | 0.761 | 28% | 0.279 | S | S | * | . | trans | -95.3 | 117.6 | 171.5 | -78.9 | -176.7 | 176.5 | 177.6 | 0 | 110.6 | ||||
| 69 | L | 82.9 | Confident | 79.1 | Confident | 8 Ų | 8 | 49.7 Ų | 49.7 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | trans | -102.6 | 135.8 | 168.7 | -169.9 | 71.5 | 0 | 0 | 0 | 109.2 | L59 V62 D73 L75 V92 I95 V103 F125 | L59-L69 HydrophobicContact CD1-CD2 4.33Å; V62-L69 HydrophobicContact CG1-CB 4.14Å; V62-L69 HydrophobicContact CG2-CB 4Å; L69-D73 HydrophobicContact CD1-CB 4.31Å; L69-L75 HydrophobicContact CD1-CD1 4.15Å; L69-L75 HydrophobicContact CD1-CD2 4.08Å; L69-L75 HydrophobicContact CD1-CG 4.4Å; L69-L75 HydrophobicContact CD2-CD1 4.37Å; L69-V92 HydrophobicContact CD1-CG2 3.92Å; L69-V92 HydrophobicContact CD2-CG1 3.88Å; L69-V92 HydrophobicContact CD2-CG2 3.96Å; L69-V92 HydrophobicContact CG-CG1 4.16Å; L69-V92 HydrophobicContact CG-CG2 4.08Å; L69-I95 HydrophobicContact CB-CG2 4.37Å; L69-I95 HydrophobicContact CD2-CG2 4.18Å; L69-I95 HydrophobicContact CG-CG2 4.13Å; L69-V103 HydrophobicContact CD2-CB 4.36Å; L69-V103 HydrophobicContact CD2-CG1 3.67Å; L69-V103 HydrophobicContact CD2-CG2 3.71Å; L69-F125 HydrophobicContact CD1-CE1 3.49Å; L69-F125 VanDerWaalsContact CD1-CE1 3.49Å; L69-F125 HydrophobicContact CD1-CZ 3.89Å | ||
| 70 | M | 81.4 | Confident | 79 | Confident | 96 Ų | 96 | 54.1 Ų | 54.1 | 47% | 0.473 | 28% | 0.284 | S | S | . | . | trans | -117.7 | 151.5 | 175.5 | -58.7 | -64.9 | -72.3 | 0 | 0 | 110.6 | G72 D73 | M70-G72 PolarHBondContact O-N 3.03Å; M70-D73 WeakPolarHBondContact CB-OD2 3.41Å; M70-D73 PolarHBondContact N-OD2 3.39Å; M70-D73 VanDerWaalsContact O-CB 3.28Å; M70-D73 WeakPolarHBondContact O-CB 3.41Å; M70-D73 PolarHBondContact O-N 3.41Å | ||
| 71 | Q | 81.4 | Confident | 78.9 | Confident | 80 Ų | 80 | 56.7 Ų | 56.7 | 37% | 0.374 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 141.7 | 167.4 | -68.9 | -178.9 | 2.5 | 0 | 0 | 110.4 | D73 V92 I93 I95 R261 I264 | Q71-D73 VanDerWaalsContact C-N 3.3Å; Q71-V92 CarbonylContact C-O 3.4Å; Q71-V92 WeakPolarHBondContact CA-O 3.45Å; Q71-I93 PolarHBondContact NE2-O 2.99Å; Q71-I95 HydrophobicContact CG-CG2 4.25Å; Q71-R261 PolarHBondContact O-NH1 3.05Å; Q71-I264 HydrophobicContact CB-CD1 4.3Å; Q71-I264 WeakPolarHBondContact O-CD1 3.47Å |
| 72 | G | 78.9 | Confident | 78.8 | Confident | 11 Ų | 11 | 58 Ų | 58 | 11% | 0.113 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | -5.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | M70 V92 | M70-G72 PolarHBondContact O-N 3.03Å; G72-V92 PolarHBondContact N-O 3.29Å |
| 73 | D | 85 | Confident | 79 | Confident | 45 Ų | 45 | 60.7 Ų | 60.7 | 24% | 0.241 | 35% | 0.346 | C | S | . | . | trans | -68 | 151.8 | 170.5 | -67.1 | -10.9 | 0 | 0 | 0 | 110.2 | L69 M70 Q71 H91 V92 R261 | L69-D73 HydrophobicContact CD1-CB 4.31Å; M70-D73 WeakPolarHBondContact CB-OD2 3.41Å; M70-D73 PolarHBondContact N-OD2 3.39Å; M70-D73 VanDerWaalsContact O-CB 3.28Å; M70-D73 WeakPolarHBondContact O-CB 3.41Å; M70-D73 PolarHBondContact O-N 3.41Å; Q71-D73 VanDerWaalsContact C-N 3.3Å; D73-H91 CarbonylContact O-C 3.54Å; D73-H91 WeakPolarHBondContact O-CA 3.32Å; D73-V92 HydrophobicContact CB-CG2 4.32Å; D73-V92 WeakPolarHBondContact O-CG2 3.44Å; D73-V92 PolarHBondContact O-N 3.04Å; D73-R261 IonicContact OD1-NH2 3.51Å; D73-R261 PolarHBondContact OD1-NH2 3.31Å | ||
| 74 | E | 88.2 | Confident | 79.5 | Confident | 32 Ų | 32 | 64.2 Ų | 64.2 | 15% | 0.15 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 130.1 | 179 | -78.6 | 178 | -170.9 | 0 | 0 | 110.5 | V89 G90 H91 V126 K128 | E74-V89 HydrophobicContact CB-CG1 3.96Å; E74-V89 HydrophobicContact CG-CG1 4.05Å; E74-G90 VanDerWaalsContact CA-O 3.3Å; E74-G90 WeakPolarHBondContact CA-O 3.32Å; E74-H91 IonicContact OE1-CD2 3.61Å; E74-H91 IonicContact OE1-CE1 3.92Å; E74-H91 IonicContact OE1-NE2 3.45Å; E74-H91 PolarHBondContact OE1-NE2 3.44Å; E74-V126 HydrophobicContact CB-CB 3.85Å; E74-V126 HydrophobicContact CB-CG1 4.38Å; E74-V126 HydrophobicContact CB-CG2 4.12Å; E74-V126 WeakPolarHBondContact O-CB 3.27Å; E74-V126 PolarHBondContact O-N 2.93Å; E74-V126 VanDerWaalsContact O-N 3.17Å; E74-K128 WeakPolarHBondContact OE1-CE 3.43Å; E74-K128 IonicContact OE1-NZ 3.73Å; E74-K128 PolarHBondContact OE1-NZ 3.48Å; E74-K128 WeakPolarHBondContact OE2-CE 3.45Å; E74-K128 IonicContact OE2-NZ 2.76Å; E74-K128 PolarHBondContact OE2-NZ 2.95Å |
| 75 | L | 91.4 | Very high | 80.5 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 141.8 | 171.6 | -57.5 | 178.1 | 0 | 0 | 0 | 108.9 | F57 L59 L69 V89 G90 V92 V103 L105 V123 D124 F125 | F57-L75 HydrophobicContact CE2-CD1 4.36Å; F57-L75 HydrophobicContact CZ-CD1 3.97Å; L59-L75 HydrophobicContact CD1-CD1 4.2Å; L69-L75 HydrophobicContact CD1-CD1 4.15Å; L69-L75 HydrophobicContact CD1-CD2 4.08Å; L69-L75 HydrophobicContact CD1-CG 4.4Å; L69-L75 HydrophobicContact CD2-CD1 4.37Å; L75-V89 WeakPolarHBondContact O-CA 3.09Å; L75-G90 PolarHBondContact N-O 3.33Å; L75-G90 VanDerWaalsContact N-O 3.1Å; L75-G90 PolarHBondContact O-N 3.44Å; L75-V92 HydrophobicContact CD1-CG2 3.76Å; L75-V92 HydrophobicContact CG-CG2 3.9Å; L75-V103 HydrophobicContact CD1-CG1 4.31Å; L75-L105 HydrophobicContact CB-CD1 3.73Å; L75-L105 HydrophobicContact CB-CD2 4.01Å; L75-L105 HydrophobicContact CD1-CD1 4.13Å; L75-L105 HydrophobicContact CG-CD1 4.08Å; L75-V123 HydrophobicContact CB-CG1 4.09Å; L75-V123 HydrophobicContact CD1-CG1 3.98Å; L75-V123 HydrophobicContact CD2-CG1 4.34Å; L75-V123 HydrophobicContact CG-CG1 4.37Å; L75-D124 WeakPolarHBondContact CA-O 3.42Å; L75-F125 HydrophobicContact CD2-CB 4.49Å; L75-F125 HydrophobicContact CD2-CD1 3.56Å; L75-F125 HydrophobicContact CD2-CD2 3.98Å; L75-F125 HydrophobicContact CD2-CE1 3.48Å; L75-F125 VanDerWaalsContact CD2-CE1 3.48Å; L75-F125 HydrophobicContact CD2-CE2 3.87Å; L75-F125 HydrophobicContact CD2-CG 3.78Å; L75-F125 HydrophobicContact CD2-CZ 3.57Å |
| 76 | C | 92 | Very high | 81.9 | Confident | 18 Ų | 18 | 62.7 Ų | 62.7 | 12% | 0.122 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 115 | 171.5 | -175 | 0 | 0 | 0 | 0 | 108.3 | G88 V89 V123 D124 V126 | C76-G88 CarbonylContact C-O 3.44Å; C76-G88 WeakPolarHBondContact CA-O 3.41Å; C76-V89 HydrophobicContact CB-CG2 4.18Å; C76-V123 WeakPolarHBondContact O-CA 3.24Å; C76-D124 HydrophobicContact CB-CB 4.18Å; C76-D124 PolarHBondContact N-O 3.19Å; C76-D124 PolarHBondContact O-N 2.84Å; C76-V126 HydrophobicContact CB-CG2 4.02Å |
| 77 | L | 93.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 129.9 | 167.3 | -82.4 | 171.3 | 0 | 0 | 0 | 108.5 | V43 W45 A55 F57 W86 S87 G88 L105 M107 F121 S122 V123 | V43-L77 HydrophobicContact CG2-CD2 4.21Å; W45-L77 HydrophobicContact CH2-CD1 4.24Å; A55-L77 HydrophobicContact CB-CD1 3.48Å; A55-L77 VanDerWaalsContact CB-CD1 3.48Å; F57-L77 HydrophobicContact CD1-CD2 4.49Å; F57-L77 HydrophobicContact CE1-CD1 4.15Å; F57-L77 HydrophobicContact CE1-CD2 4.17Å; F57-L77 HydrophobicContact CE1-CG 4.42Å; L77-W86 HydrophobicContact CB-CH2 4.32Å; L77-W86 HydrophobicContact CB-CZ3 3.89Å; L77-S87 CarbonylContact O-C 3.57Å; L77-S87 VanDerWaalsContact O-CA 3.23Å; L77-S87 WeakPolarHBondContact O-CA 3.47Å; L77-G88 PolarHBondContact N-O 2.79Å; L77-G88 PolarHBondContact O-N 2.83Å; L77-L105 HydrophobicContact CD1-CD2 3.63Å; L77-L105 HydrophobicContact CG-CD2 3.73Å; L77-M107 HydrophobicContact CD1-SD 3.96Å; L77-F121 HydrophobicContact CD2-CB 4.39Å; L77-F121 HydrophobicContact CD2-CD1 4.34Å; L77-S122 WeakPolarHBondContact CA-O 3.43Å; L77-V123 HydrophobicContact CD2-CG2 3.44Å; L77-V123 VanDerWaalsContact CD2-CG2 3.44Å |
| 78 | K | 92.6 | Very high | 84.4 | Confident | 85 Ų | 85 | 61.3 Ų | 61.3 | 37% | 0.37 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 142 | 170.8 | -63.6 | 177.5 | 176.3 | 165.7 | 0 | 108.7 | W86 F121 S122 D124 | K78-W86 CarbonylContact C-O 3.5Å; K78-W86 VanDerWaalsContact CA-O 3.27Å; K78-W86 WeakPolarHBondContact CA-O 3.33Å; K78-F121 CarbonylContact O-C 3.51Å; K78-F121 WeakPolarHBondContact O-CA 3.4Å; K78-S122 PolarHBondContact N-O 3.38Å; K78-S122 PolarHBondContact O-N 3.04Å; K78-D124 WeakPolarHBondContact CD-OD2 3.18Å; K78-D124 WeakPolarHBondContact CE-OD2 3.29Å; K78-D124 IonicContact NZ-OD2 2.63Å; K78-D124 PolarHBondContact NZ-OD2 2.95Å |
| 79 | C | 91.2 | Very high | 85.3 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 3% | 0.027 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 130.6 | 174 | -174.4 | 0 | 0 | 0 | 0 | 108.4 | T85 W86 P114 F121 | C79-T85 WeakPolarHBondContact O-CA 3.49Å; C79-W86 HydrophobicContact CB-CB 4.42Å; C79-W86 HydrophobicContact CB-CE3 4.1Å; C79-W86 PolarHBondContact N-O 2.81Å; C79-W86 PolarHBondContact O-N 3.26Å; C79-P114 HydrophobicContact CB-CG 4.26Å; C79-F121 HydrophobicContact CB-CD1 3.66Å; C79-F121 HydrophobicContact CB-CE1 3.5Å; C79-F121 VanDerWaalsContact CB-CE1 3.5Å; C79-F121 HydrophobicContact CB-CG 4.34Å; C79-F121 HydrophobicContact CB-CZ 4.03Å |
| 80 | T | 84.1 | Confident | 85.6 | Confident | 94 Ų | 94 | 54.5 Ų | 54.5 | 58% | 0.577 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 108.4 | 171.1 | -56.4 | 0 | 0 | 0 | 0 | 107.8 | Y84 T85 G120 | T80-Y84 WeakPolarHBondContact CA-O 3.34Å; T80-T85 HydrophobicContact CG2-CG2 3.91Å; T80-G120 PolarHBondContact N-O 3.04Å |
| 81 | F | 75.9 | Confident | 86 | Confident | 124 Ų | 124 | 52.1 Ų | 52.1 | 54% | 0.544 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 130 | -178.7 | -175.8 | -98.7 | 0 | 0 | 0 | 111 | G83 Y84 | F81-G83 PolarHBondContact O-N 3.35Å; F81-Y84 PolarHBondContact N-O 2.9Å; F81-Y84 WeakPolarHBondContact O-CA 3.34Å; F81-Y84 WeakPolarHBondContact O-CB 3.32Å; F81-Y84 PolarHBondContact O-N 2.92Å |
| 82 | A | 72.8 | Confident | 86.4 | Confident | 97 Ų | 97 | 48.4 Ų | 48.4 | 80% | 0.802 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 34.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y84 | A82-Y84 VanDerWaalsContact C-N 3.28Å; A82-Y84 PolarHBondContact O-N 3.36Å |
| 83 | G | 73.1 | Confident | 86.7 | Confident | 78 Ų | 78 | 51.4 Ų | 51.4 | 80% | 0.804 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | -8.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | F81 | F81-G83 PolarHBondContact O-N 3.35Š|
| 84 | Y | 76.2 | Confident | 86.8 | Confident | 143 Ų | 143 | 52.3 Ų | 52.3 | 56% | 0.561 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 132.6 | 169.6 | -175.8 | -109.7 | 0 | 0 | 0 | 110.2 | T80 F81 A82 W86 | T80-Y84 WeakPolarHBondContact CA-O 3.34Å; F81-Y84 PolarHBondContact N-O 2.9Å; F81-Y84 WeakPolarHBondContact O-CA 3.34Å; F81-Y84 WeakPolarHBondContact O-CB 3.32Å; F81-Y84 PolarHBondContact O-N 2.92Å; A82-Y84 VanDerWaalsContact C-N 3.28Å; A82-Y84 PolarHBondContact O-N 3.36Å; Y84-W86 HydrophobicContact CD1-CB 4.3Å; Y84-W86 HydrophobicContact CE1-CB 3.65Å; Y84-W86 HydrophobicContact CE1-CG 4.46Å |
| 85 | T | 85.7 | Confident | 86.7 | Confident | 100 Ų | 100 | 53 Ų | 53 | 61% | 0.613 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 125.6 | 173.3 | 50 | 0 | 0 | 0 | 0 | 109 | C79 T80 | C79-T85 WeakPolarHBondContact O-CA 3.49Å; T80-T85 HydrophobicContact CG2-CG2 3.91Å |
| 86 | W | 91.2 | Very high | 86.3 | Confident | 16 Ų | 16 | 54.4 Ų | 54.4 | 6% | 0.061 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 146.3 | 175.8 | 175.3 | 85.6 | 0 | 0 | 0 | 109.7 | W45 L77 K78 C79 Y84 M107 T111 G112 V113 P114 F121 | W45-W86 HydrophobicContact CH2-CH2 4.21Å; L77-W86 HydrophobicContact CB-CH2 4.32Å; L77-W86 HydrophobicContact CB-CZ3 3.89Å; K78-W86 CarbonylContact C-O 3.5Å; K78-W86 VanDerWaalsContact CA-O 3.27Å; K78-W86 WeakPolarHBondContact CA-O 3.33Å; C79-W86 HydrophobicContact CB-CB 4.42Å; C79-W86 HydrophobicContact CB-CE3 4.1Å; C79-W86 PolarHBondContact N-O 2.81Å; C79-W86 PolarHBondContact O-N 3.26Å; Y84-W86 HydrophobicContact CD1-CB 4.3Å; Y84-W86 HydrophobicContact CE1-CB 3.65Å; Y84-W86 HydrophobicContact CE1-CG 4.46Å; W86-M107 HydrophobicContact CH2-CE 3.55Å; W86-M107 HydrophobicContact CZ2-CE 4.03Å; W86-T111 PolarHBondContact NE1-O 2.94Å; W86-G112 PolarHBondContact NE1-O 3.14Å; W86-V113 HydrophobicContact CH2-CG1 4.18Å; W86-V113 HydrophobicContact CZ2-CB 4.16Å; W86-V113 HydrophobicContact CZ2-CG1 3.77Å; W86-P114 HydrophobicContact CB-CG 4.45Å; W86-P114 HydrophobicContact CD2-CG 3.96Å; W86-P114 HydrophobicContact CE3-CG 3.86Å; W86-P114 HydrophobicContact CG-CG 4.21Å; W86-P114 HydrophobicContact CZ3-CG 4.43Å; W86-F121 HydrophobicContact CE3-CE1 4.27Å; W86-F121 HydrophobicContact CZ3-CE1 4.06Å |
| 87 | S | 91.9 | Very high | 85.5 | Confident | 76 Ų | 76 | 57.6 Ų | 57.6 | 53% | 0.531 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 143.7 | 169.1 | 69.6 | 0 | 0 | 0 | 0 | 110.8 | L77 | L77-S87 CarbonylContact O-C 3.57Å; L77-S87 VanDerWaalsContact O-CA 3.23Å; L77-S87 WeakPolarHBondContact O-CA 3.47Å |
| 88 | G | 91.4 | Very high | 84.1 | Confident | 5 Ų | 5 | 61.8 Ų | 61.8 | 5% | 0.052 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 139.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | C76 L77 M107 | C76-G88 CarbonylContact C-O 3.44Å; C76-G88 WeakPolarHBondContact CA-O 3.41Å; L77-G88 PolarHBondContact N-O 2.79Å; L77-G88 PolarHBondContact O-N 2.83Å; G88-M107 VanDerWaalsContact C-CE 3.42Å; G88-M107 WeakPolarHBondContact O-CE 3.37Å |
| 89 | V | 90.8 | Very high | 83.1 | Confident | 40 Ų | 40 | 65.7 Ų | 65.7 | 24% | 0.242 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 129.5 | 173.8 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | E74 L75 C76 K108 V126 | E74-V89 HydrophobicContact CB-CG1 3.96Å; E74-V89 HydrophobicContact CG-CG1 4.05Å; L75-V89 WeakPolarHBondContact O-CA 3.09Å; C76-V89 HydrophobicContact CB-CG2 4.18Å; V89-K108 WeakPolarHBondContact O-CG 3.47Å; V89-V126 HydrophobicContact CG1-CG2 4.2Å; V89-V126 HydrophobicContact CG2-CG2 4.34Å |
| 90 | G | 90 | Very high | 82.4 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 173.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E74 L75 L105 E106 | E74-G90 VanDerWaalsContact CA-O 3.3Å; E74-G90 WeakPolarHBondContact CA-O 3.32Å; L75-G90 PolarHBondContact N-O 3.33Å; L75-G90 VanDerWaalsContact N-O 3.1Å; L75-G90 PolarHBondContact O-N 3.44Å; G90-L105 VanDerWaalsContact C-CD1 3.47Å; G90-E106 CarbonylContact C-O 3.57Å; G90-E106 WeakPolarHBondContact CA-O 3.32Å |
| 91 | H | 88.6 | Confident | 82.3 | Confident | 47 Ų | 47 | 65.6 Ų | 65.6 | 22% | 0.218 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 136 | 175.3 | -63.3 | 84.8 | 0 | 0 | 0 | 110.6 | D73 E74 I93 E106 | D73-H91 CarbonylContact O-C 3.54Å; D73-H91 WeakPolarHBondContact O-CA 3.32Å; E74-H91 IonicContact OE1-CD2 3.61Å; E74-H91 IonicContact OE1-CE1 3.92Å; E74-H91 IonicContact OE1-NE2 3.45Å; E74-H91 PolarHBondContact OE1-NE2 3.44Å; H91-I93 PolarHBondContact O-N 3.34Å; H91-E106 PolarHBondContact N-O 3.07Å; H91-E106 PolarHBondContact O-N 3.49Å |
| 92 | V | 89.7 | Confident | 83 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.012 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 118.6 | 178.8 | 178.4 | 0 | 0 | 0 | 0 | 109 | L69 Q71 G72 D73 L75 K94 I95 V103 L105 | L69-V92 HydrophobicContact CD1-CG2 3.92Å; L69-V92 HydrophobicContact CD2-CG1 3.88Å; L69-V92 HydrophobicContact CD2-CG2 3.96Å; L69-V92 HydrophobicContact CG-CG1 4.16Å; L69-V92 HydrophobicContact CG-CG2 4.08Å; Q71-V92 CarbonylContact C-O 3.4Å; Q71-V92 WeakPolarHBondContact CA-O 3.45Å; G72-V92 PolarHBondContact N-O 3.29Å; D73-V92 HydrophobicContact CB-CG2 4.32Å; D73-V92 WeakPolarHBondContact O-CG2 3.44Å; D73-V92 PolarHBondContact O-N 3.04Å; L75-V92 HydrophobicContact CD1-CG2 3.76Å; L75-V92 HydrophobicContact CG-CG2 3.9Å; V92-K94 WeakPolarHBondContact CG1-O 3.43Å; V92-I95 HydrophobicContact CG1-CG2 3.6Å; V92-V103 HydrophobicContact CG1-CG1 4.35Å; V92-L105 HydrophobicContact CG2-CD1 3.95Å |
| 93 | I | 86.3 | Confident | 84 | Confident | 73 Ų | 73 | 56.5 Ų | 56.5 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -22 | 176 | 58.6 | 163.9 | 0 | 0 | 0 | 112 | V54 Q71 H91 G104 E106 | V54-I93 HydrophobicContact CG1-CD1 3.82Å; V54-I93 HydrophobicContact CG2-CD1 4.22Å; Q71-I93 PolarHBondContact NE2-O 2.99Å; H91-I93 PolarHBondContact O-N 3.34Å; I93-G104 WeakPolarHBondContact CG1-O 3.48Å; I93-G104 PolarHBondContact N-O 3.3Å; I93-E106 HydrophobicContact CD1-CB 4.27Å; I93-E106 HydrophobicContact CG1-CB 4.42Å; I93-E106 HydrophobicContact CG2-CB 3.72Å |
| 94 | K | 86.6 | Confident | 84.9 | Confident | 64 Ų | 64 | 52.8 Ų | 52.8 | 28% | 0.278 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 131.8 | 175.9 | -178.2 | -177.2 | 175.9 | -167.9 | 0 | 109.3 | F56 V92 S100 T102 V103 G104 | F56-K94 HydrophobicContact CE1-CD 4.34Å; V92-K94 WeakPolarHBondContact CG1-O 3.43Å; K94-S100 PolarHBondContact NZ-OG 3.45Å; K94-T102 PolarHBondContact NZ-OG1 3.06Å; K94-V103 WeakPolarHBondContact O-CA 3.39Å; K94-G104 PolarHBondContact N-O 3.29Å; K94-G104 PolarHBondContact O-N 3.24Å |
| 95 | I | 86.4 | Confident | 85.7 | Confident | 48 Ų | 48 | 46 Ų | 46 | 25% | 0.246 | 26% | 0.257 | C | S | . | . | trans | -108.1 | 156.5 | 172.7 | 56.6 | 174.3 | 0 | 0 | 0 | 109.2 | L69 Q71 V92 D97 | L69-I95 HydrophobicContact CB-CG2 4.37Å; L69-I95 HydrophobicContact CD2-CG2 4.18Å; L69-I95 HydrophobicContact CG-CG2 4.13Å; Q71-I95 HydrophobicContact CG-CG2 4.25Å; V92-I95 HydrophobicContact CG1-CG2 3.6Å; I95-D97 PolarHBondContact O-N 2.94Å | ||
| 96 | P | 81.8 | Confident | 85.9 | Confident | 28 Ų | 28 | 43.1 Ų | 43.1 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | trans | -55.4 | 136.6 | 170.3 | -27.5 | 37.8 | 0 | 0 | 0 | 111.1 | V62 S100 V103 | V62-P96 HydrophobicContact CB-CG 4.41Å; V62-P96 HydrophobicContact CG1-CB 4.43Å; V62-P96 HydrophobicContact CG1-CG 3.78Å; P96-S100 CarbonylContact C-O 3.57Å; P96-S100 VanDerWaalsContact CA-O 3.24Å; P96-S100 WeakPolarHBondContact CA-O 3.4Å; P96-V103 HydrophobicContact CG-CG2 3.95Å | ||
| 97 | D | 75.5 | Confident | 85.9 | Confident | 85 Ų | 85 | 42.4 Ų | 42.4 | 46% | 0.455 | 23% | 0.234 | S | C | . | . | trans | -136 | -176.5 | 178.5 | 64.2 | 27.7 | 0 | 0 | 0 | 110.5 | I95 H99 S100 | I95-D97 PolarHBondContact O-N 2.94Å; D97-H99 PolarHBondContact O-N 3.16Å; D97-H99 VanDerWaalsContact O-N 3.1Å; D97-H99 WeakPolarHBondContact OD1-CA 3.28Å; D97-H99 WeakPolarHBondContact OD1-CB 3.34Å; D97-H99 PolarHBondContact OD1-N 2.92Å; D97-S100 PolarHBondContact N-O 3.28Å; D97-S100 PolarHBondContact O-N 2.88Å; D97-S100 PolarHBondContact OD1-N 3.43Å | ||
| 98 | S | 64.9 | Low | 85.4 | Confident | 88 Ų | 88 | 43.4 Ų | 43.4 | 62% | 0.615 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -64.1 | -12.8 | -179.9 | -56.5 | 0 | 0 | 0 | 0 | 114 | ||
| 99 | H | 70.3 | Confident | 84.6 | Confident | 168 Ų | 168 | 46.4 Ų | 46.4 | 78% | 0.778 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -106.3 | -22.7 | -178.8 | -63.2 | -62.3 | 0 | 0 | 0 | 113.2 | D97 | D97-H99 PolarHBondContact O-N 3.16Å; D97-H99 VanDerWaalsContact O-N 3.1Å; D97-H99 WeakPolarHBondContact OD1-CA 3.28Å; D97-H99 WeakPolarHBondContact OD1-CB 3.34Å; D97-H99 PolarHBondContact OD1-N 2.92Å |
| 100 | S | 77.7 | Confident | 83.6 | Confident | 30 Ų | 30 | 48.2 Ų | 48.2 | 21% | 0.21 | 27% | 0.27 | C | S | . | . | trans | -151.5 | 130 | -172 | -173.2 | 0 | 0 | 0 | 0 | 111.5 | K94 P96 D97 T102 | K94-S100 PolarHBondContact NZ-OG 3.45Å; P96-S100 CarbonylContact C-O 3.57Å; P96-S100 VanDerWaalsContact CA-O 3.24Å; P96-S100 WeakPolarHBondContact CA-O 3.4Å; D97-S100 PolarHBondContact N-O 3.28Å; D97-S100 PolarHBondContact O-N 2.88Å; D97-S100 PolarHBondContact OD1-N 3.43Å; S100-T102 VanDerWaalsContact C-N 3.29Å; S100-T102 PolarHBondContact O-N 3.41Å; S100-T102 PolarHBondContact OG-OG1 2.82Å | ||
| 101 | D | 82.3 | Confident | 82.7 | Confident | 65 Ų | 65 | 50.2 Ų | 50.2 | 35% | 0.348 | 28% | 0.283 | S | S | . | . | trans | -88.5 | 6.8 | 177.2 | 63.3 | -7.9 | 0 | 0 | 0 | 113.7 | K58 T63 | K58-D101 WeakPolarHBondContact CD-OD2 3.45Å; K58-D101 VanDerWaalsContact CE-CG 3.44Å; K58-D101 WeakPolarHBondContact CE-OD1 3.36Å; K58-D101 WeakPolarHBondContact CE-OD2 3.31Å; K58-D101 VanDerWaalsContact NZ-CG 3.33Å; K58-D101 IonicContact NZ-OD1 3.85Å; K58-D101 PolarHBondContact NZ-OD1 2.56Å; K58-D101 IonicContact NZ-OD2 3.9Å; K58-D101 PolarHBondContact NZ-OD2 2.62Å; T63-D101 HydrophobicContact CG2-CB 3.92Å | ||
| 102 | T | 90.7 | Very high | 82.4 | Confident | 30 Ų | 30 | 50.7 Ų | 50.7 | 18% | 0.184 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 134.9 | -175 | 64.8 | 0 | 0 | 0 | 0 | 111.9 | F57 K58 K94 S100 | F57-T102 CarbonylContact O-C 3.24Å; F57-T102 WeakPolarHBondContact O-CA 3.33Å; K58-T102 HydrophobicContact CG-CG2 4.45Å; K94-T102 PolarHBondContact NZ-OG1 3.06Å; S100-T102 VanDerWaalsContact C-N 3.29Å; S100-T102 PolarHBondContact O-N 3.41Å; S100-T102 PolarHBondContact OG-OG1 2.82Å |
| 103 | V | 92 | Very high | 82.2 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 137.2 | 161.9 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | F56 F57 L59 L69 L75 V92 K94 P96 | F56-V103 VanDerWaalsContact CA-O 3.29Å; F56-V103 WeakPolarHBondContact CA-O 3.38Å; F57-V103 HydrophobicContact CD2-CB 4.23Å; F57-V103 HydrophobicContact CE2-CB 3.96Å; F57-V103 HydrophobicContact CE2-CG1 4.01Å; F57-V103 HydrophobicContact CE2-CG2 4.43Å; F57-V103 HydrophobicContact CZ-CB 4.25Å; F57-V103 HydrophobicContact CZ-CG1 3.89Å; F57-V103 PolarHBondContact N-O 2.9Å; F57-V103 PolarHBondContact O-N 3.12Å; L59-V103 HydrophobicContact CB-CG2 4.23Å; L59-V103 HydrophobicContact CD1-CG2 3.91Å; L59-V103 HydrophobicContact CG-CG2 3.92Å; L69-V103 HydrophobicContact CD2-CB 4.36Å; L69-V103 HydrophobicContact CD2-CG1 3.67Å; L69-V103 HydrophobicContact CD2-CG2 3.71Å; L75-V103 HydrophobicContact CD1-CG1 4.31Å; V92-V103 HydrophobicContact CG1-CG1 4.35Å; K94-V103 WeakPolarHBondContact O-CA 3.39Å; P96-V103 HydrophobicContact CG-CG2 3.95Å |
| 104 | G | 92.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 122.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | A55 I93 K94 | A55-G104 WeakPolarHBondContact O-CA 3.45Å; I93-G104 WeakPolarHBondContact CG1-O 3.48Å; I93-G104 PolarHBondContact N-O 3.3Å; K94-G104 PolarHBondContact N-O 3.29Å; K94-G104 PolarHBondContact O-N 3.24Å |
| 105 | L | 92.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 113.3 | -177.4 | -171.1 | 74.5 | 0 | 0 | 0 | 110.1 | V54 A55 F57 L75 L77 G90 V92 M107 | V54-L105 CarbonylContact C-O 3.55Å; V54-L105 WeakPolarHBondContact CA-O 3.49Å; A55-L105 HydrophobicContact CB-CB 4.36Å; A55-L105 PolarHBondContact N-O 3.34Å; A55-L105 PolarHBondContact O-N 3Å; F57-L105 HydrophobicContact CE1-CB 3.7Å; F57-L105 HydrophobicContact CE1-CD2 4.11Å; F57-L105 HydrophobicContact CZ-CB 4.15Å; F57-L105 HydrophobicContact CZ-CD2 4.27Å; L75-L105 HydrophobicContact CB-CD1 3.73Å; L75-L105 HydrophobicContact CB-CD2 4.01Å; L75-L105 HydrophobicContact CD1-CD1 4.13Å; L75-L105 HydrophobicContact CG-CD1 4.08Å; L77-L105 HydrophobicContact CD1-CD2 3.63Å; L77-L105 HydrophobicContact CG-CD2 3.73Å; G90-L105 VanDerWaalsContact C-CD1 3.47Å; V92-L105 HydrophobicContact CG2-CD1 3.95Å; L105-M107 HydrophobicContact CD2-SD 3.8Å; L105-M107 HydrophobicContact CG-SD 4.18Å |
| 106 | E | 90.1 | Very high | 82.3 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 19% | 0.187 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 118.1 | 174.3 | -175.8 | -178 | 94.1 | 0 | 0 | 110 | K52 G90 H91 I93 | K52-E106 HydrophobicContact CB-CG 3.98Å; K52-E106 HydrophobicContact CD-CG 3.7Å; K52-E106 WeakPolarHBondContact CD-OE1 3.49Å; K52-E106 IonicContact NZ-OE1 2.89Å; K52-E106 PolarHBondContact NZ-OE1 3.31Å; G90-E106 CarbonylContact C-O 3.57Å; G90-E106 WeakPolarHBondContact CA-O 3.32Å; H91-E106 PolarHBondContact N-O 3.07Å; H91-E106 PolarHBondContact O-N 3.49Å; I93-E106 HydrophobicContact CD1-CB 4.27Å; I93-E106 HydrophobicContact CG1-CB 4.42Å; I93-E106 HydrophobicContact CG2-CB 3.72Å |
| 107 | M | 90.8 | Very high | 82.6 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 150.1 | 179.7 | -57.5 | -54.5 | -59.8 | 0 | 0 | 111.5 | W45 H53 L77 W86 G88 L105 V113 | W45-M107 HydrophobicContact CH2-CG 4.18Å; W45-M107 HydrophobicContact CZ3-CG 3.74Å; H53-M107 WeakPolarHBondContact O-CB 3.5Å; H53-M107 PolarHBondContact O-N 2.67Å; L77-M107 HydrophobicContact CD1-SD 3.96Å; W86-M107 HydrophobicContact CH2-CE 3.55Å; W86-M107 HydrophobicContact CZ2-CE 4.03Å; G88-M107 VanDerWaalsContact C-CE 3.42Å; G88-M107 WeakPolarHBondContact O-CE 3.37Å; L105-M107 HydrophobicContact CD2-SD 3.8Å; L105-M107 HydrophobicContact CG-SD 4.18Å; M107-V113 HydrophobicContact CB-CG1 4.09Å; M107-V113 HydrophobicContact CG-CG1 4.07Å |
| 108 | K | 82.1 | Confident | 83.3 | Confident | 96 Ų | 96 | 51.2 Ų | 51.2 | 42% | 0.417 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 147.5 | 169.9 | -70.3 | 176.9 | -178.6 | 174 | 0 | 110.2 | V89 T111 | V89-K108 WeakPolarHBondContact O-CG 3.47Å; K108-T111 HydrophobicContact CB-CG2 3.96Å; K108-T111 VanDerWaalsContact O-CG2 3.28Å; K108-T111 WeakPolarHBondContact O-CG2 3.45Å; K108-T111 PolarHBondContact O-OG1 2.8Å; K108-T111 VanDerWaalsContact O-OG1 3.13Å |
| 109 | I | 73.7 | Confident | 84.5 | Confident | 68 Ų | 68 | 52.6 Ų | 52.6 | 35% | 0.349 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | 150 | 177.7 | -58.2 | 168 | 0 | 0 | 0 | 109.4 | K52 T111 E298 | K52-I109 HydrophobicContact CD-CD1 4.35Å; K52-I109 HydrophobicContact CD-CG1 4.12Å; K52-I109 HydrophobicContact CG-CD1 3.88Å; K52-I109 HydrophobicContact CG-CG1 3.54Å; I109-T111 VanDerWaalsContact C-N 3.29Å; I109-T111 PolarHBondContact O-N 2.81Å; I109-E298 WeakPolarHBondContact CB-OE1 3.39Å; I109-E298 HydrophobicContact CD1-CG 3.48Å; I109-E298 VanDerWaalsContact CD1-CG 3.48Å; I109-E298 WeakPolarHBondContact CD1-OE1 3.25Å; I109-E298 WeakPolarHBondContact CG2-OE1 3.36Å |
| 110 | G | 70.7 | Confident | 85.3 | Confident | 79 Ų | 79 | 46.1 Ų | 46.1 | 81% | 0.814 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 9.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G112 | G110-G112 VanDerWaalsContact C-N 3.27Å; G110-G112 PolarHBondContact O-N 2.96Å |
| 111 | T | 70.7 | Confident | 86.1 | Confident | 42 Ų | 42 | 44.8 Ų | 44.8 | 26% | 0.258 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -78.4 | -5.1 | 179.8 | 56.3 | 0 | 0 | 0 | 0 | 114.2 | W86 K108 I109 V113 | W86-T111 PolarHBondContact NE1-O 2.94Å; K108-T111 HydrophobicContact CB-CG2 3.96Å; K108-T111 VanDerWaalsContact O-CG2 3.28Å; K108-T111 WeakPolarHBondContact O-CG2 3.45Å; K108-T111 PolarHBondContact O-OG1 2.8Å; K108-T111 VanDerWaalsContact O-OG1 3.13Å; I109-T111 VanDerWaalsContact C-N 3.29Å; I109-T111 PolarHBondContact O-N 2.81Å; T111-V113 WeakPolarHBondContact OG1-CG1 3.4Å |
| 112 | G | 81.8 | Confident | 86.6 | Confident | 57 Ų | 57 | 42.7 Ų | 42.7 | 59% | 0.588 | 27% | 0.271 | S | S | * | . | trans | 57.2 | 53.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | W86 G110 | W86-G112 PolarHBondContact NE1-O 3.14Å; G110-G112 VanDerWaalsContact C-N 3.27Å; G110-G112 PolarHBondContact O-N 2.96Å | ||
| 113 | V | 87 | Confident | 86.6 | Confident | 17 Ų | 17 | 41.2 Ų | 41.2 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | trans | -63.5 | 138.4 | -173 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | W45 H53 W86 M107 T111 S115 | W45-V113 HydrophobicContact CH2-CB 4.01Å; W45-V113 HydrophobicContact CH2-CG1 4.23Å; W45-V113 HydrophobicContact CZ2-CB 4.49Å; W45-V113 HydrophobicContact CZ3-CB 4.17Å; W45-V113 HydrophobicContact CZ3-CG1 4.24Å; W45-V113 HydrophobicContact CZ3-CG2 4.4Å; H53-V113 HydrophobicContact CB-CG1 4.23Å; H53-V113 HydrophobicContact CB-CG2 3.72Å; H53-V113 WeakPolarHBondContact CD2-CG2 3.47Å; W86-V113 HydrophobicContact CH2-CG1 4.18Å; W86-V113 HydrophobicContact CZ2-CB 4.16Å; W86-V113 HydrophobicContact CZ2-CG1 3.77Å; M107-V113 HydrophobicContact CB-CG1 4.09Å; M107-V113 HydrophobicContact CG-CG1 4.07Å; T111-V113 WeakPolarHBondContact OG1-CG1 3.4Å; V113-S115 PolarHBondContact O-N 3.41Å | ||
| 114 | P | 87.8 | Confident | 86.5 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 8% | 0.084 | 27% | 0.269 | C | S | . | . | trans | -77.3 | 69.1 | 174.3 | 31.8 | -35 | 0 | 0 | 0 | 110.3 | W45 C79 W86 D116 V117 F121 | W45-P114 PolarHBondContact NE1-O 2.81Å; C79-P114 HydrophobicContact CB-CG 4.26Å; W86-P114 HydrophobicContact CB-CG 4.45Å; W86-P114 HydrophobicContact CD2-CG 3.96Å; W86-P114 HydrophobicContact CE3-CG 3.86Å; W86-P114 HydrophobicContact CG-CG 4.21Å; W86-P114 HydrophobicContact CZ3-CG 4.43Å; P114-D116 PolarHBondContact O-N 2.93Å; P114-V117 HydrophobicContact CB-CB 4.38Å; P114-V117 HydrophobicContact CB-CG2 4.31Å; P114-V117 PolarHBondContact O-N 2.84Å; P114-V117 VanDerWaalsContact O-N 3.1Å; P114-F121 HydrophobicContact CG-CE1 4.05Å; P114-F121 HydrophobicContact CG-CZ 3.97Å | ||
| 115 | S | 85.6 | Confident | 86.2 | Confident | 60 Ų | 60 | 43.6 Ų | 43.6 | 42% | 0.42 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -14.8 | -173.8 | 56.3 | 0 | 0 | 0 | 0 | 114.8 | V113 | V113-S115 PolarHBondContact O-N 3.41Š|
| 116 | D | 87.6 | Confident | 85.9 | Confident | 139 Ų | 139 | 45.7 Ų | 45.7 | 74% | 0.743 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -16.4 | 174.9 | 58.9 | -46.5 | 0 | 0 | 0 | 113.1 | P114 | P114-D116 PolarHBondContact O-N 2.93Š|
| 117 | V | 88.3 | Confident | 85.8 | Confident | 22 Ų | 22 | 46.4 Ų | 46.4 | 13% | 0.133 | 29% | 0.287 | C | S | . | . | trans | -102.6 | 134.5 | 179.7 | -175.1 | 0 | 0 | 0 | 0 | 110.3 | W45 P114 H119 F121 | W45-V117 PolarHBondContact NE1-O 3.3Å; P114-V117 HydrophobicContact CB-CB 4.38Å; P114-V117 HydrophobicContact CB-CG2 4.31Å; P114-V117 PolarHBondContact O-N 2.84Å; P114-V117 VanDerWaalsContact O-N 3.1Å; V117-H119 VanDerWaalsContact CG1-O 3.27Å; V117-H119 WeakPolarHBondContact CG1-O 3.42Å; V117-F121 HydrophobicContact CB-CE2 4.41Å; V117-F121 HydrophobicContact CB-CZ 4.49Å; V117-F121 HydrophobicContact CG1-CE2 4.12Å; V117-F121 VanDerWaalsContact O-CE2 3.31Å; V117-F121 WeakPolarHBondContact O-CE2 2.99Å | ||
| 118 | T | 90.5 | Very high | 85.5 | Confident | 60 Ų | 60 | 50.2 Ų | 50.2 | 37% | 0.368 | 30% | 0.304 | S | S | . | . | trans | -115.1 | -11.7 | -179.6 | 52.5 | 0 | 0 | 0 | 0 | 113.9 | T42 V43 | T42-T118 CarbonylContact C-O 3.59Å; T42-T118 VanDerWaalsContact CA-O 3.3Å; T42-T118 WeakPolarHBondContact CA-O 3.41Å; T42-T118 WeakPolarHBondContact CG2-O 3.21Å; V43-T118 PolarHBondContact N-O 3.36Å; V43-T118 WeakPolarHBondContact O-CA 3.15Å; V43-T118 WeakPolarHBondContact O-CB 3.31Å; V43-T118 WeakPolarHBondContact O-CG2 3.21Å | ||
| 119 | H | 89.8 | Confident | 85.9 | Confident | 116 Ų | 116 | 47.4 Ų | 47.4 | 54% | 0.537 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -125 | 168.4 | -175.2 | -60.8 | 81.5 | 0 | 0 | 0 | 111.6 | V117 F121 | V117-H119 VanDerWaalsContact CG1-O 3.27Å; V117-H119 WeakPolarHBondContact CG1-O 3.42Å; H119-F121 VanDerWaalsContact C-N 3.32Å |
| 120 | G | 87.4 | Confident | 86.9 | Confident | 33 Ų | 33 | 47.2 Ų | 47.2 | 34% | 0.34 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 76.3 | 19.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T80 | T80-G120 PolarHBondContact N-O 3.04Š|
| 121 | F | 93.7 | Very high | 88 | Confident | 1 Ų | 1 | 46 Ų | 46 | 0% | 0.004 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 147.8 | 174.1 | -66.7 | -93.9 | 0 | 0 | 0 | 111.8 | N40 V41 V43 W45 L77 K78 C79 W86 P114 V117 H119 | N40-F121 PolarHBondContact N-O 3.5Å; N40-F121 VanDerWaalsContact N-O 3.13Å; V41-F121 HydrophobicContact CB-CB 4.26Å; V41-F121 PolarHBondContact N-O 2.96Å; V41-F121 WeakPolarHBondContact O-CB 3.31Å; V43-F121 HydrophobicContact CB-CD2 3.92Å; V43-F121 HydrophobicContact CB-CE2 4.05Å; V43-F121 HydrophobicContact CB-CG 4.34Å; V43-F121 HydrophobicContact CG2-CB 3.84Å; V43-F121 HydrophobicContact CG2-CD1 4.11Å; V43-F121 HydrophobicContact CG2-CD2 3.63Å; V43-F121 HydrophobicContact CG2-CE2 4.2Å; V43-F121 HydrophobicContact CG2-CG 3.58Å; W45-F121 AromaticContact CZ2-CE1 3.74Å; W45-F121 HydrophobicContact CZ2-CE1 3.74Å; W45-F121 AromaticContact CZ2-CZ 3.76Å; W45-F121 HydrophobicContact CZ2-CZ 3.76Å; W45-F121 AromaticContact NE1-CZ 3.79Å; L77-F121 HydrophobicContact CD2-CB 4.39Å; L77-F121 HydrophobicContact CD2-CD1 4.34Å; K78-F121 CarbonylContact O-C 3.51Å; K78-F121 WeakPolarHBondContact O-CA 3.4Å; C79-F121 HydrophobicContact CB-CD1 3.66Å; C79-F121 HydrophobicContact CB-CE1 3.5Å; C79-F121 VanDerWaalsContact CB-CE1 3.5Å; C79-F121 HydrophobicContact CB-CG 4.34Å; C79-F121 HydrophobicContact CB-CZ 4.03Å; W86-F121 HydrophobicContact CE3-CE1 4.27Å; W86-F121 HydrophobicContact CZ3-CE1 4.06Å; P114-F121 HydrophobicContact CG-CE1 4.05Å; P114-F121 HydrophobicContact CG-CZ 3.97Å; V117-F121 HydrophobicContact CB-CE2 4.41Å; V117-F121 HydrophobicContact CB-CZ 4.49Å; V117-F121 HydrophobicContact CG1-CE2 4.12Å; V117-F121 VanDerWaalsContact O-CE2 3.31Å; V117-F121 WeakPolarHBondContact O-CE2 2.99Å; H119-F121 VanDerWaalsContact C-N 3.32Å |
| 122 | S | 92.2 | Very high | 89.2 | Confident | 21 Ų | 21 | 45 Ų | 45 | 15% | 0.147 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 152.4 | 160.9 | 63.1 | 0 | 0 | 0 | 0 | 110.1 | Q38 D39 L77 K78 | Q38-S122 CarbonylContact O-C 3.4Å; Q38-S122 VanDerWaalsContact O-CA 3.23Å; Q38-S122 WeakPolarHBondContact O-CA 3.36Å; Q38-S122 WeakPolarHBondContact O-CB 3.4Å; D39-S122 WeakPolarHBondContact OD1-CB 3.26Å; L77-S122 WeakPolarHBondContact CA-O 3.43Å; K78-S122 PolarHBondContact N-O 3.38Å; K78-S122 PolarHBondContact O-N 3.04Å |
| 123 | V | 92.3 | Very high | 90 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 120.1 | -179.5 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | T37 Q38 V41 F57 L59 L75 C76 L77 | T37-V123 WeakPolarHBondContact CA-O 3.45Å; Q38-V123 PolarHBondContact N-O 3.5Å; Q38-V123 PolarHBondContact O-N 3.37Å; V41-V123 HydrophobicContact CB-CG2 4.28Å; V41-V123 HydrophobicContact CG1-CG2 4.12Å; V41-V123 HydrophobicContact CG2-CG2 3.86Å; F57-V123 HydrophobicContact CD2-CG2 3.96Å; F57-V123 HydrophobicContact CE2-CB 4.44Å; F57-V123 HydrophobicContact CE2-CG1 4.13Å; F57-V123 HydrophobicContact CE2-CG2 3.56Å; F57-V123 HydrophobicContact CZ-CG1 4.31Å; F57-V123 HydrophobicContact CZ-CG2 3.9Å; L59-V123 HydrophobicContact CD2-CB 4.07Å; L59-V123 HydrophobicContact CD2-CG1 4.11Å; L59-V123 HydrophobicContact CD2-CG2 4.15Å; L75-V123 HydrophobicContact CB-CG1 4.09Å; L75-V123 HydrophobicContact CD1-CG1 3.98Å; L75-V123 HydrophobicContact CD2-CG1 4.34Å; L75-V123 HydrophobicContact CG-CG1 4.37Å; C76-V123 WeakPolarHBondContact O-CA 3.24Å; L77-V123 HydrophobicContact CD2-CG2 3.44Å; L77-V123 VanDerWaalsContact CD2-CG2 3.44Å |
| 124 | D | 89.4 | Confident | 90.6 | Very high | 26 Ų | 26 | 45.5 Ų | 45.5 | 14% | 0.139 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 142 | 172.8 | -67.6 | -32.8 | 0 | 0 | 0 | 110.9 | T37 L75 C76 K78 | T37-D124 VanDerWaalsContact CB-OD1 3.31Å; T37-D124 WeakPolarHBondContact CB-OD1 3.46Å; T37-D124 WeakPolarHBondContact CG2-OD1 3.5Å; T37-D124 PolarHBondContact OG1-OD1 2.71Å; L75-D124 WeakPolarHBondContact CA-O 3.42Å; C76-D124 HydrophobicContact CB-CB 4.18Å; C76-D124 PolarHBondContact N-O 3.19Å; C76-D124 PolarHBondContact O-N 2.84Å; K78-D124 WeakPolarHBondContact CD-OD2 3.18Å; K78-D124 WeakPolarHBondContact CE-OD2 3.29Å; K78-D124 IonicContact NZ-OD2 2.63Å; K78-D124 PolarHBondContact NZ-OD2 2.95Å |
| 125 | F | 86.4 | Confident | 91.1 | Very high | 23 Ų | 23 | 45.6 Ų | 45.6 | 10% | 0.101 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 128.4 | 174.6 | -80.1 | -105.1 | 0 | 0 | 0 | 110.5 | K33 Q36 L59 M67 L69 L75 W127 | K33-F125 HydrophobicContact CB-CB 4.23Å; Q36-F125 HydrophobicContact CB-CD2 3.92Å; Q36-F125 HydrophobicContact CB-CE2 4.44Å; Q36-F125 HydrophobicContact CB-CG 4.38Å; L59-F125 HydrophobicContact CD1-CE2 4.22Å; L59-F125 HydrophobicContact CD1-CZ 3.91Å; M67-F125 HydrophobicContact CE-CD2 4.48Å; M67-F125 HydrophobicContact CE-CE1 3.91Å; M67-F125 HydrophobicContact CE-CE2 3.38Å; M67-F125 HydrophobicContact CE-CZ 3.05Å; M67-F125 HydrophobicContact CG-CE1 4.46Å; M67-F125 HydrophobicContact CG-CZ 4.46Å; M67-F125 HydrophobicContact SD-CD1 4.28Å; M67-F125 HydrophobicContact SD-CD2 4.11Å; M67-F125 HydrophobicContact SD-CE1 3.65Å; M67-F125 HydrophobicContact SD-CE2 3.52Å; M67-F125 VanDerWaalsContact SD-CE2 3.52Å; M67-F125 HydrophobicContact SD-CZ 3.3Å; M67-F125 WeakPolarHBondContact SD-CZ 3.2Å; L69-F125 HydrophobicContact CD1-CE1 3.49Å; L69-F125 VanDerWaalsContact CD1-CE1 3.49Å; L69-F125 HydrophobicContact CD1-CZ 3.89Å; L75-F125 HydrophobicContact CD2-CB 4.49Å; L75-F125 HydrophobicContact CD2-CD1 3.56Å; L75-F125 HydrophobicContact CD2-CD2 3.98Å; L75-F125 HydrophobicContact CD2-CE1 3.48Å; L75-F125 VanDerWaalsContact CD2-CE1 3.48Å; L75-F125 HydrophobicContact CD2-CE2 3.87Å; L75-F125 HydrophobicContact CD2-CG 3.78Å; L75-F125 HydrophobicContact CD2-CZ 3.57Å; F125-W127 PolarHBondContact O-N 2.87Å |
| 126 | V | 85.4 | Confident | 91.7 | Very high | 44 Ų | 44 | 46.5 Ų | 46.5 | 27% | 0.267 | 25% | 0.249 | S | C | . | . | trans | -85.4 | 110 | 177.5 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | E74 C76 V89 | E74-V126 HydrophobicContact CB-CB 3.85Å; E74-V126 HydrophobicContact CB-CG1 4.38Å; E74-V126 HydrophobicContact CB-CG2 4.12Å; E74-V126 WeakPolarHBondContact O-CB 3.27Å; E74-V126 PolarHBondContact O-N 2.93Å; E74-V126 VanDerWaalsContact O-N 3.17Å; C76-V126 HydrophobicContact CB-CG2 4.02Å; V89-V126 HydrophobicContact CG1-CG2 4.2Å; V89-V126 HydrophobicContact CG2-CG2 4.34Å | ||
| 127 | W | 87.8 | Confident | 92.2 | Very high | 56 Ų | 56 | 44.6 Ų | 44.6 | 21% | 0.212 | 24% | 0.239 | C | C | . | . | trans | -74.1 | 137.8 | 172.2 | -178.8 | 78.7 | 0 | 0 | 0 | 111.3 | A26 D29 R30 K33 F125 S129 F132 | A26-W127 HydrophobicContact CB-CH2 4.39Å; A26-W127 HydrophobicContact CB-CZ2 4Å; A26-W127 WeakPolarHBondContact O-CZ2 3.31Å; D29-W127 PolarHBondContact OD2-NE1 3.12Å; R30-W127 VanDerWaalsContact CA-CD1 3.47Å; R30-W127 HydrophobicContact CB-CD2 3.63Å; R30-W127 HydrophobicContact CB-CE3 4.04Å; R30-W127 HydrophobicContact CB-CG 3.89Å; R30-W127 HydrophobicContact CB-CH2 4.45Å; R30-W127 HydrophobicContact CB-CZ2 4.11Å; R30-W127 HydrophobicContact CB-CZ3 4.42Å; R30-W127 HydrophobicContact CG-CB 4.14Å; R30-W127 HydrophobicContact CG-CD2 3.63Å; R30-W127 HydrophobicContact CG-CE3 3.69Å; R30-W127 HydrophobicContact CG-CG 3.83Å; R30-W127 HydrophobicContact CG-CZ3 4.28Å; K33-W127 HydrophobicContact CB-CB 4.4Å; K33-W127 HydrophobicContact CD-CB 4.43Å; F125-W127 PolarHBondContact O-N 2.87Å; W127-S129 VanDerWaalsContact CH2-CB 3.48Å; W127-F132 AromaticContact CZ2-CD2 3.76Å; W127-F132 HydrophobicContact CZ2-CD2 3.76Å; W127-F132 AromaticContact CZ2-CE2 3.93Å; W127-F132 HydrophobicContact CZ2-CE2 3.93Å; W127-F132 AromaticContact NE1-CE2 3.99Å | ||
| 128 | K | 85.3 | Confident | 92.6 | Very high | 81 Ų | 81 | 43.7 Ų | 43.7 | 35% | 0.352 | 23% | 0.234 | S | C | . | . | trans | -120.4 | 121.5 | 177.4 | -70.4 | -173.7 | 175.5 | -179.6 | 0 | 110.3 | E74 T130 | E74-K128 WeakPolarHBondContact OE1-CE 3.43Å; E74-K128 IonicContact OE1-NZ 3.73Å; E74-K128 PolarHBondContact OE1-NZ 3.48Å; E74-K128 WeakPolarHBondContact OE2-CE 3.45Å; E74-K128 IonicContact OE2-NZ 2.76Å; E74-K128 PolarHBondContact OE2-NZ 2.95Å; K128-T130 PolarHBondContact O-N 2.82Å | ||
| 129 | S | 91.6 | Very high | 93 | Very high | 37 Ų | 37 | 40.9 Ų | 40.9 | 26% | 0.259 | 22% | 0.217 | S | C | . | . | trans | -75.2 | -9.6 | 177.8 | 60.2 | 0 | 0 | 0 | 0 | 113.9 | W127 S131 F132 D133 | W127-S129 VanDerWaalsContact CH2-CB 3.48Å; S129-S131 VanDerWaalsContact C-N 3.3Å; S129-S131 PolarHBondContact O-N 3.46Å; S129-S131 VanDerWaalsContact O-N 3.09Å; S129-F132 WeakPolarHBondContact O-CA 3.37Å; S129-F132 WeakPolarHBondContact O-CB 3.28Å; S129-F132 PolarHBondContact O-N 3.43Å; S129-D133 WeakPolarHBondContact CB-OD1 3.38Å; S129-D133 VanDerWaalsContact CB-OD2 3.26Å; S129-D133 WeakPolarHBondContact CB-OD2 3.36Å; S129-D133 PolarHBondContact O-N 3.4Å; S129-D133 PolarHBondContact OG-OD2 2.77Å | ||
| 130 | T | 93.1 | Very high | 93.4 | Very high | 64 Ų | 64 | 36.8 Ų | 36.8 | 39% | 0.393 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -50.4 | -44.3 | -165.9 | -50.9 | 0 | 0 | 0 | 0 | 114 | K128 D133 R134 | K128-T130 PolarHBondContact O-N 2.82Å; T130-D133 PolarHBondContact O-N 3.14Å; T130-R134 WeakPolarHBondContact O-CB 3.39Å; T130-R134 VanDerWaalsContact O-CG 3.26Å; T130-R134 WeakPolarHBondContact O-CG 3.32Å; T130-R134 PolarHBondContact O-N 3.35Å |
| 131 | S | 93.9 | Very high | 93.9 | Very high | 55 Ų | 55 | 38.7 Ų | 38.7 | 39% | 0.385 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.6 | -45.1 | 179.7 | -55.9 | 0 | 0 | 0 | 0 | 112 | S129 R134 M135 | S129-S131 VanDerWaalsContact C-N 3.3Å; S129-S131 PolarHBondContact O-N 3.46Å; S129-S131 VanDerWaalsContact O-N 3.09Å; S131-R134 PolarHBondContact O-N 2.75Å; S131-M135 WeakPolarHBondContact O-CG 3.35Å; S131-M135 PolarHBondContact O-N 3.15Å; S131-M135 VanDerWaalsContact O-N 3.11Å |
| 132 | F | 97.4 | Very high | 94.1 | Very high | 21 Ų | 21 | 38.9 Ų | 38.9 | 9% | 0.092 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.4 | -40.3 | 178 | -55.6 | -73.4 | 0 | 0 | 0 | 112 | I22 E25 A26 D29 W127 S129 M135 R136 | I22-F132 HydrophobicContact CG2-CB 4.02Å; I22-F132 HydrophobicContact CG2-CD1 4.03Å; E25-F132 HydrophobicContact CB-CE1 4.16Å; E25-F132 HydrophobicContact CG-CE1 3.74Å; E25-F132 HydrophobicContact CG-CZ 4.3Å; A26-F132 HydrophobicContact CB-CB 3.96Å; A26-F132 HydrophobicContact CB-CD1 3.71Å; A26-F132 HydrophobicContact CB-CD2 3.76Å; A26-F132 HydrophobicContact CB-CE1 4.11Å; A26-F132 HydrophobicContact CB-CE2 4.14Å; A26-F132 HydrophobicContact CB-CG 3.52Å; A26-F132 HydrophobicContact CB-CZ 4.3Å; D29-F132 HydrophobicContact CB-CE2 4.24Å; D29-F132 HydrophobicContact CB-CZ 3.96Å; W127-F132 AromaticContact CZ2-CD2 3.76Å; W127-F132 HydrophobicContact CZ2-CD2 3.76Å; W127-F132 AromaticContact CZ2-CE2 3.93Å; W127-F132 HydrophobicContact CZ2-CE2 3.93Å; W127-F132 AromaticContact NE1-CE2 3.99Å; S129-F132 WeakPolarHBondContact O-CA 3.37Å; S129-F132 WeakPolarHBondContact O-CB 3.28Å; S129-F132 PolarHBondContact O-N 3.43Å; F132-M135 HydrophobicContact CB-CE 4.46Å; F132-M135 HydrophobicContact CD1-CE 3.59Å; F132-M135 HydrophobicContact CE1-CE 4.18Å; F132-M135 HydrophobicContact CG-CE 4.3Å; F132-M135 PolarHBondContact O-N 2.99Å; F132-R136 WeakPolarHBondContact O-CG 3.05Å; F132-R136 PolarHBondContact O-N 2.89Å |
| 133 | D | 98 | Very high | 94.4 | Very high | 44 Ų | 44 | 40.1 Ų | 40.1 | 24% | 0.235 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -43.5 | 177.2 | -58.5 | -20.2 | 0 | 0 | 0 | 110.9 | S129 T130 M135 R136 N137 | S129-D133 WeakPolarHBondContact CB-OD1 3.38Å; S129-D133 VanDerWaalsContact CB-OD2 3.26Å; S129-D133 WeakPolarHBondContact CB-OD2 3.36Å; S129-D133 PolarHBondContact O-N 3.4Å; S129-D133 PolarHBondContact OG-OD2 2.77Å; T130-D133 PolarHBondContact O-N 3.14Å; D133-M135 PolarHBondContact O-N 3.04Å; D133-R136 PolarHBondContact O-N 2.78Å; D133-R136 IonicContact OD1-CZ 3.42Å; D133-R136 IonicContact OD1-NH1 3.54Å; D133-R136 IonicContact OD1-NH2 2.61Å; D133-R136 PolarHBondContact OD1-NH2 3.13Å; D133-N137 VanDerWaalsContact O-CB 3.29Å; D133-N137 WeakPolarHBondContact O-CB 3.37Å; D133-N137 PolarHBondContact O-N 2.86Å; D133-N137 PolarHBondContact O-ND2 2.94Å; D133-N137 PolarHBondContact O-OD1 2.84Å |
| 134 | R | 98.1 | Very high | 94.5 | Very high | 40 Ų | 40 | 45.1 Ų | 45.1 | 15% | 0.151 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.9 | -39.7 | 177.1 | -72.8 | 177.9 | -176.8 | -173.5 | 1.6 | 112.2 | T130 S131 N137 A138 V330 G333 D334 V360 | T130-R134 WeakPolarHBondContact O-CB 3.39Å; T130-R134 VanDerWaalsContact O-CG 3.26Å; T130-R134 WeakPolarHBondContact O-CG 3.32Å; T130-R134 PolarHBondContact O-N 3.35Å; S131-R134 PolarHBondContact O-N 2.75Å; R134-N137 PolarHBondContact O-N 3.18Å; R134-A138 WeakPolarHBondContact O-CB 3.47Å; R134-A138 PolarHBondContact O-N 2.61Å; R134-V330 HydrophobicContact CB-CG1 4.34Å; R134-V330 WeakPolarHBondContact CD-O 3.47Å; R134-V330 PolarHBondContact NH1-O 3.46Å; R134-G333 PolarHBondContact NE-O 3.43Å; R134-D334 IonicContact NH2-OD2 3.27Å; R134-V360 HydrophobicContact CB-CG1 4.46Å; R134-V360 HydrophobicContact CB-CG2 4.49Å |
| 135 | M | 98.5 | Very high | 94.8 | Very high | 15 Ų | 15 | 46.3 Ų | 46.3 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.8 | -48.2 | 173.3 | -69.4 | -173.8 | -73.6 | 0 | 0 | 111.7 | I22 S131 F132 D133 N137 A138 L139 P356 E357 V360 | I22-M135 HydrophobicContact CD1-CB 3.99Å; I22-M135 HydrophobicContact CG2-CE 4.3Å; S131-M135 WeakPolarHBondContact O-CG 3.35Å; S131-M135 PolarHBondContact O-N 3.15Å; S131-M135 VanDerWaalsContact O-N 3.11Å; F132-M135 HydrophobicContact CB-CE 4.46Å; F132-M135 HydrophobicContact CD1-CE 3.59Å; F132-M135 HydrophobicContact CE1-CE 4.18Å; F132-M135 HydrophobicContact CG-CE 4.3Å; F132-M135 PolarHBondContact O-N 2.99Å; D133-M135 PolarHBondContact O-N 3.04Å; M135-N137 VanDerWaalsContact C-N 3.34Å; M135-N137 PolarHBondContact O-N 2.86Å; M135-A138 WeakPolarHBondContact O-CB 3.2Å; M135-A138 PolarHBondContact O-N 3.03Å; M135-A138 VanDerWaalsContact O-N 3.12Å; M135-L139 WeakPolarHBondContact O-CG 3.39Å; M135-L139 PolarHBondContact O-N 3.16Å; M135-L139 VanDerWaalsContact O-N 3.08Å; M135-P356 HydrophobicContact CB-CB 4.03Å; M135-P356 HydrophobicContact CG-CB 4.24Å; M135-P356 HydrophobicContact SD-CB 4.03Å; M135-E357 HydrophobicContact CG-CB 4.42Å; M135-E357 HydrophobicContact SD-CB 3.83Å; M135-V360 HydrophobicContact CG-CG2 4.05Å |
| 136 | R | 98.3 | Very high | 95.1 | Very high | 79 Ų | 79 | 54.2 Ų | 54.2 | 30% | 0.298 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.4 | -41.4 | 177.5 | -68.2 | -165.1 | -52.2 | -86.1 | -1.6 | 112.3 | I22 F132 D133 A138 L139 A140 | I22-R136 HydrophobicContact CB-CG 4.36Å; I22-R136 HydrophobicContact CD1-CG 4.19Å; I22-R136 HydrophobicContact CG2-CG 3.86Å; F132-R136 WeakPolarHBondContact O-CG 3.05Å; F132-R136 PolarHBondContact O-N 2.89Å; D133-R136 PolarHBondContact O-N 2.78Å; D133-R136 IonicContact OD1-CZ 3.42Å; D133-R136 IonicContact OD1-NH1 3.54Å; D133-R136 IonicContact OD1-NH2 2.61Å; D133-R136 PolarHBondContact OD1-NH2 3.13Å; R136-A138 VanDerWaalsContact C-N 3.27Å; R136-A138 PolarHBondContact O-N 3.36Å; R136-L139 PolarHBondContact O-N 3.35Å; R136-A140 PolarHBondContact O-N 3.14Å |
| 137 | N | 98.1 | Very high | 95.4 | Very high | 98 Ų | 98 | 56.4 Ų | 56.4 | 52% | 0.524 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.1 | -37.2 | 175.2 | -71 | -15.9 | 0 | 0 | 0 | 111.2 | D133 R134 M135 A140 R141 | D133-N137 VanDerWaalsContact O-CB 3.29Å; D133-N137 WeakPolarHBondContact O-CB 3.37Å; D133-N137 PolarHBondContact O-N 2.86Å; D133-N137 PolarHBondContact O-ND2 2.94Å; D133-N137 PolarHBondContact O-OD1 2.84Å; R134-N137 PolarHBondContact O-N 3.18Å; M135-N137 VanDerWaalsContact C-N 3.34Å; M135-N137 PolarHBondContact O-N 2.86Å; N137-A140 PolarHBondContact O-N 3.48Å; N137-R141 WeakPolarHBondContact O-CB 3.41Å; N137-R141 VanDerWaalsContact O-CG 3.24Å; N137-R141 WeakPolarHBondContact O-CG 3.29Å; N137-R141 PolarHBondContact O-N 3.08Å |
| 138 | A | 98.4 | Very high | 95.8 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 3% | 0.033 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R134 M135 R136 A140 R141 L142 M359 V360 V363 | R134-A138 WeakPolarHBondContact O-CB 3.47Å; R134-A138 PolarHBondContact O-N 2.61Å; M135-A138 WeakPolarHBondContact O-CB 3.2Å; M135-A138 PolarHBondContact O-N 3.03Å; M135-A138 VanDerWaalsContact O-N 3.12Å; R136-A138 VanDerWaalsContact C-N 3.27Å; R136-A138 PolarHBondContact O-N 3.36Å; A138-A140 PolarHBondContact O-N 3.37Å; A138-R141 PolarHBondContact O-N 3.08Å; A138-L142 PolarHBondContact O-N 3.22Å; A138-M359 HydrophobicContact CB-CB 4.38Å; A138-V360 HydrophobicContact CB-CB 4.37Å; A138-V360 HydrophobicContact CB-CG2 4.01Å; A138-V363 HydrophobicContact CB-CG2 3.8Å |
| 139 | L | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.7 | -43.2 | 174.6 | -58.3 | -178.3 | 0 | 0 | 0 | 111.9 | Y14 Q15 F18 I22 M135 R136 R141 L142 V143 | Y14-L139 HydrophobicContact CD1-CD2 3.99Å; Y14-L139 HydrophobicContact CE1-CD2 3.46Å; Y14-L139 VanDerWaalsContact CE1-CD2 3.46Å; Q15-L139 HydrophobicContact CB-CB 4.29Å; Q15-L139 HydrophobicContact CG-CB 3.93Å; F18-L139 HydrophobicContact CB-CD1 3.59Å; I22-L139 HydrophobicContact CD1-CD1 3.54Å; I22-L139 HydrophobicContact CD1-CG 4.43Å; M135-L139 WeakPolarHBondContact O-CG 3.39Å; M135-L139 PolarHBondContact O-N 3.16Å; M135-L139 VanDerWaalsContact O-N 3.08Å; R136-L139 PolarHBondContact O-N 3.35Å; L139-R141 VanDerWaalsContact C-N 3.32Å; L139-R141 PolarHBondContact O-N 3.19Å; L139-L142 WeakPolarHBondContact O-CB 3.31Å; L139-L142 PolarHBondContact O-N 2.96Å; L139-V143 PolarHBondContact O-N 2.89Å |
| 140 | A | 98.2 | Very high | 96.6 | Very high | 30 Ų | 30 | 49.8 Ų | 49.8 | 25% | 0.248 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.5 | -39.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | R136 N137 A138 V143 T144 | R136-A140 PolarHBondContact O-N 3.14Å; N137-A140 PolarHBondContact O-N 3.48Å; A138-A140 PolarHBondContact O-N 3.37Å; A140-V143 PolarHBondContact O-N 3.41Å; A140-T144 WeakPolarHBondContact O-CB 3.35Å; A140-T144 WeakPolarHBondContact O-CG2 3.3Å; A140-T144 PolarHBondContact O-N 2.63Å; A140-T144 PolarHBondContact O-OG1 2.91Å |
| 141 | R | 97.5 | Very high | 96.6 | Very high | 72 Ų | 72 | 52.9 Ų | 52.9 | 27% | 0.272 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 175.5 | -75.2 | 174.8 | 65.9 | 81.1 | 4.4 | 112.6 | N137 A138 L139 V143 T144 I145 V363 | N137-R141 WeakPolarHBondContact O-CB 3.41Å; N137-R141 VanDerWaalsContact O-CG 3.24Å; N137-R141 WeakPolarHBondContact O-CG 3.29Å; N137-R141 PolarHBondContact O-N 3.08Å; A138-R141 PolarHBondContact O-N 3.08Å; L139-R141 VanDerWaalsContact C-N 3.32Å; L139-R141 PolarHBondContact O-N 3.19Å; R141-V143 PolarHBondContact O-N 2.86Å; R141-T144 PolarHBondContact O-N 3.1Å; R141-I145 HydrophobicContact CB-CD1 4.22Å; R141-I145 HydrophobicContact CG-CD1 3.94Å; R141-I145 VanDerWaalsContact NH1-CD1 3.34Å; R141-I145 WeakPolarHBondContact O-CB 3.44Å; R141-I145 PolarHBondContact O-N 3.47Å; R141-V363 HydrophobicContact CB-CB 4.32Å; R141-V363 HydrophobicContact CB-CG2 4.1Å; R141-V363 PolarHBondContact NH2-O 3.02Å |
| 142 | L | 97.6 | Very high | 96.6 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.026 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.4 | -36.6 | 175.2 | -174.4 | 69 | 0 | 0 | 0 | 111.9 | A11 Y14 A138 L139 V149 Y154 M359 V363 | A11-L142 HydrophobicContact CB-CD2 4.28Å; A11-L142 HydrophobicContact CB-CG 4.05Å; Y14-L142 HydrophobicContact CD1-CD2 3.71Å; Y14-L142 HydrophobicContact CE1-CD2 3.93Å; Y14-L142 HydrophobicContact CG-CD2 4.46Å; A138-L142 PolarHBondContact O-N 3.22Å; L139-L142 WeakPolarHBondContact O-CB 3.31Å; L139-L142 PolarHBondContact O-N 2.96Å; L142-V149 HydrophobicContact CD1-CG2 3.7Å; L142-Y154 HydrophobicContact CD1-CD2 3.91Å; L142-Y154 HydrophobicContact CD1-CE2 4.15Å; L142-Y154 HydrophobicContact CG-CE2 4.37Å; L142-M359 HydrophobicContact CD1-CE 4.18Å; L142-M359 HydrophobicContact CD2-CE 4.09Å; L142-V363 HydrophobicContact CB-CG1 4.05Å; L142-V363 HydrophobicContact CD1-CG1 4.26Å |
| 143 | V | 97.6 | Very high | 96.6 | Very high | 48 Ų | 48 | 50.8 Ų | 50.8 | 29% | 0.291 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -77.1 | -41.3 | 178.3 | 176 | 0 | 0 | 0 | 0 | 112.2 | A11 Q15 L139 A140 R141 | A11-V143 VanDerWaalsContact C-CG2 3.48Å; A11-V143 HydrophobicContact CB-CG2 3.83Å; A11-V143 VanDerWaalsContact O-CG2 3.31Å; A11-V143 WeakPolarHBondContact O-CG2 3.23Å; Q15-V143 HydrophobicContact CB-CG2 3.9Å; L139-V143 PolarHBondContact O-N 2.89Å; A140-V143 PolarHBondContact O-N 3.41Å; R141-V143 PolarHBondContact O-N 2.86Å |
| 144 | T | 96.4 | Very high | 96.5 | Very high | 105 Ų | 105 | 51.7 Ų | 51.7 | 64% | 0.644 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -96.6 | -19.5 | -166.3 | 52.2 | 0 | 0 | 0 | 0 | 114.8 | A140 R141 | A140-T144 WeakPolarHBondContact O-CB 3.35Å; A140-T144 WeakPolarHBondContact O-CG2 3.3Å; A140-T144 PolarHBondContact O-N 2.63Å; A140-T144 PolarHBondContact O-OG1 2.91Å; R141-T144 PolarHBondContact O-N 3.1Å |
| 145 | I | 94.6 | Very high | 96.4 | Very high | 50 Ų | 50 | 53.7 Ų | 53.7 | 26% | 0.256 | 27% | 0.273 | S | S | . | . | trans | -119.8 | 103.7 | -175.1 | -55.2 | 177.5 | 0 | 0 | 0 | 108.6 | R141 T147 S148 | R141-I145 HydrophobicContact CB-CD1 4.22Å; R141-I145 HydrophobicContact CG-CD1 3.94Å; R141-I145 VanDerWaalsContact NH1-CD1 3.34Å; R141-I145 WeakPolarHBondContact O-CB 3.44Å; R141-I145 PolarHBondContact O-N 3.47Å; I145-T147 PolarHBondContact O-N 3.01Å; I145-S148 WeakPolarHBondContact O-CB 3.48Å; I145-S148 PolarHBondContact O-N 3.25Å; I145-S148 PolarHBondContact O-OG 2.74Å | ||
| 146 | E | 91.9 | Very high | 96.3 | Very high | 190 Ų | 190 | 54.8 Ų | 54.8 | 89% | 0.888 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -57.3 | -32.8 | 179 | -65.8 | -179 | 171.1 | 0 | 0 | 112.8 | S148 | E146-S148 VanDerWaalsContact C-N 3.3Å; E146-S148 PolarHBondContact O-N 3.23Å |
| 147 | T | 93.4 | Very high | 96.2 | Very high | 89 Ų | 89 | 51 Ų | 51 | 55% | 0.546 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -86.3 | 4.7 | -179.7 | 55.9 | 0 | 0 | 0 | 0 | 114.1 | I145 V149 | I145-T147 PolarHBondContact O-N 3.01Å; T147-V149 VanDerWaalsContact C-N 3.25Å; T147-V149 PolarHBondContact O-N 2.9Å |
| 148 | S | 95.8 | Very high | 96.1 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -62.4 | -32 | -177.9 | 58.3 | 0 | 0 | 0 | 0 | 113.1 | I145 E146 V363 G365 C366 | I145-S148 WeakPolarHBondContact O-CB 3.48Å; I145-S148 PolarHBondContact O-N 3.25Å; I145-S148 PolarHBondContact O-OG 2.74Å; E146-S148 VanDerWaalsContact C-N 3.3Å; E146-S148 PolarHBondContact O-N 3.23Å; S148-V363 WeakPolarHBondContact CB-O 3.23Å; S148-V363 CarbonylContact O-C 3.58Å; S148-V363 VanDerWaalsContact O-C 3.24Å; S148-V363 WeakPolarHBondContact O-CA 3.44Å; S148-G365 WeakPolarHBondContact O-CA 3.43Å; S148-G365 PolarHBondContact O-N 2.8Å; S148-C366 PolarHBondContact O-N 3.43Å |
| 149 | V | 97 | Very high | 96 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -145.9 | 153.6 | 175.9 | -73.9 | 0 | 0 | 0 | 0 | 110.1 | L142 T147 I153 Y154 V362 C366 | L142-V149 HydrophobicContact CD1-CG2 3.7Å; T147-V149 VanDerWaalsContact C-N 3.25Å; T147-V149 PolarHBondContact O-N 2.9Å; V149-I153 HydrophobicContact CB-CG2 4.44Å; V149-I153 HydrophobicContact CG1-CG2 4.41Å; V149-Y154 HydrophobicContact CG2-CD2 3.78Å; V149-Y154 HydrophobicContact CG2-CG 4.27Å; V149-V362 HydrophobicContact CG1-CG1 3.54Å; V149-V362 WeakPolarHBondContact CG1-O 3.47Å; V149-C366 CarbonylContact C-O 3.59Å; V149-C366 WeakPolarHBondContact CA-O 3.45Å; V149-C366 HydrophobicContact CG1-CB 4.46Å |
| 150 | S | 95.7 | Very high | 95.7 | Very high | 24 Ų | 24 | 49.5 Ų | 49.5 | 17% | 0.168 | 25% | 0.253 | C | S | . | . | trans | -69 | 150.2 | 170.2 | 62.9 | 0 | 0 | 0 | 0 | 111.8 | I153 Y154 C366 | S150-I153 WeakPolarHBondContact O-CB 3.18Å; S150-I153 PolarHBondContact O-N 3.2Å; S150-I153 WeakPolarHBondContact OG-CD1 3.36Å; S150-I153 WeakPolarHBondContact OG-CG1 3.47Å; S150-Y154 PolarHBondContact O-N 3.05Å; S150-C366 PolarHBondContact N-O 3.15Å | ||
| 151 | E | 94.1 | Very high | 95.1 | Very high | 129 Ų | 129 | 55.5 Ų | 55.5 | 60% | 0.603 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -48.5 | -47.6 | 178.9 | -177.7 | -175.3 | 175.7 | 0 | 0 | 114.9 | I153 Y154 Y155 | E151-I153 VanDerWaalsContact C-N 3.27Å; E151-I153 PolarHBondContact O-N 3.15Å; E151-Y154 WeakPolarHBondContact O-CB 3.38Å; E151-Y154 PolarHBondContact O-N 2.86Å; E151-Y155 HydrophobicContact CG-CD2 3.63Å; E151-Y155 HydrophobicContact CG-CE2 3.16Å; E151-Y155 WeakPolarHBondContact O-CD2 3.49Å; E151-Y155 PolarHBondContact O-N 2.99Å; E151-Y155 WeakPolarHBondContact OE1-CE2 3.17Å |
| 152 | P | 94 | Very high | 94.5 | Very high | 32 Ų | 32 | 53.6 Ų | 53.6 | 21% | 0.208 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -34.2 | 178.1 | -23.6 | 34.8 | 0 | 0 | 0 | 113.4 | R156 V165 P198 | P152-R156 WeakPolarHBondContact O-CB 3.45Å; P152-R156 WeakPolarHBondContact O-CG 3.38Å; P152-R156 PolarHBondContact O-N 3.19Å; P152-V165 HydrophobicContact CG-CG2 4.25Å; P152-P198 HydrophobicContact CB-CB 4.1Å; P152-P198 HydrophobicContact CB-CG 3.89Å |
| 153 | I | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -75.8 | -44.3 | 178 | -63.8 | 173.7 | 0 | 0 | 0 | 109.8 | V149 S150 E151 Y155 R156 I157 P198 V362 R367 L369 | V149-I153 HydrophobicContact CB-CG2 4.44Å; V149-I153 HydrophobicContact CG1-CG2 4.41Å; S150-I153 WeakPolarHBondContact O-CB 3.18Å; S150-I153 PolarHBondContact O-N 3.2Å; S150-I153 WeakPolarHBondContact OG-CD1 3.36Å; S150-I153 WeakPolarHBondContact OG-CG1 3.47Å; E151-I153 VanDerWaalsContact C-N 3.27Å; E151-I153 PolarHBondContact O-N 3.15Å; I153-Y155 PolarHBondContact O-N 2.8Å; I153-R156 PolarHBondContact O-N 2.77Å; I153-I157 HydrophobicContact CG2-CD1 3.63Å; I153-I157 HydrophobicContact CG2-CG1 4.28Å; I153-I157 VanDerWaalsContact O-CG1 3.29Å; I153-I157 WeakPolarHBondContact O-CG1 3.41Å; I153-I157 PolarHBondContact O-N 2.95Å; I153-P198 WeakPolarHBondContact CD1-O 3.37Å; I153-V362 HydrophobicContact CG2-CG1 4.46Å; I153-R367 VanDerWaalsContact CD1-C 3.43Å; I153-L369 HydrophobicContact CD1-CB 3.91Å; I153-L369 HydrophobicContact CG1-CB 4.48Å; I153-L369 HydrophobicContact CG2-CD2 4.2Å |
| 154 | Y | 97.2 | Very high | 93.1 | Very high | 62 Ų | 62 | 65.4 Ų | 65.4 | 24% | 0.243 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -53.4 | -52.5 | 177.8 | 180 | -96.2 | 0 | 0 | 0 | 111.5 | A11 L142 V149 S150 E151 R156 I157 L158 | A11-Y154 HydrophobicContact CB-CE2 3.89Å; A11-Y154 WeakPolarHBondContact CB-OH 3.48Å; A11-Y154 PolarHBondContact N-OH 2.62Å; L142-Y154 HydrophobicContact CD1-CD2 3.91Å; L142-Y154 HydrophobicContact CD1-CE2 4.15Å; L142-Y154 HydrophobicContact CG-CE2 4.37Å; V149-Y154 HydrophobicContact CG2-CD2 3.78Å; V149-Y154 HydrophobicContact CG2-CG 4.27Å; S150-Y154 PolarHBondContact O-N 3.05Å; E151-Y154 WeakPolarHBondContact O-CB 3.38Å; E151-Y154 PolarHBondContact O-N 2.86Å; Y154-R156 PolarHBondContact O-N 2.97Å; Y154-I157 WeakPolarHBondContact O-CB 3.41Å; Y154-I157 PolarHBondContact O-N 3.12Å; Y154-L158 HydrophobicContact CD1-CD1 4.07Å; Y154-L158 HydrophobicContact CE1-CD1 3.4Å; Y154-L158 HydrophobicContact CE1-CG 4.3Å; Y154-L158 HydrophobicContact CE2-CD1 4.44Å; Y154-L158 WeakPolarHBondContact O-CG 3.43Å; Y154-L158 PolarHBondContact O-N 3.42Å |
| 155 | Y | 95.7 | Very high | 92.6 | Very high | 83 Ų | 83 | 63.8 Ų | 63.8 | 33% | 0.325 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.8 | -39.3 | -179.8 | -69.6 | -43 | 0 | 0 | 0 | 113 | E151 I153 I157 L158 G159 I160 T162 | E151-Y155 HydrophobicContact CG-CD2 3.63Å; E151-Y155 HydrophobicContact CG-CE2 3.16Å; E151-Y155 WeakPolarHBondContact O-CD2 3.49Å; E151-Y155 PolarHBondContact O-N 2.99Å; E151-Y155 WeakPolarHBondContact OE1-CE2 3.17Å; I153-Y155 PolarHBondContact O-N 2.8Å; Y155-I157 VanDerWaalsContact C-N 3.34Å; Y155-I157 PolarHBondContact O-N 3.15Å; Y155-L158 CarbonylContact O-C 3.06Å; Y155-L158 PolarHBondContact O-N 2.92Å; Y155-L158 VanDerWaalsContact O-N 3.17Å; Y155-G159 PolarHBondContact O-N 2.98Å; Y155-I160 HydrophobicContact CD1-CB 4.39Å; Y155-I160 HydrophobicContact CD1-CD1 4.03Å; Y155-I160 HydrophobicContact CD1-CG2 4.49Å; Y155-I160 PolarHBondContact O-N 2.86Å; Y155-T162 HydrophobicContact CD2-CG2 3.73Å; Y155-T162 HydrophobicContact CG-CG2 3.89Å |
| 156 | R | 95.1 | Very high | 92.3 | Very high | 37 Ų | 37 | 66.3 Ų | 66.3 | 14% | 0.14 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 175.1 | -69.1 | -72.9 | -164.4 | -130.2 | -1.5 | 112 | P152 I153 Y154 L158 G159 T162 D164 I199 L400 I405 | P152-R156 WeakPolarHBondContact O-CB 3.45Å; P152-R156 WeakPolarHBondContact O-CG 3.38Å; P152-R156 PolarHBondContact O-N 3.19Å; I153-R156 PolarHBondContact O-N 2.77Å; Y154-R156 PolarHBondContact O-N 2.97Å; R156-L158 VanDerWaalsContact C-N 3.35Å; R156-G159 PolarHBondContact O-N 2.84Å; R156-T162 PolarHBondContact NE-OG1 2.98Å; R156-T162 PolarHBondContact NH1-O 3.33Å; R156-T162 VanDerWaalsContact NH1-O 3.16Å; R156-T162 PolarHBondContact NH1-OG1 3.44Å; R156-T162 PolarHBondContact NH2-O 2.92Å; R156-T162 PolarHBondContact NH2-OG1 2.99Å; R156-D164 IonicContact NH2-OD1 3.34Å; R156-D164 PolarHBondContact NH2-OD1 3Å; R156-I199 HydrophobicContact CB-CD1 4.17Å; R156-I199 HydrophobicContact CB-CG2 4.46Å; R156-I199 HydrophobicContact CG-CG2 4.07Å; R156-L400 WeakPolarHBondContact O-CD2 3.47Å; R156-I405 HydrophobicContact CB-CD1 4.4Å; R156-I405 HydrophobicContact CG-CD1 4.45Å |
| 157 | I | 96.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 172.5 | -69.7 | 161.8 | 0 | 0 | 0 | 110.4 | Y14 I153 Y154 Y155 G159 M359 V362 R399 | Y14-I157 HydrophobicContact CD2-CG2 4.46Å; Y14-I157 HydrophobicContact CE2-CG2 3.92Å; I153-I157 HydrophobicContact CG2-CD1 3.63Å; I153-I157 HydrophobicContact CG2-CG1 4.28Å; I153-I157 VanDerWaalsContact O-CG1 3.29Å; I153-I157 WeakPolarHBondContact O-CG1 3.41Å; I153-I157 PolarHBondContact O-N 2.95Å; Y154-I157 WeakPolarHBondContact O-CB 3.41Å; Y154-I157 PolarHBondContact O-N 3.12Å; Y155-I157 VanDerWaalsContact C-N 3.34Å; Y155-I157 PolarHBondContact O-N 3.15Å; I157-G159 PolarHBondContact O-N 2.88Å; I157-G159 VanDerWaalsContact O-N 3.14Å; I157-M359 HydrophobicContact CD1-CE 3.69Å; I157-M359 HydrophobicContact CD1-SD 4.03Å; I157-M359 HydrophobicContact CG1-SD 4.45Å; I157-M359 HydrophobicContact CG2-CE 4.29Å; I157-M359 HydrophobicContact CG2-SD 4.31Å; I157-V362 HydrophobicContact CD1-CG1 3.92Å; I157-R399 VanDerWaalsContact O-CZ 3.27Å; I157-R399 PolarHBondContact O-NH1 2.83Å; I157-R399 PolarHBondContact O-NH2 3.3Å |
| 158 | L | 97.2 | Very high | 92 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -5 | 175.7 | -61.4 | -173.7 | 0 | 0 | 0 | 113.5 | R7 Y8 Y14 Y154 Y155 R156 I160 | R7-L158 CarbonylContact C-O 3.59Å; R7-L158 WeakPolarHBondContact CA-O 3.13Å; Y8-L158 PolarHBondContact N-O 3.17Å; Y14-L158 HydrophobicContact CD2-CD2 4.39Å; Y14-L158 HydrophobicContact CG-CD2 4.3Å; Y154-L158 HydrophobicContact CD1-CD1 4.07Å; Y154-L158 HydrophobicContact CE1-CD1 3.4Å; Y154-L158 HydrophobicContact CE1-CG 4.3Å; Y154-L158 HydrophobicContact CE2-CD1 4.44Å; Y154-L158 WeakPolarHBondContact O-CG 3.43Å; Y154-L158 PolarHBondContact O-N 3.42Å; Y155-L158 CarbonylContact O-C 3.06Å; Y155-L158 PolarHBondContact O-N 2.92Å; Y155-L158 VanDerWaalsContact O-N 3.17Å; R156-L158 VanDerWaalsContact C-N 3.35Å; L158-I160 HydrophobicContact CB-CD1 4.08Å; L158-I160 HydrophobicContact CB-CG1 3.94Å; L158-I160 HydrophobicContact CD1-CD1 4.19Å; L158-I160 PolarHBondContact O-N 3.16Å |
| 159 | G | 95.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 65.3 Ų | 65.3 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.1 | 27.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R7 Y155 R156 I157 L403 | R7-G159 WeakPolarHBondContact CD-O 3.11Å; R7-G159 VanDerWaalsContact CG-O 3.29Å; R7-G159 WeakPolarHBondContact CG-O 3.32Å; R7-G159 PolarHBondContact NH1-O 2.86Å; Y155-G159 PolarHBondContact O-N 2.98Å; R156-G159 PolarHBondContact O-N 2.84Å; I157-G159 PolarHBondContact O-N 2.88Å; I157-G159 VanDerWaalsContact O-N 3.14Å; G159-L403 VanDerWaalsContact CA-CD1 3.5Å |
| 160 | I | 93.5 | Very high | 91.3 | Very high | 65 Ų | 65 | 69.9 Ų | 69.9 | 33% | 0.333 | 35% | 0.352 | S | S | . | . | trans | -88.1 | 133.8 | 172.1 | -57.6 | -178.3 | 0 | 0 | 0 | 107.9 | Y155 L158 T162 | Y155-I160 HydrophobicContact CD1-CB 4.39Å; Y155-I160 HydrophobicContact CD1-CD1 4.03Å; Y155-I160 HydrophobicContact CD1-CG2 4.49Å; Y155-I160 PolarHBondContact O-N 2.86Å; L158-I160 HydrophobicContact CB-CD1 4.08Å; L158-I160 HydrophobicContact CB-CG1 3.94Å; L158-I160 HydrophobicContact CD1-CD1 4.19Å; L158-I160 PolarHBondContact O-N 3.16Å; I160-T162 PolarHBondContact O-N 3.4Å | ||
| 161 | E | 85.8 | Confident | 91.1 | Very high | 157 Ų | 157 | 71.5 Ų | 71.5 | 73% | 0.734 | 36% | 0.358 | S | S | * | . | trans | -74.2 | 127 | 178 | -168.6 | 168.5 | -174.1 | 0 | 0 | 110 | ||||
| 162 | T | 84 | Confident | 91 | Very high | 32 Ų | 32 | 67 Ų | 67 | 20% | 0.196 | 34% | 0.34 | C | S | . | . | trans | -125 | 157.3 | 176.4 | 66.6 | 0 | 0 | 0 | 0 | 109.6 | Y155 R156 I160 | Y155-T162 HydrophobicContact CD2-CG2 3.73Å; Y155-T162 HydrophobicContact CG-CG2 3.89Å; R156-T162 PolarHBondContact NE-OG1 2.98Å; R156-T162 PolarHBondContact NH1-O 3.33Å; R156-T162 VanDerWaalsContact NH1-O 3.16Å; R156-T162 PolarHBondContact NH1-OG1 3.44Å; R156-T162 PolarHBondContact NH2-O 2.92Å; R156-T162 PolarHBondContact NH2-OG1 2.99Å; I160-T162 PolarHBondContact O-N 3.4Å | ||
| 163 | E | 84.7 | Confident | 90.9 | Very high | 175 Ų | 175 | 76.1 Ų | 76.1 | 82% | 0.818 | 38% | 0.377 | S | S | * | . | trans | -61.7 | 152.2 | 169.4 | -62.7 | -176 | 173.9 | 0 | 0 | 111.5 | V165 | E163-V165 PolarHBondContact O-N 2.7Å; E163-V165 VanDerWaalsContact O-N 3.12Å | ||
| 164 | D | 81.5 | Confident | 90.8 | Very high | 126 Ų | 126 | 83.7 Ų | 83.7 | 67% | 0.674 | 41% | 0.405 | S | S | * | . | trans | -75.4 | 101.8 | 176.9 | -83.5 | -17.5 | 0 | 0 | 0 | 110.5 | R156 V166 | R156-D164 IonicContact NH2-OD1 3.34Å; R156-D164 PolarHBondContact NH2-OD1 3Å; D164-V166 PolarHBondContact O-N 3.08Å | ||
| 165 | V | 85.4 | Confident | 90.9 | Very high | 71 Ų | 71 | 82.2 Ų | 82.2 | 43% | 0.43 | 40% | 0.4 | S | S | . | . | trans | -77.5 | 119.4 | 175.2 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | P152 E163 P198 | P152-V165 HydrophobicContact CG-CG2 4.25Å; E163-V165 PolarHBondContact O-N 2.7Å; E163-V165 VanDerWaalsContact O-N 3.12Å; V165-P198 HydrophobicContact CB-CG 4.23Å; V165-P198 VanDerWaalsContact O-CD 3.23Å; V165-P198 WeakPolarHBondContact O-CD 3.35Å | ||
| 166 | V | 88.2 | Confident | 90.9 | Very high | 102 Ų | 102 | 79 Ų | 79 | 62% | 0.618 | 39% | 0.39 | S | S | * | . | trans | -95.6 | 114.7 | 170 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | D164 K168 Q196 | D164-V166 PolarHBondContact O-N 3.08Å; V166-K168 PolarHBondContact O-N 2.79Å; V166-Q196 HydrophobicContact CG1-CB 4.3Å | ||
| 167 | M | 90.4 | Very high | 91 | Very high | 23 Ų | 23 | 77.8 Ų | 77.8 | 11% | 0.113 | 39% | 0.386 | C | S | . | . | trans | -71.4 | 126.4 | 176.6 | -63 | -178.4 | 9.9 | 0 | 0 | 110.8 | I169 L195 Q196 P198 Y225 Q368 | M167-I169 HydrophobicContact CB-CG2 4.47Å; M167-I169 HydrophobicContact CE-CG2 4.06Å; M167-I169 PolarHBondContact O-N 3.09Å; M167-I169 VanDerWaalsContact O-N 3.12Å; M167-L195 WeakPolarHBondContact CE-O 3.36Å; M167-Q196 PolarHBondContact N-O 2.85Å; M167-P198 HydrophobicContact SD-CB 4.39Å; M167-Y225 VanDerWaalsContact CE-OH 3.31Å; M167-Y225 WeakPolarHBondContact CE-OH 3.45Å; M167-Q368 VanDerWaalsContact CE-CD 3.47Å; M167-Q368 HydrophobicContact CE-CG 4.35Å; M167-Q368 VanDerWaalsContact CE-NE2 3.31Å; M167-Q368 HydrophobicContact SD-CG 4.3Å | ||
| 168 | K | 89.1 | Confident | 91 | Very high | 215 Ų | 215 | 88.7 Ų | 88.7 | 94% | 0.935 | 43% | 0.427 | S | S | * | . | trans | -78.6 | 94.1 | 173.7 | -65 | -177.5 | -177.5 | 178.1 | 0 | 109.7 | V166 | V166-K168 PolarHBondContact O-N 2.79Š| ||
| 169 | I | 88.7 | Confident | 91 | Very high | 23 Ų | 23 | 91 Ų | 91 | 12% | 0.118 | 45% | 0.451 | C | S | . | . | trans | -125.4 | 143 | 176.1 | 52.3 | 138.2 | 0 | 0 | 0 | 110.5 | M167 L171 L195 Q196 I224 | M167-I169 HydrophobicContact CB-CG2 4.47Å; M167-I169 HydrophobicContact CE-CG2 4.06Å; M167-I169 PolarHBondContact O-N 3.09Å; M167-I169 VanDerWaalsContact O-N 3.12Å; I169-L171 HydrophobicContact CD1-CD2 3.81Å; I169-L171 PolarHBondContact O-N 3.19Å; I169-L171 VanDerWaalsContact O-N 3.16Å; I169-L195 VanDerWaalsContact CD1-C 3.42Å; I169-L195 HydrophobicContact CD1-CB 3.43Å; I169-L195 VanDerWaalsContact CD1-CB 3.43Å; I169-L195 WeakPolarHBondContact CD1-O 3.11Å; I169-L195 WeakPolarHBondContact CG1-O 3.31Å; I169-Q196 HydrophobicContact CD1-CG 4.17Å; I169-Q196 HydrophobicContact CG1-CG 4.1Å; I169-I224 HydrophobicContact CD1-CD1 4.11Å; I169-I224 HydrophobicContact CG2-CG2 4.37Å | ||
| 170 | P | 88 | Confident | 91.1 | Very high | 106 Ų | 106 | 91.8 Ų | 91.8 | 69% | 0.688 | 46% | 0.455 | S | S | * | . | trans | -70.3 | 110.2 | 174 | 28.3 | -31.9 | 0 | 0 | 0 | 109.4 | ||||
| 171 | L | 92.6 | Very high | 91.2 | Very high | 57 Ų | 57 | 92.4 Ų | 92.4 | 30% | 0.298 | 46% | 0.464 | S | S | . | . | trans | -70.1 | 141.8 | 177.9 | -69.1 | 176.3 | 0 | 0 | 0 | 111 | I169 F175 R192 L195 Q196 | I169-L171 HydrophobicContact CD1-CD2 3.81Å; I169-L171 PolarHBondContact O-N 3.19Å; I169-L171 VanDerWaalsContact O-N 3.16Å; L171-F175 HydrophobicContact CB-CZ 4.45Å; L171-F175 HydrophobicContact CD2-CE1 4.34Å; L171-F175 HydrophobicContact CD2-CZ 4.47Å; L171-R192 HydrophobicContact CD1-CG 4.05Å; L171-L195 HydrophobicContact CD2-CB 4.31Å; L171-L195 HydrophobicContact CD2-CD1 4.42Å; L171-Q196 HydrophobicContact CD2-CG 3.95Å | ||
| 172 | P | 92.3 | Very high | 91.8 | Very high | 35 Ų | 35 | 90.3 Ų | 90.3 | 23% | 0.227 | 45% | 0.454 | C | S | . | . | trans | -66.8 | 148.3 | 176.6 | 31 | -37.3 | 0 | 0 | 0 | 110.8 | R174 F175 | P172-R174 VanDerWaalsContact C-N 3.27Å; P172-R174 PolarHBondContact O-N 3.38Å; P172-F175 HydrophobicContact CG-CD1 3.61Å; P172-F175 HydrophobicContact CG-CE1 3.63Å; P172-F175 HydrophobicContact CG-CG 4.42Å; P172-F175 HydrophobicContact CG-CZ 4.44Å | ||
| 173 | K | 91.4 | Very high | 92.4 | Very high | 224 Ų | 224 | 89.5 Ų | 89.5 | 97% | 0.974 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -64.9 | -30.9 | 176 | -66.6 | -175.5 | 178.8 | -178.5 | 0 | 112.9 | ||
| 174 | R | 95.2 | Very high | 93 | Very high | 159 Ų | 159 | 82.1 Ų | 82.1 | 60% | 0.6 | 41% | 0.414 | S | S | * | . | trans | -132.4 | 128.3 | 175.9 | -177 | 176.8 | 179.7 | -178 | -4.4 | 108.9 | P172 E182 | P172-R174 VanDerWaalsContact C-N 3.27Å; P172-R174 PolarHBondContact O-N 3.38Å; R174-E182 IonicContact CZ-OE1 3.27Å; R174-E182 IonicContact CZ-OE2 3.22Å; R174-E182 IonicContact NE-OE1 2.67Å; R174-E182 IonicContact NH2-OE1 2.61Å; R174-E182 PolarHBondContact NH2-OE1 3.3Å; R174-E182 IonicContact NH2-OE2 3.07Å; R174-E182 PolarHBondContact NH2-OE2 2.89Å | ||
| 175 | F | 97.4 | Very high | 93.8 | Very high | 30 Ų | 30 | 81.1 Ų | 81.1 | 13% | 0.132 | 41% | 0.405 | C | S | . | . | trans | -83.3 | -33 | -178.9 | -68.5 | -75.2 | 0 | 0 | 0 | 113.1 | L171 P172 L183 V188 V191 R192 L195 T216 H220 | L171-F175 HydrophobicContact CB-CZ 4.45Å; L171-F175 HydrophobicContact CD2-CE1 4.34Å; L171-F175 HydrophobicContact CD2-CZ 4.47Å; P172-F175 HydrophobicContact CG-CD1 3.61Å; P172-F175 HydrophobicContact CG-CE1 3.63Å; P172-F175 HydrophobicContact CG-CG 4.42Å; P172-F175 HydrophobicContact CG-CZ 4.44Å; F175-L183 HydrophobicContact CB-CD1 4.48Å; F175-V188 HydrophobicContact CB-CG1 4.33Å; F175-V188 HydrophobicContact CB-CG2 4.39Å; F175-V188 HydrophobicContact CD2-CG1 3.61Å; F175-V188 HydrophobicContact CE2-CG1 4.24Å; F175-V188 HydrophobicContact CG-CG1 4.17Å; F175-V191 HydrophobicContact CB-CG1 4.46Å; F175-V191 HydrophobicContact CD1-CB 4.24Å; F175-V191 HydrophobicContact CD1-CG1 3.6Å; F175-V191 HydrophobicContact CE1-CG1 4.29Å; F175-V191 HydrophobicContact CG-CG1 4.41Å; F175-R192 HydrophobicContact CE1-CB 4.01Å; F175-R192 HydrophobicContact CE2-CB 4.28Å; F175-R192 HydrophobicContact CZ-CB 3.72Å; F175-R192 HydrophobicContact CZ-CG 3.91Å; F175-L195 HydrophobicContact CE1-CD1 4.32Å; F175-T216 WeakPolarHBondContact O-CG2 3.42Å; F175-H220 PolarHBondContact O-NE2 3.01Å | ||
| 176 | S | 97.6 | Very high | 94.4 | Very high | 15 Ų | 15 | 78 Ų | 78 | 11% | 0.105 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -64.6 | 140 | 174.5 | -49.7 | 0 | 0 | 0 | 0 | 111.3 | E182 L183 | S176-E182 VanDerWaalsContact CB-CD 3.48Å; S176-E182 WeakPolarHBondContact CB-OE1 3.24Å; S176-E182 WeakPolarHBondContact CB-OE2 3.43Å; S176-E182 PolarHBondContact OG-OE1 3.03Å; S176-L183 PolarHBondContact OG-N 3.43Å |
| 177 | V | 97.1 | Very high | 94.9 | Very high | 12 Ų | 12 | 73.5 Ų | 73.5 | 7% | 0.073 | 36% | 0.359 | C | S | . | . | trans | -114.4 | 138 | -173.2 | 175.8 | 0 | 0 | 0 | 0 | 110.2 | L180 T216 H219 T249 | V177-L180 PolarHBondContact O-N 2.98Å; V177-T216 HydrophobicContact CG2-CG2 3.68Å; V177-H219 HydrophobicContact CG1-CB 4.25Å; V177-H219 HydrophobicContact CG2-CB 4.13Å; V177-T249 HydrophobicContact CG1-CG2 3.71Å | ||
| 178 | R | 95.6 | Very high | 95.3 | Very high | 230 Ų | 230 | 74.3 Ų | 74.3 | 87% | 0.868 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 140.5 | 176.4 | -65.2 | -176.4 | 179.6 | -174.5 | -0.5 | 110.5 | L180 | R178-L180 VanDerWaalsContact C-N 3.29Š|
| 179 | G | 96.1 | Very high | 95.7 | Very high | 50 Ų | 50 | 69.9 Ų | 69.9 | 52% | 0.515 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | -8.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 180 | L | 97.7 | Very high | 96.1 | Very high | 20 Ų | 20 | 68.8 Ų | 68.8 | 11% | 0.105 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -115.9 | 158.1 | 171.9 | -64.6 | 179.5 | 0 | 0 | 0 | 110.9 | V177 R178 V212 A215 T216 K245 T249 | V177-L180 PolarHBondContact O-N 2.98Å; R178-L180 VanDerWaalsContact C-N 3.29Å; L180-V212 HydrophobicContact CB-CG1 4.33Å; L180-A215 HydrophobicContact CD1-CB 3.82Å; L180-T216 WeakPolarHBondContact CD1-OG1 3.47Å; L180-K245 HydrophobicContact CD2-CB 4.19Å; L180-K245 HydrophobicContact CD2-CD 4.16Å; L180-T249 HydrophobicContact CD1-CG2 3.57Å; L180-T249 HydrophobicContact CG-CG2 3.85Å |
| 181 | P | 96.5 | Very high | 96.6 | Very high | 79 Ų | 79 | 63.8 Ų | 63.8 | 51% | 0.513 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 152.4 | 170.1 | -24.2 | 34.8 | 0 | 0 | 0 | 112.5 | V212 | P181-V212 HydrophobicContact CG-CG2 4.37Š|
| 182 | E | 97.4 | Very high | 96.9 | Very high | 113 Ų | 113 | 67.4 Ų | 67.4 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 137.5 | 174.3 | -166.6 | 65.9 | -155.6 | 0 | 0 | 110.4 | R174 S176 | R174-E182 IonicContact CZ-OE1 3.27Å; R174-E182 IonicContact CZ-OE2 3.22Å; R174-E182 IonicContact NE-OE1 2.67Å; R174-E182 IonicContact NH2-OE1 2.61Å; R174-E182 PolarHBondContact NH2-OE1 3.3Å; R174-E182 IonicContact NH2-OE2 3.07Å; R174-E182 PolarHBondContact NH2-OE2 2.89Å; S176-E182 VanDerWaalsContact CB-CD 3.48Å; S176-E182 WeakPolarHBondContact CB-OE1 3.24Å; S176-E182 WeakPolarHBondContact CB-OE2 3.43Å; S176-E182 PolarHBondContact OG-OE1 3.03Å |
| 183 | L | 98.2 | Very high | 97.1 | Very high | 14 Ų | 14 | 66.6 Ų | 66.6 | 7% | 0.073 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 138.7 | -179.9 | -61.8 | -172.1 | 0 | 0 | 0 | 111.4 | F175 S176 Q187 V188 V191 V212 T216 | F175-L183 HydrophobicContact CB-CD1 4.48Å; S176-L183 PolarHBondContact OG-N 3.43Å; L183-Q187 HydrophobicContact CB-CB 4.01Å; L183-Q187 HydrophobicContact CD1-CB 4.43Å; L183-Q187 HydrophobicContact CD2-CB 4.11Å; L183-Q187 HydrophobicContact CG-CB 4.41Å; L183-V188 HydrophobicContact CB-CG2 3.69Å; L183-V188 HydrophobicContact CD1-CG2 4.37Å; L183-V191 HydrophobicContact CD1-CG2 3.84Å; L183-V212 HydrophobicContact CD2-CG1 3.93Å; L183-T216 HydrophobicContact CD1-CG2 3.74Å |
| 184 | N | 97.3 | Very high | 97.3 | Very high | 20 Ų | 20 | 55.9 Ų | 55.9 | 11% | 0.107 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 173.3 | 167.7 | 68.7 | 53.2 | 0 | 0 | 0 | 112 | S186 Q187 V188 V412 Y414 | N184-S186 VanDerWaalsContact C-N 3.34Å; N184-S186 PolarHBondContact O-N 2.69Å; N184-S186 PolarHBondContact OD1-N 3.14Å; N184-S186 PolarHBondContact OD1-OG 3.48Å; N184-Q187 PolarHBondContact ND2-OE1 3.19Å; N184-Q187 VanDerWaalsContact ND2-OE1 3.15Å; N184-Q187 PolarHBondContact O-N 3.4Å; N184-Q187 PolarHBondContact OD1-N 2.73Å; N184-V188 WeakPolarHBondContact O-CG2 3.26Å; N184-V188 PolarHBondContact O-N 2.9Å; N184-V412 HydrophobicContact CB-CG2 4.4Å; N184-Y414 PolarHBondContact ND2-OH 3.26Å; N184-Y414 VanDerWaalsContact ND2-OH 3.12Å |
| 185 | H | 97.3 | Very high | 97.4 | Very high | 105 Ų | 105 | 48.3 Ų | 48.3 | 49% | 0.486 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -55.7 | -43.2 | -176.8 | 69.2 | -83.2 | 0 | 0 | 0 | 113.5 | V188 F189 Q411 | H185-V188 PolarHBondContact O-N 3.09Å; H185-F189 WeakPolarHBondContact O-CB 3.43Å; H185-F189 PolarHBondContact O-N 3.06Å; H185-Q411 PolarHBondContact NE2-OE1 3.13Å |
| 186 | S | 97.9 | Very high | 97.3 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.3 | -37 | -179.1 | 72.6 | 0 | 0 | 0 | 0 | 112 | N184 A190 Q411 | N184-S186 VanDerWaalsContact C-N 3.34Å; N184-S186 PolarHBondContact O-N 2.69Å; N184-S186 PolarHBondContact OD1-N 3.14Å; N184-S186 PolarHBondContact OD1-OG 3.48Å; S186-A190 WeakPolarHBondContact O-CB 3.49Å; S186-A190 PolarHBondContact O-N 3.12Å; S186-Q411 PolarHBondContact OG-N 2.92Å; S186-Q411 VanDerWaalsContact OG-N 3.09Å |
| 187 | Q | 98.5 | Very high | 97.2 | Very high | 7 Ų | 7 | 53.4 Ų | 53.4 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.2 | -43.3 | 174.5 | -64.6 | 175.1 | -57.9 | 0 | 0 | 111.4 | L183 N184 F189 A190 V191 T208 G209 T213 L410 | L183-Q187 HydrophobicContact CB-CB 4.01Å; L183-Q187 HydrophobicContact CD1-CB 4.43Å; L183-Q187 HydrophobicContact CD2-CB 4.11Å; L183-Q187 HydrophobicContact CG-CB 4.41Å; N184-Q187 PolarHBondContact ND2-OE1 3.19Å; N184-Q187 VanDerWaalsContact ND2-OE1 3.15Å; N184-Q187 PolarHBondContact O-N 3.4Å; N184-Q187 PolarHBondContact OD1-N 2.73Å; Q187-F189 VanDerWaalsContact C-N 3.33Å; Q187-F189 PolarHBondContact O-N 2.89Å; Q187-A190 WeakPolarHBondContact O-CB 3.27Å; Q187-A190 PolarHBondContact O-N 3.41Å; Q187-V191 VanDerWaalsContact O-CG2 3.3Å; Q187-V191 WeakPolarHBondContact O-CG2 3.46Å; Q187-V191 PolarHBondContact O-N 3.48Å; Q187-T208 PolarHBondContact NE2-O 3.16Å; Q187-G209 PolarHBondContact NE2-O 3.37Å; Q187-T213 WeakPolarHBondContact CG-OG1 3.23Å; Q187-T213 PolarHBondContact NE2-OG1 2.82Å; Q187-L410 HydrophobicContact CG-CD2 4.05Å |
| 188 | V | 98.5 | Very high | 97.2 | Very high | 40 Ų | 40 | 53.5 Ų | 53.5 | 24% | 0.242 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 175 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | F175 L183 N184 H185 A190 V191 R192 | F175-V188 HydrophobicContact CB-CG1 4.33Å; F175-V188 HydrophobicContact CB-CG2 4.39Å; F175-V188 HydrophobicContact CD2-CG1 3.61Å; F175-V188 HydrophobicContact CE2-CG1 4.24Å; F175-V188 HydrophobicContact CG-CG1 4.17Å; L183-V188 HydrophobicContact CB-CG2 3.69Å; L183-V188 HydrophobicContact CD1-CG2 4.37Å; N184-V188 WeakPolarHBondContact O-CG2 3.26Å; N184-V188 PolarHBondContact O-N 2.9Å; H185-V188 PolarHBondContact O-N 3.09Å; V188-A190 VanDerWaalsContact C-N 3.33Å; V188-A190 PolarHBondContact O-N 3.15Å; V188-V191 PolarHBondContact O-N 3.21Å; V188-R192 WeakPolarHBondContact O-CB 3.49Å; V188-R192 PolarHBondContact O-N 3.38Å |
| 189 | F | 98 | Very high | 97.2 | Very high | 123 Ų | 123 | 43.2 Ų | 43.2 | 54% | 0.539 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60 | -43.1 | 175.3 | 178.1 | -100.3 | 0 | 0 | 0 | 111.8 | H185 Q187 T193 I408 | H185-F189 WeakPolarHBondContact O-CB 3.43Å; H185-F189 PolarHBondContact O-N 3.06Å; Q187-F189 VanDerWaalsContact C-N 3.33Å; Q187-F189 PolarHBondContact O-N 2.89Å; F189-T193 VanDerWaalsContact O-CB 3.31Å; F189-T193 WeakPolarHBondContact O-CB 3.34Å; F189-T193 PolarHBondContact O-N 2.86Å; F189-T193 PolarHBondContact O-OG1 3.08Å; F189-I408 HydrophobicContact CD1-CG2 3.77Å; F189-I408 HydrophobicContact CE1-CG2 3.95Å |
| 190 | A | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.3 | -52.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S186 Q187 V188 R192 T193 V194 I202 T213 I408 L410 | S186-A190 WeakPolarHBondContact O-CB 3.49Å; S186-A190 PolarHBondContact O-N 3.12Å; Q187-A190 WeakPolarHBondContact O-CB 3.27Å; Q187-A190 PolarHBondContact O-N 3.41Å; V188-A190 VanDerWaalsContact C-N 3.33Å; V188-A190 PolarHBondContact O-N 3.15Å; A190-R192 PolarHBondContact O-N 2.93Å; A190-T193 PolarHBondContact O-N 3.29Å; A190-V194 VanDerWaalsContact O-CB 3.3Å; A190-V194 WeakPolarHBondContact O-CB 3.42Å; A190-V194 VanDerWaalsContact O-CG2 3.24Å; A190-V194 WeakPolarHBondContact O-CG2 3.5Å; A190-V194 PolarHBondContact O-N 3.39Å; A190-I202 HydrophobicContact CB-CD1 4.32Å; A190-T213 HydrophobicContact CB-CG2 4.27Å; A190-I408 HydrophobicContact CB-CG2 3.79Å; A190-L410 HydrophobicContact CB-CD2 3.98Å |
| 191 | V | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.7 | -50.4 | 179.1 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | F175 L183 Q187 V188 T193 L195 T213 T216 I217 | F175-V191 HydrophobicContact CB-CG1 4.46Å; F175-V191 HydrophobicContact CD1-CB 4.24Å; F175-V191 HydrophobicContact CD1-CG1 3.6Å; F175-V191 HydrophobicContact CE1-CG1 4.29Å; F175-V191 HydrophobicContact CG-CG1 4.41Å; L183-V191 HydrophobicContact CD1-CG2 3.84Å; Q187-V191 VanDerWaalsContact O-CG2 3.3Å; Q187-V191 WeakPolarHBondContact O-CG2 3.46Å; Q187-V191 PolarHBondContact O-N 3.48Å; V188-V191 PolarHBondContact O-N 3.21Å; V191-T193 PolarHBondContact O-N 2.78Å; V191-L195 HydrophobicContact CG1-CD1 3.82Å; V191-L195 HydrophobicContact CG1-CG 4.3Å; V191-L195 WeakPolarHBondContact O-CB 3.48Å; V191-L195 WeakPolarHBondContact O-CG 3.48Å; V191-L195 PolarHBondContact O-N 3.4Å; V191-L195 VanDerWaalsContact O-N 3.09Å; V191-T213 HydrophobicContact CG2-CG2 4.19Å; V191-T216 HydrophobicContact CG1-CG2 4.49Å; V191-T216 HydrophobicContact CG2-CG2 4.09Å; V191-I217 HydrophobicContact CB-CG1 4.38Å; V191-I217 HydrophobicContact CG1-CG1 4.41Å; V191-I217 HydrophobicContact CG2-CG1 3.92Å |
| 192 | R | 97.3 | Very high | 97.5 | Very high | 134 Ų | 134 | 36.4 Ų | 36.4 | 51% | 0.506 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -56.9 | -49.5 | 179.8 | 179.8 | 177.6 | -179.3 | 169.8 | 0.7 | 112 | L171 F175 V188 A190 Q196 | L171-R192 HydrophobicContact CD1-CG 4.05Å; F175-R192 HydrophobicContact CE1-CB 4.01Å; F175-R192 HydrophobicContact CE2-CB 4.28Å; F175-R192 HydrophobicContact CZ-CB 3.72Å; F175-R192 HydrophobicContact CZ-CG 3.91Å; V188-R192 WeakPolarHBondContact O-CB 3.49Å; V188-R192 PolarHBondContact O-N 3.38Å; A190-R192 PolarHBondContact O-N 2.93Å; R192-Q196 WeakPolarHBondContact O-CG 3.11Å |
| 193 | T | 96.2 | Very high | 97.5 | Very high | 17 Ų | 17 | 31.1 Ų | 31.1 | 10% | 0.104 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.8 | -44.6 | -175 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | F189 A190 V191 L195 Q196 R197 I408 | F189-T193 VanDerWaalsContact O-CB 3.31Å; F189-T193 WeakPolarHBondContact O-CB 3.34Å; F189-T193 PolarHBondContact O-N 2.86Å; F189-T193 PolarHBondContact O-OG1 3.08Å; A190-T193 PolarHBondContact O-N 3.29Å; V191-T193 PolarHBondContact O-N 2.78Å; T193-L195 PolarHBondContact O-N 2.83Å; T193-Q196 PolarHBondContact O-N 3.28Å; T193-R197 PolarHBondContact O-N 2.87Å; T193-I408 HydrophobicContact CG2-CD1 3.66Å |
| 194 | V | 97 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.7 | -40.3 | -178.3 | 168.2 | 0 | 0 | 0 | 0 | 111.9 | A190 Q196 R197 S200 I202 I217 Q368 I370 I408 | A190-V194 VanDerWaalsContact O-CB 3.3Å; A190-V194 WeakPolarHBondContact O-CB 3.42Å; A190-V194 VanDerWaalsContact O-CG2 3.24Å; A190-V194 WeakPolarHBondContact O-CG2 3.5Å; A190-V194 PolarHBondContact O-N 3.39Å; V194-Q196 PolarHBondContact O-N 3.34Å; V194-Q196 VanDerWaalsContact O-N 3.1Å; V194-R197 PolarHBondContact O-N 2.98Å; V194-S200 VanDerWaalsContact CG2-CB 3.49Å; V194-I202 HydrophobicContact CG2-CD1 3.72Å; V194-I202 HydrophobicContact CG2-CG1 3.87Å; V194-I217 HydrophobicContact CB-CD1 4.37Å; V194-I217 HydrophobicContact CG1-CD1 4.2Å; V194-I217 HydrophobicContact CG1-CG2 4.14Å; V194-Q368 PolarHBondContact O-NE2 3.48Å; V194-I370 HydrophobicContact CG1-CB 4.23Å; V194-I370 HydrophobicContact CG1-CD1 4.39Å; V194-I370 HydrophobicContact CG1-CG1 3.31Å; V194-I370 HydrophobicContact CG1-CG2 3.84Å; V194-I408 HydrophobicContact CG2-CD1 3.88Å |
| 195 | L | 97.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60 | -24.8 | 178.3 | -70.9 | 175.6 | 0 | 0 | 0 | 112.3 | M167 I169 L171 F175 V191 T193 H220 L221 I224 Q368 | M167-L195 WeakPolarHBondContact CE-O 3.36Å; I169-L195 VanDerWaalsContact CD1-C 3.42Å; I169-L195 HydrophobicContact CD1-CB 3.43Å; I169-L195 VanDerWaalsContact CD1-CB 3.43Å; I169-L195 WeakPolarHBondContact CD1-O 3.11Å; I169-L195 WeakPolarHBondContact CG1-O 3.31Å; L171-L195 HydrophobicContact CD2-CB 4.31Å; L171-L195 HydrophobicContact CD2-CD1 4.42Å; F175-L195 HydrophobicContact CE1-CD1 4.32Å; V191-L195 HydrophobicContact CG1-CD1 3.82Å; V191-L195 HydrophobicContact CG1-CG 4.3Å; V191-L195 WeakPolarHBondContact O-CB 3.48Å; V191-L195 WeakPolarHBondContact O-CG 3.48Å; V191-L195 PolarHBondContact O-N 3.4Å; V191-L195 VanDerWaalsContact O-N 3.09Å; T193-L195 PolarHBondContact O-N 2.83Å; L195-H220 HydrophobicContact CD1-CB 3.85Å; L195-H220 HydrophobicContact CD2-CB 3.91Å; L195-L221 HydrophobicContact CD2-CD2 3.58Å; L195-L221 HydrophobicContact CD2-CG 3.81Å; L195-I224 HydrophobicContact CD2-CD1 4.13Å; L195-Q368 PolarHBondContact O-NE2 3.43Å; L195-Q368 VanDerWaalsContact O-NE2 3.13Å |
| 196 | Q | 95.7 | Very high | 97.3 | Very high | 53 Ų | 53 | 24.5 Ų | 24.5 | 25% | 0.248 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 3.4 | -176.9 | -58.9 | -175.9 | -75.8 | 0 | 0 | 114.4 | V166 M167 I169 L171 R192 T193 V194 | V166-Q196 HydrophobicContact CG1-CB 4.3Å; M167-Q196 PolarHBondContact N-O 2.85Å; I169-Q196 HydrophobicContact CD1-CG 4.17Å; I169-Q196 HydrophobicContact CG1-CG 4.1Å; L171-Q196 HydrophobicContact CD2-CG 3.95Å; R192-Q196 WeakPolarHBondContact O-CG 3.11Å; T193-Q196 PolarHBondContact O-N 3.28Å; V194-Q196 PolarHBondContact O-N 3.34Å; V194-Q196 VanDerWaalsContact O-N 3.1Å |
| 197 | R | 95.6 | Very high | 97.2 | Very high | 98 Ų | 98 | 25 Ų | 25 | 37% | 0.37 | 12% | 0.115 | S | C | . | . | trans | -120.8 | 143.3 | -177.5 | -72 | -178.3 | 175.4 | -174.1 | -5.4 | 111.5 | T193 V194 I199 S200 Q368 | T193-R197 PolarHBondContact O-N 2.87Å; V194-R197 PolarHBondContact O-N 2.98Å; R197-I199 VanDerWaalsContact C-N 3.33Å; R197-S200 WeakPolarHBondContact CB-OG 3.34Å; R197-Q368 WeakPolarHBondContact O-CG 3.32Å; R197-Q368 PolarHBondContact O-NE2 3.3Å; R197-Q368 VanDerWaalsContact O-NE2 3.12Å | ||
| 198 | P | 95.8 | Very high | 97.2 | Very high | 14 Ų | 14 | 24.7 Ų | 24.7 | 9% | 0.091 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -71.5 | -28.5 | 176.2 | 29.5 | -35.8 | 0 | 0 | 0 | 112.4 | P152 I153 V165 M167 Q368 L369 | P152-P198 HydrophobicContact CB-CB 4.1Å; P152-P198 HydrophobicContact CB-CG 3.89Å; I153-P198 WeakPolarHBondContact CD1-O 3.37Å; V165-P198 HydrophobicContact CB-CG 4.23Å; V165-P198 VanDerWaalsContact O-CD 3.23Å; V165-P198 WeakPolarHBondContact O-CD 3.35Å; M167-P198 HydrophobicContact SD-CB 4.39Å; P198-Q368 CarbonylContact O-C 3.52Å; P198-Q368 VanDerWaalsContact O-CA 3.26Å; P198-Q368 WeakPolarHBondContact O-CA 3.14Å; P198-L369 PolarHBondContact O-N 3.25Å |
| 199 | I | 96.4 | Very high | 97 | Very high | 14 Ų | 14 | 23.9 Ų | 23.9 | 7% | 0.072 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 138.7 | 173.2 | -170 | 166.8 | 0 | 0 | 0 | 109.5 | R156 R197 L369 L400 | R156-I199 HydrophobicContact CB-CD1 4.17Å; R156-I199 HydrophobicContact CB-CG2 4.46Å; R156-I199 HydrophobicContact CG-CG2 4.07Å; R197-I199 VanDerWaalsContact C-N 3.33Å; I199-L369 CarbonylContact C-O 3.59Å; I199-L369 VanDerWaalsContact CA-O 3.28Å; I199-L369 WeakPolarHBondContact CA-O 3.44Å; I199-L369 HydrophobicContact CD1-CD2 4.13Å; I199-L369 HydrophobicContact CG1-CB 4.34Å; I199-L369 HydrophobicContact CG1-CD2 4.42Å; I199-L400 HydrophobicContact CD1-CD1 3.82Å |
| 200 | S | 98.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 19.1 Ų | 19.1 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 142.8 | 178 | -72.4 | 0 | 0 | 0 | 0 | 111.9 | V194 R197 L369 L371 | V194-S200 VanDerWaalsContact CG2-CB 3.49Å; R197-S200 WeakPolarHBondContact CB-OG 3.34Å; S200-L369 PolarHBondContact N-O 2.69Å; S200-L371 PolarHBondContact O-N 3.09Å |
| 201 | L | 98.7 | Very high | 96.8 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.9 | 172.6 | -52 | -174.8 | 0 | 0 | 0 | 108.4 | L371 F397 L400 V401 I405 P407 I408 | L201-L371 CarbonylContact C-O 3.5Å; L201-L371 WeakPolarHBondContact CA-O 3.29Å; L201-L371 HydrophobicContact CD2-CB 3.77Å; L201-L371 HydrophobicContact CD2-CD1 3.75Å; L201-L371 HydrophobicContact CD2-CG 4.14Å; L201-F397 HydrophobicContact CB-CD2 4.37Å; L201-F397 HydrophobicContact CB-CE2 3.78Å; L201-F397 HydrophobicContact CB-CZ 3.91Å; L201-F397 HydrophobicContact CD2-CD2 4.08Å; L201-F397 HydrophobicContact CD2-CE2 4.34Å; L201-L400 HydrophobicContact CD1-CB 3.9Å; L201-L400 HydrophobicContact CD2-CB 4.42Å; L201-L400 HydrophobicContact CD2-CD1 4.01Å; L201-V401 HydrophobicContact CD1-CG2 3.75Å; L201-I405 HydrophobicContact CD1-CB 3.99Å; L201-I405 HydrophobicContact CD1-CG2 3.86Å; L201-I405 HydrophobicContact CG-CG2 3.87Å; L201-P407 HydrophobicContact CB-CB 4.06Å; L201-P407 HydrophobicContact CB-CG 4.23Å; L201-P407 HydrophobicContact CD1-CG 4.27Å; L201-P407 WeakPolarHBondContact O-CA 3.46Å; L201-I408 PolarHBondContact O-N 3.25Å |
| 202 | I | 98.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 115.7 | 170.5 | -60.3 | 176.1 | 0 | 0 | 0 | 107.6 | A190 V194 T213 I217 I370 L371 V372 G373 F397 I408 L410 | A190-I202 HydrophobicContact CB-CD1 4.32Å; V194-I202 HydrophobicContact CG2-CD1 3.72Å; V194-I202 HydrophobicContact CG2-CG1 3.87Å; I202-T213 HydrophobicContact CD1-CG2 4.45Å; I202-I217 HydrophobicContact CD1-CD1 3.35Å; I202-I370 HydrophobicContact CD1-CG2 4.2Å; I202-L371 PolarHBondContact N-O 2.86Å; I202-V372 HydrophobicContact CB-CG1 4.19Å; I202-V372 HydrophobicContact CB-CG2 4.18Å; I202-V372 HydrophobicContact CD1-CG2 4.25Å; I202-V372 HydrophobicContact CG2-CG1 4.26Å; I202-V372 WeakPolarHBondContact O-CA 3.35Å; I202-G373 PolarHBondContact O-N 3.26Å; I202-G373 VanDerWaalsContact O-N 3.07Å; I202-F397 WeakPolarHBondContact O-CE2 3.36Å; I202-I408 CarbonylContact C-O 3.55Å; I202-I408 WeakPolarHBondContact CA-O 3.38Å; I202-L410 HydrophobicContact CG2-CD1 4.32Å; I202-L410 HydrophobicContact CG2-CD2 4.18Å; I202-L410 HydrophobicContact CG2-CG 4.01Å |
| 203 | Q | 98.5 | Very high | 96.8 | Very high | 2 Ų | 2 | 15.1 Ų | 15.1 | 1% | 0.009 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 122.6 | 168.7 | -176.2 | -177.5 | 16.6 | 0 | 0 | 108.4 | P205 G373 D374 H375 F397 P407 I408 R409 L410 | Q203-P205 WeakPolarHBondContact O-CD 3.24Å; Q203-G373 CarbonylContact C-O 3.59Å; Q203-G373 VanDerWaalsContact CA-O 3.3Å; Q203-G373 WeakPolarHBondContact CA-O 3.2Å; Q203-D374 PolarHBondContact NE2-OD1 3.37Å; Q203-H375 VanDerWaalsContact CD-CE1 3.41Å; Q203-H375 PolarHBondContact NE2-CE1 3.07Å; Q203-H375 VanDerWaalsContact NE2-CE1 3.31Å; Q203-F397 HydrophobicContact CB-CZ 4.37Å; Q203-P407 HydrophobicContact CB-CB 3.81Å; Q203-I408 PolarHBondContact N-O 2.98Å; Q203-R409 HydrophobicContact CB-CB 4.38Å; Q203-R409 HydrophobicContact CB-CG 4.4Å; Q203-R409 HydrophobicContact CG-CG 4.41Å; Q203-R409 CarbonylContact O-C 3.44Å; Q203-R409 WeakPolarHBondContact O-CA 3.31Å; Q203-L410 PolarHBondContact O-N 3.14Å |
| 204 | G | 96.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | -122.5 | 96.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K210 G373 | G204-K210 VanDerWaalsContact CA-CG 3.42Å; G204-K210 WeakPolarHBondContact O-CD 3.5Å; G204-K210 WeakPolarHBondContact O-CE 3.02Å; G204-K210 PolarHBondContact O-NZ 3.4Å; G204-G373 PolarHBondContact N-O 3.31Å | ||
| 205 | P | 96.8 | Very high | 97 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | -58 | 166.8 | 174.4 | -25.9 | 37.9 | 0 | 0 | 0 | 112.8 | Q203 G207 T208 R409 L410 Y429 L433 | Q203-P205 WeakPolarHBondContact O-CD 3.24Å; P205-G207 PolarHBondContact O-N 2.77Å; P205-T208 HydrophobicContact CB-CG2 3.83Å; P205-T208 HydrophobicContact CG-CG2 4.29Å; P205-T208 WeakPolarHBondContact O-CB 3.39Å; P205-T208 WeakPolarHBondContact O-CG2 3.38Å; P205-T208 PolarHBondContact O-N 2.78Å; P205-T208 PolarHBondContact O-OG1 2.99Å; P205-R409 HydrophobicContact CG-CG 4.1Å; P205-L410 WeakPolarHBondContact CD-O 3.43Å; P205-Y429 HydrophobicContact CB-CD1 4.05Å; P205-Y429 HydrophobicContact CB-CE1 3.67Å; P205-Y429 HydrophobicContact CB-CE2 4.22Å; P205-Y429 HydrophobicContact CB-CG 4.47Å; P205-Y429 HydrophobicContact CG-CD1 3.72Å; P205-Y429 HydrophobicContact CG-CE1 3.64Å; P205-Y429 HydrophobicContact CG-CG 4.4Å; P205-L433 HydrophobicContact CB-CD1 3.98Å; P205-L433 HydrophobicContact CB-CD2 3.74Å; P205-L433 HydrophobicContact CG-CD2 3.66Å | ||
| 206 | P | 95.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.006 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 133.1 | -180 | -26.1 | 33.2 | 0 | 0 | 0 | 112.5 | T208 Q413 M416 Y429 T576 | P206-T208 PolarHBondContact O-N 3.49Å; P206-T208 VanDerWaalsContact O-N 3.17Å; P206-Q413 WeakPolarHBondContact O-CB 3.21Å; P206-M416 HydrophobicContact CB-CE 4.31Å; P206-Y429 WeakPolarHBondContact CD-OH 3.18Å; P206-T576 HydrophobicContact CB-CG2 4.3Å; P206-T576 VanDerWaalsContact CG-CB 3.48Å; P206-T576 HydrophobicContact CG-CG2 3.71Å; P206-T576 WeakPolarHBondContact CG-OG1 3.04Å |
| 207 | G | 95.5 | Very high | 97.2 | Very high | 16 Ų | 16 | 11.9 Ų | 11.9 | 17% | 0.165 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71 | 4.2 | 176 | 0 | 0 | 0 | 0 | 0 | 116.1 | P205 G209 Y414 | P205-G207 PolarHBondContact O-N 2.77Å; G207-G209 VanDerWaalsContact C-N 3.26Å; G207-G209 PolarHBondContact O-N 3.38Å; G207-Y414 WeakPolarHBondContact O-CD2 3.25Å; G207-Y414 PolarHBondContact O-N 2.72Å |
| 208 | T | 97.3 | Very high | 97.4 | Very high | 1 Ų | 1 | 7.2 Ų | 7.2 | 1% | 0.006 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -81.9 | 4.6 | -175.4 | 60.2 | 0 | 0 | 0 | 0 | 116 | Q187 P205 P206 L410 V412 Q413 | Q187-T208 PolarHBondContact NE2-O 3.16Å; P205-T208 HydrophobicContact CB-CG2 3.83Å; P205-T208 HydrophobicContact CG-CG2 4.29Å; P205-T208 WeakPolarHBondContact O-CB 3.39Å; P205-T208 WeakPolarHBondContact O-CG2 3.38Å; P205-T208 PolarHBondContact O-N 2.78Å; P205-T208 PolarHBondContact O-OG1 2.99Å; P206-T208 PolarHBondContact O-N 3.49Å; P206-T208 VanDerWaalsContact O-N 3.17Å; T208-L410 HydrophobicContact CG2-CB 4.36Å; T208-V412 VanDerWaalsContact CA-O 3.23Å; T208-V412 WeakPolarHBondContact CA-O 3.21Å; T208-Q413 HydrophobicContact CG2-CB 4.16Å |
| 209 | G | 95.7 | Very high | 97.5 | Very high | 23 Ų | 23 | 8 Ų | 8 | 24% | 0.237 | 5% | 0.052 | C | C | . | . | trans | 78.3 | 30.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q187 G207 T211 V212 T213 | Q187-G209 PolarHBondContact NE2-O 3.37Å; G207-G209 VanDerWaalsContact C-N 3.26Å; G207-G209 PolarHBondContact O-N 3.38Å; G209-T211 PolarHBondContact O-N 2.97Å; G209-V212 WeakPolarHBondContact O-CB 3.29Å; G209-V212 PolarHBondContact O-N 3.35Å; G209-T213 PolarHBondContact O-N 2.93Å; G209-T213 PolarHBondContact O-OG1 3.3Å; G209-T213 VanDerWaalsContact O-OG1 3.13Å | ||
| 210 | K | 95.8 | Very high | 97.6 | Very high | 22 Ų | 22 | 8 Ų | 8 | 10% | 0.096 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -39.4 | -61.5 | 173.9 | -81.3 | -162.5 | -64.2 | -69.7 | 0 | 113.5 | G204 V212 T213 S214 E349 V372 L410 | G204-K210 VanDerWaalsContact CA-CG 3.42Å; G204-K210 WeakPolarHBondContact O-CD 3.5Å; G204-K210 WeakPolarHBondContact O-CE 3.02Å; G204-K210 PolarHBondContact O-NZ 3.4Å; K210-V212 PolarHBondContact O-N 3.14Å; K210-T213 CarbonylContact O-C 3.42Å; K210-T213 WeakPolarHBondContact O-CA 3.24Å; K210-T213 WeakPolarHBondContact O-CB 3.44Å; K210-T213 PolarHBondContact O-N 3.15Å; K210-S214 PolarHBondContact O-N 3.39Å; K210-S214 PolarHBondContact O-OG 3.24Å; K210-S214 VanDerWaalsContact O-OG 3.1Å; K210-E349 WeakPolarHBondContact CE-OE1 3.49Å; K210-E349 IonicContact NZ-OE1 2.98Å; K210-V372 HydrophobicContact CB-CG1 4.46Å; K210-V372 HydrophobicContact CD-CG1 4.1Å; K210-V372 HydrophobicContact CG-CG1 4.3Å; K210-L410 HydrophobicContact CG-CD1 4.38Å |
| 211 | T | 95.6 | Very high | 97.6 | Very high | 31 Ų | 31 | 7.8 Ų | 7.8 | 19% | 0.19 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63.7 | -31.1 | -175 | -42.5 | 0 | 0 | 0 | 0 | 112.2 | G209 A215 L242 K245 | G209-T211 PolarHBondContact O-N 2.97Å; T211-A215 VanDerWaalsContact O-CB 3.25Å; T211-A215 WeakPolarHBondContact O-CB 3.25Å; T211-A215 PolarHBondContact O-N 3.05Å; T211-L242 HydrophobicContact CG2-CB 4.04Å; T211-L242 HydrophobicContact CG2-CD1 3.75Å; T211-L242 HydrophobicContact CG2-CG 4.47Å; T211-K245 HydrophobicContact CG2-CB 4.37Å; T211-K245 HydrophobicContact CG2-CG 3.88Å |
| 212 | V | 97.7 | Very high | 97.5 | Very high | 19 Ų | 19 | 8.2 Ų | 8.2 | 12% | 0.115 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -68.9 | -44.9 | 174.1 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | L180 P181 L183 G209 K210 A215 T216 | L180-V212 HydrophobicContact CB-CG1 4.33Å; P181-V212 HydrophobicContact CG-CG2 4.37Å; L183-V212 HydrophobicContact CD2-CG1 3.93Å; G209-V212 WeakPolarHBondContact O-CB 3.29Å; G209-V212 PolarHBondContact O-N 3.35Å; K210-V212 PolarHBondContact O-N 3.14Å; V212-A215 PolarHBondContact O-N 3.17Å; V212-T216 WeakPolarHBondContact O-CB 3.41Å; V212-T216 PolarHBondContact O-N 3.3Å; V212-T216 PolarHBondContact O-OG1 3.19Å |
| 213 | T | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -61.2 | -48.1 | 174.4 | -51.1 | 0 | 0 | 0 | 0 | 110.8 | Q187 A190 V191 I202 G209 K210 A215 T216 I217 L410 | Q187-T213 WeakPolarHBondContact CG-OG1 3.23Å; Q187-T213 PolarHBondContact NE2-OG1 2.82Å; A190-T213 HydrophobicContact CB-CG2 4.27Å; V191-T213 HydrophobicContact CG2-CG2 4.19Å; I202-T213 HydrophobicContact CD1-CG2 4.45Å; G209-T213 PolarHBondContact O-N 2.93Å; G209-T213 PolarHBondContact O-OG1 3.3Å; G209-T213 VanDerWaalsContact O-OG1 3.13Å; K210-T213 CarbonylContact O-C 3.42Å; K210-T213 WeakPolarHBondContact O-CA 3.24Å; K210-T213 WeakPolarHBondContact O-CB 3.44Å; K210-T213 PolarHBondContact O-N 3.15Å; T213-A215 PolarHBondContact O-N 3.09Å; T213-T216 WeakPolarHBondContact O-CB 3.17Å; T213-T216 PolarHBondContact O-N 3.1Å; T213-I217 HydrophobicContact CG2-CD1 4.05Å; T213-I217 WeakPolarHBondContact O-CG1 3.44Å; T213-I217 PolarHBondContact O-N 3.37Å; T213-L410 HydrophobicContact CG2-CD2 4.4Å |
| 214 | S | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57.8 | -49.4 | 177.1 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | K210 T216 I217 V218 | K210-S214 PolarHBondContact O-N 3.39Å; K210-S214 PolarHBondContact O-OG 3.24Å; K210-S214 VanDerWaalsContact O-OG 3.1Å; S214-T216 VanDerWaalsContact C-N 3.29Å; S214-T216 PolarHBondContact O-N 3.22Å; S214-I217 PolarHBondContact O-N 2.92Å; S214-V218 VanDerWaalsContact O-CG2 3.3Å; S214-V218 WeakPolarHBondContact O-CG2 3.34Å; S214-V218 PolarHBondContact O-N 3.29Å |
| 215 | A | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.9 | -36.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L180 T211 V212 T213 V218 H219 L242 K245 I246 | L180-A215 HydrophobicContact CD1-CB 3.82Å; T211-A215 VanDerWaalsContact O-CB 3.25Å; T211-A215 WeakPolarHBondContact O-CB 3.25Å; T211-A215 PolarHBondContact O-N 3.05Å; V212-A215 PolarHBondContact O-N 3.17Å; T213-A215 PolarHBondContact O-N 3.09Å; A215-V218 PolarHBondContact O-N 3.45Å; A215-H219 PolarHBondContact O-N 3.4Å; A215-L242 HydrophobicContact CB-CD1 4.21Å; A215-K245 HydrophobicContact CB-CB 3.71Å; A215-I246 HydrophobicContact CB-CG1 3.83Å |
| 216 | T | 98.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.6 | -42.8 | 176 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | F175 V177 L180 L183 V191 V212 T213 S214 V218 H219 H220 | F175-T216 WeakPolarHBondContact O-CG2 3.42Å; V177-T216 HydrophobicContact CG2-CG2 3.68Å; L180-T216 WeakPolarHBondContact CD1-OG1 3.47Å; L183-T216 HydrophobicContact CD1-CG2 3.74Å; V191-T216 HydrophobicContact CG1-CG2 4.49Å; V191-T216 HydrophobicContact CG2-CG2 4.09Å; V212-T216 WeakPolarHBondContact O-CB 3.41Å; V212-T216 PolarHBondContact O-N 3.3Å; V212-T216 PolarHBondContact O-OG1 3.19Å; T213-T216 WeakPolarHBondContact O-CB 3.17Å; T213-T216 PolarHBondContact O-N 3.1Å; S214-T216 VanDerWaalsContact C-N 3.29Å; S214-T216 PolarHBondContact O-N 3.22Å; T216-V218 VanDerWaalsContact C-N 3.34Å; T216-H219 WeakPolarHBondContact O-CB 3.34Å; T216-H219 PolarHBondContact O-N 3.43Å; T216-H220 PolarHBondContact O-CD2 2.8Å; T216-H220 PolarHBondContact O-N 3.3Å; T216-H220 VanDerWaalsContact O-N 3.13Å |
| 217 | I | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.1 | -48.7 | 174.4 | -69.5 | 165.7 | 0 | 0 | 0 | 109.8 | V191 V194 I202 T213 S214 H219 H220 L221 L346 I370 | V191-I217 HydrophobicContact CB-CG1 4.38Å; V191-I217 HydrophobicContact CG1-CG1 4.41Å; V191-I217 HydrophobicContact CG2-CG1 3.92Å; V194-I217 HydrophobicContact CB-CD1 4.37Å; V194-I217 HydrophobicContact CG1-CD1 4.2Å; V194-I217 HydrophobicContact CG1-CG2 4.14Å; I202-I217 HydrophobicContact CD1-CD1 3.35Å; T213-I217 HydrophobicContact CG2-CD1 4.05Å; T213-I217 WeakPolarHBondContact O-CG1 3.44Å; T213-I217 PolarHBondContact O-N 3.37Å; S214-I217 PolarHBondContact O-N 2.92Å; I217-H219 VanDerWaalsContact C-N 3.31Å; I217-H219 PolarHBondContact O-N 2.99Å; I217-H220 PolarHBondContact O-N 2.77Å; I217-L221 HydrophobicContact CG2-CD1 3.67Å; I217-L221 HydrophobicContact CG2-CG 4.18Å; I217-L221 VanDerWaalsContact O-CG 3.31Å; I217-L221 WeakPolarHBondContact O-CG 3.4Å; I217-L221 PolarHBondContact O-N 2.85Å; I217-L346 HydrophobicContact CB-CD1 4.39Å; I217-L346 HydrophobicContact CG2-CD1 4.19Å; I217-I370 HydrophobicContact CG2-CG1 4.41Å |
| 218 | V | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.7 | -43 | 178.5 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | S214 A215 T216 H220 L221 A222 V229 V231 I246 L251 V324 L346 | S214-V218 VanDerWaalsContact O-CG2 3.3Å; S214-V218 WeakPolarHBondContact O-CG2 3.34Å; S214-V218 PolarHBondContact O-N 3.29Å; A215-V218 PolarHBondContact O-N 3.45Å; T216-V218 VanDerWaalsContact C-N 3.34Å; V218-H220 PolarHBondContact O-N 2.69Å; V218-L221 PolarHBondContact O-N 2.95Å; V218-A222 WeakPolarHBondContact O-CB 3.39Å; V218-A222 PolarHBondContact O-N 3.37Å; V218-V229 HydrophobicContact CG1-CB 4.39Å; V218-V229 HydrophobicContact CG1-CG1 4.27Å; V218-V229 HydrophobicContact CG2-CG1 4.44Å; V218-V231 HydrophobicContact CB-CG2 4.45Å; V218-V231 HydrophobicContact CG1-CG2 4.02Å; V218-V231 HydrophobicContact CG2-CG2 3.52Å; V218-I246 HydrophobicContact CB-CD1 4.24Å; V218-I246 HydrophobicContact CB-CG1 4.25Å; V218-I246 HydrophobicContact CG1-CD1 3.97Å; V218-I246 HydrophobicContact CG1-CG1 4.14Å; V218-I246 HydrophobicContact CG1-CG2 3.95Å; V218-I246 HydrophobicContact CG2-CD1 4.17Å; V218-L251 HydrophobicContact CG1-CD1 4.46Å; V218-V324 HydrophobicContact CG1-CB 4.38Å; V218-V324 HydrophobicContact CG1-CG1 3.93Å; V218-V324 HydrophobicContact CG1-CG2 3.48Å; V218-V324 VanDerWaalsContact CG1-CG2 3.48Å; V218-L346 HydrophobicContact CG2-CB 4.38Å; V218-L346 HydrophobicContact CG2-CD1 4.08Å |
| 219 | H | 98.5 | Very high | 96.8 | Very high | 30 Ų | 30 | 27 Ų | 27 | 14% | 0.139 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.3 | -50.3 | 175.8 | -179.7 | 91.5 | 0 | 0 | 0 | 112.3 | V177 A215 T216 I217 A222 K223 T249 L251 | V177-H219 HydrophobicContact CG1-CB 4.25Å; V177-H219 HydrophobicContact CG2-CB 4.13Å; A215-H219 PolarHBondContact O-N 3.4Å; T216-H219 WeakPolarHBondContact O-CB 3.34Å; T216-H219 PolarHBondContact O-N 3.43Å; I217-H219 VanDerWaalsContact C-N 3.31Å; I217-H219 PolarHBondContact O-N 2.99Å; H219-A222 PolarHBondContact O-N 3.36Å; H219-K223 WeakPolarHBondContact O-CG 3.43Å; H219-K223 PolarHBondContact O-N 3.4Å; H219-K223 VanDerWaalsContact O-N 3.13Å; H219-T249 HydrophobicContact CB-CG2 4.33Å; H219-T249 WeakPolarHBondContact ND1-CB 3.47Å; H219-T249 PolarHBondContact ND1-OG1 3.12Å; H219-L251 HydrophobicContact CB-CD1 4.17Å |
| 220 | H | 98.3 | Very high | 97 | Very high | 14 Ų | 14 | 25.9 Ų | 25.9 | 7% | 0.065 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.8 | -41.3 | 179.4 | -69.5 | -56.8 | 0 | 0 | 0 | 111.9 | F175 L195 T216 I217 V218 A222 K223 I224 | F175-H220 PolarHBondContact O-NE2 3.01Å; L195-H220 HydrophobicContact CD1-CB 3.85Å; L195-H220 HydrophobicContact CD2-CB 3.91Å; T216-H220 PolarHBondContact O-CD2 2.8Å; T216-H220 PolarHBondContact O-N 3.3Å; T216-H220 VanDerWaalsContact O-N 3.13Å; I217-H220 PolarHBondContact O-N 2.77Å; V218-H220 PolarHBondContact O-N 2.69Å; H220-A222 PolarHBondContact O-N 2.9Å; H220-K223 PolarHBondContact O-N 3.04Å; H220-K223 VanDerWaalsContact O-N 3.16Å; H220-I224 WeakPolarHBondContact O-CB 3.38Å; H220-I224 WeakPolarHBondContact O-CD1 3.46Å; H220-I224 WeakPolarHBondContact O-CG1 3.3Å; H220-I224 PolarHBondContact O-N 2.61Å |
| 221 | L | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 176.9 | -69.4 | 174.6 | 0 | 0 | 0 | 112.3 | L195 I217 V218 K223 I224 Y225 V229 C344 I370 | L195-L221 HydrophobicContact CD2-CD2 3.58Å; L195-L221 HydrophobicContact CD2-CG 3.81Å; I217-L221 HydrophobicContact CG2-CD1 3.67Å; I217-L221 HydrophobicContact CG2-CG 4.18Å; I217-L221 VanDerWaalsContact O-CG 3.31Å; I217-L221 WeakPolarHBondContact O-CG 3.4Å; I217-L221 PolarHBondContact O-N 2.85Å; V218-L221 PolarHBondContact O-N 2.95Å; L221-K223 PolarHBondContact O-N 3.34Å; L221-I224 PolarHBondContact O-N 3.39Å; L221-Y225 HydrophobicContact CD2-CD2 4.41Å; L221-Y225 HydrophobicContact CD2-CE2 4.02Å; L221-Y225 WeakPolarHBondContact O-CD2 3.46Å; L221-Y225 PolarHBondContact O-N 3.31Å; L221-V229 HydrophobicContact CB-CG2 3.85Å; L221-C344 HydrophobicContact CD1-CB 4.17Å; L221-I370 HydrophobicContact CD1-CD1 3.79Å |
| 222 | A | 97.4 | Very high | 97.3 | Very high | 11 Ų | 11 | 23.3 Ų | 23.3 | 9% | 0.091 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -68.4 | -21.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V218 H219 H220 Y225 V229 L251 D323 V324 | V218-A222 WeakPolarHBondContact O-CB 3.39Å; V218-A222 PolarHBondContact O-N 3.37Å; H219-A222 PolarHBondContact O-N 3.36Å; H220-A222 PolarHBondContact O-N 2.9Å; A222-Y225 VanDerWaalsContact O-O 3.05Å; A222-V229 HydrophobicContact CB-CG2 4.04Å; A222-L251 HydrophobicContact CB-CD1 4.01Å; A222-L251 HydrophobicContact CB-CD2 4.06Å; A222-D323 HydrophobicContact CB-CB 4.28Å; A222-V324 HydrophobicContact CB-CG2 4.4Å |
| 223 | K | 96.1 | Very high | 97.3 | Very high | 137 Ų | 137 | 22.4 Ų | 22.4 | 60% | 0.596 | 13% | 0.125 | S | C | * | . | H | α-helix | trans | -86.6 | -29.9 | 172.3 | -66.6 | -59.6 | -179.9 | -166.2 | 0 | 113 | H219 H220 L221 | H219-K223 WeakPolarHBondContact O-CG 3.43Å; H219-K223 PolarHBondContact O-N 3.4Å; H219-K223 VanDerWaalsContact O-N 3.13Å; H220-K223 PolarHBondContact O-N 3.04Å; H220-K223 VanDerWaalsContact O-N 3.16Å; L221-K223 PolarHBondContact O-N 3.34Å |
| 224 | I | 95 | Very high | 97.2 | Very high | 48 Ų | 48 | 23.7 Ų | 23.7 | 25% | 0.246 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -75.7 | -39.4 | 178.1 | -69.8 | 163.5 | 0 | 0 | 0 | 110.7 | I169 L195 H220 L221 | I169-I224 HydrophobicContact CD1-CD1 4.11Å; I169-I224 HydrophobicContact CG2-CG2 4.37Å; L195-I224 HydrophobicContact CD2-CD1 4.13Å; H220-I224 WeakPolarHBondContact O-CB 3.38Å; H220-I224 WeakPolarHBondContact O-CD1 3.46Å; H220-I224 WeakPolarHBondContact O-CG1 3.3Å; H220-I224 PolarHBondContact O-N 2.61Å; L221-I224 PolarHBondContact O-N 3.39Å |
| 225 | Y | 93.6 | Very high | 96.9 | Very high | 39 Ų | 39 | 26 Ų | 26 | 15% | 0.153 | 15% | 0.149 | C | C | . | . | trans | -113.3 | 141.8 | -175.4 | -58.8 | -62 | 0 | 0 | 0 | 111.6 | M167 L221 A222 S227 C344 | M167-Y225 VanDerWaalsContact CE-OH 3.31Å; M167-Y225 WeakPolarHBondContact CE-OH 3.45Å; L221-Y225 HydrophobicContact CD2-CD2 4.41Å; L221-Y225 HydrophobicContact CD2-CE2 4.02Å; L221-Y225 WeakPolarHBondContact O-CD2 3.46Å; L221-Y225 PolarHBondContact O-N 3.31Å; A222-Y225 VanDerWaalsContact O-O 3.05Å; Y225-S227 VanDerWaalsContact C-N 3.3Å; Y225-C344 WeakPolarHBondContact CD2-SG 3.44Å; Y225-C344 WeakPolarHBondContact CE2-SG 3.23Å | ||
| 226 | S | 89.1 | Confident | 96.6 | Very high | 136 Ų | 136 | 28.9 Ų | 28.9 | 95% | 0.951 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -81.3 | -7.6 | 175.4 | 56.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 227 | S | 93.4 | Very high | 96.2 | Very high | 36 Ų | 36 | 34.3 Ų | 34.3 | 25% | 0.252 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -91.5 | 144.6 | 176.5 | 59 | 0 | 0 | 0 | 0 | 110.7 | Y225 | Y225-S227 VanDerWaalsContact C-N 3.3Š|
| 228 | P | 98.1 | Very high | 96 | Very high | 17 Ų | 17 | 34.8 Ų | 34.8 | 11% | 0.11 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -56 | 140.3 | 177.9 | -19.8 | 27.7 | 0 | 0 | 0 | 112.5 | A322 D323 V325 M340 F342 | P228-A322 WeakPolarHBondContact CB-O 3.39Å; P228-A322 WeakPolarHBondContact CG-O 3.16Å; P228-D323 WeakPolarHBondContact CA-O 3.26Å; P228-V325 HydrophobicContact CB-CG2 4.34Å; P228-M340 HydrophobicContact CG-CE 4.1Å; P228-F342 HydrophobicContact CB-CE1 4.31Å |
| 229 | V | 98.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 131.6 | 171.3 | -177 | 0 | 0 | 0 | 0 | 108.9 | V218 L221 A222 V231 D323 V324 V325 C344 | V218-V229 HydrophobicContact CG1-CB 4.39Å; V218-V229 HydrophobicContact CG1-CG1 4.27Å; V218-V229 HydrophobicContact CG2-CG1 4.44Å; L221-V229 HydrophobicContact CB-CG2 3.85Å; A222-V229 HydrophobicContact CB-CG2 4.04Å; V229-V231 HydrophobicContact CG1-CG2 4.22Å; V229-D323 PolarHBondContact N-O 3.4Å; V229-V324 HydrophobicContact CB-CG2 4.48Å; V229-V324 WeakPolarHBondContact O-CA 3.24Å; V229-V324 WeakPolarHBondContact O-CG1 3.3Å; V229-V325 PolarHBondContact O-N 3.38Å; V229-C344 HydrophobicContact CG1-CB 4.1Å; V229-C344 HydrophobicContact CG2-CB 4.34Å |
| 230 | L | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 125.9 | 171.9 | -175.3 | 61.9 | 0 | 0 | 0 | 109.8 | V325 A332 F342 C344 V345 L346 P361 | L230-V325 HydrophobicContact CD1-CB 4.35Å; L230-V325 HydrophobicContact CD1-CG1 4.31Å; L230-A332 HydrophobicContact CD2-CB 4.13Å; L230-F342 HydrophobicContact CB-CB 3.66Å; L230-F342 HydrophobicContact CB-CD1 3.59Å; L230-F342 HydrophobicContact CB-CD2 4.16Å; L230-F342 HydrophobicContact CB-CE1 4.21Å; L230-F342 HydrophobicContact CB-CG 3.54Å; L230-F342 HydrophobicContact CD1-CD1 4.45Å; L230-F342 HydrophobicContact CD1-CD2 4.42Å; L230-F342 HydrophobicContact CD1-CE1 4.26Å; L230-F342 HydrophobicContact CD1-CE2 4.25Å; L230-F342 HydrophobicContact CD1-CZ 4.15Å; L230-F342 HydrophobicContact CD2-CB 4.23Å; L230-F342 HydrophobicContact CD2-CD2 3.77Å; L230-F342 HydrophobicContact CD2-CE2 4.25Å; L230-F342 HydrophobicContact CD2-CG 3.99Å; L230-F342 HydrophobicContact CG-CD1 4.45Å; L230-F342 HydrophobicContact CG-CD2 4.35Å; L230-F342 HydrophobicContact CG-CG 4.23Å; L230-C344 PolarHBondContact N-O 2.89Å; L230-V345 HydrophobicContact CB-CG2 4.26Å; L230-V345 HydrophobicContact CD2-CG1 4.46Å; L230-V345 HydrophobicContact CD2-CG2 4.31Å; L230-V345 WeakPolarHBondContact O-CA 3.2Å; L230-L346 PolarHBondContact O-N 3.28Å; L230-P361 HydrophobicContact CD2-CB 3.57Å; L230-P361 HydrophobicContact CG-CB 4.48Å |
| 231 | V | 98.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 122.5 | 177.7 | 175.7 | 0 | 0 | 0 | 0 | 109.1 | V218 V229 L242 I246 V324 V325 C326 C327 L346 | V218-V231 HydrophobicContact CB-CG2 4.45Å; V218-V231 HydrophobicContact CG1-CG2 4.02Å; V218-V231 HydrophobicContact CG2-CG2 3.52Å; V229-V231 HydrophobicContact CG1-CG2 4.22Å; V231-L242 HydrophobicContact CG1-CD2 3.22Å; V231-L242 HydrophobicContact CG1-CG 3.76Å; V231-I246 HydrophobicContact CB-CD1 4.37Å; V231-I246 HydrophobicContact CG1-CD1 4.03Å; V231-I246 HydrophobicContact CG2-CD1 3.95Å; V231-V324 HydrophobicContact CB-CG1 4.18Å; V231-V324 HydrophobicContact CG2-CG1 3.57Å; V231-V325 PolarHBondContact N-O 3.09Å; V231-C326 VanDerWaalsContact O-CA 3.31Å; V231-C326 WeakPolarHBondContact O-CA 3.4Å; V231-C327 PolarHBondContact O-N 3.33Å; V231-L346 CarbonylContact C-O 3.53Å; V231-L346 WeakPolarHBondContact CA-O 3.45Å; V231-L346 HydrophobicContact CG1-CD2 4.34Å |
| 232 | C | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 156.6 | -177.3 | -67.7 | 0 | 0 | 0 | 0 | 113 | C327 L346 I347 D348 P361 | C232-C327 WeakPolarHBondContact CA-O 3.23Å; C232-L346 PolarHBondContact N-O 2.86Å; C232-I347 HydrophobicContact CB-CG1 4.36Å; C232-I347 CarbonylContact O-C 3.43Å; C232-I347 VanDerWaalsContact O-CA 3.32Å; C232-I347 WeakPolarHBondContact O-CA 3.49Å; C232-D348 PolarHBondContact O-N 3.21Å; C232-P361 HydrophobicContact CB-CB 4.4Å; C232-P361 HydrophobicContact CB-CG 4.25Å |
| 233 | A | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 159.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | S235 A238 V239 T328 C329 D348 | A233-S235 VanDerWaalsContact C-N 3.32Å; A233-S235 PolarHBondContact O-N 3.48Å; A233-A238 HydrophobicContact CB-CB 3.64Å; A233-V239 HydrophobicContact CB-CG2 3.74Å; A233-T328 CarbonylContact O-C 3.46Å; A233-T328 WeakPolarHBondContact O-CA 3.22Å; A233-C329 PolarHBondContact O-N 3.17Å; A233-D348 WeakPolarHBondContact CA-O 3.35Å; A233-D348 WeakPolarHBondContact CB-O 3.2Å |
| 234 | P | 95.8 | Very high | 95.9 | Very high | 27 Ų | 27 | 34 Ų | 34 | 18% | 0.175 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -68.1 | -28.8 | -179.4 | 19.4 | -26.9 | 0 | 0 | 0 | 113.5 | D348 E349 Q352 A353 | P234-D348 VanDerWaalsContact CD-O 3.28Å; P234-D348 WeakPolarHBondContact CD-O 3.42Å; P234-E349 HydrophobicContact CG-CB 4.27Å; P234-E349 WeakPolarHBondContact CG-O 3.45Å; P234-Q352 HydrophobicContact CG-CB 3.85Å; P234-A353 HydrophobicContact CB-CB 4.04Å; P234-A353 HydrophobicContact CG-CB 4.28Å |
| 235 | S | 92.4 | Very high | 96.1 | Very high | 48 Ų | 48 | 34.2 Ų | 34.2 | 34% | 0.336 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -116.2 | 145.8 | -176.7 | 76.6 | 0 | 0 | 0 | 0 | 112.7 | A233 I237 A238 V239 | A233-S235 VanDerWaalsContact C-N 3.32Å; A233-S235 PolarHBondContact O-N 3.48Å; S235-I237 VanDerWaalsContact C-N 3.25Å; S235-I237 PolarHBondContact O-N 3.33Å; S235-A238 PolarHBondContact O-N 3.13Å; S235-A238 WeakPolarHBondContact OG-CB 3.26Å; S235-A238 PolarHBondContact OG-N 3.23Å; S235-V239 WeakPolarHBondContact O-CG2 3.31Å; S235-V239 PolarHBondContact O-N 3.39Å; S235-V239 VanDerWaalsContact O-N 3.08Å |
| 236 | N | 92.3 | Very high | 96.3 | Very high | 61 Ų | 61 | 32.3 Ų | 32.3 | 33% | 0.326 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -58.5 | -39.3 | 177.3 | -71.2 | -68.6 | 0 | 0 | 0 | 111.9 | A238 V239 D240 R255 T328 | N236-A238 VanDerWaalsContact C-N 3.33Å; N236-A238 PolarHBondContact O-N 3.47Å; N236-V239 PolarHBondContact O-N 3.06Å; N236-D240 WeakPolarHBondContact O-CB 3.35Å; N236-D240 PolarHBondContact O-N 2.85Å; N236-R255 PolarHBondContact OD1-NH2 3.29Å; N236-T328 WeakPolarHBondContact OD1-CG2 3.26Å |
| 237 | I | 91.4 | Very high | 96.8 | Very high | 116 Ų | 116 | 29.3 Ų | 29.3 | 60% | 0.595 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -58.6 | -45.5 | 178.2 | -63.9 | 170 | 0 | 0 | 0 | 110.7 | S235 D240 Q241 | S235-I237 VanDerWaalsContact C-N 3.25Å; S235-I237 PolarHBondContact O-N 3.33Å; I237-D240 PolarHBondContact O-N 2.95Å; I237-Q241 WeakPolarHBondContact O-CG 3.3Å; I237-Q241 PolarHBondContact O-N 2.96Å |
| 238 | A | 94.3 | Very high | 97 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 7% | 0.074 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -65.4 | -41.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A233 S235 N236 D240 L242 E349 | A233-A238 HydrophobicContact CB-CB 3.64Å; S235-A238 PolarHBondContact O-N 3.13Å; S235-A238 WeakPolarHBondContact OG-CB 3.26Å; S235-A238 PolarHBondContact OG-N 3.23Å; N236-A238 VanDerWaalsContact C-N 3.33Å; N236-A238 PolarHBondContact O-N 3.47Å; A238-D240 VanDerWaalsContact C-N 3.31Å; A238-D240 PolarHBondContact O-N 2.89Å; A238-L242 WeakPolarHBondContact O-CB 3.48Å; A238-L242 PolarHBondContact O-N 3.39Å; A238-L242 VanDerWaalsContact O-N 3.09Å; A238-E349 HydrophobicContact CB-CG 4.42Å |
| 239 | V | 97.6 | Very high | 97 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61 | -42.6 | 175.2 | -176 | 0 | 0 | 0 | 0 | 110.9 | A233 S235 N236 L242 A243 R255 C326 C327 T328 | A233-V239 HydrophobicContact CB-CG2 3.74Å; S235-V239 WeakPolarHBondContact O-CG2 3.31Å; S235-V239 PolarHBondContact O-N 3.39Å; S235-V239 VanDerWaalsContact O-N 3.08Å; N236-V239 PolarHBondContact O-N 3.06Å; V239-L242 PolarHBondContact O-N 3.12Å; V239-A243 VanDerWaalsContact O-CB 3.23Å; V239-A243 WeakPolarHBondContact O-CB 3.3Å; V239-A243 PolarHBondContact O-N 2.91Å; V239-R255 VanDerWaalsContact CG1-NE 3.26Å; V239-C326 HydrophobicContact CG1-CB 3.77Å; V239-C327 VanDerWaalsContact CG2-O 3.3Å; V239-C327 WeakPolarHBondContact CG2-O 3.4Å; V239-T328 HydrophobicContact CG2-CG2 4.05Å |
| 240 | D | 96.8 | Very high | 96.9 | Very high | 23 Ų | 23 | 36.4 Ų | 36.4 | 12% | 0.123 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.5 | -45.4 | -176.6 | -67 | -5.3 | 0 | 0 | 0 | 111.2 | N236 I237 A238 L242 A243 E244 R255 V268 | N236-D240 WeakPolarHBondContact O-CB 3.35Å; N236-D240 PolarHBondContact O-N 2.85Å; I237-D240 PolarHBondContact O-N 2.95Å; A238-D240 VanDerWaalsContact C-N 3.31Å; A238-D240 PolarHBondContact O-N 2.89Å; D240-L242 VanDerWaalsContact C-N 3.3Å; D240-L242 PolarHBondContact O-N 3.15Å; D240-A243 PolarHBondContact O-N 3.15Å; D240-E244 WeakPolarHBondContact O-CB 3.49Å; D240-E244 PolarHBondContact O-N 2.85Å; D240-R255 IonicContact OD1-CZ 2.84Å; D240-R255 IonicContact OD1-NE 3.86Å; D240-R255 PolarHBondContact OD1-NE 3.35Å; D240-R255 IonicContact OD1-NH2 3.58Å; D240-R255 PolarHBondContact OD1-NH2 3.17Å; D240-V268 HydrophobicContact CB-CG2 3.57Å |
| 241 | Q | 95.7 | Very high | 96.9 | Very high | 88 Ų | 88 | 36.6 Ų | 36.6 | 41% | 0.411 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -57.8 | -43.8 | 174.2 | -73.1 | 176 | -8.3 | 0 | 0 | 111.8 | I237 K245 | I237-Q241 WeakPolarHBondContact O-CG 3.3Å; I237-Q241 PolarHBondContact O-N 2.96Å; Q241-K245 WeakPolarHBondContact O-CG 3.25Å; Q241-K245 PolarHBondContact O-N 2.92Å |
| 242 | L | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -71.2 | -41.9 | 179.5 | -177.1 | 52.8 | 0 | 0 | 0 | 112 | T211 A215 V231 A238 V239 D240 E244 K245 I246 L346 D348 | T211-L242 HydrophobicContact CG2-CB 4.04Å; T211-L242 HydrophobicContact CG2-CD1 3.75Å; T211-L242 HydrophobicContact CG2-CG 4.47Å; A215-L242 HydrophobicContact CB-CD1 4.21Å; V231-L242 HydrophobicContact CG1-CD2 3.22Å; V231-L242 HydrophobicContact CG1-CG 3.76Å; A238-L242 WeakPolarHBondContact O-CB 3.48Å; A238-L242 PolarHBondContact O-N 3.39Å; A238-L242 VanDerWaalsContact O-N 3.09Å; V239-L242 PolarHBondContact O-N 3.12Å; D240-L242 VanDerWaalsContact C-N 3.3Å; D240-L242 PolarHBondContact O-N 3.15Å; L242-E244 VanDerWaalsContact C-N 3.31Å; L242-E244 PolarHBondContact O-N 3.48Å; L242-K245 PolarHBondContact O-N 3.47Å; L242-I246 HydrophobicContact CD1-CD1 3.92Å; L242-I246 HydrophobicContact CD1-CG1 4.12Å; L242-I246 HydrophobicContact CG-CD1 3.76Å; L242-I246 HydrophobicContact CG-CG1 4.44Å; L242-I246 WeakPolarHBondContact O-CD1 3.49Å; L242-I246 VanDerWaalsContact O-CG1 3.25Å; L242-I246 WeakPolarHBondContact O-CG1 3.27Å; L242-I246 PolarHBondContact O-N 2.89Å; L242-L346 HydrophobicContact CD2-CD2 3.9Å; L242-D348 HydrophobicContact CD2-CB 3.65Å |
| 243 | A | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.4 | -42.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V239 D240 I246 H247 V253 L271 C326 | V239-A243 VanDerWaalsContact O-CB 3.23Å; V239-A243 WeakPolarHBondContact O-CB 3.3Å; V239-A243 PolarHBondContact O-N 2.91Å; D240-A243 PolarHBondContact O-N 3.15Å; A243-I246 PolarHBondContact O-N 3.22Å; A243-H247 VanDerWaalsContact O-CB 3.31Å; A243-H247 WeakPolarHBondContact O-CB 3.37Å; A243-H247 PolarHBondContact O-N 2.97Å; A243-V253 HydrophobicContact CB-CG1 4.21Å; A243-L271 HydrophobicContact CB-CD1 4.28Å; A243-C326 HydrophobicContact CB-CB 4.08Å |
| 244 | E | 98.2 | Very high | 96.9 | Very high | 63 Ų | 63 | 43.5 Ų | 43.5 | 29% | 0.294 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60.1 | -47 | 175.7 | -162.7 | -164.7 | 159 | 0 | 0 | 111.6 | D240 L242 H247 R248 V268 | D240-E244 WeakPolarHBondContact O-CB 3.49Å; D240-E244 PolarHBondContact O-N 2.85Å; L242-E244 VanDerWaalsContact C-N 3.31Å; L242-E244 PolarHBondContact O-N 3.48Å; E244-H247 PolarHBondContact O-N 3.37Å; E244-R248 WeakPolarHBondContact O-CG 3.33Å; E244-R248 PolarHBondContact O-N 2.69Å; E244-R248 VanDerWaalsContact O-N 3.12Å; E244-R248 IonicContact OE1-CZ 2.85Å; E244-R248 IonicContact OE1-NE 3.68Å; E244-R248 IonicContact OE1-NH2 3.54Å; E244-R248 PolarHBondContact OE1-NH2 2.92Å; E244-V268 HydrophobicContact CB-CG1 3.64Å; E244-V268 HydrophobicContact CG-CG1 4.08Å |
| 245 | K | 98.3 | Very high | 97 | Very high | 53 Ų | 53 | 42.4 Ų | 42.4 | 23% | 0.23 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.5 | -41.5 | 178.7 | -66.6 | -61.6 | -178.1 | -172.4 | 0 | 112.1 | L180 T211 A215 Q241 L242 H247 R248 | L180-K245 HydrophobicContact CD2-CB 4.19Å; L180-K245 HydrophobicContact CD2-CD 4.16Å; T211-K245 HydrophobicContact CG2-CB 4.37Å; T211-K245 HydrophobicContact CG2-CG 3.88Å; A215-K245 HydrophobicContact CB-CB 3.71Å; Q241-K245 WeakPolarHBondContact O-CG 3.25Å; Q241-K245 PolarHBondContact O-N 2.92Å; L242-K245 PolarHBondContact O-N 3.47Å; K245-H247 VanDerWaalsContact C-N 3.35Å; K245-R248 PolarHBondContact O-N 2.73Å |
| 246 | I | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.1 | -43.7 | 176.9 | -64.9 | 160.9 | 0 | 0 | 0 | 110.1 | A215 V218 V231 L242 A243 R248 T249 L251 V253 V324 | A215-I246 HydrophobicContact CB-CG1 3.83Å; V218-I246 HydrophobicContact CB-CD1 4.24Å; V218-I246 HydrophobicContact CB-CG1 4.25Å; V218-I246 HydrophobicContact CG1-CD1 3.97Å; V218-I246 HydrophobicContact CG1-CG1 4.14Å; V218-I246 HydrophobicContact CG1-CG2 3.95Å; V218-I246 HydrophobicContact CG2-CD1 4.17Å; V231-I246 HydrophobicContact CB-CD1 4.37Å; V231-I246 HydrophobicContact CG1-CD1 4.03Å; V231-I246 HydrophobicContact CG2-CD1 3.95Å; L242-I246 HydrophobicContact CD1-CD1 3.92Å; L242-I246 HydrophobicContact CD1-CG1 4.12Å; L242-I246 HydrophobicContact CG-CD1 3.76Å; L242-I246 HydrophobicContact CG-CG1 4.44Å; L242-I246 WeakPolarHBondContact O-CD1 3.49Å; L242-I246 VanDerWaalsContact O-CG1 3.25Å; L242-I246 WeakPolarHBondContact O-CG1 3.27Å; L242-I246 PolarHBondContact O-N 2.89Å; A243-I246 PolarHBondContact O-N 3.22Å; I246-R248 VanDerWaalsContact C-N 3.28Å; I246-R248 PolarHBondContact O-N 2.79Å; I246-T249 WeakPolarHBondContact O-CB 3.43Å; I246-T249 PolarHBondContact O-N 2.92Å; I246-T249 PolarHBondContact O-OG1 2.81Å; I246-L251 HydrophobicContact CG2-CB 4.35Å; I246-L251 HydrophobicContact CG2-CD1 3.81Å; I246-V253 HydrophobicContact CB-CG2 4.09Å; I246-V253 HydrophobicContact CG2-CG2 3.53Å; I246-V324 HydrophobicContact CD1-CG1 4.31Å; I246-V324 HydrophobicContact CG2-CB 4.34Å; I246-V324 HydrophobicContact CG2-CG1 4.4Å; I246-V324 HydrophobicContact CG2-CG2 3.9Å |
| 247 | H | 98.6 | Very high | 97.4 | Very high | 73 Ų | 73 | 38.1 Ų | 38.1 | 34% | 0.338 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -59 | -38.8 | 178.7 | 175.6 | 60 | 0 | 0 | 0 | 112.5 | A243 E244 K245 T249 G250 V253 F270 L271 | A243-H247 VanDerWaalsContact O-CB 3.31Å; A243-H247 WeakPolarHBondContact O-CB 3.37Å; A243-H247 PolarHBondContact O-N 2.97Å; E244-H247 PolarHBondContact O-N 3.37Å; K245-H247 VanDerWaalsContact C-N 3.35Å; H247-T249 PolarHBondContact O-N 3.34Å; H247-G250 PolarHBondContact O-N 2.87Å; H247-V253 HydrophobicContact CB-CG2 4.14Å; H247-F270 AromaticContact CD2-CE2 3.74Å; H247-F270 AromaticContact CD2-CZ 3.69Å; H247-F270 AromaticContact NE2-CE2 3.48Å; H247-F270 WeakPolarHBondContact NE2-CE2 3.49Å; H247-F270 AromaticContact NE2-CZ 3.86Å; H247-L271 HydrophobicContact CB-CD1 3.67Å; H247-L271 HydrophobicContact CB-CD2 4.18Å |
| 248 | R | 98.5 | Very high | 97.3 | Very high | 122 Ų | 122 | 34.6 Ų | 34.6 | 46% | 0.46 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -18.8 | 175.3 | -69.8 | 174.1 | -174 | -155.5 | 0.6 | 114.1 | E244 K245 I246 G250 | E244-R248 WeakPolarHBondContact O-CG 3.33Å; E244-R248 PolarHBondContact O-N 2.69Å; E244-R248 VanDerWaalsContact O-N 3.12Å; E244-R248 IonicContact OE1-CZ 2.85Å; E244-R248 IonicContact OE1-NE 3.68Å; E244-R248 IonicContact OE1-NH2 3.54Å; E244-R248 PolarHBondContact OE1-NH2 2.92Å; K245-R248 PolarHBondContact O-N 2.73Å; I246-R248 VanDerWaalsContact C-N 3.28Å; I246-R248 PolarHBondContact O-N 2.79Å; R248-G250 VanDerWaalsContact C-N 3.25Å; R248-G250 PolarHBondContact O-N 2.78Å |
| 249 | T | 98.1 | Very high | 96.8 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 10% | 0.104 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -5.1 | 175 | 75.7 | 0 | 0 | 0 | 0 | 113.8 | V177 L180 H219 I246 H247 L251 | V177-T249 HydrophobicContact CG1-CG2 3.71Å; L180-T249 HydrophobicContact CD1-CG2 3.57Å; L180-T249 HydrophobicContact CG-CG2 3.85Å; H219-T249 HydrophobicContact CB-CG2 4.33Å; H219-T249 WeakPolarHBondContact ND1-CB 3.47Å; H219-T249 PolarHBondContact ND1-OG1 3.12Å; I246-T249 WeakPolarHBondContact O-CB 3.43Å; I246-T249 PolarHBondContact O-N 2.92Å; I246-T249 PolarHBondContact O-OG1 2.81Å; H247-T249 PolarHBondContact O-N 3.34Å; T249-L251 WeakPolarHBondContact OG1-CG 3.29Å |
| 250 | G | 97.8 | Very high | 96 | Very high | 63 Ų | 63 | 42.7 Ų | 42.7 | 65% | 0.649 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 86.1 | 11.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | H247 R248 | H247-G250 PolarHBondContact O-N 2.87Å; R248-G250 VanDerWaalsContact C-N 3.25Å; R248-G250 PolarHBondContact O-N 2.78Å |
| 251 | L | 98.4 | Very high | 95.2 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | trans | -77.8 | 151.2 | 174 | -65.3 | 173.6 | 0 | 0 | 0 | 111.8 | V218 H219 A222 I246 T249 V253 D323 V324 | V218-L251 HydrophobicContact CG1-CD1 4.46Å; H219-L251 HydrophobicContact CB-CD1 4.17Å; A222-L251 HydrophobicContact CB-CD1 4.01Å; A222-L251 HydrophobicContact CB-CD2 4.06Å; I246-L251 HydrophobicContact CG2-CB 4.35Å; I246-L251 HydrophobicContact CG2-CD1 3.81Å; T249-L251 WeakPolarHBondContact OG1-CG 3.29Å; L251-V253 HydrophobicContact CB-CG2 4.46Å; L251-V253 PolarHBondContact O-N 3Å; L251-V253 VanDerWaalsContact O-N 3.17Å; L251-D323 WeakPolarHBondContact CA-OD2 3.43Å; L251-D323 HydrophobicContact CB-CB 4.1Å; L251-D323 HydrophobicContact CD2-CB 4.05Å; L251-V324 HydrophobicContact CD1-CG2 3.88Å | ||
| 252 | K | 98.1 | Very high | 94.7 | Very high | 138 Ų | 138 | 42 Ų | 42 | 60% | 0.6 | 22% | 0.216 | S | C | * | . | trans | -76.1 | 97.2 | 170.3 | -64.6 | 178.9 | -175.9 | 176.1 | 0 | 109.9 | D323 V324 | K252-D323 HydrophobicContact CB-CB 4.42Å; K252-D323 PolarHBondContact N-OD2 2.91Å; K252-D323 PolarHBondContact O-N 3.22Å; K252-V324 PolarHBondContact O-N 2.93Å; K252-V324 VanDerWaalsContact O-N 3.16Å | ||
| 253 | V | 98.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 2% | 0.018 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 132.1 | 179.8 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | A243 I246 H247 L251 L271 Q276 V324 | A243-V253 HydrophobicContact CB-CG1 4.21Å; I246-V253 HydrophobicContact CB-CG2 4.09Å; I246-V253 HydrophobicContact CG2-CG2 3.53Å; H247-V253 HydrophobicContact CB-CG2 4.14Å; L251-V253 HydrophobicContact CB-CG2 4.46Å; L251-V253 PolarHBondContact O-N 3Å; L251-V253 VanDerWaalsContact O-N 3.17Å; V253-L271 HydrophobicContact CB-CD1 4.41Å; V253-L271 HydrophobicContact CB-CD2 4.49Å; V253-L271 HydrophobicContact CG1-CD1 4.32Å; V253-Q276 PolarHBondContact O-NE2 2.67Å; V253-V324 HydrophobicContact CG2-CB 4.42Å |
| 254 | V | 98.7 | Very high | 92.8 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 2% | 0.024 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 116.2 | 169.8 | 175.1 | 0 | 0 | 0 | 0 | 109.3 | L273 L319 A322 V324 V325 C326 | V254-L273 HydrophobicContact CG1-CB 3.93Å; V254-L273 HydrophobicContact CG1-CD1 3.89Å; V254-L273 HydrophobicContact CG1-CG 4.43Å; V254-L319 HydrophobicContact CG1-CD2 3.79Å; V254-A322 HydrophobicContact CB-CB 4.14Å; V254-A322 HydrophobicContact CG2-CB 3.62Å; V254-V324 PolarHBondContact N-O 3.39Å; V254-V325 CarbonylContact O-C 3.57Å; V254-V325 WeakPolarHBondContact O-CA 3.48Å; V254-C326 PolarHBondContact O-N 2.89Å |
| 255 | R | 98.2 | Very high | 92.2 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 1% | 0.011 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 108.2 | 176.2 | 174.5 | 63.8 | 174.5 | 97.4 | 4.3 | 110.3 | N236 V239 D240 L271 S272 L273 C326 | N236-R255 PolarHBondContact OD1-NH2 3.29Å; V239-R255 VanDerWaalsContact CG1-NE 3.26Å; D240-R255 IonicContact OD1-CZ 2.84Å; D240-R255 IonicContact OD1-NE 3.86Å; D240-R255 PolarHBondContact OD1-NE 3.35Å; D240-R255 IonicContact OD1-NH2 3.58Å; D240-R255 PolarHBondContact OD1-NH2 3.17Å; R255-L271 HydrophobicContact CB-CB 4.19Å; R255-L271 PolarHBondContact N-O 2.89Å; R255-S272 CarbonylContact O-C 3.52Å; R255-S272 WeakPolarHBondContact O-CA 3.43Å; R255-L273 PolarHBondContact O-N 3.39Å; R255-C326 CarbonylContact C-O 3.58Å; R255-C326 WeakPolarHBondContact CA-O 3.38Å; R255-C326 WeakPolarHBondContact CD-O 3.44Å |
| 256 | L | 98.1 | Very high | 91.7 | Very high | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | trans | -91.4 | 107.6 | 179.1 | 179.3 | 69.6 | 0 | 0 | 0 | 110.7 | L273 V325 C326 C327 D334 R336 I337 | L256-L273 HydrophobicContact CD1-CD2 3.61Å; L256-V325 HydrophobicContact CB-CG1 4.48Å; L256-C326 PolarHBondContact N-O 2.86Å; L256-C327 HydrophobicContact CB-CB 4.08Å; L256-C327 WeakPolarHBondContact O-CB 3.48Å; L256-D334 HydrophobicContact CD2-CB 4.03Å; L256-R336 VanDerWaalsContact CD1-CZ 3.42Å; L256-I337 HydrophobicContact CD2-CB 4.49Å; L256-I337 HydrophobicContact CD2-CD1 3.93Å; L256-I337 HydrophobicContact CD2-CG1 4.09Å; L256-I337 HydrophobicContact CD2-CG2 3.65Å | ||
| 257 | C | 94 | Very high | 91.4 | Very high | 16 Ų | 16 | 59.1 Ų | 59.1 | 11% | 0.108 | 33% | 0.328 | C | S | . | . | trans | -97.3 | 152.1 | 174.8 | -60.3 | 0 | 0 | 0 | 0 | 110.8 | R336 | C257-R336 PolarHBondContact O-NH2 2.62Š| ||
| 258 | A | 89.1 | Confident | 91.3 | Very high | 42 Ų | 42 | 55.6 Ų | 55.6 | 35% | 0.347 | 31% | 0.312 | S | S | . | . | trans | -59.7 | 144 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | S260 R261 E262 | A258-S260 PolarHBondContact O-N 2.91Å; A258-S260 VanDerWaalsContact O-N 3.15Å; A258-R261 HydrophobicContact CB-CG 4.34Å; A258-R261 WeakPolarHBondContact O-CA 3.4Å; A258-R261 WeakPolarHBondContact O-CB 3.43Å; A258-R261 PolarHBondContact O-N 3.31Å; A258-E262 PolarHBondContact O-N 3.33Å | ||
| 259 | K | 85.5 | Confident | 91.1 | Very high | 131 Ų | 131 | 51 Ų | 51 | 57% | 0.57 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -53.5 | -39.1 | -177.1 | -71 | -170.4 | 175.5 | -174.2 | 0 | 113.5 | R261 E262 | K259-R261 PolarHBondContact O-N 3.16Å; K259-E262 PolarHBondContact O-N 3.26Å |
| 260 | S | 79 | Confident | 91 | Very high | 49 Ų | 49 | 54.3 Ų | 54.3 | 34% | 0.343 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -69.4 | -9.3 | 178 | 62.2 | 0 | 0 | 0 | 0 | 114.5 | A258 | A258-S260 PolarHBondContact O-N 2.91Å; A258-S260 VanDerWaalsContact O-N 3.15Å |
| 261 | R | 81.7 | Confident | 91 | Very high | 64 Ų | 64 | 51.5 Ų | 51.5 | 24% | 0.242 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -111.2 | -1.3 | -179.7 | -61.6 | -80.3 | -177.4 | -173.2 | -14 | 112.1 | Q71 D73 A258 K259 A263 I264 | Q71-R261 PolarHBondContact O-NH1 3.05Å; D73-R261 IonicContact OD1-NH2 3.51Å; D73-R261 PolarHBondContact OD1-NH2 3.31Å; A258-R261 HydrophobicContact CB-CG 4.34Å; A258-R261 WeakPolarHBondContact O-CA 3.4Å; A258-R261 WeakPolarHBondContact O-CB 3.43Å; A258-R261 PolarHBondContact O-N 3.31Å; K259-R261 PolarHBondContact O-N 3.16Å; R261-A263 PolarHBondContact O-N 2.85Å; R261-I264 HydrophobicContact CB-CD1 4.35Å; R261-I264 HydrophobicContact CG-CD1 4.44Å; R261-I264 PolarHBondContact O-N 3.31Å; R261-I264 VanDerWaalsContact O-N 3.12Å |
| 262 | E | 84.5 | Confident | 91 | Very high | 33 Ų | 33 | 51.4 Ų | 51.4 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -23.2 | -179.1 | -67.7 | -176.4 | 179.8 | 0 | 0 | 112.7 | A258 K259 I264 H274 R311 R336 | A258-E262 PolarHBondContact O-N 3.33Å; K259-E262 PolarHBondContact O-N 3.26Å; E262-I264 VanDerWaalsContact C-N 3.33Å; E262-H274 HydrophobicContact CB-CB 4.39Å; E262-H274 HydrophobicContact CG-CB 4.11Å; E262-H274 WeakPolarHBondContact CG-ND1 3.48Å; E262-H274 PolarHBondContact O-NE2 2.9Å; E262-H274 WeakPolarHBondContact OE2-CB 3.47Å; E262-H274 IonicContact OE2-CG 2.67Å; E262-R311 IonicContact OE1-NH2 3.91Å; E262-R311 IonicContact OE2-CZ 2.77Å; E262-R311 IonicContact OE2-NH2 2.61Å; E262-R311 PolarHBondContact OE2-NH2 3.46Å; E262-R336 IonicContact OE1-CZ 3.1Å; E262-R336 IonicContact OE1-NH1 2.96Å; E262-R336 PolarHBondContact OE1-NH1 2.95Å |
| 263 | A | 75.4 | Confident | 91 | Very high | 100 Ų | 100 | 44.8 Ų | 44.8 | 83% | 0.826 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -7.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | R261 | R261-A263 PolarHBondContact O-N 2.85Š|
| 264 | I | 81.4 | Confident | 90.7 | Very high | 52 Ų | 52 | 46.3 Ų | 46.3 | 27% | 0.267 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -86.1 | 122.5 | -177.6 | -57.7 | -178.8 | 0 | 0 | 0 | 108.8 | Q71 R261 E262 | Q71-I264 HydrophobicContact CB-CD1 4.3Å; Q71-I264 WeakPolarHBondContact O-CD1 3.47Å; R261-I264 HydrophobicContact CB-CD1 4.35Å; R261-I264 HydrophobicContact CG-CD1 4.44Å; R261-I264 PolarHBondContact O-N 3.31Å; R261-I264 VanDerWaalsContact O-N 3.12Å; E262-I264 VanDerWaalsContact C-N 3.33Å |
| 265 | E | 84.4 | Confident | 90.5 | Very high | 182 Ų | 182 | 50.4 Ų | 50.4 | 85% | 0.85 | 28% | 0.275 | S | S | * | . | trans | -64.8 | 143.1 | 175.7 | -68.8 | -168.7 | 165.6 | 0 | 0 | 111.8 | ||||
| 266 | S | 89.8 | Confident | 90.4 | Very high | 30 Ų | 30 | 52.4 Ų | 52.4 | 21% | 0.21 | 28% | 0.284 | C | S | . | . | trans | -144.7 | 155.5 | 174.7 | 71.4 | 0 | 0 | 0 | 0 | 109.4 | V268 S269 | S266-V268 PolarHBondContact O-N 3.1Å; S266-S269 PolarHBondContact N-OG 3.37Å; S266-S269 WeakPolarHBondContact O-CB 3.14Å; S266-S269 PolarHBondContact O-N 3.18Å; S266-S269 PolarHBondContact O-OG 3.14Å; S266-S269 VanDerWaalsContact O-OG 3.09Å; S266-S269 PolarHBondContact OG-N 3.29Å; S266-S269 PolarHBondContact OG-OG 3.34Å | ||
| 267 | P | 91.8 | Very high | 90.2 | Very high | 111 Ų | 111 | 52.4 Ų | 52.4 | 72% | 0.721 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -20.3 | 175.8 | -24.6 | 34.8 | 0 | 0 | 0 | 113.9 | ||
| 268 | V | 95.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | 21.2 | -180 | -62.4 | 0 | 0 | 0 | 0 | 112.6 | D240 E244 S266 F270 L271 S272 | D240-V268 HydrophobicContact CB-CG2 3.57Å; E244-V268 HydrophobicContact CB-CG1 3.64Å; E244-V268 HydrophobicContact CG-CG1 4.08Å; S266-V268 PolarHBondContact O-N 3.1Å; V268-F270 PolarHBondContact O-N 2.75Å; V268-F270 VanDerWaalsContact O-N 3.11Å; V268-L271 HydrophobicContact CB-CB 4.4Å; V268-L271 HydrophobicContact CB-CD1 4.03Å; V268-L271 HydrophobicContact CB-CG 4.32Å; V268-L271 HydrophobicContact CG1-CD1 4.15Å; V268-L271 WeakPolarHBondContact O-CA 3.38Å; V268-L271 WeakPolarHBondContact O-CB 3.44Å; V268-L271 PolarHBondContact O-N 3.43Å; V268-S272 PolarHBondContact O-N 2.84Å |
| 269 | S | 95.1 | Very high | 90.1 | Very high | 24 Ų | 24 | 60.4 Ų | 60.4 | 17% | 0.168 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -56 | -32.3 | 179.6 | -75.3 | 0 | 0 | 0 | 0 | 111.9 | S266 L271 S272 Y275 | S266-S269 PolarHBondContact N-OG 3.37Å; S266-S269 WeakPolarHBondContact O-CB 3.14Å; S266-S269 PolarHBondContact O-N 3.18Å; S266-S269 PolarHBondContact O-OG 3.14Å; S266-S269 VanDerWaalsContact O-OG 3.09Å; S266-S269 PolarHBondContact OG-N 3.29Å; S266-S269 PolarHBondContact OG-OG 3.34Å; S269-L271 PolarHBondContact O-N 3.41Å; S269-S272 WeakPolarHBondContact O-CB 3.49Å; S269-S272 PolarHBondContact O-N 3.23Å; S269-S272 PolarHBondContact O-OG 3.28Å; S269-Y275 WeakPolarHBondContact O-CB 3.42Å |
| 270 | F | 96.6 | Very high | 90.3 | Very high | 87 Ų | 87 | 56.4 Ų | 56.4 | 38% | 0.382 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -63.7 | -22.4 | 175 | 74.4 | -85.2 | 0 | 0 | 0 | 114.3 | H247 V268 Y275 Q276 | H247-F270 AromaticContact CD2-CE2 3.74Å; H247-F270 AromaticContact CD2-CZ 3.69Å; H247-F270 AromaticContact NE2-CE2 3.48Å; H247-F270 WeakPolarHBondContact NE2-CE2 3.49Å; H247-F270 AromaticContact NE2-CZ 3.86Å; V268-F270 PolarHBondContact O-N 2.75Å; V268-F270 VanDerWaalsContact O-N 3.11Å; F270-Y275 VanDerWaalsContact CA-CD1 3.47Å; F270-Y275 HydrophobicContact CB-CD1 4.2Å; F270-Y275 HydrophobicContact CB-CE1 3.9Å; F270-Q276 WeakPolarHBondContact O-CG 3.35Å |
| 271 | L | 97.9 | Very high | 90.7 | Very high | 5 Ų | 5 | 62.7 Ų | 62.7 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -84.9 | -12.1 | 172.7 | -59.4 | -178.5 | 0 | 0 | 0 | 112.6 | A243 H247 V253 R255 V268 S269 Q276 | A243-L271 HydrophobicContact CB-CD1 4.28Å; H247-L271 HydrophobicContact CB-CD1 3.67Å; H247-L271 HydrophobicContact CB-CD2 4.18Å; V253-L271 HydrophobicContact CB-CD1 4.41Å; V253-L271 HydrophobicContact CB-CD2 4.49Å; V253-L271 HydrophobicContact CG1-CD1 4.32Å; R255-L271 HydrophobicContact CB-CB 4.19Å; R255-L271 PolarHBondContact N-O 2.89Å; V268-L271 HydrophobicContact CB-CB 4.4Å; V268-L271 HydrophobicContact CB-CD1 4.03Å; V268-L271 HydrophobicContact CB-CG 4.32Å; V268-L271 HydrophobicContact CG1-CD1 4.15Å; V268-L271 WeakPolarHBondContact O-CA 3.38Å; V268-L271 WeakPolarHBondContact O-CB 3.44Å; V268-L271 PolarHBondContact O-N 3.43Å; S269-L271 PolarHBondContact O-N 3.41Å; L271-Q276 PolarHBondContact O-NE2 2.74Å |
| 272 | S | 97.5 | Very high | 91 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.014 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -70.6 | 144.4 | -174.6 | 76 | 0 | 0 | 0 | 0 | 112.1 | R255 V268 S269 H274 Y275 Q276 | R255-S272 CarbonylContact O-C 3.52Å; R255-S272 WeakPolarHBondContact O-CA 3.43Å; V268-S272 PolarHBondContact O-N 2.84Å; S269-S272 WeakPolarHBondContact O-CB 3.49Å; S269-S272 PolarHBondContact O-N 3.23Å; S269-S272 PolarHBondContact O-OG 3.28Å; S272-H274 VanDerWaalsContact C-N 3.29Å; S272-H274 WeakPolarHBondContact CB-CE1 3.25Å; S272-H274 PolarHBondContact O-N 3.41Å; S272-H274 PolarHBondContact OG-CE1 3.43Å; S272-H274 PolarHBondContact OG-ND1 3.07Å; S272-H274 PolarHBondContact OG-NE2 3.19Å; S272-H274 VanDerWaalsContact OG-NE2 3.16Å; S272-Y275 PolarHBondContact O-N 3.42Å; S272-Y275 VanDerWaalsContact O-N 3.17Å; S272-Y275 WeakPolarHBondContact OG-CB 3.24Å; S272-Y275 PolarHBondContact OG-N 3.18Å; S272-Q276 WeakPolarHBondContact O-CG 3.18Å; S272-Q276 PolarHBondContact O-N 2.89Å |
| 273 | L | 97.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.2 | -46.1 | -177.7 | 179.6 | 59.7 | 0 | 0 | 0 | 111.8 | V254 R255 L256 Y275 Q276 I277 E315 L318 L319 | V254-L273 HydrophobicContact CG1-CB 3.93Å; V254-L273 HydrophobicContact CG1-CD1 3.89Å; V254-L273 HydrophobicContact CG1-CG 4.43Å; R255-L273 PolarHBondContact O-N 3.39Å; L256-L273 HydrophobicContact CD1-CD2 3.61Å; L273-Y275 PolarHBondContact O-N 3.4Å; L273-Q276 PolarHBondContact O-N 3.09Å; L273-I277 HydrophobicContact CD1-CD1 4.03Å; L273-I277 HydrophobicContact CD1-CG1 4.46Å; L273-I277 HydrophobicContact CG-CD1 3.97Å; L273-I277 VanDerWaalsContact O-CD1 3.28Å; L273-I277 WeakPolarHBondContact O-CD1 3.04Å; L273-I277 WeakPolarHBondContact O-CG1 3.41Å; L273-I277 PolarHBondContact O-N 2.77Å; L273-I277 VanDerWaalsContact O-N 3.11Å; L273-E315 HydrophobicContact CD1-CG 4.45Å; L273-E315 HydrophobicContact CD2-CB 4.27Å; L273-E315 HydrophobicContact CD2-CG 3.95Å; L273-E315 HydrophobicContact CG-CG 4.17Å; L273-L318 HydrophobicContact CD1-CB 3.95Å; L273-L318 HydrophobicContact CD1-CD1 4.01Å; L273-L319 HydrophobicContact CD1-CG 4.23Å; L273-L319 HydrophobicContact CD2-CD1 3.9Å; L273-L319 HydrophobicContact CD2-CD2 4.37Å; L273-L319 HydrophobicContact CD2-CG 4.14Å |
| 274 | H | 93.1 | Very high | 91.9 | Very high | 35 Ų | 35 | 65.9 Ų | 65.9 | 16% | 0.162 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67 | -36.1 | -178.5 | 64.2 | -88.1 | 0 | 0 | 0 | 112.6 | E262 S272 R278 | E262-H274 HydrophobicContact CB-CB 4.39Å; E262-H274 HydrophobicContact CG-CB 4.11Å; E262-H274 WeakPolarHBondContact CG-ND1 3.48Å; E262-H274 PolarHBondContact O-NE2 2.9Å; E262-H274 WeakPolarHBondContact OE2-CB 3.47Å; E262-H274 IonicContact OE2-CG 2.67Å; S272-H274 VanDerWaalsContact C-N 3.29Å; S272-H274 WeakPolarHBondContact CB-CE1 3.25Å; S272-H274 PolarHBondContact O-N 3.41Å; S272-H274 PolarHBondContact OG-CE1 3.43Å; S272-H274 PolarHBondContact OG-ND1 3.07Å; S272-H274 PolarHBondContact OG-NE2 3.19Å; S272-H274 VanDerWaalsContact OG-NE2 3.16Å; H274-R278 PolarHBondContact O-N 2.81Å |
| 275 | Y | 94.6 | Very high | 92.4 | Very high | 90 Ų | 90 | 68.1 Ų | 68.1 | 35% | 0.353 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.2 | -48.9 | 175 | -172.1 | -78.3 | 0 | 0 | 0 | 110.8 | S269 F270 S272 L273 I277 R278 F279 | S269-Y275 WeakPolarHBondContact O-CB 3.42Å; F270-Y275 VanDerWaalsContact CA-CD1 3.47Å; F270-Y275 HydrophobicContact CB-CD1 4.2Å; F270-Y275 HydrophobicContact CB-CE1 3.9Å; S272-Y275 PolarHBondContact O-N 3.42Å; S272-Y275 VanDerWaalsContact O-N 3.17Å; S272-Y275 WeakPolarHBondContact OG-CB 3.24Å; S272-Y275 PolarHBondContact OG-N 3.18Å; L273-Y275 PolarHBondContact O-N 3.4Å; Y275-I277 PolarHBondContact O-N 2.61Å; Y275-R278 WeakPolarHBondContact O-CA 3.3Å; Y275-R278 WeakPolarHBondContact O-CB 3.44Å; Y275-R278 PolarHBondContact O-N 3.35Å; Y275-F279 AromaticContact CD1-CD2 3.46Å; Y275-F279 HydrophobicContact CD1-CD2 3.46Å; Y275-F279 VanDerWaalsContact CD1-CD2 3.46Å; Y275-F279 AromaticContact CD1-CE2 3.87Å; Y275-F279 HydrophobicContact CD1-CE2 3.87Å; Y275-F279 HydrophobicContact CD1-CG 4.49Å; Y275-F279 HydrophobicContact CD2-CD2 4.25Å; Y275-F279 AromaticContact CD2-CE2 3.82Å; Y275-F279 HydrophobicContact CD2-CE2 3.82Å; Y275-F279 AromaticContact CE1-CD2 3.21Å; Y275-F279 HydrophobicContact CE1-CD2 3.21Å; Y275-F279 AromaticContact CE1-CE2 3.46Å; Y275-F279 HydrophobicContact CE1-CE2 3.46Å; Y275-F279 VanDerWaalsContact CE1-CE2 3.46Å; Y275-F279 HydrophobicContact CE1-CG 4.05Å; Y275-F279 HydrophobicContact CE1-CZ 4.42Å; Y275-F279 HydrophobicContact CE2-CD2 4.04Å; Y275-F279 AromaticContact CE2-CE2 3.4Å; Y275-F279 HydrophobicContact CE2-CE2 3.4Å; Y275-F279 HydrophobicContact CE2-CZ 4.19Å; Y275-F279 AromaticContact CG-CD2 3.99Å; Y275-F279 HydrophobicContact CG-CD2 3.99Å; Y275-F279 HydrophobicContact CG-CE2 4.04Å; Y275-F279 AromaticContact CZ-CD2 3.53Å; Y275-F279 AromaticContact CZ-CE2 3.19Å; Y275-F279 AromaticContact CZ-CZ 3.91Å; Y275-F279 VanDerWaalsContact O-CD2 3.3Å; Y275-F279 WeakPolarHBondContact O-CD2 3.33Å; Y275-F279 PolarHBondContact O-N 2.93Å; Y275-F279 VanDerWaalsContact O-N 3.14Å |
| 276 | Q | 96.2 | Very high | 92.9 | Very high | 44 Ų | 44 | 59.5 Ų | 59.5 | 21% | 0.206 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.6 | -36 | 179.7 | -71.3 | -174.4 | 18.3 | 0 | 0 | 112.5 | V253 F270 L271 S272 L273 F279 L280 L318 | V253-Q276 PolarHBondContact O-NE2 2.67Å; F270-Q276 WeakPolarHBondContact O-CG 3.35Å; L271-Q276 PolarHBondContact O-NE2 2.74Å; S272-Q276 WeakPolarHBondContact O-CG 3.18Å; S272-Q276 PolarHBondContact O-N 2.89Å; L273-Q276 PolarHBondContact O-N 3.09Å; Q276-F279 CarbonylContact O-C 3.58Å; Q276-F279 PolarHBondContact O-N 2.81Å; Q276-L280 WeakPolarHBondContact O-CA 3.47Å; Q276-L280 WeakPolarHBondContact O-CB 3.47Å; Q276-L280 PolarHBondContact O-N 3.24Å; Q276-L318 HydrophobicContact CB-CD1 3.98Å |
| 277 | I | 94.1 | Very high | 93 | Very high | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.015 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.9 | -42 | 173.9 | -69.6 | 162.4 | 0 | 0 | 0 | 111.8 | L273 Y275 F279 L280 L286 C314 E315 L318 | L273-I277 HydrophobicContact CD1-CD1 4.03Å; L273-I277 HydrophobicContact CD1-CG1 4.46Å; L273-I277 HydrophobicContact CG-CD1 3.97Å; L273-I277 VanDerWaalsContact O-CD1 3.28Å; L273-I277 WeakPolarHBondContact O-CD1 3.04Å; L273-I277 WeakPolarHBondContact O-CG1 3.41Å; L273-I277 PolarHBondContact O-N 2.77Å; L273-I277 VanDerWaalsContact O-N 3.11Å; Y275-I277 PolarHBondContact O-N 2.61Å; I277-F279 PolarHBondContact O-N 2.94Å; I277-L280 WeakPolarHBondContact O-CB 3.42Å; I277-L280 PolarHBondContact O-N 3.02Å; I277-L286 HydrophobicContact CG2-CD2 3.6Å; I277-C314 HydrophobicContact CG1-CB 4.45Å; I277-E315 HydrophobicContact CD1-CB 4.23Å; I277-E315 HydrophobicContact CD1-CG 3.19Å; I277-E315 HydrophobicContact CG1-CG 4.49Å; I277-L318 HydrophobicContact CD1-CD1 4.45Å; I277-L318 HydrophobicContact CG1-CD1 3.5Å; I277-L318 VanDerWaalsContact CG1-CD1 3.5Å |
| 278 | R | 91 | Very high | 93 | Very high | 117 Ų | 117 | 61.3 Ų | 61.3 | 44% | 0.442 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.7 | -33.4 | 179.8 | -174.1 | 179.9 | -178.3 | 104.4 | 7.8 | 112 | H274 Y275 L290 D294 | H274-R278 PolarHBondContact O-N 2.81Å; Y275-R278 WeakPolarHBondContact O-CA 3.3Å; Y275-R278 WeakPolarHBondContact O-CB 3.44Å; Y275-R278 PolarHBondContact O-N 3.35Å; R278-L290 HydrophobicContact CB-CD1 4.37Å; R278-L290 HydrophobicContact CG-CD1 4.4Å; R278-D294 IonicContact CZ-OD2 2.85Å; R278-D294 IonicContact NH1-OD1 3.62Å; R278-D294 IonicContact NH1-OD2 2.8Å; R278-D294 PolarHBondContact NH1-OD2 3.37Å; R278-D294 IonicContact NH2-OD2 3.62Å; R278-D294 PolarHBondContact NH2-OD2 3.27Å |
| 279 | F | 90.1 | Very high | 92.9 | Very high | 110 Ų | 110 | 61.9 Ų | 61.9 | 48% | 0.482 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | 21.2 | -179.6 | -61.9 | -83.5 | 0 | 0 | 0 | 112.9 | Y275 Q276 I277 H281 | Y275-F279 AromaticContact CD1-CD2 3.46Å; Y275-F279 HydrophobicContact CD1-CD2 3.46Å; Y275-F279 VanDerWaalsContact CD1-CD2 3.46Å; Y275-F279 AromaticContact CD1-CE2 3.87Å; Y275-F279 HydrophobicContact CD1-CE2 3.87Å; Y275-F279 HydrophobicContact CD1-CG 4.49Å; Y275-F279 HydrophobicContact CD2-CD2 4.25Å; Y275-F279 AromaticContact CD2-CE2 3.82Å; Y275-F279 HydrophobicContact CD2-CE2 3.82Å; Y275-F279 AromaticContact CE1-CD2 3.21Å; Y275-F279 HydrophobicContact CE1-CD2 3.21Å; Y275-F279 AromaticContact CE1-CE2 3.46Å; Y275-F279 HydrophobicContact CE1-CE2 3.46Å; Y275-F279 VanDerWaalsContact CE1-CE2 3.46Å; Y275-F279 HydrophobicContact CE1-CG 4.05Å; Y275-F279 HydrophobicContact CE1-CZ 4.42Å; Y275-F279 HydrophobicContact CE2-CD2 4.04Å; Y275-F279 AromaticContact CE2-CE2 3.4Å; Y275-F279 HydrophobicContact CE2-CE2 3.4Å; Y275-F279 HydrophobicContact CE2-CZ 4.19Å; Y275-F279 AromaticContact CG-CD2 3.99Å; Y275-F279 HydrophobicContact CG-CD2 3.99Å; Y275-F279 HydrophobicContact CG-CE2 4.04Å; Y275-F279 AromaticContact CZ-CD2 3.53Å; Y275-F279 AromaticContact CZ-CE2 3.19Å; Y275-F279 AromaticContact CZ-CZ 3.91Å; Y275-F279 VanDerWaalsContact O-CD2 3.3Å; Y275-F279 WeakPolarHBondContact O-CD2 3.33Å; Y275-F279 PolarHBondContact O-N 2.93Å; Y275-F279 VanDerWaalsContact O-N 3.14Å; Q276-F279 CarbonylContact O-C 3.58Å; Q276-F279 PolarHBondContact O-N 2.81Å; I277-F279 PolarHBondContact O-N 2.94Å; F279-H281 PolarHBondContact O-N 3.45Å |
| 280 | L | 89.8 | Confident | 92.6 | Very high | 46 Ų | 46 | 61.2 Ų | 61.2 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | trans | -74.1 | 121.1 | 179.6 | -170 | 59.9 | 0 | 0 | 0 | 110.1 | Q276 I277 E283 C314 L318 | Q276-L280 WeakPolarHBondContact O-CA 3.47Å; Q276-L280 WeakPolarHBondContact O-CB 3.47Å; Q276-L280 PolarHBondContact O-N 3.24Å; I277-L280 WeakPolarHBondContact O-CB 3.42Å; I277-L280 PolarHBondContact O-N 3.02Å; L280-E283 HydrophobicContact CD2-CG 3.88Å; L280-E283 HydrophobicContact CG-CG 4.29Å; L280-C314 HydrophobicContact CD2-CB 3.96Å; L280-L318 HydrophobicContact CD1-CD2 4.09Å | ||
| 281 | H | 87.3 | Confident | 92.3 | Very high | 182 Ų | 182 | 62.4 Ų | 62.4 | 84% | 0.843 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | 143.1 | 175.2 | -65.6 | -66.7 | 0 | 0 | 0 | 111.5 | F279 | F279-H281 PolarHBondContact O-N 3.45Š|
| 282 | G | 87.6 | Confident | 91.8 | Very high | 75 Ų | 75 | 65.3 Ų | 65.3 | 77% | 0.773 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.5 | -4.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 283 | E | 89.5 | Confident | 91.2 | Very high | 49 Ų | 49 | 68.2 Ų | 68.2 | 23% | 0.229 | 33% | 0.333 | C | S | . | . | trans | -110.8 | 58 | -178.9 | -66.8 | -70.6 | 161.3 | 0 | 0 | 111.5 | L280 E285 L286 S287 | L280-E283 HydrophobicContact CD2-CG 3.88Å; L280-E283 HydrophobicContact CG-CG 4.29Å; E283-E285 VanDerWaalsContact C-N 3.3Å; E283-E285 PolarHBondContact O-N 2.8Å; E283-L286 HydrophobicContact CB-CB 4.2Å; E283-L286 PolarHBondContact O-N 3.19Å; E283-L286 VanDerWaalsContact O-N 3.13Å; E283-S287 PolarHBondContact O-N 3.13Å; E283-S287 VanDerWaalsContact O-N 3.1Å; E283-S287 PolarHBondContact O-OG 2.9Å | ||
| 284 | E | 89.4 | Confident | 90.5 | Very high | 140 Ų | 140 | 70.8 Ų | 70.8 | 65% | 0.654 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -57.1 | -37.6 | -173.3 | -66.1 | -173.9 | -177.3 | 0 | 0 | 114.1 | S287 K288 | E284-S287 PolarHBondContact O-N 2.8Å; E284-K288 WeakPolarHBondContact O-CG 3.31Å; E284-K288 PolarHBondContact O-N 3.35Å |
| 285 | E | 92.8 | Very high | 90.1 | Very high | 98 Ų | 98 | 75.2 Ų | 75.2 | 46% | 0.458 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 178.8 | -172.2 | -177.2 | 171.6 | 0 | 0 | 110.9 | E283 S287 K288 L289 L310 | E283-E285 VanDerWaalsContact C-N 3.3Å; E283-E285 PolarHBondContact O-N 2.8Å; E285-S287 VanDerWaalsContact C-N 3.33Å; E285-S287 PolarHBondContact O-N 2.81Å; E285-K288 PolarHBondContact O-N 3.07Å; E285-L289 HydrophobicContact CG-CD1 4.31Å; E285-L289 WeakPolarHBondContact O-CG 3.5Å; E285-L289 PolarHBondContact O-N 3.48Å; E285-L310 HydrophobicContact CB-CD1 4.17Å; E285-L310 HydrophobicContact CG-CD1 3.78Å |
| 286 | L | 93.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 177.2 | -178.3 | 59.3 | 0 | 0 | 0 | 111 | I277 E283 L289 L290 F307 L310 R311 C314 | I277-L286 HydrophobicContact CG2-CD2 3.6Å; E283-L286 HydrophobicContact CB-CB 4.2Å; E283-L286 PolarHBondContact O-N 3.19Å; E283-L286 VanDerWaalsContact O-N 3.13Å; L286-L289 PolarHBondContact O-N 2.97Å; L286-L290 HydrophobicContact CG-CD1 4.24Å; L286-L290 WeakPolarHBondContact O-CB 3.47Å; L286-L290 WeakPolarHBondContact O-CG 3.39Å; L286-L290 PolarHBondContact O-N 2.91Å; L286-F307 HydrophobicContact CD1-CD2 3.69Å; L286-F307 HydrophobicContact CD1-CE2 3.65Å; L286-L310 HydrophobicContact CB-CB 4.49Å; L286-L310 HydrophobicContact CD1-CB 4.12Å; L286-R311 HydrophobicContact CD1-CB 4.18Å; L286-C314 HydrophobicContact CD2-CB 4.1Å |
| 287 | S | 92.1 | Very high | 88.1 | Confident | 48 Ų | 48 | 72.7 Ų | 72.7 | 34% | 0.336 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61 | -43.5 | 175.4 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | E283 E284 E285 L290 Q291 | E283-S287 PolarHBondContact O-N 3.13Å; E283-S287 VanDerWaalsContact O-N 3.1Å; E283-S287 PolarHBondContact O-OG 2.9Å; E284-S287 PolarHBondContact O-N 2.8Å; E285-S287 VanDerWaalsContact C-N 3.33Å; E285-S287 PolarHBondContact O-N 2.81Å; S287-L290 PolarHBondContact O-N 3.26Å; S287-Q291 WeakPolarHBondContact O-CB 3.45Å; S287-Q291 PolarHBondContact O-N 3.49Å |
| 288 | K | 92.3 | Very high | 87.3 | Confident | 131 Ų | 131 | 77.9 Ų | 77.9 | 57% | 0.57 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.3 | -43 | 176.3 | -73.5 | 170.4 | -174.5 | 168.6 | 0 | 111.9 | E284 E285 Q291 L292 | E284-K288 WeakPolarHBondContact O-CG 3.31Å; E284-K288 PolarHBondContact O-N 3.35Å; E285-K288 PolarHBondContact O-N 3.07Å; K288-Q291 PolarHBondContact O-N 3.08Å; K288-L292 WeakPolarHBondContact O-CB 3.27Å; K288-L292 PolarHBondContact O-N 3.45Å |
| 289 | L | 92.3 | Very high | 86.8 | Confident | 13 Ų | 13 | 73.4 Ų | 73.4 | 7% | 0.068 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.8 | -38.3 | 177.1 | -69.5 | 170.8 | 0 | 0 | 0 | 112.2 | E285 L286 R293 D303 R306 F307 L310 | E285-L289 HydrophobicContact CG-CD1 4.31Å; E285-L289 WeakPolarHBondContact O-CG 3.5Å; E285-L289 PolarHBondContact O-N 3.48Å; L286-L289 PolarHBondContact O-N 2.97Å; L289-R293 VanDerWaalsContact O-CB 3.31Å; L289-R293 WeakPolarHBondContact O-CB 3.42Å; L289-R293 PolarHBondContact O-N 3.05Å; L289-D303 HydrophobicContact CD2-CB 3.86Å; L289-R306 HydrophobicContact CD1-CB 4.35Å; L289-F307 HydrophobicContact CB-CB 4.3Å; L289-F307 HydrophobicContact CB-CD2 3.89Å; L289-F307 HydrophobicContact CD1-CB 4.03Å; L289-L310 HydrophobicContact CD1-CD1 4.02Å |
| 290 | L | 89.9 | Confident | 86.5 | Confident | 10 Ų | 10 | 70.6 Ų | 70.6 | 5% | 0.052 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 173.4 | -77.8 | 169.7 | 0 | 0 | 0 | 111.4 | R278 L286 S287 R293 D294 F307 | R278-L290 HydrophobicContact CB-CD1 4.37Å; R278-L290 HydrophobicContact CG-CD1 4.4Å; L286-L290 HydrophobicContact CG-CD1 4.24Å; L286-L290 WeakPolarHBondContact O-CB 3.47Å; L286-L290 WeakPolarHBondContact O-CG 3.39Å; L286-L290 PolarHBondContact O-N 2.91Å; S287-L290 PolarHBondContact O-N 3.26Å; L290-R293 PolarHBondContact O-N 3.1Å; L290-D294 PolarHBondContact O-N 3.07Å; L290-F307 HydrophobicContact CD2-CE2 3.4Å; L290-F307 HydrophobicContact CD2-CZ 3.68Å; L290-F307 HydrophobicContact CG-CE2 3.75Å |
| 291 | Q | 89.1 | Confident | 86.2 | Confident | 111 Ų | 111 | 73.4 Ų | 73.4 | 52% | 0.519 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.5 | -48.7 | 178.1 | -179.8 | 179.6 | -4.3 | 0 | 0 | 111.3 | S287 K288 R293 D294 E295 | S287-Q291 WeakPolarHBondContact O-CB 3.45Å; S287-Q291 PolarHBondContact O-N 3.49Å; K288-Q291 PolarHBondContact O-N 3.08Å; Q291-R293 VanDerWaalsContact C-N 3.3Å; Q291-R293 PolarHBondContact O-N 3.32Å; Q291-D294 PolarHBondContact O-N 3.36Å; Q291-D294 VanDerWaalsContact O-N 3.09Å; Q291-E295 HydrophobicContact CG-CG 4.41Å; Q291-E295 VanDerWaalsContact CG-OE1 3.3Å; Q291-E295 WeakPolarHBondContact CG-OE1 3.39Å; Q291-E295 PolarHBondContact NE2-OE1 3.37Å; Q291-E295 WeakPolarHBondContact O-CG 3.41Å; Q291-E295 PolarHBondContact O-N 3.44Å |
| 292 | L | 88.3 | Confident | 86.3 | Confident | 67 Ų | 67 | 68.9 Ų | 68.9 | 35% | 0.351 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -55.9 | -47.9 | 178.3 | -178.9 | 63.1 | 0 | 0 | 0 | 110.5 | K288 D294 E295 T296 L299 | K288-L292 WeakPolarHBondContact O-CB 3.27Å; K288-L292 PolarHBondContact O-N 3.45Å; L292-D294 VanDerWaalsContact C-N 3.31Å; L292-D294 PolarHBondContact O-N 3.09Å; L292-E295 PolarHBondContact O-N 3.16Å; L292-T296 HydrophobicContact CD1-CG2 3.74Å; L292-T296 HydrophobicContact CG-CG2 4.39Å; L292-T296 WeakPolarHBondContact O-CB 3.49Å; L292-T296 WeakPolarHBondContact O-CG2 3.38Å; L292-T296 PolarHBondContact O-N 3.37Å; L292-T296 PolarHBondContact O-OG1 3.02Å; L292-L299 HydrophobicContact CB-CD2 4Å; L292-L299 HydrophobicContact CD2-CD2 3.67Å; L292-L299 HydrophobicContact CG-CD2 3.74Å |
| 293 | R | 84.2 | Confident | 86.5 | Confident | 63 Ų | 63 | 67.2 Ų | 67.2 | 24% | 0.238 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.7 | -37.3 | 177.9 | -171.4 | -171.3 | 65.4 | 172.3 | 3.1 | 112.9 | L289 L290 Q291 G297 L299 F307 | L289-R293 VanDerWaalsContact O-CB 3.31Å; L289-R293 WeakPolarHBondContact O-CB 3.42Å; L289-R293 PolarHBondContact O-N 3.05Å; L290-R293 PolarHBondContact O-N 3.1Å; Q291-R293 VanDerWaalsContact C-N 3.3Å; Q291-R293 PolarHBondContact O-N 3.32Å; R293-G297 CarbonylContact O-C 3.53Å; R293-G297 WeakPolarHBondContact O-CA 3.34Å; R293-G297 PolarHBondContact O-N 3.29Å; R293-L299 HydrophobicContact CB-CD1 4.12Å; R293-L299 HydrophobicContact CB-CD2 3.95Å; R293-L299 HydrophobicContact CB-CG 3.81Å; R293-L299 HydrophobicContact CG-CD1 4.45Å; R293-L299 HydrophobicContact CG-CG 4.1Å; R293-F307 VanDerWaalsContact NH1-CE1 3.26Å |
| 294 | D | 83.5 | Confident | 86.4 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.2 | -34.5 | 178.3 | -68.2 | -8.1 | 0 | 0 | 0 | 111.5 | R278 L290 Q291 L292 | R278-D294 IonicContact CZ-OD2 2.85Å; R278-D294 IonicContact NH1-OD1 3.62Å; R278-D294 IonicContact NH1-OD2 2.8Å; R278-D294 PolarHBondContact NH1-OD2 3.37Å; R278-D294 IonicContact NH2-OD2 3.62Å; R278-D294 PolarHBondContact NH2-OD2 3.27Å; L290-D294 PolarHBondContact O-N 3.07Å; Q291-D294 PolarHBondContact O-N 3.36Å; Q291-D294 VanDerWaalsContact O-N 3.09Å; L292-D294 VanDerWaalsContact C-N 3.31Å; L292-D294 PolarHBondContact O-N 3.09Å |
| 295 | E | 83.8 | Confident | 86.4 | Confident | 129 Ų | 129 | 67.7 Ų | 67.7 | 60% | 0.603 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -76.4 | -41.4 | 177.7 | -71.1 | 174 | -174.7 | 0 | 0 | 112.9 | Q291 L292 | Q291-E295 HydrophobicContact CG-CG 4.41Å; Q291-E295 VanDerWaalsContact CG-OE1 3.3Å; Q291-E295 WeakPolarHBondContact CG-OE1 3.39Å; Q291-E295 PolarHBondContact NE2-OE1 3.37Å; Q291-E295 WeakPolarHBondContact O-CG 3.41Å; Q291-E295 PolarHBondContact O-N 3.44Å; L292-E295 PolarHBondContact O-N 3.16Å |
| 296 | T | 77.5 | Confident | 86.5 | Confident | 64 Ų | 64 | 69.9 Ų | 69.9 | 39% | 0.393 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -93.1 | -19.8 | -175.9 | 60.5 | 0 | 0 | 0 | 0 | 113.2 | L292 E298 | L292-T296 HydrophobicContact CD1-CG2 3.74Å; L292-T296 HydrophobicContact CG-CG2 4.39Å; L292-T296 WeakPolarHBondContact O-CB 3.49Å; L292-T296 WeakPolarHBondContact O-CG2 3.38Å; L292-T296 PolarHBondContact O-N 3.37Å; L292-T296 PolarHBondContact O-OG1 3.02Å; T296-E298 PolarHBondContact O-N 2.87Å; T296-E298 PolarHBondContact OG1-N 3.14Å; T296-E298 PolarHBondContact OG1-O 3.42Å |
| 297 | G | 71.2 | Confident | 86.4 | Confident | 17 Ų | 17 | 70.2 Ų | 70.2 | 18% | 0.175 | 36% | 0.362 | C | S | . | . | S | Bend | trans | 82.5 | -27.4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114 | R293 | R293-G297 CarbonylContact O-C 3.53Å; R293-G297 WeakPolarHBondContact O-CA 3.34Å; R293-G297 PolarHBondContact O-N 3.29Å |
| 298 | E | 77.3 | Confident | 86.4 | Confident | 111 Ų | 111 | 74.7 Ų | 74.7 | 52% | 0.519 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -145.1 | 151.8 | -178.6 | -61.7 | -169.4 | 145.9 | 0 | 0 | 112.2 | I109 T296 | I109-E298 WeakPolarHBondContact CB-OE1 3.39Å; I109-E298 HydrophobicContact CD1-CG 3.48Å; I109-E298 VanDerWaalsContact CD1-CG 3.48Å; I109-E298 WeakPolarHBondContact CD1-OE1 3.25Å; I109-E298 WeakPolarHBondContact CG2-OE1 3.36Å; T296-E298 PolarHBondContact O-N 2.87Å; T296-E298 PolarHBondContact OG1-N 3.14Å; T296-E298 PolarHBondContact OG1-O 3.42Å |
| 299 | L | 80.9 | Confident | 86.6 | Confident | 23 Ų | 23 | 72.5 Ų | 72.5 | 12% | 0.12 | 37% | 0.369 | C | S | . | . | trans | -101 | 156 | 175.6 | -68.3 | 177.6 | 0 | 0 | 0 | 111.4 | L292 R293 D303 E304 F307 | L292-L299 HydrophobicContact CB-CD2 4Å; L292-L299 HydrophobicContact CD2-CD2 3.67Å; L292-L299 HydrophobicContact CG-CD2 3.74Å; R293-L299 HydrophobicContact CB-CD1 4.12Å; R293-L299 HydrophobicContact CB-CD2 3.95Å; R293-L299 HydrophobicContact CB-CG 3.81Å; R293-L299 HydrophobicContact CG-CD1 4.45Å; R293-L299 HydrophobicContact CG-CG 4.1Å; L299-D303 HydrophobicContact CB-CB 4.04Å; L299-D303 HydrophobicContact CD1-CB 4.47Å; L299-D303 HydrophobicContact CD2-CB 4.34Å; L299-E304 HydrophobicContact CB-CB 4.14Å; L299-F307 HydrophobicContact CD1-CB 3.72Å; L299-F307 HydrophobicContact CD1-CD1 4.3Å; L299-F307 HydrophobicContact CD1-CD2 4.49Å; L299-F307 HydrophobicContact CD1-CG 3.9Å | ||
| 300 | S | 84.5 | Confident | 86.7 | Confident | 52 Ų | 52 | 73.2 Ų | 73.2 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | trans | -58.1 | 154.7 | 166.4 | 76.2 | 0 | 0 | 0 | 0 | 110.1 | T302 D303 E304 | S300-T302 PolarHBondContact O-N 2.78Å; S300-T302 PolarHBondContact OG-OG1 2.96Å; S300-D303 PolarHBondContact O-N 2.9Å; S300-D303 VanDerWaalsContact OG-CB 3.3Å; S300-D303 WeakPolarHBondContact OG-CB 3.25Å; S300-D303 PolarHBondContact OG-N 2.89Å; S300-D303 VanDerWaalsContact OG-N 3.13Å; S300-D303 PolarHBondContact OG-OD2 3.4Å; S300-E304 WeakPolarHBondContact O-CB 3.45Å; S300-E304 PolarHBondContact O-N 3.09Å | ||
| 301 | S | 84.2 | Confident | 86.9 | Confident | 105 Ų | 105 | 74.1 Ų | 74.1 | 73% | 0.734 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -57.9 | -34.7 | -179 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | M305 | S301-M305 PolarHBondContact O-N 3.45Å |
| 302 | T | 89.5 | Confident | 87.2 | Confident | 86 Ų | 86 | 71.4 Ų | 71.4 | 53% | 0.528 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.2 | -44.7 | 174.4 | 43.5 | 0 | 0 | 0 | 0 | 112.1 | S300 M305 R306 | S300-T302 PolarHBondContact O-N 2.78Å; S300-T302 PolarHBondContact OG-OG1 2.96Å; T302-M305 PolarHBondContact O-N 2.88Å; T302-R306 WeakPolarHBondContact O-CG 3.33Å; T302-R306 PolarHBondContact O-N 2.89Å; T302-R306 VanDerWaalsContact O-N 3.15Å |
| 303 | D | 90.7 | Very high | 87.5 | Confident | 40 Ų | 40 | 72.5 Ų | 72.5 | 21% | 0.214 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -71.1 | -37.2 | -180 | -66.5 | -31.6 | 0 | 0 | 0 | 111.4 | L289 L299 S300 M305 R306 F307 | L289-D303 HydrophobicContact CD2-CB 3.86Å; L299-D303 HydrophobicContact CB-CB 4.04Å; L299-D303 HydrophobicContact CD1-CB 4.47Å; L299-D303 HydrophobicContact CD2-CB 4.34Å; S300-D303 PolarHBondContact O-N 2.9Å; S300-D303 VanDerWaalsContact OG-CB 3.3Å; S300-D303 WeakPolarHBondContact OG-CB 3.25Å; S300-D303 PolarHBondContact OG-N 2.89Å; S300-D303 VanDerWaalsContact OG-N 3.13Å; S300-D303 PolarHBondContact OG-OD2 3.4Å; D303-M305 VanDerWaalsContact C-N 3.33Å; D303-M305 PolarHBondContact O-N 3.41Å; D303-R306 PolarHBondContact O-N 3.3Å; D303-F307 WeakPolarHBondContact O-CB 3.47Å; D303-F307 PolarHBondContact O-N 3.07Å |
| 304 | E | 86.8 | Confident | 88 | Confident | 82 Ų | 82 | 69.6 Ų | 69.6 | 38% | 0.383 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 175.5 | -175.5 | 59 | -149.8 | 0 | 0 | 111.2 | L299 S300 R308 | L299-E304 HydrophobicContact CB-CB 4.14Å; S300-E304 WeakPolarHBondContact O-CB 3.45Å; S300-E304 PolarHBondContact O-N 3.09Å; E304-R308 VanDerWaalsContact O-CB 3.28Å; E304-R308 WeakPolarHBondContact O-CB 3.42Å; E304-R308 PolarHBondContact O-N 2.86Å |
| 305 | M | 91 | Very high | 88.6 | Confident | 118 Ų | 118 | 67.3 Ų | 67.3 | 58% | 0.581 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.5 | -44.2 | 175.7 | -174.2 | 180 | -66.9 | 0 | 0 | 112 | S301 T302 D303 T309 | S301-M305 PolarHBondContact O-N 3.45Å; T302-M305 PolarHBondContact O-N 2.88Å; D303-M305 VanDerWaalsContact C-N 3.33Å; D303-M305 PolarHBondContact O-N 3.41Å; M305-T309 WeakPolarHBondContact O-CB 3.35Å; M305-T309 PolarHBondContact O-N 3.46Å; M305-T309 VanDerWaalsContact O-N 3.1Å; M305-T309 PolarHBondContact O-OG1 3.27Å |
| 306 | R | 93.4 | Very high | 89.2 | Confident | 144 Ų | 144 | 65.9 Ų | 65.9 | 54% | 0.543 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65 | -48.5 | 176.7 | -72.5 | 179.4 | -175.8 | 174.8 | 1.7 | 111.3 | L289 T302 D303 R308 T309 L310 | L289-R306 HydrophobicContact CD1-CB 4.35Å; T302-R306 WeakPolarHBondContact O-CG 3.33Å; T302-R306 PolarHBondContact O-N 2.89Å; T302-R306 VanDerWaalsContact O-N 3.15Å; D303-R306 PolarHBondContact O-N 3.3Å; R306-R308 VanDerWaalsContact C-N 3.34Å; R306-R308 PolarHBondContact O-N 3.19Å; R306-T309 WeakPolarHBondContact O-CB 3.49Å; R306-T309 PolarHBondContact O-N 2.64Å; R306-T309 VanDerWaalsContact O-N 3.07Å; R306-L310 PolarHBondContact O-N 3.04Å |
| 307 | F | 92.4 | Very high | 90.1 | Very high | 7 Ų | 7 | 65.6 Ų | 65.6 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -52.3 | -51.8 | 176 | 171.6 | -106.6 | 0 | 0 | 0 | 111.1 | L286 L289 L290 R293 L299 D303 T309 L310 R311 | L286-F307 HydrophobicContact CD1-CD2 3.69Å; L286-F307 HydrophobicContact CD1-CE2 3.65Å; L289-F307 HydrophobicContact CB-CB 4.3Å; L289-F307 HydrophobicContact CB-CD2 3.89Å; L289-F307 HydrophobicContact CD1-CB 4.03Å; L290-F307 HydrophobicContact CD2-CE2 3.4Å; L290-F307 HydrophobicContact CD2-CZ 3.68Å; L290-F307 HydrophobicContact CG-CE2 3.75Å; R293-F307 VanDerWaalsContact NH1-CE1 3.26Å; L299-F307 HydrophobicContact CD1-CB 3.72Å; L299-F307 HydrophobicContact CD1-CD1 4.3Å; L299-F307 HydrophobicContact CD1-CD2 4.49Å; L299-F307 HydrophobicContact CD1-CG 3.9Å; D303-F307 WeakPolarHBondContact O-CB 3.47Å; D303-F307 PolarHBondContact O-N 3.07Å; F307-T309 VanDerWaalsContact C-N 3.3Å; F307-T309 PolarHBondContact O-N 2.64Å; F307-L310 PolarHBondContact O-N 3Å; F307-R311 HydrophobicContact CZ-CB 4.43Å; F307-R311 WeakPolarHBondContact O-CB 3.3Å; F307-R311 PolarHBondContact O-N 3.32Å |
| 308 | R | 91.9 | Very high | 91.3 | Very high | 143 Ų | 143 | 66.1 Ų | 66.1 | 54% | 0.54 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 178.6 | -173.2 | 177 | 70.1 | -178.8 | 1.5 | 112.1 | E304 R306 N312 | E304-R308 VanDerWaalsContact O-CB 3.28Å; E304-R308 WeakPolarHBondContact O-CB 3.42Å; E304-R308 PolarHBondContact O-N 2.86Å; R306-R308 VanDerWaalsContact C-N 3.34Å; R306-R308 PolarHBondContact O-N 3.19Å; R308-N312 VanDerWaalsContact O-CB 3.24Å; R308-N312 WeakPolarHBondContact O-CB 3.19Å; R308-N312 PolarHBondContact O-N 3.35Å; R308-N312 PolarHBondContact O-ND2 3.4Å; R308-N312 PolarHBondContact O-OD1 2.76Å |
| 309 | T | 95.6 | Very high | 92.2 | Very high | 84 Ų | 84 | 60.9 Ų | 60.9 | 52% | 0.515 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.7 | -49.4 | -179.7 | -58 | 0 | 0 | 0 | 0 | 111.5 | M305 R306 F307 N312 K313 | M305-T309 WeakPolarHBondContact O-CB 3.35Å; M305-T309 PolarHBondContact O-N 3.46Å; M305-T309 VanDerWaalsContact O-N 3.1Å; M305-T309 PolarHBondContact O-OG1 3.27Å; R306-T309 WeakPolarHBondContact O-CB 3.49Å; R306-T309 PolarHBondContact O-N 2.64Å; R306-T309 VanDerWaalsContact O-N 3.07Å; F307-T309 VanDerWaalsContact C-N 3.3Å; F307-T309 PolarHBondContact O-N 2.64Å; T309-N312 PolarHBondContact O-N 2.99Å; T309-K313 PolarHBondContact O-N 3.25Å |
| 310 | L | 95 | Very high | 92.9 | Very high | 28 Ų | 28 | 67.3 Ų | 67.3 | 15% | 0.147 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 177.6 | -72.3 | 171.2 | 0 | 0 | 0 | 111.6 | E285 L286 L289 R306 F307 N312 K313 C314 | E285-L310 HydrophobicContact CB-CD1 4.17Å; E285-L310 HydrophobicContact CG-CD1 3.78Å; L286-L310 HydrophobicContact CB-CB 4.49Å; L286-L310 HydrophobicContact CD1-CB 4.12Å; L289-L310 HydrophobicContact CD1-CD1 4.02Å; R306-L310 PolarHBondContact O-N 3.04Å; F307-L310 PolarHBondContact O-N 3Å; L310-N312 PolarHBondContact O-N 2.93Å; L310-K313 WeakPolarHBondContact O-CB 3.17Å; L310-K313 PolarHBondContact O-N 3.1Å; L310-C314 PolarHBondContact O-N 3.35Å; L310-C314 PolarHBondContact O-SG 3.32Å |
| 311 | R | 93.9 | Very high | 93.5 | Very high | 30 Ų | 30 | 70.1 Ų | 70.1 | 11% | 0.113 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58 | -48.6 | 175.9 | 179.2 | 174 | 172.6 | 145.9 | -4.2 | 111.2 | E262 L286 F307 K313 C314 E315 | E262-R311 IonicContact OE1-NH2 3.91Å; E262-R311 IonicContact OE2-CZ 2.77Å; E262-R311 IonicContact OE2-NH2 2.61Å; E262-R311 PolarHBondContact OE2-NH2 3.46Å; L286-R311 HydrophobicContact CD1-CB 4.18Å; F307-R311 HydrophobicContact CZ-CB 4.43Å; F307-R311 WeakPolarHBondContact O-CB 3.3Å; F307-R311 PolarHBondContact O-N 3.32Å; R311-K313 VanDerWaalsContact C-N 3.27Å; R311-K313 PolarHBondContact O-N 3.5Å; R311-C314 PolarHBondContact O-N 3.25Å; R311-E315 HydrophobicContact CG-CG 4.29Å; R311-E315 IonicContact CZ-OE1 3.98Å; R311-E315 IonicContact NE-OE1 3.17Å; R311-E315 PolarHBondContact NE-OE1 3.1Å; R311-E315 IonicContact NH2-OE1 2.75Å; R311-E315 PolarHBondContact NH2-OE1 3.48Å; R311-E315 WeakPolarHBondContact O-CB 3.43Å; R311-E315 WeakPolarHBondContact O-CG 3.35Å; R311-E315 PolarHBondContact O-N 2.75Å |
| 312 | N | 94.7 | Very high | 94.1 | Very high | 53 Ų | 53 | 65.4 Ų | 65.4 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63.1 | -33.8 | 179.4 | -72.8 | -14.3 | 0 | 0 | 0 | 112.4 | R308 T309 L310 R316 | R308-N312 VanDerWaalsContact O-CB 3.24Å; R308-N312 WeakPolarHBondContact O-CB 3.19Å; R308-N312 PolarHBondContact O-N 3.35Å; R308-N312 PolarHBondContact O-ND2 3.4Å; R308-N312 PolarHBondContact O-OD1 2.76Å; T309-N312 PolarHBondContact O-N 2.99Å; L310-N312 PolarHBondContact O-N 2.93Å; N312-R316 WeakPolarHBondContact O-CG 3.43Å; N312-R316 PolarHBondContact O-N 2.92Å; N312-R316 PolarHBondContact O-NH1 3.12Å |
| 313 | K | 95.2 | Very high | 94.6 | Very high | 90 Ų | 90 | 63.7 Ų | 63.7 | 39% | 0.391 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64 | -53.1 | 172.8 | -179.4 | -167.2 | 168.2 | -155.4 | 0 | 110.5 | T309 L310 R311 E315 R316 D317 | T309-K313 PolarHBondContact O-N 3.25Å; L310-K313 WeakPolarHBondContact O-CB 3.17Å; L310-K313 PolarHBondContact O-N 3.1Å; R311-K313 VanDerWaalsContact C-N 3.27Å; R311-K313 PolarHBondContact O-N 3.5Å; K313-E315 VanDerWaalsContact C-N 3.34Å; K313-E315 PolarHBondContact O-N 2.82Å; K313-R316 WeakPolarHBondContact O-CB 3.31Å; K313-R316 PolarHBondContact O-N 3.05Å; K313-R316 VanDerWaalsContact O-N 3.13Å; K313-D317 PolarHBondContact O-N 3.32Å |
| 314 | C | 96.1 | Very high | 95 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 179.5 | -62.5 | 0 | 0 | 0 | 0 | 112.5 | I277 L280 L286 L310 R311 R316 D317 L318 | I277-C314 HydrophobicContact CG1-CB 4.45Å; L280-C314 HydrophobicContact CD2-CB 3.96Å; L286-C314 HydrophobicContact CD2-CB 4.1Å; L310-C314 PolarHBondContact O-N 3.35Å; L310-C314 PolarHBondContact O-SG 3.32Å; R311-C314 PolarHBondContact O-N 3.25Å; C314-R316 VanDerWaalsContact C-N 3.33Å; C314-R316 PolarHBondContact O-N 3.28Å; C314-D317 PolarHBondContact O-N 3.2Å; C314-L318 WeakPolarHBondContact O-CB 3.48Å; C314-L318 WeakPolarHBondContact O-CG 3.28Å; C314-L318 PolarHBondContact O-N 3.01Å |
| 315 | E | 95.9 | Very high | 95.5 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 2% | 0.023 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.2 | -49.2 | 173.6 | -80.3 | -177.8 | -179.5 | 0 | 0 | 110.8 | L273 I277 R311 K313 L319 R336 | L273-E315 HydrophobicContact CD1-CG 4.45Å; L273-E315 HydrophobicContact CD2-CB 4.27Å; L273-E315 HydrophobicContact CD2-CG 3.95Å; L273-E315 HydrophobicContact CG-CG 4.17Å; I277-E315 HydrophobicContact CD1-CB 4.23Å; I277-E315 HydrophobicContact CD1-CG 3.19Å; I277-E315 HydrophobicContact CG1-CG 4.49Å; R311-E315 HydrophobicContact CG-CG 4.29Å; R311-E315 IonicContact CZ-OE1 3.98Å; R311-E315 IonicContact NE-OE1 3.17Å; R311-E315 PolarHBondContact NE-OE1 3.1Å; R311-E315 IonicContact NH2-OE1 2.75Å; R311-E315 PolarHBondContact NH2-OE1 3.48Å; R311-E315 WeakPolarHBondContact O-CB 3.43Å; R311-E315 WeakPolarHBondContact O-CG 3.35Å; R311-E315 PolarHBondContact O-N 2.75Å; K313-E315 VanDerWaalsContact C-N 3.34Å; K313-E315 PolarHBondContact O-N 2.82Å; E315-L319 WeakPolarHBondContact O-CB 3.36Å; E315-L319 WeakPolarHBondContact O-CD1 3.46Å; E315-L319 VanDerWaalsContact O-CG 3.23Å; E315-L319 WeakPolarHBondContact O-CG 3.01Å; E315-L319 PolarHBondContact O-N 3.34Å; E315-R336 WeakPolarHBondContact OE2-CD 3.17Å; E315-R336 WeakPolarHBondContact OE2-CG 3.45Å |
| 316 | R | 96.2 | Very high | 95.9 | Very high | 100 Ų | 100 | 52.2 Ų | 52.2 | 38% | 0.377 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.3 | -42 | 178.9 | -73.1 | -173.9 | -58.3 | -95.5 | 3.2 | 112.3 | N312 K313 C314 L319 R320 | N312-R316 WeakPolarHBondContact O-CG 3.43Å; N312-R316 PolarHBondContact O-N 2.92Å; N312-R316 PolarHBondContact O-NH1 3.12Å; K313-R316 WeakPolarHBondContact O-CB 3.31Å; K313-R316 PolarHBondContact O-N 3.05Å; K313-R316 VanDerWaalsContact O-N 3.13Å; C314-R316 VanDerWaalsContact C-N 3.33Å; C314-R316 PolarHBondContact O-N 3.28Å; R316-L319 PolarHBondContact O-N 3Å; R316-R320 WeakPolarHBondContact O-CB 3.28Å; R316-R320 VanDerWaalsContact O-CG 3.24Å; R316-R320 WeakPolarHBondContact O-CG 3.41Å; R316-R320 PolarHBondContact O-N 3.24Å |
| 317 | D | 95.4 | Very high | 96.2 | Very high | 58 Ų | 58 | 45.4 Ų | 45.4 | 31% | 0.31 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68 | -42.3 | -177.3 | -66.5 | -19.9 | 0 | 0 | 0 | 111.1 | K313 C314 R320 N321 | K313-D317 PolarHBondContact O-N 3.32Å; C314-D317 PolarHBondContact O-N 3.2Å; D317-R320 PolarHBondContact O-N 2.65Å; D317-N321 VanDerWaalsContact O-CB 3.29Å; D317-N321 WeakPolarHBondContact O-CB 3.4Å; D317-N321 VanDerWaalsContact O-CG 3.24Å; D317-N321 PolarHBondContact O-N 2.89Å; D317-N321 PolarHBondContact O-ND2 2.92Å |
| 318 | L | 96.5 | Very high | 96.4 | Very high | 28 Ų | 28 | 46.1 Ų | 46.1 | 15% | 0.147 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.5 | -47.1 | 173.6 | -76.5 | 172.2 | 0 | 0 | 0 | 112.1 | L273 Q276 I277 L280 C314 R320 N321 A322 | L273-L318 HydrophobicContact CD1-CB 3.95Å; L273-L318 HydrophobicContact CD1-CD1 4.01Å; Q276-L318 HydrophobicContact CB-CD1 3.98Å; I277-L318 HydrophobicContact CD1-CD1 4.45Å; I277-L318 HydrophobicContact CG1-CD1 3.5Å; I277-L318 VanDerWaalsContact CG1-CD1 3.5Å; L280-L318 HydrophobicContact CD1-CD2 4.09Å; C314-L318 WeakPolarHBondContact O-CB 3.48Å; C314-L318 WeakPolarHBondContact O-CG 3.28Å; C314-L318 PolarHBondContact O-N 3.01Å; L318-R320 VanDerWaalsContact C-N 3.34Å; L318-R320 PolarHBondContact O-N 3.38Å; L318-N321 PolarHBondContact O-N 3.39Å; L318-A322 PolarHBondContact O-N 3.21Å; L318-A322 VanDerWaalsContact O-N 3.1Å |
| 319 | L | 97.4 | Very high | 96.8 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.6 | -37.8 | 179.7 | -75.4 | 165.5 | 0 | 0 | 0 | 112.5 | V254 L273 E315 R316 V325 R336 I337 M340 | V254-L319 HydrophobicContact CG1-CD2 3.79Å; L273-L319 HydrophobicContact CD1-CG 4.23Å; L273-L319 HydrophobicContact CD2-CD1 3.9Å; L273-L319 HydrophobicContact CD2-CD2 4.37Å; L273-L319 HydrophobicContact CD2-CG 4.14Å; E315-L319 WeakPolarHBondContact O-CB 3.36Å; E315-L319 WeakPolarHBondContact O-CD1 3.46Å; E315-L319 VanDerWaalsContact O-CG 3.23Å; E315-L319 WeakPolarHBondContact O-CG 3.01Å; E315-L319 PolarHBondContact O-N 3.34Å; R316-L319 PolarHBondContact O-N 3Å; L319-V325 HydrophobicContact CD2-CG1 4.12Å; L319-V325 HydrophobicContact CD2-CG2 4.08Å; L319-R336 HydrophobicContact CD1-CB 4.37Å; L319-I337 HydrophobicContact CD1-CG2 3.81Å; L319-I337 HydrophobicContact CD2-CG2 3.88Å; L319-I337 HydrophobicContact CG-CG2 4.43Å; L319-M340 HydrophobicContact CB-CE 4.33Å; L319-M340 HydrophobicContact CB-SD 3.9Å; L319-M340 WeakPolarHBondContact O-CE 3.45Å |
| 320 | R | 95.4 | Very high | 96.9 | Very high | 158 Ų | 158 | 36.1 Ų | 36.1 | 60% | 0.596 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -71 | -35 | 177 | -76.7 | 174 | 176.4 | -177.1 | -2.3 | 113.1 | R316 D317 L318 A322 | R316-R320 WeakPolarHBondContact O-CB 3.28Å; R316-R320 VanDerWaalsContact O-CG 3.24Å; R316-R320 WeakPolarHBondContact O-CG 3.41Å; R316-R320 PolarHBondContact O-N 3.24Å; D317-R320 PolarHBondContact O-N 2.65Å; L318-R320 VanDerWaalsContact C-N 3.34Å; L318-R320 PolarHBondContact O-N 3.38Å; R320-A322 VanDerWaalsContact C-N 3.34Å |
| 321 | N | 95.9 | Very high | 97 | Very high | 110 Ų | 110 | 35.2 Ų | 35.2 | 59% | 0.588 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -88.1 | -1 | -178.2 | -69.2 | -36 | 0 | 0 | 0 | 113.7 | D317 L318 | D317-N321 VanDerWaalsContact O-CB 3.29Å; D317-N321 WeakPolarHBondContact O-CB 3.4Å; D317-N321 VanDerWaalsContact O-CG 3.24Å; D317-N321 PolarHBondContact O-N 2.89Å; D317-N321 PolarHBondContact O-ND2 2.92Å; L318-N321 PolarHBondContact O-N 3.39Å |
| 322 | A | 98.3 | Very high | 97.2 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | trans | -73.8 | 142.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P228 V254 L318 R320 V324 V325 | P228-A322 WeakPolarHBondContact CB-O 3.39Å; P228-A322 WeakPolarHBondContact CG-O 3.16Å; V254-A322 HydrophobicContact CB-CB 4.14Å; V254-A322 HydrophobicContact CG2-CB 3.62Å; L318-A322 PolarHBondContact O-N 3.21Å; L318-A322 VanDerWaalsContact O-N 3.1Å; R320-A322 VanDerWaalsContact C-N 3.34Å; A322-V324 VanDerWaalsContact C-N 3.35Å; A322-V325 HydrophobicContact CB-CG2 4.31Å | ||
| 323 | D | 98.6 | Very high | 97.3 | Very high | 49 Ų | 49 | 32.8 Ų | 32.8 | 26% | 0.262 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -76.1 | -32.4 | 167 | -62.7 | -42.7 | 0 | 0 | 0 | 110.1 | A222 P228 V229 L251 K252 | A222-D323 HydrophobicContact CB-CB 4.28Å; P228-D323 WeakPolarHBondContact CA-O 3.26Å; V229-D323 PolarHBondContact N-O 3.4Å; L251-D323 WeakPolarHBondContact CA-OD2 3.43Å; L251-D323 HydrophobicContact CB-CB 4.1Å; L251-D323 HydrophobicContact CD2-CB 4.05Å; K252-D323 HydrophobicContact CB-CB 4.42Å; K252-D323 PolarHBondContact N-OD2 2.91Å; K252-D323 PolarHBondContact O-N 3.22Å |
| 324 | V | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 133.4 | -174.8 | -173 | 0 | 0 | 0 | 0 | 111 | V218 A222 V229 V231 I246 L251 K252 V253 V254 A322 | V218-V324 HydrophobicContact CG1-CB 4.38Å; V218-V324 HydrophobicContact CG1-CG1 3.93Å; V218-V324 HydrophobicContact CG1-CG2 3.48Å; V218-V324 VanDerWaalsContact CG1-CG2 3.48Å; A222-V324 HydrophobicContact CB-CG2 4.4Å; V229-V324 HydrophobicContact CB-CG2 4.48Å; V229-V324 WeakPolarHBondContact O-CA 3.24Å; V229-V324 WeakPolarHBondContact O-CG1 3.3Å; V231-V324 HydrophobicContact CB-CG1 4.18Å; V231-V324 HydrophobicContact CG2-CG1 3.57Å; I246-V324 HydrophobicContact CD1-CG1 4.31Å; I246-V324 HydrophobicContact CG2-CB 4.34Å; I246-V324 HydrophobicContact CG2-CG1 4.4Å; I246-V324 HydrophobicContact CG2-CG2 3.9Å; L251-V324 HydrophobicContact CD1-CG2 3.88Å; K252-V324 PolarHBondContact O-N 2.93Å; K252-V324 VanDerWaalsContact O-N 3.16Å; V253-V324 HydrophobicContact CG2-CB 4.42Å; V254-V324 PolarHBondContact N-O 3.39Å; A322-V324 VanDerWaalsContact C-N 3.35Å |
| 325 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 119.7 | 170.1 | -179.3 | 0 | 0 | 0 | 0 | 109 | P228 V229 L230 V231 V254 L256 L319 A322 M340 F342 | P228-V325 HydrophobicContact CB-CG2 4.34Å; V229-V325 PolarHBondContact O-N 3.38Å; L230-V325 HydrophobicContact CD1-CB 4.35Å; L230-V325 HydrophobicContact CD1-CG1 4.31Å; V231-V325 PolarHBondContact N-O 3.09Å; V254-V325 CarbonylContact O-C 3.57Å; V254-V325 WeakPolarHBondContact O-CA 3.48Å; L256-V325 HydrophobicContact CB-CG1 4.48Å; L319-V325 HydrophobicContact CD2-CG1 4.12Å; L319-V325 HydrophobicContact CD2-CG2 4.08Å; A322-V325 HydrophobicContact CB-CG2 4.31Å; V325-M340 HydrophobicContact CG2-CE 4.33Å; V325-F342 HydrophobicContact CB-CE1 4.09Å; V325-F342 HydrophobicContact CB-CZ 4.4Å; V325-F342 HydrophobicContact CG2-CE1 4.02Å; V325-F342 HydrophobicContact CG2-CZ 4.4Å |
| 326 | C | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 126.6 | 178.6 | -65.8 | 0 | 0 | 0 | 0 | 110.6 | V231 V239 A243 V254 R255 L256 | V231-C326 VanDerWaalsContact O-CA 3.31Å; V231-C326 WeakPolarHBondContact O-CA 3.4Å; V239-C326 HydrophobicContact CG1-CB 3.77Å; A243-C326 HydrophobicContact CB-CB 4.08Å; V254-C326 PolarHBondContact O-N 2.89Å; R255-C326 CarbonylContact C-O 3.58Å; R255-C326 WeakPolarHBondContact CA-O 3.38Å; R255-C326 WeakPolarHBondContact CD-O 3.44Å; L256-C326 PolarHBondContact N-O 2.86Å |
| 327 | C | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 170.9 | 175 | 64.1 | 0 | 0 | 0 | 0 | 111.7 | V231 C232 V239 L256 | V231-C327 PolarHBondContact O-N 3.33Å; C232-C327 WeakPolarHBondContact CA-O 3.23Å; V239-C327 VanDerWaalsContact CG2-O 3.3Å; V239-C327 WeakPolarHBondContact CG2-O 3.4Å; L256-C327 HydrophobicContact CB-CB 4.08Å; L256-C327 WeakPolarHBondContact O-CB 3.48Å |
| 328 | T | 98.2 | Very high | 97.3 | Very high | 23 Ų | 23 | 30.8 Ų | 30.8 | 14% | 0.141 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 161.1 | 170.7 | 56.7 | 0 | 0 | 0 | 0 | 110.7 | A233 N236 V239 V330 G331 A332 | A233-T328 CarbonylContact O-C 3.46Å; A233-T328 WeakPolarHBondContact O-CA 3.22Å; N236-T328 WeakPolarHBondContact OD1-CG2 3.26Å; V239-T328 HydrophobicContact CG2-CG2 4.05Å; T328-V330 VanDerWaalsContact C-N 3.34Å; T328-V330 PolarHBondContact O-N 3.16Å; T328-G331 CarbonylContact O-C 3.55Å; T328-G331 WeakPolarHBondContact O-CA 3.46Å; T328-G331 PolarHBondContact O-N 3.01Å; T328-G331 WeakPolarHBondContact OG1-CA 3.4Å; T328-G331 PolarHBondContact OG1-N 2.61Å; T328-A332 PolarHBondContact O-N 3.33Å |
| 329 | C | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -52.2 | 175.8 | -66.9 | 0 | 0 | 0 | 0 | 111.4 | A233 G331 A332 E357 V360 P361 | A233-C329 PolarHBondContact O-N 3.17Å; C329-G331 VanDerWaalsContact C-N 3.26Å; C329-G331 PolarHBondContact O-N 3.45Å; C329-A332 VanDerWaalsContact O-CB 3.29Å; C329-A332 WeakPolarHBondContact O-CB 3.35Å; C329-A332 PolarHBondContact O-N 2.9Å; C329-A332 VanDerWaalsContact O-N 3.1Å; C329-E357 HydrophobicContact CB-CG 3.52Å; C329-E357 WeakPolarHBondContact CB-O 3.29Å; C329-V360 WeakPolarHBondContact O-CB 3.34Å; C329-V360 VanDerWaalsContact O-CG1 3.25Å; C329-V360 WeakPolarHBondContact O-CG1 3.24Å; C329-P361 WeakPolarHBondContact O-CD 3.22Å |
| 330 | V | 97.6 | Very high | 97 | Very high | 17 Ų | 17 | 38.7 Ų | 38.7 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -60.7 | -36.6 | 171.6 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | R134 T328 A332 G333 E357 | R134-V330 HydrophobicContact CB-CG1 4.34Å; R134-V330 WeakPolarHBondContact CD-O 3.47Å; R134-V330 PolarHBondContact NH1-O 3.46Å; T328-V330 VanDerWaalsContact C-N 3.34Å; T328-V330 PolarHBondContact O-N 3.16Å; V330-A332 PolarHBondContact O-N 3.13Å; V330-G333 PolarHBondContact O-N 3.13Å; V330-G333 VanDerWaalsContact O-N 3.1Å; V330-E357 HydrophobicContact CG2-CG 3.99Å |
| 331 | G | 97.6 | Very high | 97 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 8% | 0.082 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -55.2 | -28.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | T328 C329 G333 D334 | T328-G331 CarbonylContact O-C 3.55Å; T328-G331 WeakPolarHBondContact O-CA 3.46Å; T328-G331 PolarHBondContact O-N 3.01Å; T328-G331 WeakPolarHBondContact OG1-CA 3.4Å; T328-G331 PolarHBondContact OG1-N 2.61Å; C329-G331 VanDerWaalsContact C-N 3.26Å; C329-G331 PolarHBondContact O-N 3.45Å; G331-G333 PolarHBondContact O-N 3.46Å; G331-G333 VanDerWaalsContact O-N 3.16Å; G331-D334 WeakPolarHBondContact O-CB 3.33Å; G331-D334 PolarHBondContact O-N 3.21Å |
| 332 | A | 98.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -67.6 | -13.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114 | L230 T328 C329 V330 D334 V360 P361 N364 | L230-A332 HydrophobicContact CD2-CB 4.13Å; T328-A332 PolarHBondContact O-N 3.33Å; C329-A332 VanDerWaalsContact O-CB 3.29Å; C329-A332 WeakPolarHBondContact O-CB 3.35Å; C329-A332 PolarHBondContact O-N 2.9Å; C329-A332 VanDerWaalsContact O-N 3.1Å; V330-A332 PolarHBondContact O-N 3.13Å; A332-D334 VanDerWaalsContact C-N 3.33Å; A332-V360 HydrophobicContact CB-CG1 4.26Å; A332-P361 HydrophobicContact CB-CB 3.6Å; A332-P361 HydrophobicContact CB-CG 4.42Å; A332-N364 PolarHBondContact O-ND2 3.07Å |
| 333 | G | 97.4 | Very high | 97.1 | Very high | 31 Ų | 31 | 33.6 Ų | 33.6 | 32% | 0.32 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -90 | 14 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | R134 V330 G331 | R134-G333 PolarHBondContact NE-O 3.43Å; V330-G333 PolarHBondContact O-N 3.13Å; V330-G333 VanDerWaalsContact O-N 3.1Å; G331-G333 PolarHBondContact O-N 3.46Å; G331-G333 VanDerWaalsContact O-N 3.16Å |
| 334 | D | 97.2 | Very high | 97.1 | Very high | 13 Ų | 13 | 31.3 Ų | 31.3 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | trans | -70.1 | 134.2 | 179 | -167.7 | -69.3 | 0 | 0 | 0 | 111.7 | R134 L256 G331 A332 R336 I337 A338 | R134-D334 IonicContact NH2-OD2 3.27Å; L256-D334 HydrophobicContact CD2-CB 4.03Å; G331-D334 WeakPolarHBondContact O-CB 3.33Å; G331-D334 PolarHBondContact O-N 3.21Å; A332-D334 VanDerWaalsContact C-N 3.33Å; D334-R336 PolarHBondContact O-N 2.96Å; D334-R336 WeakPolarHBondContact OD1-CB 3.48Å; D334-R336 WeakPolarHBondContact OD1-CG 3.24Å; D334-R336 IonicContact OD1-CZ 2.81Å; D334-R336 PolarHBondContact OD1-N 3.38Å; D334-R336 IonicContact OD1-NE 2.89Å; D334-R336 PolarHBondContact OD1-NE 3.47Å; D334-R336 IonicContact OD1-NH2 3.76Å; D334-R336 IonicContact OD2-CZ 2.93Å; D334-R336 IonicContact OD2-NE 3.6Å; D334-R336 IonicContact OD2-NH2 3.82Å; D334-R336 PolarHBondContact OD2-NH2 3.24Å; D334-I337 WeakPolarHBondContact O-CG1 3.32Å; D334-I337 PolarHBondContact O-N 3.19Å; D334-A338 PolarHBondContact O-N 3.12Å | ||
| 335 | P | 95.9 | Very high | 97.1 | Very high | 104 Ų | 104 | 31.3 Ų | 31.3 | 68% | 0.675 | 18% | 0.176 | S | C | * | . | G | 310 helix | trans | -54.1 | -27.8 | 179.8 | -28.6 | 35.8 | 0 | 0 | 0 | 114.9 | I337 A338 | P335-I337 PolarHBondContact O-N 3.26Å; P335-A338 WeakPolarHBondContact O-CB 3.38Å; P335-A338 PolarHBondContact O-N 3.31Å |
| 336 | R | 96 | Very high | 97.1 | Very high | 33 Ų | 33 | 31.3 Ų | 31.3 | 13% | 0.125 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -64 | -24.1 | 179.9 | -70.7 | 172.1 | -72.7 | -179.6 | 0.9 | 113.5 | L256 C257 E262 E315 L319 D334 | L256-R336 VanDerWaalsContact CD1-CZ 3.42Å; C257-R336 PolarHBondContact O-NH2 2.62Å; E262-R336 IonicContact OE1-CZ 3.1Å; E262-R336 IonicContact OE1-NH1 2.96Å; E262-R336 PolarHBondContact OE1-NH1 2.95Å; E315-R336 WeakPolarHBondContact OE2-CD 3.17Å; E315-R336 WeakPolarHBondContact OE2-CG 3.45Å; L319-R336 HydrophobicContact CD1-CB 4.37Å; D334-R336 PolarHBondContact O-N 2.96Å; D334-R336 WeakPolarHBondContact OD1-CB 3.48Å; D334-R336 WeakPolarHBondContact OD1-CG 3.24Å; D334-R336 IonicContact OD1-CZ 2.81Å; D334-R336 PolarHBondContact OD1-N 3.38Å; D334-R336 IonicContact OD1-NE 2.89Å; D334-R336 PolarHBondContact OD1-NE 3.47Å; D334-R336 IonicContact OD1-NH2 3.76Å; D334-R336 IonicContact OD2-CZ 2.93Å; D334-R336 IonicContact OD2-NE 3.6Å; D334-R336 IonicContact OD2-NH2 3.82Å; D334-R336 PolarHBondContact OD2-NH2 3.24Å |
| 337 | I | 96.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -113.7 | 8.3 | 176.7 | 65 | 171 | 0 | 0 | 0 | 113.1 | L256 L319 D334 P335 Q339 M340 F342 | L256-I337 HydrophobicContact CD2-CB 4.49Å; L256-I337 HydrophobicContact CD2-CD1 3.93Å; L256-I337 HydrophobicContact CD2-CG1 4.09Å; L256-I337 HydrophobicContact CD2-CG2 3.65Å; L319-I337 HydrophobicContact CD1-CG2 3.81Å; L319-I337 HydrophobicContact CD2-CG2 3.88Å; L319-I337 HydrophobicContact CG-CG2 4.43Å; D334-I337 WeakPolarHBondContact O-CG1 3.32Å; D334-I337 PolarHBondContact O-N 3.19Å; P335-I337 PolarHBondContact O-N 3.26Å; I337-Q339 PolarHBondContact O-N 3.38Å; I337-Q339 VanDerWaalsContact O-N 3.16Å; I337-M340 HydrophobicContact CB-SD 3.99Å; I337-M340 HydrophobicContact CG2-SD 3.8Å; I337-M340 WeakPolarHBondContact O-CB 3.31Å; I337-M340 PolarHBondContact O-N 3.16Å; I337-F342 HydrophobicContact CB-CE2 4.38Å; I337-F342 HydrophobicContact CB-CZ 4.36Å; I337-F342 HydrophobicContact CD1-CE2 4.03Å; I337-F342 HydrophobicContact CD1-CZ 4.26Å |
| 338 | A | 93.6 | Very high | 97 | Very high | 64 Ų | 64 | 31.5 Ų | 31.5 | 53% | 0.529 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -24.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | D334 P335 | D334-A338 PolarHBondContact O-N 3.12Å; P335-A338 WeakPolarHBondContact O-CB 3.38Å; P335-A338 PolarHBondContact O-N 3.31Å |
| 339 | Q | 91.3 | Very high | 97 | Very high | 166 Ų | 166 | 31.6 Ų | 31.6 | 78% | 0.776 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -3.7 | 176.8 | -65 | -177.9 | -10.8 | 0 | 0 | 113.2 | I337 | I337-Q339 PolarHBondContact O-N 3.38Å; I337-Q339 VanDerWaalsContact O-N 3.16Å |
| 340 | M | 95.3 | Very high | 97 | Very high | 29 Ų | 29 | 31.6 Ų | 31.6 | 14% | 0.143 | 18% | 0.175 | C | C | . | . | trans | -88.2 | 154.6 | 178.6 | -61.6 | 177.7 | 70.7 | 0 | 0 | 110.4 | P228 L319 V325 I337 F342 | P228-M340 HydrophobicContact CG-CE 4.1Å; L319-M340 HydrophobicContact CB-CE 4.33Å; L319-M340 HydrophobicContact CB-SD 3.9Å; L319-M340 WeakPolarHBondContact O-CE 3.45Å; V325-M340 HydrophobicContact CG2-CE 4.33Å; I337-M340 HydrophobicContact CB-SD 3.99Å; I337-M340 HydrophobicContact CG2-SD 3.8Å; I337-M340 WeakPolarHBondContact O-CB 3.31Å; I337-M340 PolarHBondContact O-N 3.16Å; M340-F342 HydrophobicContact CB-CE2 3.81Å; M340-F342 HydrophobicContact CB-CZ 3.84Å; M340-F342 HydrophobicContact CE-CE1 3.81Å; M340-F342 HydrophobicContact CE-CZ 3.78Å; M340-F342 HydrophobicContact SD-CZ 3.99Å | ||
| 341 | Q | 95.2 | Very high | 96.9 | Very high | 84 Ų | 84 | 30.8 Ų | 30.8 | 39% | 0.393 | 17% | 0.171 | S | C | . | . | trans | -124.7 | 131.1 | 170.4 | -66.7 | -67.6 | -71.2 | 0 | 0 | 108 | N364 | Q341-N364 CarbonylContact C-O 3.59Å; Q341-N364 VanDerWaalsContact CA-O 3.31Å; Q341-N364 WeakPolarHBondContact CA-O 3.28Å | ||
| 342 | F | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -111.6 | 102.6 | -175.9 | -62.8 | -79.6 | 0 | 0 | 0 | 109.1 | P228 L230 V325 I337 M340 C344 V345 N364 G365 C366 | P228-F342 HydrophobicContact CB-CE1 4.31Å; L230-F342 HydrophobicContact CB-CB 3.66Å; L230-F342 HydrophobicContact CB-CD1 3.59Å; L230-F342 HydrophobicContact CB-CD2 4.16Å; L230-F342 HydrophobicContact CB-CE1 4.21Å; L230-F342 HydrophobicContact CB-CG 3.54Å; L230-F342 HydrophobicContact CD1-CD1 4.45Å; L230-F342 HydrophobicContact CD1-CD2 4.42Å; L230-F342 HydrophobicContact CD1-CE1 4.26Å; L230-F342 HydrophobicContact CD1-CE2 4.25Å; L230-F342 HydrophobicContact CD1-CZ 4.15Å; L230-F342 HydrophobicContact CD2-CB 4.23Å; L230-F342 HydrophobicContact CD2-CD2 3.77Å; L230-F342 HydrophobicContact CD2-CE2 4.25Å; L230-F342 HydrophobicContact CD2-CG 3.99Å; L230-F342 HydrophobicContact CG-CD1 4.45Å; L230-F342 HydrophobicContact CG-CD2 4.35Å; L230-F342 HydrophobicContact CG-CG 4.23Å; V325-F342 HydrophobicContact CB-CE1 4.09Å; V325-F342 HydrophobicContact CB-CZ 4.4Å; V325-F342 HydrophobicContact CG2-CE1 4.02Å; V325-F342 HydrophobicContact CG2-CZ 4.4Å; I337-F342 HydrophobicContact CB-CE2 4.38Å; I337-F342 HydrophobicContact CB-CZ 4.36Å; I337-F342 HydrophobicContact CD1-CE2 4.03Å; I337-F342 HydrophobicContact CD1-CZ 4.26Å; M340-F342 HydrophobicContact CB-CE2 3.81Å; M340-F342 HydrophobicContact CB-CZ 3.84Å; M340-F342 HydrophobicContact CE-CE1 3.81Å; M340-F342 HydrophobicContact CE-CZ 3.78Å; M340-F342 HydrophobicContact SD-CZ 3.99Å; F342-C344 VanDerWaalsContact C-N 3.28Å; F342-C344 PolarHBondContact O-N 2.85Å; F342-V345 HydrophobicContact CB-CG2 4.23Å; F342-N364 HydrophobicContact CD2-CB 4.12Å; F342-N364 PolarHBondContact N-O 2.92Å; F342-G365 CarbonylContact O-C 3.54Å; F342-C366 WeakPolarHBondContact O-CA 3.45Å; F342-C366 PolarHBondContact O-N 3.12Å | ||
| 343 | R | 97.5 | Very high | 96.8 | Very high | 84 Ų | 84 | 32.5 Ų | 32.5 | 32% | 0.317 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -59.5 | -42.7 | 178.2 | 179.7 | -177.5 | 173.5 | 82 | 9 | 111.4 | R367 Q368 | R343-R367 HydrophobicContact CG-CB 4.01Å; R343-R367 HydrophobicContact CG-CG 4.43Å; R343-R367 CarbonylContact O-C 3.55Å; R343-R367 WeakPolarHBondContact O-CA 3.49Å; R343-R367 PolarHBondContact O-N 2.82Å; R343-Q368 PolarHBondContact O-N 2.97Å |
| 344 | C | 98.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 127 | -178.1 | -62.4 | 0 | 0 | 0 | 0 | 109.3 | L221 Y225 V229 L230 F342 Q368 | L221-C344 HydrophobicContact CD1-CB 4.17Å; Y225-C344 WeakPolarHBondContact CD2-SG 3.44Å; Y225-C344 WeakPolarHBondContact CE2-SG 3.23Å; V229-C344 HydrophobicContact CG1-CB 4.1Å; V229-C344 HydrophobicContact CG2-CB 4.34Å; L230-C344 PolarHBondContact N-O 2.89Å; F342-C344 VanDerWaalsContact C-N 3.28Å; F342-C344 PolarHBondContact O-N 2.85Å; C344-Q368 WeakPolarHBondContact CA-O 3.29Å |
| 345 | V | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 122.3 | 177.9 | -179 | 0 | 0 | 0 | 0 | 108.5 | L230 F342 I347 P361 C366 Q368 L369 I370 | L230-V345 HydrophobicContact CB-CG2 4.26Å; L230-V345 HydrophobicContact CD2-CG1 4.46Å; L230-V345 HydrophobicContact CD2-CG2 4.31Å; L230-V345 WeakPolarHBondContact O-CA 3.2Å; F342-V345 HydrophobicContact CB-CG2 4.23Å; V345-I347 HydrophobicContact CG1-CD1 4.44Å; V345-I347 HydrophobicContact CG1-CG1 4Å; V345-P361 HydrophobicContact CG1-CB 3.94Å; V345-P361 HydrophobicContact CG1-CG 4.45Å; V345-C366 HydrophobicContact CB-CB 4.49Å; V345-C366 HydrophobicContact CG2-CB 3.77Å; V345-Q368 PolarHBondContact N-O 2.76Å; V345-L369 HydrophobicContact CB-CD1 4.15Å; V345-L369 HydrophobicContact CG1-CD1 4.13Å; V345-L369 WeakPolarHBondContact O-CA 3.09Å; V345-I370 PolarHBondContact O-N 3.29Å |
| 346 | L | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.9 | 168.8 | -176.9 | 146.8 | 0 | 0 | 0 | 109.3 | I217 V218 L230 V231 C232 L242 D348 I370 V372 | I217-L346 HydrophobicContact CB-CD1 4.39Å; I217-L346 HydrophobicContact CG2-CD1 4.19Å; V218-L346 HydrophobicContact CG2-CB 4.38Å; V218-L346 HydrophobicContact CG2-CD1 4.08Å; L230-L346 PolarHBondContact O-N 3.28Å; V231-L346 CarbonylContact C-O 3.53Å; V231-L346 WeakPolarHBondContact CA-O 3.45Å; V231-L346 HydrophobicContact CG1-CD2 4.34Å; C232-L346 PolarHBondContact N-O 2.86Å; L242-L346 HydrophobicContact CD2-CD2 3.9Å; L346-D348 HydrophobicContact CD2-CB 4.16Å; L346-I370 CarbonylContact C-O 3.54Å; L346-I370 WeakPolarHBondContact CA-O 3.39Å; L346-I370 HydrophobicContact CB-CB 4.28Å; L346-I370 HydrophobicContact CD1-CB 4.14Å; L346-I370 HydrophobicContact CD1-CG2 3.99Å; L346-I370 HydrophobicContact CG-CB 4.13Å; L346-I370 HydrophobicContact CG-CG2 4.29Å; L346-V372 HydrophobicContact CD1-CG2 4.33Å; L346-V372 HydrophobicContact CG-CG2 4.37Å |
| 347 | I | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 108.5 | 175 | -49.3 | -176.4 | 0 | 0 | 0 | 108.3 | C232 V345 C358 P361 V362 L369 I370 L371 V372 | C232-I347 HydrophobicContact CB-CG1 4.36Å; C232-I347 CarbonylContact O-C 3.43Å; C232-I347 VanDerWaalsContact O-CA 3.32Å; C232-I347 WeakPolarHBondContact O-CA 3.49Å; V345-I347 HydrophobicContact CG1-CD1 4.44Å; V345-I347 HydrophobicContact CG1-CG1 4Å; I347-C358 HydrophobicContact CD1-CB 4.07Å; I347-P361 HydrophobicContact CD1-CG 3.68Å; I347-P361 HydrophobicContact CG1-CG 4.28Å; I347-V362 HydrophobicContact CD1-CG2 4.11Å; I347-L369 HydrophobicContact CD1-CD1 4.37Å; I347-L369 HydrophobicContact CG1-CD1 4.45Å; I347-I370 PolarHBondContact N-O 3.09Å; I347-L371 HydrophobicContact CB-CD2 3.83Å; I347-L371 HydrophobicContact CD1-CD2 3.76Å; I347-L371 HydrophobicContact CG1-CD2 3.97Å; I347-V372 PolarHBondContact O-N 2.95Å |
| 348 | D | 98.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 150.6 | 174.1 | -157.4 | 18 | 0 | 0 | 0 | 110.8 | C232 A233 P234 L242 L346 S350 V372 | C232-D348 PolarHBondContact O-N 3.21Å; A233-D348 WeakPolarHBondContact CA-O 3.35Å; A233-D348 WeakPolarHBondContact CB-O 3.2Å; P234-D348 VanDerWaalsContact CD-O 3.28Å; P234-D348 WeakPolarHBondContact CD-O 3.42Å; L242-D348 HydrophobicContact CD2-CB 3.65Å; L346-D348 HydrophobicContact CD2-CB 4.16Å; D348-S350 PolarHBondContact O-N 3.18Å; D348-V372 CarbonylContact C-O 3.59Å; D348-V372 WeakPolarHBondContact OD1-CG1 3.13Å |
| 349 | E | 96.9 | Very high | 97.5 | Very high | 25 Ų | 25 | 23.1 Ų | 23.1 | 12% | 0.117 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 36.1 | -170.5 | -62.2 | -66 | 159.5 | 0 | 0 | 113 | K210 P234 A238 T351 Q352 V372 | K210-E349 WeakPolarHBondContact CE-OE1 3.49Å; K210-E349 IonicContact NZ-OE1 2.98Å; P234-E349 HydrophobicContact CG-CB 4.27Å; P234-E349 WeakPolarHBondContact CG-O 3.45Å; A238-E349 HydrophobicContact CB-CG 4.42Å; E349-T351 PolarHBondContact O-N 3.12Å; E349-T351 VanDerWaalsContact O-N 3.09Å; E349-Q352 WeakPolarHBondContact O-CB 3.34Å; E349-Q352 PolarHBondContact O-N 3.17Å; E349-Q352 PolarHBondContact OE2-NE2 3.1Å; E349-V372 CarbonylContact C-O 3.49Å; E349-V372 WeakPolarHBondContact CA-O 3.46Å; E349-V372 PolarHBondContact N-O 3.03Å |
| 350 | S | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.07 | C | C | . | . | G | 310 helix | trans | -62.4 | -21.2 | -174.9 | 66.3 | 0 | 0 | 0 | 0 | 113.6 | D348 Q352 A353 V372 F397 | D348-S350 PolarHBondContact O-N 3.18Å; S350-Q352 PolarHBondContact O-N 3.13Å; S350-A353 PolarHBondContact O-N 3Å; S350-V372 PolarHBondContact N-O 3.02Å; S350-V372 PolarHBondContact OG-O 2.96Å; S350-F397 WeakPolarHBondContact OG-CD2 3.35Å |
| 351 | T | 97.1 | Very high | 98 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.006 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -71.1 | -17.5 | 175.3 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | E349 D374 H375 G379 P380 F397 | E349-T351 PolarHBondContact O-N 3.12Å; E349-T351 VanDerWaalsContact O-N 3.09Å; T351-D374 PolarHBondContact OG1-N 2.77Å; T351-D374 PolarHBondContact OG1-O 3.12Å; T351-H375 HydrophobicContact CG2-CB 4.28Å; T351-G379 CarbonylContact O-C 3.57Å; T351-G379 VanDerWaalsContact O-CA 3.24Å; T351-G379 WeakPolarHBondContact O-CA 3.42Å; T351-P380 WeakPolarHBondContact O-CD 3.4Å; T351-F397 HydrophobicContact CG2-CB 3.74Å; T351-F397 HydrophobicContact CG2-CD1 3.69Å; T351-F397 HydrophobicContact CG2-CD2 4.21Å; T351-F397 HydrophobicContact CG2-CE1 4.37Å; T351-F397 HydrophobicContact CG2-CG 3.61Å |
| 352 | Q | 95.8 | Very high | 98.2 | Very high | 45 Ų | 45 | 10 Ų | 10 | 21% | 0.21 | 5% | 0.045 | C | C | . | . | G | 310 helix | trans | -90.8 | -6.5 | 174.9 | -62.1 | 179.9 | 41.8 | 0 | 0 | 113.1 | P234 E349 S350 P380 Q542 | P234-Q352 HydrophobicContact CG-CB 3.85Å; E349-Q352 WeakPolarHBondContact O-CB 3.34Å; E349-Q352 PolarHBondContact O-N 3.17Å; E349-Q352 PolarHBondContact OE2-NE2 3.1Å; S350-Q352 PolarHBondContact O-N 3.13Å; Q352-P380 VanDerWaalsContact O-CA 3.3Å; Q352-P380 WeakPolarHBondContact O-CA 3.46Å; Q352-P380 WeakPolarHBondContact O-CB 3.38Å; Q352-Q542 VanDerWaalsContact CG-NE2 3.32Å; Q352-Q542 VanDerWaalsContact NE2-CD 3.28Å |
| 353 | A | 97.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -97.2 | 142.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110 | P234 S350 E357 C358 S395 | P234-A353 HydrophobicContact CB-CB 4.04Å; P234-A353 HydrophobicContact CG-CB 4.28Å; S350-A353 PolarHBondContact O-N 3Å; A353-E357 HydrophobicContact CB-CB 4.44Å; A353-E357 HydrophobicContact CB-CG 4.17Å; A353-C358 VanDerWaalsContact CB-SG 3.52Å; A353-S395 WeakPolarHBondContact O-CB 3.3Å |
| 354 | T | 98.3 | Very high | 98.2 | Very high | 15 Ų | 15 | 6.8 Ų | 6.8 | 9% | 0.092 | 3% | 0.034 | C | C | . | . | trans | -65.3 | 155.5 | 168.6 | 63.4 | 0 | 0 | 0 | 0 | 109.3 | E357 C358 P380 V382 L392 | T354-E357 PolarHBondContact N-OE2 3.46Å; T354-E357 WeakPolarHBondContact O-CB 3.4Å; T354-E357 PolarHBondContact O-N 3.48Å; T354-E357 VanDerWaalsContact O-N 3.13Å; T354-E357 VanDerWaalsContact OG1-CB 3.3Å; T354-E357 WeakPolarHBondContact OG1-CB 3.41Å; T354-E357 PolarHBondContact OG1-N 2.91Å; T354-C358 PolarHBondContact O-N 3.2Å; T354-P380 HydrophobicContact CG2-CB 3.68Å; T354-P380 HydrophobicContact CG2-CG 4.17Å; T354-V382 HydrophobicContact CG2-CG2 4.09Å; T354-L392 HydrophobicContact CG2-CG 4.38Å | ||
| 355 | E | 98.3 | Very high | 98.1 | Very high | 1 Ų | 1 | 6.8 Ų | 6.8 | 1% | 0.005 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -57.4 | -46.7 | 177.9 | 171.1 | 159.1 | 175.3 | 0 | 0 | 113.3 | Y14 F18 E357 C358 M359 L396 R399 | Y14-E355 WeakPolarHBondContact CE2-OE1 3.38Å; Y14-E355 VanDerWaalsContact CZ-OE1 3.25Å; Y14-E355 VanDerWaalsContact OH-CD 3.26Å; Y14-E355 WeakPolarHBondContact OH-CG 3.47Å; Y14-E355 PolarHBondContact OH-OE1 2.94Å; F18-E355 HydrophobicContact CE1-CB 4Å; F18-E355 HydrophobicContact CE1-CG 4.16Å; F18-E355 HydrophobicContact CE2-CG 4.34Å; F18-E355 HydrophobicContact CZ-CB 4.02Å; F18-E355 VanDerWaalsContact CZ-CD 3.49Å; F18-E355 HydrophobicContact CZ-CG 3.76Å; E355-E357 PolarHBondContact O-N 3.32Å; E355-C358 WeakPolarHBondContact O-CB 3.38Å; E355-C358 PolarHBondContact O-N 2.78Å; E355-C358 VanDerWaalsContact O-N 3.12Å; E355-M359 WeakPolarHBondContact O-CG 3.45Å; E355-M359 PolarHBondContact O-N 3.42Å; E355-L396 HydrophobicContact CB-CB 4.05Å; E355-L396 HydrophobicContact CG-CB 3.91Å; E355-L396 HydrophobicContact CG-CD1 4.14Å; E355-L396 WeakPolarHBondContact OE1-CD1 3.46Å; E355-R399 IonicContact OE1-CZ 3.8Å; E355-R399 VanDerWaalsContact OE1-CZ 3.3Å; E355-R399 IonicContact OE1-NE 2.89Å; E355-R399 PolarHBondContact OE1-NE 3.36Å; E355-R399 IonicContact OE1-NH2 3Å; E355-R399 PolarHBondContact OE1-NH2 3.02Å; E355-R399 IonicContact OE2-CZ 2.85Å; E355-R399 IonicContact OE2-NE 2.75Å; E355-R399 PolarHBondContact OE2-NE 3.48Å; E355-R399 IonicContact OE2-NH2 3.97Å |
| 356 | P | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -61.5 | -29.9 | 175.3 | -25.2 | 35.9 | 0 | 0 | 0 | 114.2 | F18 I22 M135 M359 L392 | F18-P356 HydrophobicContact CB-CG 4.07Å; F18-P356 HydrophobicContact CD1-CG 3.39Å; F18-P356 HydrophobicContact CE1-CG 4Å; F18-P356 HydrophobicContact CG-CG 3.92Å; I22-P356 HydrophobicContact CD1-CB 3.65Å; I22-P356 HydrophobicContact CD1-CG 3.93Å; I22-P356 HydrophobicContact CG1-CB 4.13Å; I22-P356 HydrophobicContact CG1-CG 4.08Å; M135-P356 HydrophobicContact CB-CB 4.03Å; M135-P356 HydrophobicContact CG-CB 4.24Å; M135-P356 HydrophobicContact SD-CB 4.03Å; P356-M359 WeakPolarHBondContact O-CB 3.32Å; P356-M359 PolarHBondContact O-N 3.13Å; P356-L392 HydrophobicContact CG-CD1 4.15Å |
| 357 | E | 98.7 | Very high | 98 | Very high | 32 Ų | 32 | 11.5 Ų | 11.5 | 15% | 0.15 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -67.6 | -45 | 174.1 | 175.4 | 174.4 | -162.1 | 0 | 0 | 111.4 | M135 C329 V330 A353 T354 E355 M359 V360 P361 | M135-E357 HydrophobicContact CG-CB 4.42Å; M135-E357 HydrophobicContact SD-CB 3.83Å; C329-E357 HydrophobicContact CB-CG 3.52Å; C329-E357 WeakPolarHBondContact CB-O 3.29Å; V330-E357 HydrophobicContact CG2-CG 3.99Å; A353-E357 HydrophobicContact CB-CB 4.44Å; A353-E357 HydrophobicContact CB-CG 4.17Å; T354-E357 PolarHBondContact N-OE2 3.46Å; T354-E357 WeakPolarHBondContact O-CB 3.4Å; T354-E357 PolarHBondContact O-N 3.48Å; T354-E357 VanDerWaalsContact O-N 3.13Å; T354-E357 VanDerWaalsContact OG1-CB 3.3Å; T354-E357 WeakPolarHBondContact OG1-CB 3.41Å; T354-E357 PolarHBondContact OG1-N 2.91Å; E355-E357 PolarHBondContact O-N 3.32Å; E357-M359 PolarHBondContact O-N 3.43Å; E357-V360 WeakPolarHBondContact O-CB 3.35Å; E357-V360 PolarHBondContact O-N 3.39Å; E357-P361 WeakPolarHBondContact O-CD 3.45Å |
| 358 | C | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60 | -29.4 | 172.8 | -73.5 | 0 | 0 | 0 | 0 | 112.2 | I347 A353 T354 E355 V360 P361 V362 L396 | I347-C358 HydrophobicContact CD1-CB 4.07Å; A353-C358 VanDerWaalsContact CB-SG 3.52Å; T354-C358 PolarHBondContact O-N 3.2Å; E355-C358 WeakPolarHBondContact O-CB 3.38Å; E355-C358 PolarHBondContact O-N 2.78Å; E355-C358 VanDerWaalsContact O-N 3.12Å; C358-V360 VanDerWaalsContact C-N 3.28Å; C358-V360 PolarHBondContact O-N 3.06Å; C358-P361 WeakPolarHBondContact O-CD 3.38Å; C358-P361 VanDerWaalsContact O-CG 3.31Å; C358-P361 WeakPolarHBondContact O-CG 3.41Å; C358-V362 WeakPolarHBondContact O-CG2 3.46Å; C358-L396 HydrophobicContact CB-CB 4.34Å; C358-L396 HydrophobicContact CB-CD2 4.1Å |
| 359 | M | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -68.6 | -24.8 | 179.5 | -71 | -49 | -64.8 | 0 | 0 | 113.6 | Y14 A138 L142 I157 E355 P356 E357 V362 V363 L396 | Y14-M359 HydrophobicContact CE1-CG 4.37Å; Y14-M359 WeakPolarHBondContact OH-CG 3.26Å; A138-M359 HydrophobicContact CB-CB 4.38Å; L142-M359 HydrophobicContact CD1-CE 4.18Å; L142-M359 HydrophobicContact CD2-CE 4.09Å; I157-M359 HydrophobicContact CD1-CE 3.69Å; I157-M359 HydrophobicContact CD1-SD 4.03Å; I157-M359 HydrophobicContact CG1-SD 4.45Å; I157-M359 HydrophobicContact CG2-CE 4.29Å; I157-M359 HydrophobicContact CG2-SD 4.31Å; E355-M359 WeakPolarHBondContact O-CG 3.45Å; E355-M359 PolarHBondContact O-N 3.42Å; P356-M359 WeakPolarHBondContact O-CB 3.32Å; P356-M359 PolarHBondContact O-N 3.13Å; E357-M359 PolarHBondContact O-N 3.43Å; M359-V362 HydrophobicContact CE-CB 4.23Å; M359-V362 HydrophobicContact CE-CG1 3.86Å; M359-V362 PolarHBondContact O-N 2.98Å; M359-V362 VanDerWaalsContact O-N 3.16Å; M359-V362 HydrophobicContact SD-CB 4.26Å; M359-V362 HydrophobicContact SD-CG1 4.18Å; M359-V363 HydrophobicContact CE-CG1 3.72Å; M359-V363 WeakPolarHBondContact O-CG1 3.31Å; M359-V363 WeakPolarHBondContact O-CG2 3.43Å; M359-V363 PolarHBondContact O-N 3.26Å; M359-V363 VanDerWaalsContact O-N 3.1Å; M359-L396 HydrophobicContact SD-CD2 4.36Å |
| 360 | V | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 10.2 Ų | 10.2 | 2% | 0.024 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -56.2 | -52.2 | -179.6 | -177 | 0 | 0 | 0 | 0 | 113 | R134 M135 A138 C329 A332 E357 C358 | R134-V360 HydrophobicContact CB-CG1 4.46Å; R134-V360 HydrophobicContact CB-CG2 4.49Å; M135-V360 HydrophobicContact CG-CG2 4.05Å; A138-V360 HydrophobicContact CB-CB 4.37Å; A138-V360 HydrophobicContact CB-CG2 4.01Å; C329-V360 WeakPolarHBondContact O-CB 3.34Å; C329-V360 VanDerWaalsContact O-CG1 3.25Å; C329-V360 WeakPolarHBondContact O-CG1 3.24Å; A332-V360 HydrophobicContact CB-CG1 4.26Å; E357-V360 WeakPolarHBondContact O-CB 3.35Å; E357-V360 PolarHBondContact O-N 3.39Å; C358-V360 VanDerWaalsContact C-N 3.28Å; C358-V360 PolarHBondContact O-N 3.06Å |
| 361 | P | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -72.4 | -30 | 173.5 | 27.3 | -36 | 0 | 0 | 0 | 113.7 | L230 C232 C329 A332 V345 I347 E357 C358 N364 | L230-P361 HydrophobicContact CD2-CB 3.57Å; L230-P361 HydrophobicContact CG-CB 4.48Å; C232-P361 HydrophobicContact CB-CB 4.4Å; C232-P361 HydrophobicContact CB-CG 4.25Å; C329-P361 WeakPolarHBondContact O-CD 3.22Å; A332-P361 HydrophobicContact CB-CB 3.6Å; A332-P361 HydrophobicContact CB-CG 4.42Å; V345-P361 HydrophobicContact CG1-CB 3.94Å; V345-P361 HydrophobicContact CG1-CG 4.45Å; I347-P361 HydrophobicContact CD1-CG 3.68Å; I347-P361 HydrophobicContact CG1-CG 4.28Å; E357-P361 WeakPolarHBondContact O-CD 3.45Å; C358-P361 WeakPolarHBondContact O-CD 3.38Å; C358-P361 VanDerWaalsContact O-CG 3.31Å; C358-P361 WeakPolarHBondContact O-CG 3.41Å; P361-N364 PolarHBondContact O-N 3.27Å |
| 362 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -66.7 | -41 | -173.6 | 170.5 | 0 | 0 | 0 | 0 | 112 | V149 I153 I157 I347 C358 M359 N364 C366 L369 | V149-V362 HydrophobicContact CG1-CG1 3.54Å; V149-V362 WeakPolarHBondContact CG1-O 3.47Å; I153-V362 HydrophobicContact CG2-CG1 4.46Å; I157-V362 HydrophobicContact CD1-CG1 3.92Å; I347-V362 HydrophobicContact CD1-CG2 4.11Å; C358-V362 WeakPolarHBondContact O-CG2 3.46Å; M359-V362 HydrophobicContact CE-CB 4.23Å; M359-V362 HydrophobicContact CE-CG1 3.86Å; M359-V362 PolarHBondContact O-N 2.98Å; M359-V362 VanDerWaalsContact O-N 3.16Å; M359-V362 HydrophobicContact SD-CB 4.26Å; M359-V362 HydrophobicContact SD-CG1 4.18Å; V362-N364 PolarHBondContact O-N 3.4Å; V362-C366 HydrophobicContact CG1-CB 4.46Å; V362-C366 WeakPolarHBondContact O-CB 3.42Å; V362-C366 PolarHBondContact O-N 3.42Å; V362-L369 HydrophobicContact CG1-CD2 4.38Å; V362-L369 HydrophobicContact CG2-CD1 3.75Å; V362-L369 HydrophobicContact CG2-CD2 3.9Å; V362-L369 HydrophobicContact CG2-CG 4.49Å |
| 363 | V | 98.2 | Very high | 98.2 | Very high | 1 Ų | 1 | 8.1 Ų | 8.1 | 1% | 0.006 | 4% | 0.036 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 12.3 | -176.6 | -57.8 | 0 | 0 | 0 | 0 | 114.7 | A138 R141 L142 S148 M359 G365 | A138-V363 HydrophobicContact CB-CG2 3.8Å; R141-V363 HydrophobicContact CB-CB 4.32Å; R141-V363 HydrophobicContact CB-CG2 4.1Å; R141-V363 PolarHBondContact NH2-O 3.02Å; L142-V363 HydrophobicContact CB-CG1 4.05Å; L142-V363 HydrophobicContact CD1-CG1 4.26Å; S148-V363 WeakPolarHBondContact CB-O 3.23Å; S148-V363 CarbonylContact O-C 3.58Å; S148-V363 VanDerWaalsContact O-C 3.24Å; S148-V363 WeakPolarHBondContact O-CA 3.44Å; M359-V363 HydrophobicContact CE-CG1 3.72Å; M359-V363 WeakPolarHBondContact O-CG1 3.31Å; M359-V363 WeakPolarHBondContact O-CG2 3.43Å; M359-V363 PolarHBondContact O-N 3.26Å; M359-V363 VanDerWaalsContact O-N 3.1Å; V363-G365 VanDerWaalsContact C-N 3.31Å; V363-G365 PolarHBondContact O-N 2.77Å |
| 364 | N | 96.7 | Very high | 98.2 | Very high | 15 Ų | 15 | 8.1 Ų | 8.1 | 8% | 0.08 | 4% | 0.036 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 36.5 | 177.5 | -67.9 | -15.9 | 0 | 0 | 0 | 112 | A332 Q341 F342 P361 V362 | A332-N364 PolarHBondContact O-ND2 3.07Å; Q341-N364 CarbonylContact C-O 3.59Å; Q341-N364 VanDerWaalsContact CA-O 3.31Å; Q341-N364 WeakPolarHBondContact CA-O 3.28Å; F342-N364 HydrophobicContact CD2-CB 4.12Å; F342-N364 PolarHBondContact N-O 2.92Å; P361-N364 PolarHBondContact O-N 3.27Å; V362-N364 PolarHBondContact O-N 3.4Å |
| 365 | G | 96.9 | Very high | 98 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.035 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90 | 23.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S148 F342 V363 R367 | S148-G365 WeakPolarHBondContact O-CA 3.43Å; S148-G365 PolarHBondContact O-N 2.8Å; F342-G365 CarbonylContact O-C 3.54Å; V363-G365 VanDerWaalsContact C-N 3.31Å; V363-G365 PolarHBondContact O-N 2.77Å; G365-R367 PolarHBondContact O-N 2.87Å; G365-R367 PolarHBondContact O-NH1 2.96Å |
| 366 | C | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.036 | C | C | . | . | B | Isolated β-bridge | trans | -64.6 | 128.9 | -174.2 | -174.1 | 0 | 0 | 0 | 0 | 111.8 | S148 V149 S150 F342 V345 V362 Q368 | S148-C366 PolarHBondContact O-N 3.43Å; V149-C366 CarbonylContact C-O 3.59Å; V149-C366 WeakPolarHBondContact CA-O 3.45Å; V149-C366 HydrophobicContact CG1-CB 4.46Å; S150-C366 PolarHBondContact N-O 3.15Å; F342-C366 WeakPolarHBondContact O-CA 3.45Å; F342-C366 PolarHBondContact O-N 3.12Å; V345-C366 HydrophobicContact CB-CB 4.49Å; V345-C366 HydrophobicContact CG2-CB 3.77Å; V362-C366 HydrophobicContact CG1-CB 4.46Å; V362-C366 WeakPolarHBondContact O-CB 3.42Å; V362-C366 PolarHBondContact O-N 3.42Å; C366-Q368 VanDerWaalsContact SG-C 3.55Å; C366-Q368 PolarHBondContact SG-O 3.16Å; C366-Q368 VanDerWaalsContact SG-O 3.36Å |
| 367 | R | 97 | Very high | 97.7 | Very high | 99 Ų | 99 | 8.7 Ų | 8.7 | 37% | 0.374 | 4% | 0.038 | S | C | . | . | S | Bend | trans | -121.9 | -12.3 | 175.3 | -57.1 | 177.1 | 167.9 | 68.1 | -3.5 | 112.7 | I153 R343 G365 | I153-R367 VanDerWaalsContact CD1-C 3.43Å; R343-R367 HydrophobicContact CG-CB 4.01Å; R343-R367 HydrophobicContact CG-CG 4.43Å; R343-R367 CarbonylContact O-C 3.55Å; R343-R367 WeakPolarHBondContact O-CA 3.49Å; R343-R367 PolarHBondContact O-N 2.82Å; G365-R367 PolarHBondContact O-N 2.87Å; G365-R367 PolarHBondContact O-NH1 2.96Å |
| 368 | Q | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 3% | 0.033 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 114.1 | 170.4 | -169 | 171 | 23.1 | 0 | 0 | 109.6 | M167 V194 L195 R197 P198 R343 C344 V345 C366 I370 | M167-Q368 VanDerWaalsContact CE-CD 3.47Å; M167-Q368 HydrophobicContact CE-CG 4.35Å; M167-Q368 VanDerWaalsContact CE-NE2 3.31Å; M167-Q368 HydrophobicContact SD-CG 4.3Å; V194-Q368 PolarHBondContact O-NE2 3.48Å; L195-Q368 PolarHBondContact O-NE2 3.43Å; L195-Q368 VanDerWaalsContact O-NE2 3.13Å; R197-Q368 WeakPolarHBondContact O-CG 3.32Å; R197-Q368 PolarHBondContact O-NE2 3.3Å; R197-Q368 VanDerWaalsContact O-NE2 3.12Å; P198-Q368 CarbonylContact O-C 3.52Å; P198-Q368 VanDerWaalsContact O-CA 3.26Å; P198-Q368 WeakPolarHBondContact O-CA 3.14Å; R343-Q368 PolarHBondContact O-N 2.97Å; C344-Q368 WeakPolarHBondContact CA-O 3.29Å; V345-Q368 PolarHBondContact N-O 2.76Å; C366-Q368 VanDerWaalsContact SG-C 3.55Å; C366-Q368 PolarHBondContact SG-O 3.16Å; C366-Q368 VanDerWaalsContact SG-O 3.36Å; Q368-I370 HydrophobicContact CG-CD1 4.07Å |
| 369 | L | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 8.4 Ų | 8.4 | 1% | 0.005 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 124.3 | -176.9 | 179.4 | 57.9 | 0 | 0 | 0 | 111 | I153 P198 I199 S200 V345 I347 V362 L371 | I153-L369 HydrophobicContact CD1-CB 3.91Å; I153-L369 HydrophobicContact CG1-CB 4.48Å; I153-L369 HydrophobicContact CG2-CD2 4.2Å; P198-L369 PolarHBondContact O-N 3.25Å; I199-L369 CarbonylContact C-O 3.59Å; I199-L369 VanDerWaalsContact CA-O 3.28Å; I199-L369 WeakPolarHBondContact CA-O 3.44Å; I199-L369 HydrophobicContact CD1-CD2 4.13Å; I199-L369 HydrophobicContact CG1-CB 4.34Å; I199-L369 HydrophobicContact CG1-CD2 4.42Å; S200-L369 PolarHBondContact N-O 2.69Å; V345-L369 HydrophobicContact CB-CD1 4.15Å; V345-L369 HydrophobicContact CG1-CD1 4.13Å; V345-L369 WeakPolarHBondContact O-CA 3.09Å; I347-L369 HydrophobicContact CD1-CD1 4.37Å; I347-L369 HydrophobicContact CG1-CD1 4.45Å; V362-L369 HydrophobicContact CG1-CD2 4.38Å; V362-L369 HydrophobicContact CG2-CD1 3.75Å; V362-L369 HydrophobicContact CG2-CD2 3.9Å; V362-L369 HydrophobicContact CG2-CG 4.49Å; L369-L371 HydrophobicContact CD1-CD2 3.83Å; L369-L371 HydrophobicContact CD1-CG 4.41Å; L369-L371 HydrophobicContact CD2-CD2 4.34Å; L369-L371 HydrophobicContact CD2-CG 4.39Å; L369-L371 HydrophobicContact CG-CD2 4.12Å; L369-L371 HydrophobicContact CG-CG 4.17Å |
| 370 | I | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 8.9 Ų | 8.9 | 1% | 0.005 | 4% | 0.044 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 115.9 | 175.2 | -52.3 | 86.1 | 0 | 0 | 0 | 108 | V194 I202 I217 L221 V345 L346 I347 Q368 V372 | V194-I370 HydrophobicContact CG1-CB 4.23Å; V194-I370 HydrophobicContact CG1-CD1 4.39Å; V194-I370 HydrophobicContact CG1-CG1 3.31Å; V194-I370 HydrophobicContact CG1-CG2 3.84Å; I202-I370 HydrophobicContact CD1-CG2 4.2Å; I217-I370 HydrophobicContact CG2-CG1 4.41Å; L221-I370 HydrophobicContact CD1-CD1 3.79Å; V345-I370 PolarHBondContact O-N 3.29Å; L346-I370 CarbonylContact C-O 3.54Å; L346-I370 WeakPolarHBondContact CA-O 3.39Å; L346-I370 HydrophobicContact CB-CB 4.28Å; L346-I370 HydrophobicContact CD1-CB 4.14Å; L346-I370 HydrophobicContact CD1-CG2 3.99Å; L346-I370 HydrophobicContact CG-CB 4.13Å; L346-I370 HydrophobicContact CG-CG2 4.29Å; I347-I370 PolarHBondContact N-O 3.09Å; Q368-I370 HydrophobicContact CG-CD1 4.07Å; I370-V372 HydrophobicContact CG2-CG2 3.91Å |
| 371 | L | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 124.5 | 173.1 | -57.5 | 179.8 | 0 | 0 | 0 | 108.9 | S200 L201 I202 I347 L369 L396 F397 L400 | S200-L371 PolarHBondContact O-N 3.09Å; L201-L371 CarbonylContact C-O 3.5Å; L201-L371 WeakPolarHBondContact CA-O 3.29Å; L201-L371 HydrophobicContact CD2-CB 3.77Å; L201-L371 HydrophobicContact CD2-CD1 3.75Å; L201-L371 HydrophobicContact CD2-CG 4.14Å; I202-L371 PolarHBondContact N-O 2.86Å; I347-L371 HydrophobicContact CB-CD2 3.83Å; I347-L371 HydrophobicContact CD1-CD2 3.76Å; I347-L371 HydrophobicContact CG1-CD2 3.97Å; L369-L371 HydrophobicContact CD1-CD2 3.83Å; L369-L371 HydrophobicContact CD1-CG 4.41Å; L369-L371 HydrophobicContact CD2-CD2 4.34Å; L369-L371 HydrophobicContact CD2-CG 4.39Å; L369-L371 HydrophobicContact CG-CD2 4.12Å; L369-L371 HydrophobicContact CG-CG 4.17Å; L371-L396 HydrophobicContact CD1-CD2 3.89Å; L371-L396 HydrophobicContact CD1-CG 3.94Å; L371-F397 HydrophobicContact CB-CD2 3.87Å; L371-L400 HydrophobicContact CD1-CD1 3.82Å |
| 372 | V | 98.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129.7 | -179.4 | -171.4 | 0 | 0 | 0 | 0 | 108.3 | I202 K210 L346 I347 D348 E349 S350 I370 | I202-V372 HydrophobicContact CB-CG1 4.19Å; I202-V372 HydrophobicContact CB-CG2 4.18Å; I202-V372 HydrophobicContact CD1-CG2 4.25Å; I202-V372 HydrophobicContact CG2-CG1 4.26Å; I202-V372 WeakPolarHBondContact O-CA 3.35Å; K210-V372 HydrophobicContact CB-CG1 4.46Å; K210-V372 HydrophobicContact CD-CG1 4.1Å; K210-V372 HydrophobicContact CG-CG1 4.3Å; L346-V372 HydrophobicContact CD1-CG2 4.33Å; L346-V372 HydrophobicContact CG-CG2 4.37Å; I347-V372 PolarHBondContact O-N 2.95Å; D348-V372 CarbonylContact C-O 3.59Å; D348-V372 WeakPolarHBondContact OD1-CG1 3.13Å; E349-V372 CarbonylContact C-O 3.49Å; E349-V372 WeakPolarHBondContact CA-O 3.46Å; E349-V372 PolarHBondContact N-O 3.03Å; S350-V372 PolarHBondContact N-O 3.02Å; S350-V372 PolarHBondContact OG-O 2.96Å; I370-V372 HydrophobicContact CG2-CG2 3.91Å |
| 373 | G | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.8 | -167.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I202 Q203 G204 | I202-G373 PolarHBondContact O-N 3.26Å; I202-G373 VanDerWaalsContact O-N 3.07Å; Q203-G373 CarbonylContact C-O 3.59Å; Q203-G373 VanDerWaalsContact CA-O 3.3Å; Q203-G373 WeakPolarHBondContact CA-O 3.2Å; G204-G373 PolarHBondContact N-O 3.31Å |
| 374 | D | 97 | Very high | 95.9 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | trans | -145.1 | 107 | 173.3 | -173.5 | 11.9 | 0 | 0 | 0 | 110.6 | Q203 T351 C376 Q377 Y429 | Q203-D374 PolarHBondContact NE2-OD1 3.37Å; T351-D374 PolarHBondContact OG1-N 2.77Å; T351-D374 PolarHBondContact OG1-O 3.12Å; D374-C376 PolarHBondContact O-N 3.17Å; D374-C376 WeakPolarHBondContact OD1-CB 3.29Å; D374-C376 PolarHBondContact OD1-N 3.47Å; D374-C376 VanDerWaalsContact OD1-N 3.16Å; D374-Q377 HydrophobicContact CB-CB 4.38Å; D374-Q377 HydrophobicContact CB-CG 4.47Å; D374-Q377 PolarHBondContact O-N 2.72Å; D374-Q377 PolarHBondContact OD2-NE2 3.26Å; D374-Y429 PolarHBondContact OD2-OH 2.85Å | ||
| 375 | H | 95 | Very high | 95.7 | Very high | 17 Ų | 17 | 27.1 Ų | 27.1 | 8% | 0.079 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -10 | -178.5 | 61.6 | -77.9 | 0 | 0 | 0 | 112.9 | Q203 T351 Q377 F397 E398 R569 | Q203-H375 VanDerWaalsContact CD-CE1 3.41Å; Q203-H375 PolarHBondContact NE2-CE1 3.07Å; Q203-H375 VanDerWaalsContact NE2-CE1 3.31Å; T351-H375 HydrophobicContact CG2-CB 4.28Å; H375-Q377 VanDerWaalsContact C-N 3.27Å; H375-F397 HydrophobicContact CB-CD1 4.38Å; H375-F397 HydrophobicContact CB-CE1 4.46Å; H375-F397 AromaticContact ND1-CE1 3.64Å; H375-E398 HydrophobicContact CB-CG 3.7Å; H375-R569 VanDerWaalsContact O-CZ 3.31Å; H375-R569 PolarHBondContact O-NE 3.48Å; H375-R569 PolarHBondContact O-NH2 2.67Å |
| 376 | C | 95.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.02 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -4.4 | 169 | -59.5 | 0 | 0 | 0 | 0 | 112.4 | D374 F428 Y429 N572 L635 | D374-C376 PolarHBondContact O-N 3.17Å; D374-C376 WeakPolarHBondContact OD1-CB 3.29Å; D374-C376 PolarHBondContact OD1-N 3.47Å; D374-C376 VanDerWaalsContact OD1-N 3.16Å; C376-F428 HydrophobicContact CB-CB 4.33Å; C376-F428 PolarHBondContact SG-O 3.23Å; C376-Y429 HydrophobicContact CB-CE1 3.77Å; C376-N572 PolarHBondContact O-ND2 3.13Å; C376-L635 HydrophobicContact CB-CD1 4.33Å |
| 377 | Q | 95.4 | Very high | 95.5 | Very high | 8 Ų | 8 | 34.5 Ų | 34.5 | 4% | 0.037 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -110.6 | -168.6 | 172.1 | -72.6 | 179.8 | 66.2 | 0 | 0 | 110.3 | D374 H375 R569 V573 | D374-Q377 HydrophobicContact CB-CB 4.38Å; D374-Q377 HydrophobicContact CB-CG 4.47Å; D374-Q377 PolarHBondContact O-N 2.72Å; D374-Q377 PolarHBondContact OD2-NE2 3.26Å; H375-Q377 VanDerWaalsContact C-N 3.27Å; Q377-R569 WeakPolarHBondContact O-CB 3.4Å; Q377-R569 WeakPolarHBondContact O-CD 3.38Å; Q377-R569 WeakPolarHBondContact O-CG 3.45Å; Q377-V573 HydrophobicContact CB-CG2 3.89Å; Q377-V573 HydrophobicContact CG-CG2 3.8Å |
| 378 | L | 93.7 | Very high | 95.3 | Very high | 8 Ų | 8 | 30.7 Ų | 30.7 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | trans | -67.2 | 140 | -169.6 | -55.3 | 171.7 | 0 | 0 | 0 | 112.2 | D539 Q542 R569 R570 V573 | L378-D539 HydrophobicContact CD1-CB 4.03Å; L378-Q542 HydrophobicContact CD1-CB 4.29Å; L378-R569 HydrophobicContact CD2-CB 4.12Å; L378-R570 HydrophobicContact CD2-CB 4.39Å; L378-R570 HydrophobicContact CD2-CG 3.51Å; L378-V573 HydrophobicContact CD1-CG2 4.27Å; L378-V573 HydrophobicContact CG-CG2 3.89Å | ||
| 379 | G | 93.8 | Very high | 95.1 | Very high | 17 Ų | 17 | 39.7 Ų | 39.7 | 18% | 0.175 | 19% | 0.193 | C | C | . | . | trans | -82.4 | -173.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T351 | T351-G379 CarbonylContact O-C 3.57Å; T351-G379 VanDerWaalsContact O-CA 3.24Å; T351-G379 WeakPolarHBondContact O-CA 3.42Å | ||
| 380 | P | 95 | Very high | 94.9 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 7% | 0.071 | 19% | 0.194 | C | C | . | . | trans | -63.9 | 146.9 | 172.9 | 28.6 | -36.4 | 0 | 0 | 0 | 112.8 | T351 Q352 T354 N393 | T351-P380 WeakPolarHBondContact O-CD 3.4Å; Q352-P380 VanDerWaalsContact O-CA 3.3Å; Q352-P380 WeakPolarHBondContact O-CA 3.46Å; Q352-P380 WeakPolarHBondContact O-CB 3.38Å; T354-P380 HydrophobicContact CG2-CB 3.68Å; T354-P380 HydrophobicContact CG2-CG 4.17Å; P380-N393 VanDerWaalsContact CD-O 3.26Å; P380-N393 WeakPolarHBondContact CD-O 3.38Å; P380-N393 VanDerWaalsContact CG-O 3.29Å; P380-N393 WeakPolarHBondContact CG-O 3.09Å | ||
| 381 | V | 90.8 | Very high | 94.7 | Very high | 109 Ų | 109 | 39.9 Ų | 39.9 | 66% | 0.661 | 20% | 0.195 | S | C | * | . | trans | -86 | 116.3 | 175 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | M383 | V381-M383 HydrophobicContact CG1-SD 3.85Š| ||
| 382 | V | 93.6 | Very high | 94.5 | Very high | 22 Ų | 22 | 40.2 Ų | 40.2 | 13% | 0.133 | 20% | 0.196 | C | C | . | . | trans | -120.1 | 117.3 | 175.5 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | E25 T354 A387 A388 L392 N393 | E25-V382 WeakPolarHBondContact OE2-CG1 3.47Å; T354-V382 HydrophobicContact CG2-CG2 4.09Å; V382-A387 HydrophobicContact CG1-CB 4.06Å; V382-A388 HydrophobicContact CB-CB 4.1Å; V382-A388 HydrophobicContact CG1-CB 3.93Å; V382-L392 HydrophobicContact CG1-CB 4.34Å; V382-L392 HydrophobicContact CG1-CD2 4.1Å; V382-L392 HydrophobicContact CG1-CG 4.45Å; V382-L392 HydrophobicContact CG2-CB 4.26Å; V382-L392 HydrophobicContact CG2-CD2 4.42Å; V382-L392 HydrophobicContact CG2-CG 4.08Å; V382-N393 HydrophobicContact CB-CB 4.39Å; V382-N393 HydrophobicContact CG2-CB 4.05Å | ||
| 383 | M | 90.5 | Very high | 94.3 | Very high | 106 Ų | 106 | 43.2 Ų | 43.2 | 52% | 0.522 | 21% | 0.213 | S | C | . | . | trans | -82.5 | -35.3 | -172.7 | -59.9 | -61.1 | -70.9 | 0 | 0 | 111.6 | E25 Y28 V381 K385 | E25-M383 WeakPolarHBondContact OE1-CB 3.32Å; E25-M383 PolarHBondContact OE1-N 2.8Å; E25-M383 PolarHBondContact OE2-N 3.01Å; Y28-M383 HydrophobicContact CD1-CB 3.75Å; Y28-M383 HydrophobicContact CE1-CB 3.67Å; V381-M383 HydrophobicContact CG1-SD 3.85Å; M383-K385 PolarHBondContact O-N 3.41Å; M383-K385 VanDerWaalsContact O-N 3.1Å | ||
| 384 | C | 93.9 | Very high | 94.2 | Very high | 9 Ų | 9 | 44.1 Ų | 44.1 | 6% | 0.061 | 22% | 0.217 | C | C | . | . | trans | -72.4 | 104.9 | 176.2 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | E25 Y28 K386 A387 A388 | E25-C384 WeakPolarHBondContact OE2-CA 3.45Å; E25-C384 WeakPolarHBondContact OE2-CB 3.29Å; E25-C384 PolarHBondContact OE2-N 2.75Å; Y28-C384 HydrophobicContact CD1-CB 4.37Å; Y28-C384 HydrophobicContact CD2-CB 4.46Å; Y28-C384 HydrophobicContact CG-CB 3.94Å; C384-K386 PolarHBondContact O-N 2.84Å; C384-K386 VanDerWaalsContact O-N 3.07Å; C384-A387 HydrophobicContact CB-CB 3.95Å; C384-A387 PolarHBondContact O-N 3.44Å; C384-A388 PolarHBondContact O-N 3.2Å | ||
| 385 | K | 92.8 | Very high | 94.3 | Very high | 157 Ų | 157 | 44 Ų | 44 | 68% | 0.683 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -53.1 | -33.3 | 178.3 | -64.8 | -176.4 | -178.9 | 178.4 | 0 | 113.4 | M383 R389 | M383-K385 PolarHBondContact O-N 3.41Å; M383-K385 VanDerWaalsContact O-N 3.1Å; K385-R389 WeakPolarHBondContact O-CB 3.29Å; K385-R389 WeakPolarHBondContact O-CG 3.44Å; K385-R389 PolarHBondContact O-N 3.31Å |
| 386 | K | 94.8 | Very high | 94.4 | Very high | 154 Ų | 154 | 43.2 Ų | 43.2 | 67% | 0.67 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -68.2 | -45.5 | 176.7 | -68.9 | -177.3 | 179.1 | 179.6 | 0 | 111.3 | C384 R389 A390 | C384-K386 PolarHBondContact O-N 2.84Å; C384-K386 VanDerWaalsContact O-N 3.07Å; K386-R389 PolarHBondContact O-N 3.49Å; K386-A390 PolarHBondContact O-N 3.12Å; K386-A390 VanDerWaalsContact O-N 3.11Å |
| 387 | A | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.4 | -40.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L24 V382 C384 A390 G391 L392 | L24-A387 HydrophobicContact CB-CB 4.37Å; V382-A387 HydrophobicContact CG1-CB 4.06Å; C384-A387 HydrophobicContact CB-CB 3.95Å; C384-A387 PolarHBondContact O-N 3.44Å; A387-A390 WeakPolarHBondContact O-CB 3.02Å; A387-A390 PolarHBondContact O-N 3.04Å; A387-G391 PolarHBondContact O-N 3.01Å; A387-L392 HydrophobicContact CB-CB 4.26Å; A387-L392 HydrophobicContact CB-CD2 3.87Å; A387-L392 VanDerWaalsContact O-CB 3.29Å; A387-L392 WeakPolarHBondContact O-CB 3.4Å; A387-L392 PolarHBondContact O-N 3.27Å |
| 388 | A | 93.6 | Very high | 94.7 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 16% | 0.157 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -60.8 | -46.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V382 C384 A390 G391 N393 | V382-A388 HydrophobicContact CB-CB 4.1Å; V382-A388 HydrophobicContact CG1-CB 3.93Å; C384-A388 PolarHBondContact O-N 3.2Å; A388-A390 PolarHBondContact O-N 3.16Å; A388-G391 WeakPolarHBondContact O-CA 3.22Å; A388-G391 PolarHBondContact O-N 3.13Å; A388-N393 HydrophobicContact CB-CB 4.43Å; A388-N393 PolarHBondContact O-OD1 3.36Å |
| 389 | R | 93.1 | Very high | 94.8 | Very high | 190 Ų | 190 | 42.8 Ų | 42.8 | 72% | 0.717 | 21% | 0.21 | S | C | * | . | I | π-helix | trans | -63.4 | -26.8 | 175.6 | -74.7 | 173.4 | -176.4 | -178.6 | -0.9 | 113.6 | K385 K386 G391 L642 | K385-R389 WeakPolarHBondContact O-CB 3.29Å; K385-R389 WeakPolarHBondContact O-CG 3.44Å; K385-R389 PolarHBondContact O-N 3.31Å; K386-R389 PolarHBondContact O-N 3.49Å; R389-G391 PolarHBondContact O-N 2.88Å; R389-L642 WeakPolarHBondContact O-CD2 3.37Å |
| 390 | A | 95 | Very high | 95 | Very high | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.033 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -78 | -1.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | F2 I4 L21 K386 A387 A388 | F2-A390 VanDerWaalsContact O-CB 3.32Å; F2-A390 WeakPolarHBondContact O-CB 3.03Å; I4-A390 WeakPolarHBondContact CB-O 3.41Å; I4-A390 PolarHBondContact N-O 3.41Å; L21-A390 HydrophobicContact CD1-CB 4.04Å; L21-A390 HydrophobicContact CD2-CB 3.5Å; L21-A390 HydrophobicContact CG-CB 4.44Å; K386-A390 PolarHBondContact O-N 3.12Å; K386-A390 VanDerWaalsContact O-N 3.11Å; A387-A390 WeakPolarHBondContact O-CB 3.02Å; A387-A390 PolarHBondContact O-N 3.04Å; A388-A390 PolarHBondContact O-N 3.16Å |
| 391 | G | 94.2 | Very high | 95 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | 97.9 | 7.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | I4 A387 A388 R389 N393 Q394 | I4-G391 VanDerWaalsContact CD1-O 3.29Å; I4-G391 WeakPolarHBondContact CD1-O 3.5Å; A387-G391 PolarHBondContact O-N 3.01Å; A388-G391 WeakPolarHBondContact O-CA 3.22Å; A388-G391 PolarHBondContact O-N 3.13Å; R389-G391 PolarHBondContact O-N 2.88Å; G391-N393 PolarHBondContact O-N 3.26Å; G391-N393 VanDerWaalsContact O-N 3.07Å; G391-Q394 VanDerWaalsContact O-CB 3.24Å; G391-Q394 WeakPolarHBondContact O-CB 3.34Å; G391-Q394 PolarHBondContact O-N 2.9Å |
| 392 | L | 96.1 | Very high | 95.1 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -63.6 | -18.3 | -179.6 | -172.1 | 63 | 0 | 0 | 0 | 112.1 | I4 F18 L21 E25 T354 P356 V382 A387 Q394 | I4-L392 HydrophobicContact CD1-CB 4.39Å; F18-L392 HydrophobicContact CD1-CD1 4.23Å; F18-L392 HydrophobicContact CE1-CD1 4.49Å; L21-L392 HydrophobicContact CB-CD1 4.4Å; L21-L392 HydrophobicContact CB-CD2 4.25Å; E25-L392 HydrophobicContact CB-CD2 4.14Å; T354-L392 HydrophobicContact CG2-CG 4.38Å; P356-L392 HydrophobicContact CG-CD1 4.15Å; V382-L392 HydrophobicContact CG1-CB 4.34Å; V382-L392 HydrophobicContact CG1-CD2 4.1Å; V382-L392 HydrophobicContact CG1-CG 4.45Å; V382-L392 HydrophobicContact CG2-CB 4.26Å; V382-L392 HydrophobicContact CG2-CD2 4.42Å; V382-L392 HydrophobicContact CG2-CG 4.08Å; A387-L392 HydrophobicContact CB-CB 4.26Å; A387-L392 HydrophobicContact CB-CD2 3.87Å; A387-L392 VanDerWaalsContact O-CB 3.29Å; A387-L392 WeakPolarHBondContact O-CB 3.4Å; A387-L392 PolarHBondContact O-N 3.27Å; L392-Q394 VanDerWaalsContact C-N 3.25Å |
| 393 | N | 94.1 | Very high | 95.1 | Very high | 65 Ų | 65 | 40 Ų | 40 | 35% | 0.348 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -0.1 | 173.4 | 70.5 | -34.6 | 0 | 0 | 0 | 113.6 | P380 V382 A388 G391 | P380-N393 VanDerWaalsContact CD-O 3.26Å; P380-N393 WeakPolarHBondContact CD-O 3.38Å; P380-N393 VanDerWaalsContact CG-O 3.29Å; P380-N393 WeakPolarHBondContact CG-O 3.09Å; V382-N393 HydrophobicContact CB-CB 4.39Å; V382-N393 HydrophobicContact CG2-CB 4.05Å; A388-N393 HydrophobicContact CB-CB 4.43Å; A388-N393 PolarHBondContact O-OD1 3.36Å; G391-N393 PolarHBondContact O-N 3.26Å; G391-N393 VanDerWaalsContact O-N 3.07Å |
| 394 | Q | 95.9 | Very high | 95.2 | Very high | 18 Ų | 18 | 38 Ų | 38 | 8% | 0.084 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -87.1 | 128.6 | 168 | -174.1 | -178.7 | 48.6 | 0 | 0 | 108.9 | G391 L392 E398 R399 | G391-Q394 VanDerWaalsContact O-CB 3.24Å; G391-Q394 WeakPolarHBondContact O-CB 3.34Å; G391-Q394 PolarHBondContact O-N 2.9Å; L392-Q394 VanDerWaalsContact C-N 3.25Å; Q394-E398 HydrophobicContact CG-CB 3.97Å; Q394-R399 HydrophobicContact CG-CB 4.48Å |
| 395 | S | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -79.7 | 157.5 | 175 | 64.8 | 0 | 0 | 0 | 0 | 111.7 | A353 F397 E398 R399 | A353-S395 WeakPolarHBondContact O-CB 3.3Å; S395-F397 PolarHBondContact O-N 3.21Å; S395-E398 PolarHBondContact N-OE2 2.89Å; S395-E398 PolarHBondContact O-N 2.84Å; S395-E398 VanDerWaalsContact O-N 3.13Å; S395-E398 VanDerWaalsContact OG-CG 3.27Å; S395-E398 WeakPolarHBondContact OG-CG 3.41Å; S395-E398 PolarHBondContact OG-N 2.8Å; S395-E398 PolarHBondContact OG-OE2 2.79Å; S395-R399 PolarHBondContact O-N 3.33Å | ||
| 396 | L | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.9 | -39.8 | 172 | 176.2 | 60.9 | 0 | 0 | 0 | 111.1 | E355 C358 M359 L371 E398 R399 L400 | E355-L396 HydrophobicContact CB-CB 4.05Å; E355-L396 HydrophobicContact CG-CB 3.91Å; E355-L396 HydrophobicContact CG-CD1 4.14Å; E355-L396 WeakPolarHBondContact OE1-CD1 3.46Å; C358-L396 HydrophobicContact CB-CB 4.34Å; C358-L396 HydrophobicContact CB-CD2 4.1Å; M359-L396 HydrophobicContact SD-CD2 4.36Å; L371-L396 HydrophobicContact CD1-CD2 3.89Å; L371-L396 HydrophobicContact CD1-CG 3.94Å; L396-E398 VanDerWaalsContact C-N 3.33Å; L396-E398 PolarHBondContact O-N 3.03Å; L396-R399 PolarHBondContact O-N 3.08Å; L396-L400 HydrophobicContact CD1-CD1 3.93Å; L396-L400 HydrophobicContact CD1-CD2 4.37Å; L396-L400 HydrophobicContact CD1-CG 3.91Å; L396-L400 HydrophobicContact CG-CD1 3.9Å; L396-L400 HydrophobicContact CG-CG 4.28Å; L396-L400 WeakPolarHBondContact O-CB 3.21Å; L396-L400 WeakPolarHBondContact O-CG 3.35Å; L396-L400 PolarHBondContact O-N 3.43Å |
| 397 | F | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.7 | -49.6 | 177.6 | -172.8 | -71.8 | 0 | 0 | 0 | 110.8 | L201 I202 Q203 S350 T351 L371 H375 S395 L400 V401 P407 | L201-F397 HydrophobicContact CB-CD2 4.37Å; L201-F397 HydrophobicContact CB-CE2 3.78Å; L201-F397 HydrophobicContact CB-CZ 3.91Å; L201-F397 HydrophobicContact CD2-CD2 4.08Å; L201-F397 HydrophobicContact CD2-CE2 4.34Å; I202-F397 WeakPolarHBondContact O-CE2 3.36Å; Q203-F397 HydrophobicContact CB-CZ 4.37Å; S350-F397 WeakPolarHBondContact OG-CD2 3.35Å; T351-F397 HydrophobicContact CG2-CB 3.74Å; T351-F397 HydrophobicContact CG2-CD1 3.69Å; T351-F397 HydrophobicContact CG2-CD2 4.21Å; T351-F397 HydrophobicContact CG2-CE1 4.37Å; T351-F397 HydrophobicContact CG2-CG 3.61Å; L371-F397 HydrophobicContact CB-CD2 3.87Å; H375-F397 HydrophobicContact CB-CD1 4.38Å; H375-F397 HydrophobicContact CB-CE1 4.46Å; H375-F397 AromaticContact ND1-CE1 3.64Å; S395-F397 PolarHBondContact O-N 3.21Å; F397-L400 PolarHBondContact O-N 2.94Å; F397-V401 HydrophobicContact CD1-CG2 4.03Å; F397-V401 HydrophobicContact CE1-CG2 3.86Å; F397-V401 WeakPolarHBondContact O-CG2 3.41Å; F397-V401 PolarHBondContact O-N 2.91Å; F397-P407 HydrophobicContact CE1-CB 4.41Å; F397-P407 HydrophobicContact CE1-CG 3.96Å; F397-P407 HydrophobicContact CZ-CB 4.02Å; F397-P407 HydrophobicContact CZ-CG 4.05Å |
| 398 | E | 97.1 | Very high | 95.5 | Very high | 9 Ų | 9 | 35.7 Ų | 35.7 | 4% | 0.042 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66 | -44.8 | -179 | -71.5 | 159.4 | 149.5 | 0 | 0 | 112.4 | H375 Q394 S395 L396 L400 V401 V402 R569 | H375-E398 HydrophobicContact CB-CG 3.7Å; Q394-E398 HydrophobicContact CG-CB 3.97Å; S395-E398 PolarHBondContact N-OE2 2.89Å; S395-E398 PolarHBondContact O-N 2.84Å; S395-E398 VanDerWaalsContact O-N 3.13Å; S395-E398 VanDerWaalsContact OG-CG 3.27Å; S395-E398 WeakPolarHBondContact OG-CG 3.41Å; S395-E398 PolarHBondContact OG-N 2.8Å; S395-E398 PolarHBondContact OG-OE2 2.79Å; L396-E398 VanDerWaalsContact C-N 3.33Å; L396-E398 PolarHBondContact O-N 3.03Å; E398-L400 VanDerWaalsContact C-N 3.26Å; E398-L400 PolarHBondContact O-N 2.94Å; E398-V401 WeakPolarHBondContact O-CB 3.46Å; E398-V401 PolarHBondContact O-N 3.07Å; E398-V401 VanDerWaalsContact O-N 3.1Å; E398-V402 WeakPolarHBondContact O-CG2 3.5Å; E398-V402 PolarHBondContact O-N 2.77Å; E398-R569 IonicContact OE1-CZ 3.04Å; E398-R569 IonicContact OE1-NH1 3.32Å; E398-R569 PolarHBondContact OE1-NH1 2.89Å; E398-R569 IonicContact OE1-NH2 2.61Å; E398-R569 PolarHBondContact OE1-NH2 3.17Å |
| 399 | R | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.8 | -39.5 | 178.2 | -169.1 | 179.2 | 61.3 | 80.8 | 4.2 | 111.2 | C6 I157 E355 Q394 S395 L396 V401 V402 L403 | C6-R399 PolarHBondContact O-NH1 3.13Å; I157-R399 VanDerWaalsContact O-CZ 3.27Å; I157-R399 PolarHBondContact O-NH1 2.83Å; I157-R399 PolarHBondContact O-NH2 3.3Å; E355-R399 IonicContact OE1-CZ 3.8Å; E355-R399 VanDerWaalsContact OE1-CZ 3.3Å; E355-R399 IonicContact OE1-NE 2.89Å; E355-R399 PolarHBondContact OE1-NE 3.36Å; E355-R399 IonicContact OE1-NH2 3Å; E355-R399 PolarHBondContact OE1-NH2 3.02Å; E355-R399 IonicContact OE2-CZ 2.85Å; E355-R399 IonicContact OE2-NE 2.75Å; E355-R399 PolarHBondContact OE2-NE 3.48Å; E355-R399 IonicContact OE2-NH2 3.97Å; Q394-R399 HydrophobicContact CG-CB 4.48Å; S395-R399 PolarHBondContact O-N 3.33Å; L396-R399 PolarHBondContact O-N 3.08Å; R399-V401 VanDerWaalsContact C-N 3.34Å; R399-V401 PolarHBondContact O-N 2.98Å; R399-V402 PolarHBondContact O-N 3.1Å; R399-L403 HydrophobicContact CG-CD1 4.42Å; R399-L403 WeakPolarHBondContact O-CG 3.41Å; R399-L403 PolarHBondContact O-N 2.9Å |
| 400 | L | 96.7 | Very high | 96 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.4 | -33.7 | 175.6 | -69.7 | 177.4 | 0 | 0 | 0 | 112.9 | R156 I199 L201 L371 L396 F397 E398 L403 G404 I405 | R156-L400 WeakPolarHBondContact O-CD2 3.47Å; I199-L400 HydrophobicContact CD1-CD1 3.82Å; L201-L400 HydrophobicContact CD1-CB 3.9Å; L201-L400 HydrophobicContact CD2-CB 4.42Å; L201-L400 HydrophobicContact CD2-CD1 4.01Å; L371-L400 HydrophobicContact CD1-CD1 3.82Å; L396-L400 HydrophobicContact CD1-CD1 3.93Å; L396-L400 HydrophobicContact CD1-CD2 4.37Å; L396-L400 HydrophobicContact CD1-CG 3.91Å; L396-L400 HydrophobicContact CG-CD1 3.9Å; L396-L400 HydrophobicContact CG-CG 4.28Å; L396-L400 WeakPolarHBondContact O-CB 3.21Å; L396-L400 WeakPolarHBondContact O-CG 3.35Å; L396-L400 PolarHBondContact O-N 3.43Å; F397-L400 PolarHBondContact O-N 2.94Å; E398-L400 VanDerWaalsContact C-N 3.26Å; E398-L400 PolarHBondContact O-N 2.94Å; L400-L403 HydrophobicContact CD2-CD1 4.11Å; L400-L403 PolarHBondContact O-N 2.88Å; L400-G404 PolarHBondContact O-N 3.36Å; L400-I405 HydrophobicContact CB-CB 4.48Å; L400-I405 HydrophobicContact CB-CD1 4.04Å; L400-I405 HydrophobicContact CB-CG1 4.47Å; L400-I405 HydrophobicContact CD1-CD1 4.47Å; L400-I405 HydrophobicContact CD2-CD1 3.82Å; L400-I405 HydrophobicContact CG-CD1 4.32Å; L400-I405 VanDerWaalsContact O-CB 3.31Å; L400-I405 WeakPolarHBondContact O-CB 3.49Å; L400-I405 WeakPolarHBondContact O-CG1 3.34Å; L400-I405 PolarHBondContact O-N 3.27Å |
| 401 | V | 96 | Very high | 96.1 | Very high | 18 Ų | 18 | 31.1 Ų | 31.1 | 11% | 0.109 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.7 | -46.5 | 170.5 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | L201 F397 E398 R399 L403 G404 P407 | L201-V401 HydrophobicContact CD1-CG2 3.75Å; F397-V401 HydrophobicContact CD1-CG2 4.03Å; F397-V401 HydrophobicContact CE1-CG2 3.86Å; F397-V401 WeakPolarHBondContact O-CG2 3.41Å; F397-V401 PolarHBondContact O-N 2.91Å; E398-V401 WeakPolarHBondContact O-CB 3.46Å; E398-V401 PolarHBondContact O-N 3.07Å; E398-V401 VanDerWaalsContact O-N 3.1Å; R399-V401 VanDerWaalsContact C-N 3.34Å; R399-V401 PolarHBondContact O-N 2.98Å; V401-L403 PolarHBondContact O-N 2.9Å; V401-G404 WeakPolarHBondContact O-CA 3.42Å; V401-G404 PolarHBondContact O-N 3.07Å; V401-P407 HydrophobicContact CG2-CG 3.36Å |
| 402 | V | 93.6 | Very high | 96.3 | Very high | 52 Ų | 52 | 31.5 Ų | 31.5 | 32% | 0.315 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -61.4 | -33.7 | 177.1 | 177 | 0 | 0 | 0 | 0 | 111.7 | C6 E398 R399 G404 A639 | C6-V402 VanDerWaalsContact SG-CG1 3.52Å; E398-V402 WeakPolarHBondContact O-CG2 3.5Å; E398-V402 PolarHBondContact O-N 2.77Å; R399-V402 PolarHBondContact O-N 3.1Å; V402-G404 PolarHBondContact O-N 3.44Å; V402-A639 HydrophobicContact CG2-CB 3.42Å; V402-A639 VanDerWaalsContact CG2-CB 3.42Å |
| 403 | L | 93.5 | Very high | 96.4 | Very high | 32 Ų | 32 | 31.2 Ų | 31.2 | 17% | 0.168 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 1.5 | 173.8 | -73.6 | 167.6 | 0 | 0 | 0 | 114.3 | C6 R7 G159 R399 L400 V401 | C6-L403 HydrophobicContact CB-CD2 3.91Å; C6-L403 HydrophobicContact CB-CG 4.39Å; C6-L403 WeakPolarHBondContact O-CD1 3.5Å; C6-L403 WeakPolarHBondContact O-CD2 3.28Å; R7-L403 HydrophobicContact CG-CD2 3.69Å; G159-L403 VanDerWaalsContact CA-CD1 3.5Å; R399-L403 HydrophobicContact CG-CD1 4.42Å; R399-L403 WeakPolarHBondContact O-CG 3.41Å; R399-L403 PolarHBondContact O-N 2.9Å; L400-L403 HydrophobicContact CD2-CD1 4.11Å; L400-L403 PolarHBondContact O-N 2.88Å; V401-L403 PolarHBondContact O-N 2.9Å |
| 404 | G | 91.5 | Very high | 96.5 | Very high | 62 Ų | 62 | 32.3 Ų | 32.3 | 64% | 0.639 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | 3.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L400 V401 V402 R406 | L400-G404 PolarHBondContact O-N 3.36Å; V401-G404 WeakPolarHBondContact O-CA 3.42Å; V401-G404 PolarHBondContact O-N 3.07Å; V402-G404 PolarHBondContact O-N 3.44Å; G404-R406 PolarHBondContact O-N 2.89Å |
| 405 | I | 93.2 | Very high | 96.5 | Very high | 27 Ų | 27 | 32.7 Ų | 32.7 | 14% | 0.138 | 16% | 0.162 | C | C | . | . | trans | -74.6 | 102.2 | 174 | -51.2 | -172.7 | 0 | 0 | 0 | 108.5 | R156 L201 L400 P407 | R156-I405 HydrophobicContact CB-CD1 4.4Å; R156-I405 HydrophobicContact CG-CD1 4.45Å; L201-I405 HydrophobicContact CD1-CB 3.99Å; L201-I405 HydrophobicContact CD1-CG2 3.86Å; L201-I405 HydrophobicContact CG-CG2 3.87Å; L400-I405 HydrophobicContact CB-CB 4.48Å; L400-I405 HydrophobicContact CB-CD1 4.04Å; L400-I405 HydrophobicContact CB-CG1 4.47Å; L400-I405 HydrophobicContact CD1-CD1 4.47Å; L400-I405 HydrophobicContact CD2-CD1 3.82Å; L400-I405 HydrophobicContact CG-CD1 4.32Å; L400-I405 VanDerWaalsContact O-CB 3.31Å; L400-I405 WeakPolarHBondContact O-CB 3.49Å; L400-I405 WeakPolarHBondContact O-CG1 3.34Å; L400-I405 PolarHBondContact O-N 3.27Å; I405-P407 VanDerWaalsContact O-CD 3.27Å; I405-P407 WeakPolarHBondContact O-CD 3.36Å | ||
| 406 | R | 94.7 | Very high | 96.5 | Very high | 213 Ų | 213 | 32.7 Ų | 32.7 | 80% | 0.804 | 16% | 0.162 | S | C | * | . | trans | -69.5 | 121.1 | -179.3 | -171.1 | 174 | -178.1 | 172.7 | 2.7 | 111.5 | G404 | G404-R406 PolarHBondContact O-N 2.89Š| ||
| 407 | P | 97.6 | Very high | 96.6 | Very high | 19 Ų | 19 | 32.9 Ų | 32.9 | 12% | 0.123 | 16% | 0.164 | C | C | . | . | trans | -66.2 | 143.5 | 173.2 | -21.1 | 34.3 | 0 | 0 | 0 | 112.6 | L201 Q203 F397 V401 I405 R409 | L201-P407 HydrophobicContact CB-CB 4.06Å; L201-P407 HydrophobicContact CB-CG 4.23Å; L201-P407 HydrophobicContact CD1-CG 4.27Å; L201-P407 WeakPolarHBondContact O-CA 3.46Å; Q203-P407 HydrophobicContact CB-CB 3.81Å; F397-P407 HydrophobicContact CE1-CB 4.41Å; F397-P407 HydrophobicContact CE1-CG 3.96Å; F397-P407 HydrophobicContact CZ-CB 4.02Å; F397-P407 HydrophobicContact CZ-CG 4.05Å; V401-P407 HydrophobicContact CG2-CG 3.36Å; I405-P407 VanDerWaalsContact O-CD 3.27Å; I405-P407 WeakPolarHBondContact O-CD 3.36Å; P407-R409 PolarHBondContact O-N 3.33Å | ||
| 408 | I | 98.3 | Very high | 96.5 | Very high | 14 Ų | 14 | 34 Ų | 34 | 7% | 0.072 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 104.8 | 167.4 | -53.3 | 166.9 | 0 | 0 | 0 | 107 | F189 A190 T193 V194 L201 I202 Q203 | F189-I408 HydrophobicContact CD1-CG2 3.77Å; F189-I408 HydrophobicContact CE1-CG2 3.95Å; A190-I408 HydrophobicContact CB-CG2 3.79Å; T193-I408 HydrophobicContact CG2-CD1 3.66Å; V194-I408 HydrophobicContact CG2-CD1 3.88Å; L201-I408 PolarHBondContact O-N 3.25Å; I202-I408 CarbonylContact C-O 3.55Å; I202-I408 WeakPolarHBondContact CA-O 3.38Å; Q203-I408 PolarHBondContact N-O 2.98Å |
| 409 | R | 98.1 | Very high | 96.6 | Very high | 49 Ų | 49 | 34.3 Ų | 34.3 | 19% | 0.185 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 126 | 179.8 | -167.8 | -178.6 | -63.9 | 152.2 | -2.7 | 110.4 | Q203 P205 P407 E430 S432 | Q203-R409 HydrophobicContact CB-CB 4.38Å; Q203-R409 HydrophobicContact CB-CG 4.4Å; Q203-R409 HydrophobicContact CG-CG 4.41Å; Q203-R409 CarbonylContact O-C 3.44Å; Q203-R409 WeakPolarHBondContact O-CA 3.31Å; P205-R409 HydrophobicContact CG-CG 4.1Å; P407-R409 PolarHBondContact O-N 3.33Å; R409-E430 IonicContact CZ-OE1 3.61Å; R409-E430 IonicContact CZ-OE2 3.63Å; R409-E430 IonicContact NH1-OE1 2.77Å; R409-E430 IonicContact NH1-OE2 2.66Å; R409-E430 PolarHBondContact NH1-OE2 2.85Å; R409-E430 IonicContact NH2-OE1 3.2Å; R409-E430 PolarHBondContact NH2-OE1 3.38Å; R409-E430 IonicContact NH2-OE2 2.78Å; R409-S432 PolarHBondContact NH1-OG 2.93Å |
| 410 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -73.6 | 133.2 | 167.1 | -55.9 | -176.9 | 0 | 0 | 0 | 109.1 | Q187 A190 I202 Q203 P205 T208 K210 T213 | Q187-L410 HydrophobicContact CG-CD2 4.05Å; A190-L410 HydrophobicContact CB-CD2 3.98Å; I202-L410 HydrophobicContact CG2-CD1 4.32Å; I202-L410 HydrophobicContact CG2-CD2 4.18Å; I202-L410 HydrophobicContact CG2-CG 4.01Å; Q203-L410 PolarHBondContact O-N 3.14Å; P205-L410 WeakPolarHBondContact CD-O 3.43Å; T208-L410 HydrophobicContact CG2-CB 4.36Å; K210-L410 HydrophobicContact CG-CD1 4.38Å; T213-L410 HydrophobicContact CG2-CD2 4.4Å | ||
| 411 | Q | 98 | Very high | 96.7 | Very high | 67 Ų | 67 | 34.7 Ų | 34.7 | 31% | 0.313 | 18% | 0.177 | S | C | . | . | trans | -109.6 | -14.6 | -163.1 | -67.1 | 178.4 | -10 | 0 | 0 | 114.7 | H185 S186 L433 Q434 | H185-Q411 PolarHBondContact NE2-OE1 3.13Å; S186-Q411 PolarHBondContact OG-N 2.92Å; S186-Q411 VanDerWaalsContact OG-N 3.09Å; Q411-L433 CarbonylContact O-C 3.49Å; Q411-L433 WeakPolarHBondContact O-CA 3.14Å; Q411-Q434 PolarHBondContact O-N 3.06Å | ||
| 412 | V | 98.5 | Very high | 96.8 | Very high | 10 Ų | 10 | 35.4 Ų | 35.4 | 6% | 0.061 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 116.7 | -174.8 | -171.7 | 0 | 0 | 0 | 0 | 110.1 | N184 T208 Y414 Q434 G436 | N184-V412 HydrophobicContact CB-CG2 4.4Å; T208-V412 VanDerWaalsContact CA-O 3.23Å; T208-V412 WeakPolarHBondContact CA-O 3.21Å; V412-Y414 HydrophobicContact CB-CE2 4.12Å; V412-Y414 HydrophobicContact CG1-CE1 4.13Å; V412-Y414 HydrophobicContact CG1-CE2 3.9Å; V412-Y414 WeakPolarHBondContact O-CE2 3.36Å; V412-Q434 CarbonylContact C-O 3.59Å; V412-Q434 WeakPolarHBondContact CA-O 3.35Å; V412-Q434 HydrophobicContact CG2-CB 4.35Å; V412-G436 VanDerWaalsContact CG1-CA 3.48Å |
| 413 | Q | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 136.7 | 178.4 | 79.5 | 80.4 | 20.5 | 0 | 0 | 111.2 | P206 T208 M416 Q434 N435 G436 | P206-Q413 WeakPolarHBondContact O-CB 3.21Å; T208-Q413 HydrophobicContact CG2-CB 4.16Å; Q413-M416 HydrophobicContact CG-CE 4.28Å; Q413-M416 PolarHBondContact NE2-O 3.45Å; Q413-Q434 PolarHBondContact N-O 2.95Å; Q413-N435 WeakPolarHBondContact CG-OD1 3.5Å; Q413-N435 PolarHBondContact NE2-OD1 2.75Å; Q413-G436 PolarHBondContact O-N 2.79Å |
| 414 | Y | 97.2 | Very high | 97.2 | Very high | 88 Ų | 88 | 32.1 Ų | 32.1 | 35% | 0.345 | 17% | 0.165 | S | C | . | . | trans | -117.8 | 13.5 | -179.7 | -57.9 | -90.6 | 0 | 0 | 0 | 112.7 | N184 G207 V412 G436 V437 R442 | N184-Y414 PolarHBondContact ND2-OH 3.26Å; N184-Y414 VanDerWaalsContact ND2-OH 3.12Å; G207-Y414 WeakPolarHBondContact O-CD2 3.25Å; G207-Y414 PolarHBondContact O-N 2.72Å; V412-Y414 HydrophobicContact CB-CE2 4.12Å; V412-Y414 HydrophobicContact CG1-CE1 4.13Å; V412-Y414 HydrophobicContact CG1-CE2 3.9Å; V412-Y414 WeakPolarHBondContact O-CE2 3.36Å; Y414-G436 WeakPolarHBondContact CD1-O 3.42Å; Y414-V437 HydrophobicContact CD1-CG1 4.36Å; Y414-R442 PolarHBondContact O-NH2 2.79Å | ||
| 415 | R | 95.9 | Very high | 97.5 | Very high | 26 Ų | 26 | 29.4 Ų | 29.4 | 10% | 0.098 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -98.1 | -61.1 | -174.5 | -179.8 | -176.1 | -70.2 | 163.2 | -1.4 | 112.1 | R442 E545 T576 R579 | R415-R442 WeakPolarHBondContact O-CD 3.48Å; R415-R442 PolarHBondContact O-NE 3.07Å; R415-E545 IonicContact CZ-OE1 3.89Å; R415-E545 IonicContact CZ-OE2 3.33Å; R415-E545 IonicContact NE-OE1 3.67Å; R415-E545 PolarHBondContact NE-OE1 3.36Å; R415-E545 IonicContact NE-OE2 2.86Å; R415-E545 PolarHBondContact NE-OE2 2.91Å; R415-E545 IonicContact NH2-OE1 2.86Å; R415-E545 IonicContact NH2-OE2 3.1Å; R415-E545 PolarHBondContact NH2-OE2 3.18Å; R415-T576 WeakPolarHBondContact CD-O 3.23Å; R415-T576 PolarHBondContact NH1-O 3.4Å; R415-T576 VanDerWaalsContact NH1-O 3.16Å; R415-R579 HydrophobicContact CG-CG 3.8Å |
| 416 | M | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -85.5 | 149.7 | -166.4 | -65.1 | 171.4 | -70.3 | 0 | 0 | 111 | P206 Q413 L420 V437 T576 A578 | P206-M416 HydrophobicContact CB-CE 4.31Å; Q413-M416 HydrophobicContact CG-CE 4.28Å; Q413-M416 PolarHBondContact NE2-O 3.45Å; M416-L420 HydrophobicContact CB-CB 4.12Å; M416-V437 WeakPolarHBondContact O-CG2 3.44Å; M416-T576 HydrophobicContact CE-CG2 4.28Å; M416-T576 HydrophobicContact SD-CG2 3.81Å; M416-A578 WeakPolarHBondContact CG-O 3.26Å |
| 417 | H | 98.2 | Very high | 97.7 | Very high | 5 Ų | 5 | 23.4 Ų | 23.4 | 2% | 0.023 | 12% | 0.122 | C | C | . | . | trans | -52.2 | 141.6 | 159.2 | -172.7 | -84.9 | 0 | 0 | 0 | 110.4 | A419 L420 S421 E439 R442 H455 P457 R579 | H417-A419 VanDerWaalsContact C-N 3.32Å; H417-A419 WeakPolarHBondContact ND1-CB 3.5Å; H417-A419 PolarHBondContact ND1-N 3.03Å; H417-A419 VanDerWaalsContact ND1-N 3.13Å; H417-A419 PolarHBondContact O-N 3.05Å; H417-L420 HydrophobicContact CB-CB 4.37Å; H417-L420 HydrophobicContact CB-CD1 3.8Å; H417-L420 HydrophobicContact CB-CG 3.92Å; H417-L420 WeakPolarHBondContact O-CB 3.49Å; H417-L420 PolarHBondContact O-N 3.43Å; H417-S421 PolarHBondContact O-N 3.35Å; H417-S421 VanDerWaalsContact O-N 3.12Å; H417-E439 WeakPolarHBondContact NE2-CA 3.5Å; H417-E439 WeakPolarHBondContact NE2-CB 2.96Å; H417-R442 HydrophobicContact CB-CB 3.79Å; H417-R442 PolarHBondContact CD2-O 2.81Å; H417-H455 PolarHBondContact CE1-O 2.66Å; H417-H455 VanDerWaalsContact CE1-O 3.3Å; H417-P457 HydrophobicContact CB-CG 4.19Å; H417-R579 PolarHBondContact N-O 3.33Å | ||
| 418 | P | 98.2 | Very high | 97.6 | Very high | 22 Ų | 22 | 22.9 Ų | 22.9 | 14% | 0.143 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -47.9 | -49 | 179.3 | -33 | 38.2 | 0 | 0 | 0 | 114.1 | L420 S421 A422 N435 E439 | P418-L420 VanDerWaalsContact C-N 3.31Å; P418-L420 PolarHBondContact O-N 2.9Å; P418-S421 PolarHBondContact O-N 2.78Å; P418-S421 VanDerWaalsContact O-N 3.08Å; P418-S421 PolarHBondContact O-OG 3.2Å; P418-A422 PolarHBondContact O-N 2.57Å; P418-N435 HydrophobicContact CG-CB 4.35Å; P418-E439 HydrophobicContact CB-CG 4.44Å; P418-E439 HydrophobicContact CG-CG 4.06Å |
| 419 | A | 97.9 | Very high | 97.5 | Very high | 17 Ų | 17 | 22.2 Ų | 22.2 | 14% | 0.14 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.7 | -37.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | H417 S421 M458 | H417-A419 VanDerWaalsContact C-N 3.32Å; H417-A419 WeakPolarHBondContact ND1-CB 3.5Å; H417-A419 PolarHBondContact ND1-N 3.03Å; H417-A419 VanDerWaalsContact ND1-N 3.13Å; H417-A419 PolarHBondContact O-N 3.05Å; A419-S421 VanDerWaalsContact C-N 3.34Å; A419-M458 HydrophobicContact CB-CE 4.37Å; A419-M458 VanDerWaalsContact O-CE 3.28Å; A419-M458 WeakPolarHBondContact O-CE 3.29Å |
| 420 | L | 98.3 | Very high | 97.3 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.026 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.7 | -34.9 | 177.2 | -64.8 | 174.7 | 0 | 0 | 0 | 111.9 | M416 H417 P418 P424 M458 A578 L582 | M416-L420 HydrophobicContact CB-CB 4.12Å; H417-L420 HydrophobicContact CB-CB 4.37Å; H417-L420 HydrophobicContact CB-CD1 3.8Å; H417-L420 HydrophobicContact CB-CG 3.92Å; H417-L420 WeakPolarHBondContact O-CB 3.49Å; H417-L420 PolarHBondContact O-N 3.43Å; P418-L420 VanDerWaalsContact C-N 3.31Å; P418-L420 PolarHBondContact O-N 2.9Å; L420-P424 WeakPolarHBondContact O-CD 3.42Å; L420-M458 HydrophobicContact CD2-CB 3.66Å; L420-M458 HydrophobicContact CD2-CG 4.15Å; L420-M458 HydrophobicContact CD2-SD 3.81Å; L420-A578 HydrophobicContact CD1-CB 4.08Å; L420-L582 HydrophobicContact CD2-CB 3.62Å |
| 421 | S | 97.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.014 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -79.1 | -19.6 | -177 | 72.3 | 0 | 0 | 0 | 0 | 114.2 | H417 P418 A419 P424 S425 N435 | H417-S421 PolarHBondContact O-N 3.35Å; H417-S421 VanDerWaalsContact O-N 3.12Å; P418-S421 PolarHBondContact O-N 2.78Å; P418-S421 VanDerWaalsContact O-N 3.08Å; P418-S421 PolarHBondContact O-OG 3.2Å; A419-S421 VanDerWaalsContact C-N 3.34Å; S421-P424 WeakPolarHBondContact O-CD 3.5Å; S421-S425 WeakPolarHBondContact O-CB 3.41Å; S421-S425 PolarHBondContact O-N 3.28Å; S421-N435 PolarHBondContact OG-ND2 3.35Å; S421-N435 PolarHBondContact OG-OD1 3.22Å |
| 422 | A | 97.7 | Very high | 96.8 | Very high | 34 Ų | 34 | 25.7 Ų | 25.7 | 28% | 0.281 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -56.9 | -58.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P418 S425 D426 F603 | P418-A422 PolarHBondContact O-N 2.57Å; A422-S425 WeakPolarHBondContact O-CB 3.49Å; A422-S425 PolarHBondContact O-N 3.2Å; A422-D426 PolarHBondContact O-N 3.11Å; A422-F603 HydrophobicContact CB-CZ 4.18Å |
| 423 | F | 98 | Very high | 96.7 | Very high | 11 Ų | 11 | 25.8 Ų | 25.8 | 5% | 0.048 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.6 | -48.1 | -179.3 | 179.1 | -85.1 | 0 | 0 | 0 | 112.9 | S425 D426 V427 F428 L575 L596 N599 L600 F603 | F423-S425 VanDerWaalsContact C-N 3.3Å; F423-S425 PolarHBondContact O-N 3.47Å; F423-D426 PolarHBondContact O-N 3.47Å; F423-V427 HydrophobicContact CD1-CG2 4.29Å; F423-V427 HydrophobicContact CD2-CG2 4.02Å; F423-V427 HydrophobicContact CE1-CB 4.22Å; F423-V427 HydrophobicContact CE1-CG1 4.46Å; F423-V427 HydrophobicContact CE1-CG2 3.94Å; F423-V427 HydrophobicContact CE2-CG2 3.65Å; F423-V427 HydrophobicContact CG-CG2 4.34Å; F423-V427 HydrophobicContact CZ-CB 4.31Å; F423-V427 HydrophobicContact CZ-CG1 4.44Å; F423-V427 HydrophobicContact CZ-CG2 3.63Å; F423-V427 WeakPolarHBondContact O-CB 3Å; F423-V427 WeakPolarHBondContact O-CG2 3.33Å; F423-V427 PolarHBondContact O-N 2.77Å; F423-F428 HydrophobicContact CE1-CE2 4.35Å; F423-L575 HydrophobicContact CD1-CD1 3.78Å; F423-L575 HydrophobicContact CE1-CD1 3.95Å; F423-L596 HydrophobicContact CZ-CD1 4.27Å; F423-N599 HydrophobicContact CE2-CB 4.23Å; F423-N599 HydrophobicContact CZ-CB 4.36Å; F423-L600 HydrophobicContact CD1-CD1 3.58Å; F423-L600 HydrophobicContact CD2-CD1 4.06Å; F423-L600 HydrophobicContact CE1-CB 4.13Å; F423-L600 HydrophobicContact CE1-CD1 3.61Å; F423-L600 HydrophobicContact CE1-CG 4.43Å; F423-L600 VanDerWaalsContact CE2-CA 3.42Å; F423-L600 HydrophobicContact CE2-CB 4.04Å; F423-L600 HydrophobicContact CE2-CD1 4.08Å; F423-L600 HydrophobicContact CG-CD1 3.8Å; F423-L600 HydrophobicContact CZ-CB 3.65Å; F423-L600 HydrophobicContact CZ-CD1 3.84Å; F423-L600 HydrophobicContact CZ-CG 4.36Å; F423-F603 HydrophobicContact CB-CD1 4.02Å; F423-F603 HydrophobicContact CB-CD2 4.4Å; F423-F603 HydrophobicContact CB-CE1 3.94Å; F423-F603 HydrophobicContact CB-CE2 4.33Å; F423-F603 HydrophobicContact CB-CG 4.26Å; F423-F603 HydrophobicContact CB-CZ 4.12Å; F423-F603 HydrophobicContact CD2-CB 3.76Å; F423-F603 HydrophobicContact CD2-CD1 4.12Å; F423-F603 HydrophobicContact CD2-CD2 4.17Å; F423-F603 AromaticContact CD2-CG 3.76Å; F423-F603 HydrophobicContact CD2-CG 3.76Å; F423-F603 HydrophobicContact CE2-CB 4.19Å; F423-F603 HydrophobicContact CG-CD1 4.42Å; F423-F603 HydrophobicContact CG-CG 4.44Å |
| 424 | P | 97.7 | Very high | 96.7 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.019 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.7 | -38.2 | 176.5 | -26.3 | 35.1 | 0 | 0 | 0 | 113.8 | L420 S421 F428 Y429 L575 T576 | L420-P424 WeakPolarHBondContact O-CD 3.42Å; S421-P424 WeakPolarHBondContact O-CD 3.5Å; P424-F428 HydrophobicContact CB-CD2 4.09Å; P424-F428 WeakPolarHBondContact O-CB 3.15Å; P424-F428 PolarHBondContact O-N 2.92Å; P424-Y429 VanDerWaalsContact O-CD2 3.24Å; P424-Y429 WeakPolarHBondContact O-CD2 3.31Å; P424-L575 HydrophobicContact CG-CB 4.02Å; P424-L575 HydrophobicContact CG-CD1 4.36Å; P424-T576 HydrophobicContact CB-CG2 3.84Å; P424-T576 HydrophobicContact CG-CG2 4Å |
| 425 | S | 97.5 | Very high | 96.7 | Very high | 5 Ų | 5 | 29.3 Ų | 29.3 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.3 | -54.3 | 176 | -174.2 | 0 | 0 | 0 | 0 | 110.8 | S421 A422 F423 V427 Y429 E430 G431 L433 | S421-S425 WeakPolarHBondContact O-CB 3.41Å; S421-S425 PolarHBondContact O-N 3.28Å; A422-S425 WeakPolarHBondContact O-CB 3.49Å; A422-S425 PolarHBondContact O-N 3.2Å; F423-S425 VanDerWaalsContact C-N 3.3Å; F423-S425 PolarHBondContact O-N 3.47Å; S425-V427 PolarHBondContact O-N 3.01Å; S425-Y429 CarbonylContact O-C 3.59Å; S425-Y429 VanDerWaalsContact O-CA 3.26Å; S425-Y429 WeakPolarHBondContact O-CA 3.21Å; S425-Y429 WeakPolarHBondContact O-CB 3.49Å; S425-Y429 PolarHBondContact O-N 2.84Å; S425-E430 PolarHBondContact O-N 3.06Å; S425-E430 VanDerWaalsContact O-N 3.14Å; S425-G431 PolarHBondContact O-N 3.17Å; S425-L433 VanDerWaalsContact OG-CB 3.31Å; S425-L433 WeakPolarHBondContact OG-CB 3.34Å; S425-L433 PolarHBondContact OG-N 2.65Å; S425-L433 VanDerWaalsContact OG-N 3.13Å; S425-L433 PolarHBondContact OG-O 3.01Å |
| 426 | D | 96.5 | Very high | 96.8 | Very high | 92 Ų | 92 | 29.6 Ų | 29.6 | 49% | 0.492 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.5 | -44.6 | -175.7 | -66.7 | -17.2 | 0 | 0 | 0 | 111.9 | A422 F423 G431 | A422-D426 PolarHBondContact O-N 3.11Å; F423-D426 PolarHBondContact O-N 3.47Å; D426-G431 WeakPolarHBondContact OD1-CA 3.49Å |
| 427 | V | 96.2 | Very high | 96.7 | Very high | 23 Ų | 23 | 30.3 Ų | 30.3 | 14% | 0.139 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -84.9 | -41.9 | -170.4 | 176.7 | 0 | 0 | 0 | 0 | 113.5 | F423 S425 L596 | F423-V427 HydrophobicContact CD1-CG2 4.29Å; F423-V427 HydrophobicContact CD2-CG2 4.02Å; F423-V427 HydrophobicContact CE1-CB 4.22Å; F423-V427 HydrophobicContact CE1-CG1 4.46Å; F423-V427 HydrophobicContact CE1-CG2 3.94Å; F423-V427 HydrophobicContact CE2-CG2 3.65Å; F423-V427 HydrophobicContact CG-CG2 4.34Å; F423-V427 HydrophobicContact CZ-CB 4.31Å; F423-V427 HydrophobicContact CZ-CG1 4.44Å; F423-V427 HydrophobicContact CZ-CG2 3.63Å; F423-V427 WeakPolarHBondContact O-CB 3Å; F423-V427 WeakPolarHBondContact O-CG2 3.33Å; F423-V427 PolarHBondContact O-N 2.77Å; S425-V427 PolarHBondContact O-N 3.01Å; V427-L596 HydrophobicContact CG1-CD1 3.58Å |
| 428 | F | 96 | Very high | 96.7 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -100.4 | -15.9 | -175.3 | -56.9 | -77 | 0 | 0 | 0 | 113.3 | C376 F423 P424 P568 L571 N572 L575 L596 L635 | C376-F428 HydrophobicContact CB-CB 4.33Å; C376-F428 PolarHBondContact SG-O 3.23Å; F423-F428 HydrophobicContact CE1-CE2 4.35Å; P424-F428 HydrophobicContact CB-CD2 4.09Å; P424-F428 WeakPolarHBondContact O-CB 3.15Å; P424-F428 PolarHBondContact O-N 2.92Å; F428-P568 HydrophobicContact CE1-CB 4.19Å; F428-P568 VanDerWaalsContact CE1-O 3.26Å; F428-P568 WeakPolarHBondContact CE1-O 3.3Å; F428-L571 HydrophobicContact CZ-CD2 4.46Å; F428-L571 HydrophobicContact CZ-CG 4.42Å; F428-N572 HydrophobicContact CD1-CB 3.79Å; F428-N572 HydrophobicContact CD2-CB 3.79Å; F428-N572 WeakPolarHBondContact CD2-OD1 3.38Å; F428-N572 HydrophobicContact CE1-CB 3.74Å; F428-N572 HydrophobicContact CE2-CB 3.74Å; F428-N572 HydrophobicContact CG-CB 3.86Å; F428-N572 HydrophobicContact CZ-CB 3.72Å; F428-L575 HydrophobicContact CE2-CD1 4.46Å; F428-L596 HydrophobicContact CE1-CD2 4.16Å; F428-L596 HydrophobicContact CZ-CD1 4.22Å; F428-L596 HydrophobicContact CZ-CD2 4.14Å; F428-L635 HydrophobicContact CB-CD1 4.27Å; F428-L635 HydrophobicContact CD1-CD1 3.76Å; F428-L635 HydrophobicContact CG-CD1 4.49Å |
| 429 | Y | 96.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -135.5 | 22.4 | -171.7 | -51.9 | -71.6 | 0 | 0 | 0 | 113.3 | P205 P206 D374 C376 P424 S425 G431 S432 L433 N572 | P205-Y429 HydrophobicContact CB-CD1 4.05Å; P205-Y429 HydrophobicContact CB-CE1 3.67Å; P205-Y429 HydrophobicContact CB-CE2 4.22Å; P205-Y429 HydrophobicContact CB-CG 4.47Å; P205-Y429 HydrophobicContact CG-CD1 3.72Å; P205-Y429 HydrophobicContact CG-CE1 3.64Å; P205-Y429 HydrophobicContact CG-CG 4.4Å; P206-Y429 WeakPolarHBondContact CD-OH 3.18Å; D374-Y429 PolarHBondContact OD2-OH 2.85Å; C376-Y429 HydrophobicContact CB-CE1 3.77Å; P424-Y429 VanDerWaalsContact O-CD2 3.24Å; P424-Y429 WeakPolarHBondContact O-CD2 3.31Å; S425-Y429 CarbonylContact O-C 3.59Å; S425-Y429 VanDerWaalsContact O-CA 3.26Å; S425-Y429 WeakPolarHBondContact O-CA 3.21Å; S425-Y429 WeakPolarHBondContact O-CB 3.49Å; S425-Y429 PolarHBondContact O-N 2.84Å; Y429-G431 PolarHBondContact O-N 3.05Å; Y429-G431 VanDerWaalsContact O-N 3.16Å; Y429-S432 WeakPolarHBondContact O-CB 3.34Å; Y429-S432 PolarHBondContact O-N 2.93Å; Y429-S432 PolarHBondContact O-OG 3.24Å; Y429-L433 HydrophobicContact CD2-CD1 3.38Å; Y429-L433 HydrophobicContact CD2-CG 3.97Å; Y429-L433 HydrophobicContact CE2-CD1 3.9Å; Y429-L433 HydrophobicContact CG-CD1 3.86Å; Y429-L433 HydrophobicContact CG-CD2 4.17Å; Y429-L433 HydrophobicContact CG-CG 3.98Å; Y429-N572 PolarHBondContact OH-ND2 3.25Å |
| 430 | E | 94.1 | Very high | 96.3 | Very high | 120 Ų | 120 | 39.5 Ų | 39.5 | 56% | 0.561 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 29.5 | 173.2 | -53.6 | 144.9 | -150.9 | 0 | 0 | 113.5 | R409 S425 S432 | R409-E430 IonicContact CZ-OE1 3.61Å; R409-E430 IonicContact CZ-OE2 3.63Å; R409-E430 IonicContact NH1-OE1 2.77Å; R409-E430 IonicContact NH1-OE2 2.66Å; R409-E430 PolarHBondContact NH1-OE2 2.85Å; R409-E430 IonicContact NH2-OE1 3.2Å; R409-E430 PolarHBondContact NH2-OE1 3.38Å; R409-E430 IonicContact NH2-OE2 2.78Å; S425-E430 PolarHBondContact O-N 3.06Å; S425-E430 VanDerWaalsContact O-N 3.14Å; E430-S432 PolarHBondContact O-N 3.11Å; E430-S432 VanDerWaalsContact O-N 3.15Å |
| 431 | G | 93.8 | Very high | 96.2 | Very high | 37 Ų | 37 | 44.6 Ų | 44.6 | 38% | 0.381 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 9.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | S425 D426 Y429 L433 | S425-G431 PolarHBondContact O-N 3.17Å; D426-G431 WeakPolarHBondContact OD1-CA 3.49Å; Y429-G431 PolarHBondContact O-N 3.05Å; Y429-G431 VanDerWaalsContact O-N 3.16Å; G431-L433 PolarHBondContact O-N 2.86Å |
| 432 | S | 92.6 | Very high | 96.1 | Very high | 32 Ų | 32 | 46 Ų | 46 | 22% | 0.224 | 27% | 0.268 | C | S | . | . | trans | -83.2 | -5.8 | -171.9 | 67 | 0 | 0 | 0 | 0 | 114.6 | R409 Y429 E430 | R409-S432 PolarHBondContact NH1-OG 2.93Å; Y429-S432 WeakPolarHBondContact O-CB 3.34Å; Y429-S432 PolarHBondContact O-N 2.93Å; Y429-S432 PolarHBondContact O-OG 3.24Å; E430-S432 PolarHBondContact O-N 3.11Å; E430-S432 VanDerWaalsContact O-N 3.15Å | ||
| 433 | L | 95.3 | Very high | 95.8 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 123.9 | 176.9 | -53.1 | -173.9 | 0 | 0 | 0 | 111.4 | P205 Q411 S425 Y429 G431 | P205-L433 HydrophobicContact CB-CD1 3.98Å; P205-L433 HydrophobicContact CB-CD2 3.74Å; P205-L433 HydrophobicContact CG-CD2 3.66Å; Q411-L433 CarbonylContact O-C 3.49Å; Q411-L433 WeakPolarHBondContact O-CA 3.14Å; S425-L433 VanDerWaalsContact OG-CB 3.31Å; S425-L433 WeakPolarHBondContact OG-CB 3.34Å; S425-L433 PolarHBondContact OG-N 2.65Å; S425-L433 VanDerWaalsContact OG-N 3.13Å; S425-L433 PolarHBondContact OG-O 3.01Å; Y429-L433 HydrophobicContact CD2-CD1 3.38Å; Y429-L433 HydrophobicContact CD2-CG 3.97Å; Y429-L433 HydrophobicContact CE2-CD1 3.9Å; Y429-L433 HydrophobicContact CG-CD1 3.86Å; Y429-L433 HydrophobicContact CG-CD2 4.17Å; Y429-L433 HydrophobicContact CG-CG 3.98Å; G431-L433 PolarHBondContact O-N 2.86Å |
| 434 | Q | 97.5 | Very high | 95.3 | Very high | 95 Ų | 95 | 50.3 Ų | 50.3 | 44% | 0.444 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 154.5 | 170.9 | -60.6 | 170.7 | 19.6 | 0 | 0 | 110.2 | Q411 V412 Q413 | Q411-Q434 PolarHBondContact O-N 3.06Å; V412-Q434 CarbonylContact C-O 3.59Å; V412-Q434 WeakPolarHBondContact CA-O 3.35Å; V412-Q434 HydrophobicContact CG2-CB 4.35Å; Q413-Q434 PolarHBondContact N-O 2.95Å |
| 435 | N | 97.9 | Very high | 94.8 | Very high | 67 Ų | 67 | 55.7 Ų | 55.7 | 36% | 0.358 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 118.8 | 177.2 | -65.3 | -45.7 | 0 | 0 | 0 | 110.4 | Q413 P418 S421 | Q413-N435 WeakPolarHBondContact CG-OD1 3.5Å; Q413-N435 PolarHBondContact NE2-OD1 2.75Å; P418-N435 HydrophobicContact CG-CB 4.35Å; S421-N435 PolarHBondContact OG-ND2 3.35Å; S421-N435 PolarHBondContact OG-OD1 3.22Å |
| 436 | G | 97.2 | Very high | 94.2 | Very high | 31 Ų | 31 | 59.3 Ų | 59.3 | 32% | 0.32 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -88.1 | 8.9 | 171 | 0 | 0 | 0 | 0 | 0 | 113.3 | V412 Q413 Y414 | V412-G436 VanDerWaalsContact CG1-CA 3.48Å; Q413-G436 PolarHBondContact O-N 2.79Å; Y414-G436 WeakPolarHBondContact CD1-O 3.42Å |
| 437 | V | 96.8 | Very high | 93.9 | Very high | 15 Ų | 15 | 56 Ų | 56 | 9% | 0.091 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -136.3 | 146.8 | 179.2 | -65.8 | 0 | 0 | 0 | 0 | 109.6 | Y414 M416 E441 R442 | Y414-V437 HydrophobicContact CD1-CG1 4.36Å; M416-V437 WeakPolarHBondContact O-CG2 3.44Å; V437-E441 VanDerWaalsContact CA-OE2 3.31Å; V437-E441 WeakPolarHBondContact CA-OE2 3.34Å; V437-R442 HydrophobicContact CB-CG 4.14Å; V437-R442 HydrophobicContact CG2-CG 3.77Å |
| 438 | T | 96.8 | Very high | 93.5 | Very high | 75 Ų | 75 | 61.2 Ų | 61.2 | 46% | 0.46 | 37% | 0.374 | S | S | . | . | trans | -88.2 | 166.1 | 176.8 | 62.4 | 0 | 0 | 0 | 0 | 111.6 | A440 E441 R442 | T438-A440 VanDerWaalsContact C-N 3.31Å; T438-A440 PolarHBondContact O-N 2.96Å; T438-E441 PolarHBondContact N-OE2 3.16Å; T438-E441 PolarHBondContact O-N 3.49Å; T438-E441 VanDerWaalsContact OG1-CG 3.3Å; T438-E441 WeakPolarHBondContact OG1-CG 3.42Å; T438-E441 PolarHBondContact OG1-N 2.82Å; T438-E441 PolarHBondContact OG1-OE2 2.89Å; T438-R442 PolarHBondContact O-N 2.89Å | ||
| 439 | E | 95.1 | Very high | 93.4 | Very high | 85 Ų | 85 | 61.6 Ų | 61.6 | 40% | 0.397 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -47.4 | 171.8 | -63.2 | -175.1 | -175.4 | 0 | 0 | 110.9 | H417 P418 E441 R442 T443 H455 | H417-E439 WeakPolarHBondContact NE2-CA 3.5Å; H417-E439 WeakPolarHBondContact NE2-CB 2.96Å; P418-E439 HydrophobicContact CB-CG 4.44Å; P418-E439 HydrophobicContact CG-CG 4.06Å; E439-E441 PolarHBondContact O-N 2.84Å; E439-R442 CarbonylContact O-C 3.52Å; E439-R442 WeakPolarHBondContact O-CA 3.49Å; E439-R442 PolarHBondContact O-N 2.79Å; E439-T443 PolarHBondContact O-N 2.87Å; E439-T443 PolarHBondContact O-OG1 3.17Å; E439-H455 IonicContact OE2-ND1 3.5Å; E439-H455 PolarHBondContact OE2-ND1 3.27Å |
| 440 | A | 94.2 | Very high | 93.2 | Very high | 78 Ų | 78 | 67.3 Ų | 67.3 | 65% | 0.645 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -60 | -39.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | T438 R442 T443 | T438-A440 VanDerWaalsContact C-N 3.31Å; T438-A440 PolarHBondContact O-N 2.96Å; A440-R442 PolarHBondContact O-N 2.84Å; A440-T443 PolarHBondContact O-N 3.04Å |
| 441 | E | 95.8 | Very high | 93.3 | Very high | 111 Ų | 111 | 63.3 Ų | 63.3 | 52% | 0.519 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -69.7 | -13.1 | 174.7 | -70.5 | 169.3 | 141.7 | 0 | 0 | 113.3 | V437 T438 E439 | V437-E441 VanDerWaalsContact CA-OE2 3.31Å; V437-E441 WeakPolarHBondContact CA-OE2 3.34Å; T438-E441 PolarHBondContact N-OE2 3.16Å; T438-E441 PolarHBondContact O-N 3.49Å; T438-E441 VanDerWaalsContact OG1-CG 3.3Å; T438-E441 WeakPolarHBondContact OG1-CG 3.42Å; T438-E441 PolarHBondContact OG1-N 2.82Å; T438-E441 PolarHBondContact OG1-OE2 2.89Å; E439-E441 PolarHBondContact O-N 2.84Å |
| 442 | R | 95 | Very high | 93.4 | Very high | 33 Ų | 33 | 63.7 Ų | 63.7 | 13% | 0.125 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -118.6 | 21.6 | 178.2 | -67.1 | -68.5 | 175.1 | -84.5 | 3.9 | 112.3 | Y414 R415 H417 V437 T438 E439 A440 F580 | Y414-R442 PolarHBondContact O-NH2 2.79Å; R415-R442 WeakPolarHBondContact O-CD 3.48Å; R415-R442 PolarHBondContact O-NE 3.07Å; H417-R442 HydrophobicContact CB-CB 3.79Å; H417-R442 PolarHBondContact CD2-O 2.81Å; V437-R442 HydrophobicContact CB-CG 4.14Å; V437-R442 HydrophobicContact CG2-CG 3.77Å; T438-R442 PolarHBondContact O-N 2.89Å; E439-R442 CarbonylContact O-C 3.52Å; E439-R442 WeakPolarHBondContact O-CA 3.49Å; E439-R442 PolarHBondContact O-N 2.79Å; A440-R442 PolarHBondContact O-N 2.84Å; R442-F580 WeakPolarHBondContact O-CD1 3.49Å |
| 443 | T | 91.9 | Very high | 93.5 | Very high | 93 Ų | 93 | 65.8 Ų | 65.8 | 57% | 0.571 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -107.8 | 125.1 | 164.4 | -51.6 | 0 | 0 | 0 | 0 | 108.6 | E439 A440 S445 | E439-T443 PolarHBondContact O-N 2.87Å; E439-T443 PolarHBondContact O-OG1 3.17Å; A440-T443 PolarHBondContact O-N 3.04Å; T443-S445 PolarHBondContact O-N 3.33Å |
| 444 | L | 88.3 | Confident | 93.2 | Very high | 42 Ų | 42 | 69.1 Ų | 69.1 | 22% | 0.22 | 42% | 0.422 | C | S | . | . | trans | -81.2 | 115.4 | -176.9 | -172.8 | 67.2 | 0 | 0 | 0 | 110.5 | G446 F447 F548 F580 | L444-G446 PolarHBondContact O-N 2.87Å; L444-F447 HydrophobicContact CB-CB 4.06Å; L444-F447 HydrophobicContact CD2-CB 3.86Å; L444-F447 HydrophobicContact CD2-CG 4.26Å; L444-F447 HydrophobicContact CG-CB 4.06Å; L444-F447 PolarHBondContact O-N 3.02Å; L444-F548 HydrophobicContact CB-CZ 4.35Å; L444-F548 HydrophobicContact CD2-CE2 3.72Å; L444-F548 HydrophobicContact CD2-CZ 3.78Å; L444-F580 HydrophobicContact CB-CD1 3.97Å; L444-F580 HydrophobicContact CB-CE1 4.34Å; L444-F580 HydrophobicContact CB-CG 4.44Å; L444-F580 HydrophobicContact CD1-CE1 4.45Å | ||
| 445 | S | 85.2 | Confident | 92.9 | Very high | 115 Ų | 115 | 70.9 Ų | 70.9 | 80% | 0.804 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 131.9 | 178.2 | 58.7 | 0 | 0 | 0 | 0 | 111.9 | T443 F447 | T443-S445 PolarHBondContact O-N 3.33Å; S445-F447 VanDerWaalsContact C-N 3.28Å; S445-F447 PolarHBondContact O-N 2.96Å |
| 446 | G | 85 | Confident | 92.8 | Very high | 81 Ų | 81 | 68.7 Ų | 68.7 | 84% | 0.835 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | -1.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L444 | L444-G446 PolarHBondContact O-N 2.87Š|
| 447 | F | 91.1 | Very high | 92.8 | Very high | 23 Ų | 23 | 67.8 Ų | 67.8 | 10% | 0.101 | 41% | 0.409 | C | S | . | . | trans | -101 | 88.4 | 173.8 | -177.1 | -101 | 0 | 0 | 0 | 110.2 | L444 S445 F449 W451 F492 L495 A497 F548 | L444-F447 HydrophobicContact CB-CB 4.06Å; L444-F447 HydrophobicContact CD2-CB 3.86Å; L444-F447 HydrophobicContact CD2-CG 4.26Å; L444-F447 HydrophobicContact CG-CB 4.06Å; L444-F447 PolarHBondContact O-N 3.02Å; S445-F447 VanDerWaalsContact C-N 3.28Å; S445-F447 PolarHBondContact O-N 2.96Å; F447-F449 HydrophobicContact CD1-CB 3.96Å; F447-F449 HydrophobicContact CE1-CB 3.35Å; F447-F449 HydrophobicContact CE1-CG 4.19Å; F447-F449 HydrophobicContact CZ-CB 3.78Å; F447-F449 HydrophobicContact CZ-CG 4.37Å; F447-F449 PolarHBondContact O-N 2.92Å; F447-W451 HydrophobicContact CE1-CZ2 4.48Å; F447-F492 HydrophobicContact CE2-CB 4.23Å; F447-F492 HydrophobicContact CE2-CD1 4.32Å; F447-F492 HydrophobicContact CE2-CG 4.3Å; F447-F492 HydrophobicContact CZ-CB 4.31Å; F447-F492 AromaticContact CZ-CD1 3.64Å; F447-F492 HydrophobicContact CZ-CD1 3.64Å; F447-F492 HydrophobicContact CZ-CD2 4.4Å; F447-F492 AromaticContact CZ-CE1 3.93Å; F447-F492 HydrophobicContact CZ-CE1 3.93Å; F447-F492 AromaticContact CZ-CG 3.87Å; F447-F492 HydrophobicContact CZ-CG 3.87Å; F447-F492 HydrophobicContact CZ-CZ 4.42Å; F447-L495 HydrophobicContact CD2-CB 3.91Å; F447-L495 HydrophobicContact CE2-CB 3.8Å; F447-L495 HydrophobicContact CE2-CD1 4.37Å; F447-A497 HydrophobicContact CD2-CB 4.13Å; F447-A497 HydrophobicContact CE2-CB 3.8Å; F447-F548 AromaticContact CD1-CE1 3.95Å; F447-F548 HydrophobicContact CD1-CE1 3.95Å; F447-F548 HydrophobicContact CD1-CE2 4.3Å; F447-F548 AromaticContact CD1-CZ 3.44Å; F447-F548 HydrophobicContact CD1-CZ 3.44Å; F447-F548 VanDerWaalsContact CD1-CZ 3.44Å; F447-F548 HydrophobicContact CD2-CE2 4.39Å; F447-F548 HydrophobicContact CD2-CZ 4.3Å; F447-F548 HydrophobicContact CE1-CD1 4.4Å; F447-F548 AromaticContact CE1-CE1 3.54Å; F447-F548 HydrophobicContact CE1-CE1 3.54Å; F447-F548 HydrophobicContact CE1-CE2 4.12Å; F447-F548 AromaticContact CE1-CZ 3.37Å; F447-F548 HydrophobicContact CE1-CZ 3.37Å; F447-F548 HydrophobicContact CE2-CE2 4.23Å; F447-F548 HydrophobicContact CE2-CZ 4.25Å; F447-F548 HydrophobicContact CG-CE2 4.41Å; F447-F548 AromaticContact CG-CZ 3.91Å; F447-F548 HydrophobicContact CG-CZ 3.91Å; F447-F548 HydrophobicContact CZ-CE1 4.11Å; F447-F548 HydrophobicContact CZ-CE2 4.08Å; F447-F548 AromaticContact CZ-CZ 3.79Å; F447-F548 HydrophobicContact CZ-CZ 3.79Å | ||
| 448 | D | 88.8 | Confident | 92.8 | Very high | 133 Ų | 133 | 67.3 Ų | 67.3 | 71% | 0.711 | 41% | 0.405 | S | S | * | . | trans | -89.3 | 75.1 | -178.4 | -171 | 20.9 | 0 | 0 | 0 | 111.3 | L495 | D448-L495 WeakPolarHBondContact O-CD1 3.34Š| ||
| 449 | F | 93.8 | Very high | 92.9 | Very high | 14 Ų | 14 | 63.7 Ų | 63.7 | 6% | 0.061 | 38% | 0.383 | C | S | . | . | trans | -95 | 126.8 | 171.9 | -177.2 | -89.5 | 0 | 0 | 0 | 110.2 | F447 W451 F459 K491 F492 L495 I583 L615 | F447-F449 HydrophobicContact CD1-CB 3.96Å; F447-F449 HydrophobicContact CE1-CB 3.35Å; F447-F449 HydrophobicContact CE1-CG 4.19Å; F447-F449 HydrophobicContact CZ-CB 3.78Å; F447-F449 HydrophobicContact CZ-CG 4.37Å; F447-F449 PolarHBondContact O-N 2.92Å; F449-W451 AromaticContact CD1-CD2 3.54Å; F449-W451 HydrophobicContact CD1-CD2 3.54Å; F449-W451 AromaticContact CD1-CE2 3.54Å; F449-W451 AromaticContact CD1-CE3 3.92Å; F449-W451 HydrophobicContact CD1-CE3 3.92Å; F449-W451 AromaticContact CD1-CG 3.95Å; F449-W451 HydrophobicContact CD1-CG 3.95Å; F449-W451 HydrophobicContact CD1-CH2 4.25Å; F449-W451 AromaticContact CD1-CZ2 3.91Å; F449-W451 HydrophobicContact CD1-CZ2 3.91Å; F449-W451 HydrophobicContact CD1-CZ3 4.26Å; F449-W451 AromaticContact CD1-NE1 3.89Å; F449-W451 AromaticContact CE1-CD2 3.9Å; F449-W451 HydrophobicContact CE1-CD2 3.9Å; F449-W451 AromaticContact CE1-CE3 3.8Å; F449-W451 HydrophobicContact CE1-CE3 3.8Å; F449-W451 HydrophobicContact CE1-CG 4.45Å; F449-W451 HydrophobicContact CE1-CH2 4.4Å; F449-W451 HydrophobicContact CE1-CZ3 4.06Å; F449-W451 PolarHBondContact O-N 3Å; F449-F459 AromaticContact CE1-CE1 3.84Å; F449-F459 HydrophobicContact CE1-CE1 3.84Å; F449-F459 HydrophobicContact CZ-CE1 4Å; F449-F459 HydrophobicContact CZ-CZ 4.3Å; F449-K491 HydrophobicContact CD2-CG 4.27Å; F449-K491 HydrophobicContact CE2-CG 4.08Å; F449-F492 HydrophobicContact CD1-CE1 4.44Å; F449-F492 AromaticContact CD2-CD1 3.86Å; F449-F492 HydrophobicContact CD2-CD1 3.86Å; F449-F492 AromaticContact CD2-CE1 3.51Å; F449-F492 HydrophobicContact CD2-CE1 3.51Å; F449-F492 HydrophobicContact CE1-CE1 4.42Å; F449-F492 HydrophobicContact CE2-CD1 4.02Å; F449-F492 AromaticContact CE2-CE1 3.5Å; F449-F492 HydrophobicContact CE2-CE1 3.5Å; F449-F492 VanDerWaalsContact CE2-CE1 3.5Å; F449-F492 HydrophobicContact CG-CE1 4Å; F449-F492 AromaticContact CZ-CE1 3.97Å; F449-F492 HydrophobicContact CZ-CE1 3.97Å; F449-L495 HydrophobicContact CB-CD1 3.81Å; F449-L495 HydrophobicContact CD2-CD1 3.73Å; F449-L495 HydrophobicContact CG-CD1 4.26Å; F449-I583 HydrophobicContact CE1-CD1 4.5Å; F449-I583 HydrophobicContact CZ-CD1 4.23Å; F449-L615 HydrophobicContact CZ-CD1 4.35Å | ||
| 450 | T | 91.7 | Very high | 93.1 | Very high | 120 Ų | 120 | 59.7 Ų | 59.7 | 74% | 0.736 | 37% | 0.365 | S | S | * | . | trans | -74.2 | 92 | 177.3 | -43.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 451 | W | 95.3 | Very high | 93.3 | Very high | 36 Ų | 36 | 56.3 Ų | 56.3 | 14% | 0.136 | 34% | 0.335 | C | S | . | . | trans | -70 | 145.7 | 170.5 | -60.7 | 100.6 | 0 | 0 | 0 | 110.5 | F447 F449 E453 P457 F459 F492 F548 I583 | F447-W451 HydrophobicContact CE1-CZ2 4.48Å; F449-W451 AromaticContact CD1-CD2 3.54Å; F449-W451 HydrophobicContact CD1-CD2 3.54Å; F449-W451 AromaticContact CD1-CE2 3.54Å; F449-W451 AromaticContact CD1-CE3 3.92Å; F449-W451 HydrophobicContact CD1-CE3 3.92Å; F449-W451 AromaticContact CD1-CG 3.95Å; F449-W451 HydrophobicContact CD1-CG 3.95Å; F449-W451 HydrophobicContact CD1-CH2 4.25Å; F449-W451 AromaticContact CD1-CZ2 3.91Å; F449-W451 HydrophobicContact CD1-CZ2 3.91Å; F449-W451 HydrophobicContact CD1-CZ3 4.26Å; F449-W451 AromaticContact CD1-NE1 3.89Å; F449-W451 AromaticContact CE1-CD2 3.9Å; F449-W451 HydrophobicContact CE1-CD2 3.9Å; F449-W451 AromaticContact CE1-CE3 3.8Å; F449-W451 HydrophobicContact CE1-CE3 3.8Å; F449-W451 HydrophobicContact CE1-CG 4.45Å; F449-W451 HydrophobicContact CE1-CH2 4.4Å; F449-W451 HydrophobicContact CE1-CZ3 4.06Å; F449-W451 PolarHBondContact O-N 3Å; W451-E453 WeakPolarHBondContact CB-O 3.14Å; W451-E453 PolarHBondContact O-N 3.01Å; W451-P457 VanDerWaalsContact CD2-CA 3.45Å; W451-P457 HydrophobicContact CD2-CB 3.95Å; W451-P457 HydrophobicContact CE3-CB 4.4Å; W451-P457 HydrophobicContact CG-CB 4.41Å; W451-P457 HydrophobicContact CH2-CB 4.31Å; W451-P457 WeakPolarHBondContact CH2-O 3.32Å; W451-P457 HydrophobicContact CZ2-CB 3.83Å; W451-P457 VanDerWaalsContact CZ3-O 3.32Å; W451-P457 WeakPolarHBondContact CZ3-O 3.4Å; W451-F459 AromaticContact CE3-CD1 3.88Å; W451-F459 HydrophobicContact CE3-CD1 3.88Å; W451-F459 HydrophobicContact CE3-CE1 4.08Å; W451-F459 AromaticContact CZ3-CD1 3.98Å; W451-F459 HydrophobicContact CZ3-CD1 3.98Å; W451-F459 HydrophobicContact CZ3-CE1 4.02Å; W451-F492 HydrophobicContact CH2-CZ 4.28Å; W451-F548 HydrophobicContact CZ2-CE1 4.34Å; W451-I583 HydrophobicContact CH2-CD1 4.38Å; W451-I583 HydrophobicContact CH2-CG1 4.3Å; W451-I583 HydrophobicContact CZ3-CD1 4.1Å; W451-I583 HydrophobicContact CZ3-CG1 3.85Å | ||
| 452 | P | 95.6 | Very high | 93.4 | Very high | 46 Ų | 46 | 52.2 Ų | 52.2 | 30% | 0.299 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -54.5 | -40 | 174.2 | -27.7 | 36.8 | 0 | 0 | 0 | 112.4 | F459 V611 | P452-F459 HydrophobicContact CG-CB 3.9Å; P452-F459 HydrophobicContact CG-CD1 3.97Å; P452-F459 HydrophobicContact CG-CG 3.95Å; P452-V611 HydrophobicContact CB-CG1 4.02Å; P452-V611 HydrophobicContact CG-CG1 3.89Å |
| 453 | E | 94.4 | Very high | 93.4 | Very high | 76 Ų | 76 | 50.8 Ų | 50.8 | 36% | 0.355 | 31% | 0.312 | S | S | . | . | B | Isolated β-bridge | trans | -121.3 | 123.5 | 172 | -72.9 | -60.7 | 152.4 | 0 | 0 | 110.1 | W451 H455 S456 H607 H608 L609 | W451-E453 WeakPolarHBondContact CB-O 3.14Å; W451-E453 PolarHBondContact O-N 3.01Å; E453-H455 VanDerWaalsContact C-N 3.28Å; E453-H455 PolarHBondContact O-N 3.2Å; E453-S456 CarbonylContact O-C 3.54Å; E453-S456 PolarHBondContact O-N 2.99Å; E453-S456 VanDerWaalsContact O-N 3.08Å; E453-H607 WeakPolarHBondContact CG-O 3.43Å; E453-H608 HydrophobicContact CG-CB 4.15Å; E453-H608 WeakPolarHBondContact OE1-CB 3.48Å; E453-L609 HydrophobicContact CB-CD2 3.72Å; E453-L609 HydrophobicContact CG-CD2 3.81Å |
| 454 | A | 89.1 | Confident | 93.5 | Very high | 82 Ų | 82 | 50.7 Ų | 50.7 | 68% | 0.678 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -33.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 455 | H | 91.3 | Very high | 93.8 | Very high | 132 Ų | 132 | 49 Ų | 49 | 61% | 0.611 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -1.9 | -178.4 | -63.1 | -77.1 | 0 | 0 | 0 | 113.7 | H417 E439 E453 | H417-H455 PolarHBondContact CE1-O 2.66Å; H417-H455 VanDerWaalsContact CE1-O 3.3Å; E439-H455 IonicContact OE2-ND1 3.5Å; E439-H455 PolarHBondContact OE2-ND1 3.27Å; E453-H455 VanDerWaalsContact C-N 3.28Å; E453-H455 PolarHBondContact O-N 3.2Å |
| 456 | S | 95.9 | Very high | 94.2 | Very high | 21 Ų | 21 | 49.8 Ų | 49.8 | 15% | 0.147 | 29% | 0.29 | C | S | . | . | B | Isolated β-bridge | trans | -125 | 90.6 | -177.8 | -71.3 | 0 | 0 | 0 | 0 | 109.1 | E453 M458 | E453-S456 CarbonylContact O-C 3.54Å; E453-S456 PolarHBondContact O-N 2.99Å; E453-S456 VanDerWaalsContact O-N 3.08Å; S456-M458 PolarHBondContact O-N 3.37Å |
| 457 | P | 96.9 | Very high | 94.7 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 8% | 0.078 | 26% | 0.255 | C | S | . | . | trans | -76.7 | 53 | -176.5 | 33.7 | -37.5 | 0 | 0 | 0 | 112 | H417 W451 F580 G581 L582 | H417-P457 HydrophobicContact CB-CG 4.19Å; W451-P457 VanDerWaalsContact CD2-CA 3.45Å; W451-P457 HydrophobicContact CD2-CB 3.95Å; W451-P457 HydrophobicContact CE3-CB 4.4Å; W451-P457 HydrophobicContact CG-CB 4.41Å; W451-P457 HydrophobicContact CH2-CB 4.31Å; W451-P457 WeakPolarHBondContact CH2-O 3.32Å; W451-P457 HydrophobicContact CZ2-CB 3.83Å; W451-P457 VanDerWaalsContact CZ3-O 3.32Å; W451-P457 WeakPolarHBondContact CZ3-O 3.4Å; P457-F580 WeakPolarHBondContact CB-O 3.48Å; P457-F580 WeakPolarHBondContact CG-O 3.3Å; P457-G581 CarbonylContact O-C 3.56Å; P457-G581 WeakPolarHBondContact O-CA 3.45Å; P457-L582 PolarHBondContact O-N 3.1Å | ||
| 458 | M | 98 | Very high | 94.8 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 153.4 | 176.4 | 64.8 | -173.4 | 172.6 | 0 | 0 | 111.5 | A419 L420 S456 L582 F603 Y604 L609 | A419-M458 HydrophobicContact CB-CE 4.37Å; A419-M458 VanDerWaalsContact O-CE 3.28Å; A419-M458 WeakPolarHBondContact O-CE 3.29Å; L420-M458 HydrophobicContact CD2-CB 3.66Å; L420-M458 HydrophobicContact CD2-CG 4.15Å; L420-M458 HydrophobicContact CD2-SD 3.81Å; S456-M458 PolarHBondContact O-N 3.37Å; M458-L582 WeakPolarHBondContact CA-O 3.44Å; M458-L582 HydrophobicContact CB-CB 4.19Å; M458-L582 WeakPolarHBondContact CB-O 3.49Å; M458-F603 HydrophobicContact CE-CE1 3.62Å; M458-F603 HydrophobicContact CE-CZ 4.16Å; M458-Y604 HydrophobicContact CB-CE1 4.41Å; M458-Y604 HydrophobicContact CG-CE1 4.19Å; M458-Y604 HydrophobicContact SD-CE2 4.38Å; M458-L609 HydrophobicContact CE-CD1 3.58Å; M458-L609 HydrophobicContact CG-CD1 3.84Å; M458-L609 WeakPolarHBondContact O-CD2 3.3Å |
| 459 | F | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 160.1 | 167.3 | 62.2 | -88.7 | 0 | 0 | 0 | 111.8 | F449 W451 P452 W461 L488 L582 I583 I584 Y604 L609 V611 L618 | F449-F459 AromaticContact CE1-CE1 3.84Å; F449-F459 HydrophobicContact CE1-CE1 3.84Å; F449-F459 HydrophobicContact CZ-CE1 4Å; F449-F459 HydrophobicContact CZ-CZ 4.3Å; W451-F459 AromaticContact CE3-CD1 3.88Å; W451-F459 HydrophobicContact CE3-CD1 3.88Å; W451-F459 HydrophobicContact CE3-CE1 4.08Å; W451-F459 AromaticContact CZ3-CD1 3.98Å; W451-F459 HydrophobicContact CZ3-CD1 3.98Å; W451-F459 HydrophobicContact CZ3-CE1 4.02Å; P452-F459 HydrophobicContact CG-CB 3.9Å; P452-F459 HydrophobicContact CG-CD1 3.97Å; P452-F459 HydrophobicContact CG-CG 3.95Å; F459-W461 HydrophobicContact CD2-CB 4.11Å; F459-W461 HydrophobicContact CE2-CB 3.86Å; F459-W461 HydrophobicContact CE2-CG 4.26Å; F459-L488 HydrophobicContact CZ-CD2 4.32Å; F459-L582 PolarHBondContact N-O 3.34Å; F459-I583 HydrophobicContact CD1-CD1 4.26Å; F459-I583 HydrophobicContact CD1-CG1 3.93Å; F459-I583 HydrophobicContact CD2-CG2 3.98Å; F459-I583 HydrophobicContact CE1-CB 4.42Å; F459-I583 HydrophobicContact CE1-CD1 3.33Å; F459-I583 HydrophobicContact CE1-CG1 3.48Å; F459-I583 VanDerWaalsContact CE1-CG1 3.48Å; F459-I583 HydrophobicContact CE1-CG2 4.12Å; F459-I583 HydrophobicContact CE2-CD1 4.48Å; F459-I583 HydrophobicContact CE2-CG1 4.49Å; F459-I583 HydrophobicContact CE2-CG2 3.56Å; F459-I583 HydrophobicContact CG-CG2 4.46Å; F459-I583 HydrophobicContact CZ-CB 4.38Å; F459-I583 HydrophobicContact CZ-CD1 3.48Å; F459-I583 VanDerWaalsContact CZ-CD1 3.48Å; F459-I583 HydrophobicContact CZ-CG1 3.83Å; F459-I583 HydrophobicContact CZ-CG2 3.64Å; F459-I583 WeakPolarHBondContact O-CA 3.33Å; F459-I584 PolarHBondContact O-N 2.99Å; F459-Y604 VanDerWaalsContact C-CE1 3.4Å; F459-L609 CarbonylContact C-O 3.53Å; F459-L609 WeakPolarHBondContact CA-O 3.48Å; F459-L609 HydrophobicContact CB-CB 4.48Å; F459-L609 VanDerWaalsContact CB-O 3.28Å; F459-L609 WeakPolarHBondContact CB-O 3.38Å; F459-V611 HydrophobicContact CB-CG2 4.22Å; F459-V611 HydrophobicContact CD2-CG2 3.34Å; F459-V611 HydrophobicContact CE2-CG2 3.94Å; F459-V611 HydrophobicContact CG-CG2 4.07Å; F459-L618 HydrophobicContact CE2-CD1 3.87Å; F459-L618 HydrophobicContact CZ-CD1 3.86Å |
| 460 | F | 98.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 114.9 | 171.5 | -172.7 | -73.3 | 0 | 0 | 0 | 107.8 | I584 G586 P588 L591 W597 L601 Y604 L609 L610 V611 | F460-I584 CarbonylContact C-O 3.59Å; F460-I584 WeakPolarHBondContact CA-O 3.47Å; F460-I584 HydrophobicContact CD2-CB 3.75Å; F460-I584 HydrophobicContact CD2-CG2 3.57Å; F460-I584 HydrophobicContact CE2-CB 4.22Å; F460-I584 HydrophobicContact CE2-CG2 3.52Å; F460-I584 HydrophobicContact CG-CB 4.46Å; F460-G586 VanDerWaalsContact CE1-O 3.28Å; F460-G586 WeakPolarHBondContact CE1-O 3.15Å; F460-P588 HydrophobicContact CE1-CB 4.06Å; F460-P588 HydrophobicContact CE1-CG 4.3Å; F460-P588 HydrophobicContact CZ-CB 4.45Å; F460-L591 HydrophobicContact CE2-CD1 3.78Å; F460-L591 HydrophobicContact CZ-CD1 3.63Å; F460-W597 HydrophobicContact CE2-CZ3 4.45Å; F460-L601 HydrophobicContact CD1-CD2 3.99Å; F460-L601 HydrophobicContact CD2-CD2 3.67Å; F460-L601 HydrophobicContact CE1-CD2 4.04Å; F460-L601 HydrophobicContact CE2-CD2 3.73Å; F460-L601 HydrophobicContact CG-CD2 3.82Å; F460-L601 HydrophobicContact CZ-CD2 3.93Å; F460-Y604 HydrophobicContact CB-CD1 3.6Å; F460-Y604 HydrophobicContact CB-CE1 4.13Å; F460-Y604 HydrophobicContact CB-CG 4.2Å; F460-Y604 VanDerWaalsContact N-CD1 3.29Å; F460-L609 PolarHBondContact N-O 3.28Å; F460-L610 HydrophobicContact CB-CD1 3.92Å; F460-L610 HydrophobicContact CD1-CD1 3.36Å; F460-L610 HydrophobicContact CE1-CD1 4.2Å; F460-L610 HydrophobicContact CG-CD1 3.9Å; F460-V611 WeakPolarHBondContact O-CG2 3.16Å; F460-V611 PolarHBondContact O-N 2.85Å |
| 461 | W | 98.5 | Very high | 93.6 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 3% | 0.027 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 109.5 | 176.3 | -163.2 | 4.3 | 0 | 0 | 0 | 110.7 | F459 S463 N484 L488 I584 V585 G586 G613 L615 L618 | F459-W461 HydrophobicContact CD2-CB 4.11Å; F459-W461 HydrophobicContact CE2-CB 3.86Å; F459-W461 HydrophobicContact CE2-CG 4.26Å; W461-S463 PolarHBondContact O-N 3.49Å; W461-N484 HydrophobicContact CE3-CB 4.05Å; W461-N484 HydrophobicContact CH2-CB 3.97Å; W461-N484 HydrophobicContact CZ3-CB 3.61Å; W461-L488 HydrophobicContact CE3-CD1 3.88Å; W461-L488 HydrophobicContact CE3-CD2 4.34Å; W461-L488 HydrophobicContact CE3-CG 4.15Å; W461-L488 HydrophobicContact CZ3-CD1 4.02Å; W461-L488 HydrophobicContact CZ3-CD2 4.13Å; W461-L488 HydrophobicContact CZ3-CG 3.82Å; W461-I584 PolarHBondContact N-O 2.86Å; W461-V585 HydrophobicContact CB-CG2 4.32Å; W461-V585 HydrophobicContact CE3-CG2 4.32Å; W461-V585 WeakPolarHBondContact O-CA 3.35Å; W461-G586 PolarHBondContact O-N 3.42Å; W461-G613 WeakPolarHBondContact CZ2-O 3.02Å; W461-G613 PolarHBondContact NE1-O 3.23Å; W461-L615 HydrophobicContact CH2-CB 3.78Å; W461-L615 HydrophobicContact CH2-CD1 4.48Å; W461-L615 HydrophobicContact CZ2-CB 4.24Å; W461-L615 HydrophobicContact CZ3-CB 4.43Å; W461-L615 HydrophobicContact CZ3-CD1 4.37Å; W461-L618 HydrophobicContact CD2-CD2 4.46Å; W461-L618 HydrophobicContact CG-CD2 4.47Å; W461-L618 HydrophobicContact CZ2-CD2 4.49Å |
| 462 | L | 98.2 | Very high | 92.4 | Very high | 25 Ų | 25 | 47.8 Ų | 47.8 | 13% | 0.131 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 122 | 175.4 | -175.8 | 158.8 | 0 | 0 | 0 | 110.7 | M464 P588 V611 E612 S621 V623 | L462-M464 HydrophobicContact CD2-CG 3.62Å; L462-M464 HydrophobicContact CD2-SD 4.11Å; L462-P588 HydrophobicContact CB-CG 4.34Å; L462-P588 HydrophobicContact CD1-CG 3.63Å; L462-P588 HydrophobicContact CG-CG 3.73Å; L462-V611 WeakPolarHBondContact CB-O 3.13Å; L462-V611 PolarHBondContact N-O 2.82Å; L462-E612 HydrophobicContact CB-CB 4.08Å; L462-E612 HydrophobicContact CD2-CB 4.5Å; L462-S621 WeakPolarHBondContact CD1-OG 3.48Å; L462-V623 HydrophobicContact CD1-CG2 3.68Å |
| 463 | S | 96 | Very high | 91.5 | Very high | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.028 | 30% | 0.295 | C | S | . | . | trans | -130.3 | 120.5 | 173.2 | -178.3 | 0 | 0 | 0 | 0 | 109.9 | W461 E481 G586 N587 | W461-S463 PolarHBondContact O-N 3.49Å; S463-E481 WeakPolarHBondContact OG-CG 3.19Å; S463-G586 PolarHBondContact N-O 2.79Å; S463-G586 CarbonylContact O-C 3.52Å; S463-N587 VanDerWaalsContact O-CA 3.31Å; S463-N587 WeakPolarHBondContact O-CA 3.41Å; S463-N587 WeakPolarHBondContact O-CB 3.31Å; S463-N587 PolarHBondContact O-N 2.9Å | ||
| 464 | M | 93.1 | Very high | 90.7 | Very high | 90 Ų | 90 | 50.2 Ų | 50.2 | 44% | 0.443 | 31% | 0.313 | S | S | . | . | trans | -99.1 | 14.2 | 179.7 | -62.1 | -62.2 | -62.5 | 0 | 0 | 112.8 | L462 N587 K589 | L462-M464 HydrophobicContact CD2-CG 3.62Å; L462-M464 HydrophobicContact CD2-SD 4.11Å; M464-N587 PolarHBondContact SD-OD1 3.46Å; M464-K589 HydrophobicContact CE-CD 4.05Å | ||
| 465 | G | 94.6 | Very high | 90.7 | Very high | 8 Ų | 8 | 46.9 Ų | 46.9 | 8% | 0.082 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -57.4 | 143 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N478 S556 | G465-N478 PolarHBondContact O-ND2 3.36Å; G465-S556 WeakPolarHBondContact O-CB 3.37Å; G465-S556 PolarHBondContact O-OG 2.83Å |
| 466 | Q | 94.1 | Very high | 90.8 | Very high | 130 Ų | 130 | 44 Ų | 44 | 61% | 0.607 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -70.3 | 140.1 | 178.6 | -166.4 | 68.5 | 22.8 | 0 | 0 | 110.7 | ||
| 467 | E | 94.9 | Very high | 90.8 | Very high | 20 Ų | 20 | 43.5 Ų | 43.5 | 9% | 0.093 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 144.3 | 168.7 | 71.8 | -176.5 | -145.1 | 0 | 0 | 111.4 | R555 S556 N557 | E467-R555 IonicContact OE1-CZ 3.43Å; E467-R555 IonicContact OE1-NE 3.1Å; E467-R555 IonicContact OE1-NH1 3.34Å; E467-R555 PolarHBondContact OE1-NH1 3.3Å; E467-R555 IonicContact OE1-NH2 3.28Å; E467-R555 PolarHBondContact OE1-NH2 2.78Å; E467-R555 VanDerWaalsContact OE2-CA 3.27Å; E467-R555 WeakPolarHBondContact OE2-CA 3.12Å; E467-R555 IonicContact OE2-CZ 3.01Å; E467-R555 IonicContact OE2-NE 3.3Å; E467-R555 PolarHBondContact OE2-NE 3.43Å; E467-R555 IonicContact OE2-NH1 3.65Å; E467-R555 PolarHBondContact OE2-NH1 3.16Å; E467-R555 IonicContact OE2-NH2 2.75Å; E467-R555 PolarHBondContact OE2-NH2 3.45Å; E467-S556 WeakPolarHBondContact CG-O 3.23Å; E467-S556 PolarHBondContact OE2-N 2.85Å; E467-N557 HydrophobicContact CG-CB 4.38Å; E467-N557 WeakPolarHBondContact OE1-CB 3.34Å; E467-N557 PolarHBondContact OE1-ND2 3.39Å; E467-N557 PolarHBondContact OE2-ND2 2.81Å |
| 468 | E | 94.4 | Very high | 90.8 | Very high | 71 Ų | 71 | 43 Ų | 43 | 33% | 0.332 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 154.6 | 177.2 | -67.2 | 171.7 | -137.3 | 0 | 0 | 110.1 | Y476 L477 R479 | E468-Y476 CarbonylContact O-C 3.59Å; E468-Y476 VanDerWaalsContact O-CA 3.26Å; E468-Y476 WeakPolarHBondContact O-CA 3.41Å; E468-L477 HydrophobicContact CB-CD1 3.84Å; E468-L477 HydrophobicContact CB-CG 4.19Å; E468-L477 HydrophobicContact CG-CD1 4.43Å; E468-L477 PolarHBondContact N-O 3.48Å; E468-L477 PolarHBondContact O-N 3.06Å; E468-R479 VanDerWaalsContact CD-NE 3.31Å; E468-R479 VanDerWaalsContact OE1-CD 3.23Å; E468-R479 WeakPolarHBondContact OE1-CD 3.46Å; E468-R479 IonicContact OE1-NE 3.34Å; E468-R479 PolarHBondContact OE1-NE 3.1Å; E468-R479 IonicContact OE2-CZ 4Å; E468-R479 IonicContact OE2-NE 3.73Å; E468-R479 PolarHBondContact OE2-NE 3.01Å; E468-R479 IonicContact OE2-NH2 3.42Å; E468-R479 PolarHBondContact OE2-NH2 3.43Å |
| 469 | I | 89.9 | Confident | 90.8 | Very high | 108 Ų | 108 | 48.2 Ų | 48.2 | 55% | 0.554 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 134 | 168.1 | -60.7 | 172.9 | 0 | 0 | 0 | 108.1 | S475 Y476 | I469-S475 WeakPolarHBondContact CA-O 3.29Å; I469-Y476 HydrophobicContact CG1-CD1 4.2Å; I469-Y476 HydrophobicContact CG1-CE1 3.9Å |
| 470 | S | 83.2 | Confident | 90.7 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | trans | -68 | 166.3 | 178.5 | 59.9 | 0 | 0 | 0 | 0 | 112.6 | S472 G473 S475 | S470-S472 PolarHBondContact O-N 3.24Å; S470-S472 VanDerWaalsContact O-N 3.12Å; S470-S472 PolarHBondContact OG-OG 3.2Å; S470-G473 PolarHBondContact O-N 3.39Å; S470-S475 PolarHBondContact N-O 3.33Å; S470-S475 VanDerWaalsContact OG-CB 3.25Å; S470-S475 WeakPolarHBondContact OG-CB 3.48Å; S470-S475 PolarHBondContact OG-N 3.12Å; S470-S475 PolarHBondContact OG-O 3.26Å; S470-S475 VanDerWaalsContact OG-O 3.14Å | ||
| 471 | G | 74.1 | Confident | 90.7 | Very high | 92 Ų | 92 | 51.5 Ų | 51.5 | 95% | 0.948 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -26.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | G473 | G471-G473 PolarHBondContact O-N 3.42Š|
| 472 | S | 71.5 | Confident | 90.7 | Very high | 63 Ų | 63 | 51.1 Ų | 51.1 | 44% | 0.441 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -13.4 | 173.6 | 60.8 | 0 | 0 | 0 | 0 | 114.4 | S470 T474 | S470-S472 PolarHBondContact O-N 3.24Å; S470-S472 VanDerWaalsContact O-N 3.12Å; S470-S472 PolarHBondContact OG-OG 3.2Å; S472-T474 PolarHBondContact O-N 2.83Å |
| 473 | G | 76.3 | Confident | 90.6 | Very high | 51 Ų | 51 | 50.6 Ų | 50.6 | 53% | 0.526 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 75.8 | -6.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | S470 G471 | S470-G473 PolarHBondContact O-N 3.39Å; G471-G473 PolarHBondContact O-N 3.42Å |
| 474 | T | 78.2 | Confident | 90.8 | Very high | 122 Ų | 122 | 51.1 Ų | 51.1 | 75% | 0.748 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -117.9 | -5 | -172.2 | 58.1 | 0 | 0 | 0 | 0 | 114.2 | S472 | S472-T474 PolarHBondContact O-N 2.83Š|
| 475 | S | 88.1 | Confident | 91 | Very high | 12 Ų | 12 | 46.9 Ų | 46.9 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -126.8 | 168.7 | -179.7 | -147.7 | 0 | 0 | 0 | 0 | 111.6 | I469 S470 E509 G510 | I469-S475 WeakPolarHBondContact CA-O 3.29Å; S470-S475 PolarHBondContact N-O 3.33Å; S470-S475 VanDerWaalsContact OG-CB 3.25Å; S470-S475 WeakPolarHBondContact OG-CB 3.48Å; S470-S475 PolarHBondContact OG-N 3.12Å; S470-S475 PolarHBondContact OG-O 3.26Å; S470-S475 VanDerWaalsContact OG-O 3.14Å; S475-E509 PolarHBondContact OG-N 3.1Å; S475-G510 PolarHBondContact OG-N 3.19Å |
| 476 | Y | 93.3 | Very high | 91.1 | Very high | 71 Ų | 71 | 47.2 Ų | 47.2 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 152.9 | 178.3 | -64.5 | -83.1 | 0 | 0 | 0 | 111.1 | E468 I469 Y508 Q511 R555 | E468-Y476 CarbonylContact O-C 3.59Å; E468-Y476 VanDerWaalsContact O-CA 3.26Å; E468-Y476 WeakPolarHBondContact O-CA 3.41Å; I469-Y476 HydrophobicContact CG1-CD1 4.2Å; I469-Y476 HydrophobicContact CG1-CE1 3.9Å; Y476-Y508 AromaticContact CD2-CD1 3.9Å; Y476-Y508 HydrophobicContact CD2-CD1 3.9Å; Y476-Y508 AromaticContact CD2-CE1 3.65Å; Y476-Y508 HydrophobicContact CD2-CE1 3.65Å; Y476-Y508 HydrophobicContact CE2-CE1 4.47Å; Y476-Y508 HydrophobicContact CG-CE1 4.49Å; Y476-Y508 VanDerWaalsContact O-CB 3.26Å; Y476-Y508 WeakPolarHBondContact O-CB 3.44Å; Y476-Q511 PolarHBondContact O-N 3.09Å; Y476-Q511 VanDerWaalsContact O-N 3.15Å; Y476-R555 VanDerWaalsContact CE2-NH1 3.26Å |
| 477 | L | 95.7 | Very high | 91.3 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 160.8 | 171.4 | 66.3 | 84.8 | 0 | 0 | 0 | 110.9 | E468 R479 Q511 F514 | E468-L477 HydrophobicContact CB-CD1 3.84Å; E468-L477 HydrophobicContact CB-CG 4.19Å; E468-L477 HydrophobicContact CG-CD1 4.43Å; E468-L477 PolarHBondContact N-O 3.48Å; E468-L477 PolarHBondContact O-N 3.06Å; L477-R479 HydrophobicContact CD1-CG 3.69Å; L477-Q511 VanDerWaalsContact CA-OE1 3.29Å; L477-F514 HydrophobicContact CD2-CB 4.45Å |
| 478 | N | 97.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -139.3 | 106.2 | 174.7 | -173.5 | -39.2 | 0 | 0 | 0 | 108.3 | G465 T480 E481 A482 Q511 V554 | G465-N478 PolarHBondContact O-ND2 3.36Å; N478-T480 VanDerWaalsContact C-N 3.3Å; N478-T480 PolarHBondContact O-N 3.39Å; N478-T480 PolarHBondContact OD1-N 3.47Å; N478-E481 HydrophobicContact CB-CB 4.09Å; N478-E481 HydrophobicContact CB-CG 4.12Å; N478-E481 PolarHBondContact O-N 2.89Å; N478-E481 PolarHBondContact OD1-N 3.01Å; N478-E481 VanDerWaalsContact OD1-N 3.14Å; N478-A482 PolarHBondContact O-N 3.45Å; N478-Q511 PolarHBondContact O-NE2 3.01Å; N478-Q511 VanDerWaalsContact O-NE2 3.08Å; N478-Q511 PolarHBondContact O-OE1 3.31Å; N478-V554 HydrophobicContact CB-CG1 4.07Å; N478-V554 PolarHBondContact ND2-O 2.87Å | ||
| 479 | R | 97.3 | Very high | 91.6 | Very high | 115 Ų | 115 | 41.5 Ų | 41.5 | 43% | 0.434 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.3 | -34.4 | -173.4 | -60.3 | -177.8 | -172.1 | -88.2 | -7 | 112.8 | E468 L477 A482 A483 F514 | E468-R479 VanDerWaalsContact CD-NE 3.31Å; E468-R479 VanDerWaalsContact OE1-CD 3.23Å; E468-R479 WeakPolarHBondContact OE1-CD 3.46Å; E468-R479 IonicContact OE1-NE 3.34Å; E468-R479 PolarHBondContact OE1-NE 3.1Å; E468-R479 IonicContact OE2-CZ 4Å; E468-R479 IonicContact OE2-NE 3.73Å; E468-R479 PolarHBondContact OE2-NE 3.01Å; E468-R479 IonicContact OE2-NH2 3.42Å; E468-R479 PolarHBondContact OE2-NH2 3.43Å; L477-R479 HydrophobicContact CD1-CG 3.69Å; R479-A482 PolarHBondContact O-N 3.18Å; R479-A483 WeakPolarHBondContact O-CB 3.38Å; R479-A483 PolarHBondContact O-N 3.39Å; R479-F514 HydrophobicContact CB-CE1 4.12Å; R479-F514 HydrophobicContact CB-CZ 4.3Å; R479-F514 HydrophobicContact CG-CE1 3.96Å; R479-F514 HydrophobicContact CG-CZ 3.87Å; R479-F514 VanDerWaalsContact NH1-CE2 3.34Å |
| 480 | T | 97.7 | Very high | 92 | Very high | 69 Ų | 69 | 36.8 Ų | 36.8 | 42% | 0.423 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.9 | -45.3 | 179.5 | -54.6 | 0 | 0 | 0 | 0 | 110.3 | N478 A482 A483 N484 | N478-T480 VanDerWaalsContact C-N 3.3Å; N478-T480 PolarHBondContact O-N 3.39Å; N478-T480 PolarHBondContact OD1-N 3.47Å; T480-A482 PolarHBondContact O-N 3.03Å; T480-A483 PolarHBondContact O-N 3.23Å; T480-N484 PolarHBondContact O-N 2.86Å |
| 481 | E | 98 | Very high | 92.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.3 | -44.1 | 173.7 | -70.6 | -170.1 | -155.8 | 0 | 0 | 111.8 | S463 N478 A483 N484 I485 S552 C553 V554 V585 | S463-E481 WeakPolarHBondContact OG-CG 3.19Å; N478-E481 HydrophobicContact CB-CB 4.09Å; N478-E481 HydrophobicContact CB-CG 4.12Å; N478-E481 PolarHBondContact O-N 2.89Å; N478-E481 PolarHBondContact OD1-N 3.01Å; N478-E481 VanDerWaalsContact OD1-N 3.14Å; E481-A483 VanDerWaalsContact C-N 3.31Å; E481-A483 PolarHBondContact O-N 3.45Å; E481-N484 CarbonylContact O-C 3.56Å; E481-N484 WeakPolarHBondContact O-CA 3.46Å; E481-N484 WeakPolarHBondContact O-CB 3.4Å; E481-N484 PolarHBondContact O-N 3.39Å; E481-I485 VanDerWaalsContact O-CG1 3.32Å; E481-I485 WeakPolarHBondContact O-CG1 3.28Å; E481-I485 PolarHBondContact O-N 3.35Å; E481-S552 PolarHBondContact OE2-OG 2.68Å; E481-C553 PolarHBondContact OE2-N 3.22Å; E481-C553 VanDerWaalsContact OE2-N 3.09Å; E481-V554 VanDerWaalsContact CD-N 3.3Å; E481-V554 WeakPolarHBondContact OE1-CA 3.46Å; E481-V554 PolarHBondContact OE1-N 2.8Å; E481-V554 VanDerWaalsContact OE1-N 3.15Å; E481-V554 WeakPolarHBondContact OE2-CA 3.43Å; E481-V554 PolarHBondContact OE2-N 3.41Å; E481-V585 HydrophobicContact CB-CG1 4.27Å; E481-V585 HydrophobicContact CG-CG1 3.98Å |
| 482 | A | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.8 | -39.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N478 R479 T480 N484 I485 E486 F514 I515 | N478-A482 PolarHBondContact O-N 3.45Å; R479-A482 PolarHBondContact O-N 3.18Å; T480-A482 PolarHBondContact O-N 3.03Å; A482-N484 VanDerWaalsContact C-N 3.33Å; A482-N484 PolarHBondContact O-N 3.14Å; A482-I485 PolarHBondContact O-N 3.39Å; A482-E486 PolarHBondContact O-N 3.19Å; A482-F514 HydrophobicContact CB-CD1 3.47Å; A482-F514 VanDerWaalsContact CB-CD1 3.47Å; A482-F514 HydrophobicContact CB-CE1 3.57Å; A482-I515 HydrophobicContact CB-CG1 3.7Å |
| 483 | A | 97.6 | Very high | 94.9 | Very high | 14 Ų | 14 | 33.4 Ų | 33.4 | 12% | 0.116 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.7 | -36.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | R479 T480 E481 K487 Y518 | R479-A483 WeakPolarHBondContact O-CB 3.38Å; R479-A483 PolarHBondContact O-N 3.39Å; T480-A483 PolarHBondContact O-N 3.23Å; E481-A483 VanDerWaalsContact C-N 3.31Å; E481-A483 PolarHBondContact O-N 3.45Å; A483-K487 VanDerWaalsContact O-CG 3.28Å; A483-K487 WeakPolarHBondContact O-CG 3.37Å; A483-K487 PolarHBondContact O-N 3.11Å; A483-Y518 HydrophobicContact CB-CE1 3.93Å |
| 484 | N | 98.3 | Very high | 95.8 | Very high | 15 Ų | 15 | 37.2 Ų | 37.2 | 8% | 0.08 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.3 | -39.3 | 175.2 | -71.8 | -16.8 | 0 | 0 | 0 | 112.2 | W461 T480 E481 A482 K487 L488 V585 | W461-N484 HydrophobicContact CE3-CB 4.05Å; W461-N484 HydrophobicContact CH2-CB 3.97Å; W461-N484 HydrophobicContact CZ3-CB 3.61Å; T480-N484 PolarHBondContact O-N 2.86Å; E481-N484 CarbonylContact O-C 3.56Å; E481-N484 WeakPolarHBondContact O-CA 3.46Å; E481-N484 WeakPolarHBondContact O-CB 3.4Å; E481-N484 PolarHBondContact O-N 3.39Å; A482-N484 VanDerWaalsContact C-N 3.33Å; A482-N484 PolarHBondContact O-N 3.14Å; N484-K487 PolarHBondContact O-N 3.45Å; N484-L488 WeakPolarHBondContact O-CG 3.44Å; N484-L488 PolarHBondContact O-N 2.91Å; N484-V585 HydrophobicContact CB-CG1 4.23Å |
| 485 | I | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62 | -44.4 | 174 | -66.8 | -68.8 | 0 | 0 | 0 | 110.9 | E481 A482 K487 L488 A489 I504 I515 L550 V585 | E481-I485 VanDerWaalsContact O-CG1 3.32Å; E481-I485 WeakPolarHBondContact O-CG1 3.28Å; E481-I485 PolarHBondContact O-N 3.35Å; A482-I485 PolarHBondContact O-N 3.39Å; I485-K487 PolarHBondContact O-N 3Å; I485-L488 PolarHBondContact O-N 2.93Å; I485-A489 WeakPolarHBondContact O-CB 3.29Å; I485-A489 PolarHBondContact O-N 3.17Å; I485-I504 HydrophobicContact CG2-CD1 3.6Å; I485-I504 HydrophobicContact CG2-CG1 4.06Å; I485-I504 HydrophobicContact CG2-CG2 3.77Å; I485-I515 HydrophobicContact CB-CD1 4.49Å; I485-I515 HydrophobicContact CG1-CD1 4.38Å; I485-I515 HydrophobicContact CG2-CD1 4.29Å; I485-I515 HydrophobicContact CG2-CG2 4.05Å; I485-L550 HydrophobicContact CD1-CB 3.87Å; I485-L550 HydrophobicContact CG2-CD1 4.39Å; I485-V585 HydrophobicContact CD1-CB 4.33Å; I485-V585 HydrophobicContact CD1-CG2 3.79Å |
| 486 | E | 97.5 | Very high | 96.9 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 7% | 0.07 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.9 | -47.2 | 174.4 | 179.4 | -75.9 | 137.9 | 0 | 0 | 111.2 | A482 L488 A489 T490 Y518 M519 | A482-E486 PolarHBondContact O-N 3.19Å; E486-L488 VanDerWaalsContact C-N 3.3Å; E486-L488 PolarHBondContact O-N 3.48Å; E486-A489 PolarHBondContact O-N 3.35Å; E486-T490 WeakPolarHBondContact O-CB 3.45Å; E486-T490 PolarHBondContact O-N 3.2Å; E486-T490 PolarHBondContact O-OG1 2.85Å; E486-T490 VanDerWaalsContact O-OG1 3.12Å; E486-T490 WeakPolarHBondContact OE1-CB 3.3Å; E486-T490 PolarHBondContact OE1-OG1 2.89Å; E486-Y518 HydrophobicContact CB-CD1 3.82Å; E486-Y518 HydrophobicContact CB-CE1 4Å; E486-Y518 HydrophobicContact CG-CD1 4.05Å; E486-Y518 HydrophobicContact CG-CE1 4.16Å; E486-M519 HydrophobicContact CB-CG 3.95Å; E486-M519 HydrophobicContact CG-CG 3.93Å |
| 487 | K | 97.3 | Very high | 97 | Very high | 102 Ų | 102 | 32.6 Ų | 32.6 | 44% | 0.443 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.1 | -42.3 | 177.9 | -72.4 | 168.3 | -170.3 | 168.9 | 0 | 112.3 | A483 N484 I485 K491 L615 | A483-K487 VanDerWaalsContact O-CG 3.28Å; A483-K487 WeakPolarHBondContact O-CG 3.37Å; A483-K487 PolarHBondContact O-N 3.11Å; N484-K487 PolarHBondContact O-N 3.45Å; I485-K487 PolarHBondContact O-N 3Å; K487-K491 VanDerWaalsContact O-CB 3.3Å; K487-K491 WeakPolarHBondContact O-CB 3.19Å; K487-K491 PolarHBondContact O-N 2.86Å; K487-L615 HydrophobicContact CB-CD2 4.27Å |
| 488 | L | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.9 | -50.5 | 176.2 | -73.6 | 170.3 | 0 | 0 | 0 | 111.5 | F459 W461 N484 I485 E486 T490 K491 F492 L550 I583 V585 L615 | F459-L488 HydrophobicContact CZ-CD2 4.32Å; W461-L488 HydrophobicContact CE3-CD1 3.88Å; W461-L488 HydrophobicContact CE3-CD2 4.34Å; W461-L488 HydrophobicContact CE3-CG 4.15Å; W461-L488 HydrophobicContact CZ3-CD1 4.02Å; W461-L488 HydrophobicContact CZ3-CD2 4.13Å; W461-L488 HydrophobicContact CZ3-CG 3.82Å; N484-L488 WeakPolarHBondContact O-CG 3.44Å; N484-L488 PolarHBondContact O-N 2.91Å; I485-L488 PolarHBondContact O-N 2.93Å; E486-L488 VanDerWaalsContact C-N 3.3Å; E486-L488 PolarHBondContact O-N 3.48Å; L488-T490 VanDerWaalsContact C-N 3.33Å; L488-T490 PolarHBondContact O-N 2.82Å; L488-K491 PolarHBondContact O-N 3.29Å; L488-K491 VanDerWaalsContact O-N 3.16Å; L488-F492 WeakPolarHBondContact O-CG 3.18Å; L488-F492 PolarHBondContact O-N 3.16Å; L488-L550 HydrophobicContact CB-CD1 3.72Å; L488-L550 HydrophobicContact CB-CD2 4.12Å; L488-L550 HydrophobicContact CD1-CD2 4.13Å; L488-I583 HydrophobicContact CD1-CB 4.25Å; L488-I583 HydrophobicContact CD1-CD1 4.31Å; L488-I583 HydrophobicContact CD1-CG2 3.66Å; L488-I583 HydrophobicContact CD2-CD1 3.63Å; L488-V585 HydrophobicContact CD1-CG2 3.95Å; L488-L615 HydrophobicContact CD2-CD1 3.49Å; L488-L615 VanDerWaalsContact CD2-CD1 3.49Å; L488-L615 HydrophobicContact CD2-CD2 3.93Å; L488-L615 HydrophobicContact CD2-CG 4.37Å |
| 489 | A | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.7 | -47.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I485 E486 K491 F492 L493 M519 I533 L550 | I485-A489 WeakPolarHBondContact O-CB 3.29Å; I485-A489 PolarHBondContact O-N 3.17Å; E486-A489 PolarHBondContact O-N 3.35Å; A489-K491 PolarHBondContact O-N 2.9Å; A489-F492 PolarHBondContact O-N 3.01Å; A489-L493 WeakPolarHBondContact O-CG 3.49Å; A489-L493 PolarHBondContact O-N 2.89Å; A489-M519 HydrophobicContact CB-SD 4.14Å; A489-I533 HydrophobicContact CB-CD1 4.04Å; A489-L550 HydrophobicContact CB-CD1 4.22Å |
| 490 | T | 97.4 | Very high | 96.7 | Very high | 9 Ų | 9 | 37.2 Ų | 37.2 | 6% | 0.055 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.3 | -42.3 | 176 | -69 | 0 | 0 | 0 | 0 | 112.3 | E486 L488 K494 L525 Y530 | E486-T490 WeakPolarHBondContact O-CB 3.45Å; E486-T490 PolarHBondContact O-N 3.2Å; E486-T490 PolarHBondContact O-OG1 2.85Å; E486-T490 VanDerWaalsContact O-OG1 3.12Å; E486-T490 WeakPolarHBondContact OE1-CB 3.3Å; E486-T490 PolarHBondContact OE1-OG1 2.89Å; L488-T490 VanDerWaalsContact C-N 3.33Å; L488-T490 PolarHBondContact O-N 2.82Å; T490-K494 HydrophobicContact CG2-CD 4.14Å; T490-K494 WeakPolarHBondContact O-CB 3.38Å; T490-K494 WeakPolarHBondContact O-CG 3.31Å; T490-K494 PolarHBondContact O-N 3.25Å; T490-L525 HydrophobicContact CG2-CD1 4.18Å; T490-L525 HydrophobicContact CG2-CG 4.32Å; T490-Y530 WeakPolarHBondContact OG1-CE1 3.43Å; T490-Y530 PolarHBondContact OG1-OH 3.05Å |
| 491 | K | 96.9 | Very high | 96.7 | Very high | 74 Ų | 74 | 34.4 Ų | 34.4 | 32% | 0.322 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.1 | -44 | 177.1 | -177.7 | 65.3 | 175.4 | -174.9 | 0 | 111.1 | F449 K487 L488 A489 K494 L495 L615 | F449-K491 HydrophobicContact CD2-CG 4.27Å; F449-K491 HydrophobicContact CE2-CG 4.08Å; K487-K491 VanDerWaalsContact O-CB 3.3Å; K487-K491 WeakPolarHBondContact O-CB 3.19Å; K487-K491 PolarHBondContact O-N 2.86Å; L488-K491 PolarHBondContact O-N 3.29Å; L488-K491 VanDerWaalsContact O-N 3.16Å; A489-K491 PolarHBondContact O-N 2.9Å; K491-K494 PolarHBondContact O-N 3.12Å; K491-L495 HydrophobicContact CD-CD1 4.41Å; K491-L495 HydrophobicContact CG-CD1 4.25Å; K491-L495 WeakPolarHBondContact O-CG 3.1Å; K491-L495 PolarHBondContact O-N 3.35Å; K491-L615 HydrophobicContact CB-CD2 3.95Å; K491-L615 HydrophobicContact CG-CD2 4.25Å |
| 492 | F | 97.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.8 | -46 | 177.8 | -76.6 | 9.1 | 0 | 0 | 0 | 111.7 | F447 F449 W451 L488 A489 K494 L495 G496 A497 I502 F548 L550 I583 | F447-F492 HydrophobicContact CE2-CB 4.23Å; F447-F492 HydrophobicContact CE2-CD1 4.32Å; F447-F492 HydrophobicContact CE2-CG 4.3Å; F447-F492 HydrophobicContact CZ-CB 4.31Å; F447-F492 AromaticContact CZ-CD1 3.64Å; F447-F492 HydrophobicContact CZ-CD1 3.64Å; F447-F492 HydrophobicContact CZ-CD2 4.4Å; F447-F492 AromaticContact CZ-CE1 3.93Å; F447-F492 HydrophobicContact CZ-CE1 3.93Å; F447-F492 AromaticContact CZ-CG 3.87Å; F447-F492 HydrophobicContact CZ-CG 3.87Å; F447-F492 HydrophobicContact CZ-CZ 4.42Å; F449-F492 HydrophobicContact CD1-CE1 4.44Å; F449-F492 AromaticContact CD2-CD1 3.86Å; F449-F492 HydrophobicContact CD2-CD1 3.86Å; F449-F492 AromaticContact CD2-CE1 3.51Å; F449-F492 HydrophobicContact CD2-CE1 3.51Å; F449-F492 HydrophobicContact CE1-CE1 4.42Å; F449-F492 HydrophobicContact CE2-CD1 4.02Å; F449-F492 AromaticContact CE2-CE1 3.5Å; F449-F492 HydrophobicContact CE2-CE1 3.5Å; F449-F492 VanDerWaalsContact CE2-CE1 3.5Å; F449-F492 HydrophobicContact CG-CE1 4Å; F449-F492 AromaticContact CZ-CE1 3.97Å; F449-F492 HydrophobicContact CZ-CE1 3.97Å; W451-F492 HydrophobicContact CH2-CZ 4.28Å; L488-F492 WeakPolarHBondContact O-CG 3.18Å; L488-F492 PolarHBondContact O-N 3.16Å; A489-F492 PolarHBondContact O-N 3.01Å; F492-K494 PolarHBondContact O-N 3.27Å; F492-L495 CarbonylContact O-C 3.44Å; F492-L495 PolarHBondContact O-N 3.49Å; F492-L495 VanDerWaalsContact O-N 3.17Å; F492-G496 PolarHBondContact O-N 3.24Å; F492-A497 HydrophobicContact CB-CB 4.16Å; F492-A497 WeakPolarHBondContact O-CB 3.47Å; F492-A497 PolarHBondContact O-N 3.1Å; F492-I502 HydrophobicContact CB-CD1 3.75Å; F492-I502 HydrophobicContact CD2-CD1 4.39Å; F492-I502 HydrophobicContact CD2-CG1 4.44Å; F492-F548 HydrophobicContact CD2-CB 3.97Å; F492-F548 HydrophobicContact CD2-CD2 4.41Å; F492-F548 HydrophobicContact CD2-CG 4.1Å; F492-F548 HydrophobicContact CE2-CB 3.65Å; F492-F548 HydrophobicContact CE2-CD1 4.1Å; F492-F548 AromaticContact CE2-CG 3.87Å; F492-F548 HydrophobicContact CE2-CG 3.87Å; F492-L550 HydrophobicContact CD2-CD2 4.39Å; F492-L550 HydrophobicContact CE2-CD2 3.68Å; F492-L550 HydrophobicContact CZ-CD2 4.14Å; F492-I583 HydrophobicContact CE1-CD1 3.97Å; F492-I583 HydrophobicContact CE2-CD1 4.41Å; F492-I583 HydrophobicContact CZ-CD1 3.47Å; F492-I583 VanDerWaalsContact CZ-CD1 3.47Å; F492-I583 HydrophobicContact CZ-CG1 4.41Å |
| 493 | L | 96.2 | Very high | 96.7 | Very high | 20 Ų | 20 | 34.4 Ų | 34.4 | 11% | 0.105 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60 | -43.5 | 175.1 | -69.8 | 176.5 | 0 | 0 | 0 | 112 | A489 L495 G496 A497 P499 I502 L525 L529 Y530 I533 | A489-L493 WeakPolarHBondContact O-CG 3.49Å; A489-L493 PolarHBondContact O-N 2.89Å; L493-L495 PolarHBondContact O-N 2.8Å; L493-G496 PolarHBondContact O-N 2.85Å; L493-A497 WeakPolarHBondContact CD2-O 3.35Å; L493-P499 HydrophobicContact CD2-CB 4.45Å; L493-P499 HydrophobicContact CD2-CG 3.82Å; L493-I502 HydrophobicContact CD2-CD1 3.95Å; L493-I502 HydrophobicContact CG-CD1 4.13Å; L493-L525 HydrophobicContact CB-CD1 3.58Å; L493-L525 HydrophobicContact CD1-CD1 3.72Å; L493-L525 HydrophobicContact CG-CD1 4.34Å; L493-L529 HydrophobicContact CD1-CB 4.11Å; L493-Y530 HydrophobicContact CD1-CD1 4.27Å; L493-Y530 HydrophobicContact CD1-CE1 4.14Å; L493-I533 HydrophobicContact CD1-CD1 4.04Å; L493-I533 HydrophobicContact CD2-CD1 4.49Å; L493-I533 HydrophobicContact CG-CD1 4.38Å |
| 494 | K | 95.6 | Very high | 96.8 | Very high | 131 Ų | 131 | 33.8 Ų | 33.8 | 57% | 0.57 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -63.5 | -27.7 | 177 | -79.1 | 175.8 | 177.2 | 173.6 | 0 | 113.3 | T490 K491 F492 G496 T524 L525 | T490-K494 HydrophobicContact CG2-CD 4.14Å; T490-K494 WeakPolarHBondContact O-CB 3.38Å; T490-K494 WeakPolarHBondContact O-CG 3.31Å; T490-K494 PolarHBondContact O-N 3.25Å; K491-K494 PolarHBondContact O-N 3.12Å; F492-K494 PolarHBondContact O-N 3.27Å; K494-G496 VanDerWaalsContact C-N 3.27Å; K494-T524 PolarHBondContact NZ-OG1 3.3Å; K494-L525 HydrophobicContact CG-CD1 4.31Å; K494-L525 HydrophobicContact CG-CD2 4.17Å |
| 495 | L | 95.2 | Very high | 96.8 | Very high | 44 Ų | 44 | 33 Ų | 33 | 23% | 0.23 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 6.9 | 175.1 | -67.3 | 174.6 | 0 | 0 | 0 | 113.2 | F447 D448 F449 K491 F492 L493 | F447-L495 HydrophobicContact CD2-CB 3.91Å; F447-L495 HydrophobicContact CE2-CB 3.8Å; F447-L495 HydrophobicContact CE2-CD1 4.37Å; D448-L495 WeakPolarHBondContact O-CD1 3.34Å; F449-L495 HydrophobicContact CB-CD1 3.81Å; F449-L495 HydrophobicContact CD2-CD1 3.73Å; F449-L495 HydrophobicContact CG-CD1 4.26Å; K491-L495 HydrophobicContact CD-CD1 4.41Å; K491-L495 HydrophobicContact CG-CD1 4.25Å; K491-L495 WeakPolarHBondContact O-CG 3.1Å; K491-L495 PolarHBondContact O-N 3.35Å; F492-L495 CarbonylContact O-C 3.44Å; F492-L495 PolarHBondContact O-N 3.49Å; F492-L495 VanDerWaalsContact O-N 3.17Å; L493-L495 PolarHBondContact O-N 2.8Å |
| 496 | G | 93.1 | Very high | 96.7 | Very high | 59 Ų | 59 | 33.1 Ų | 33.1 | 61% | 0.608 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.7 | 5.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | F492 L493 K494 R498 | F492-G496 PolarHBondContact O-N 3.24Å; L493-G496 PolarHBondContact O-N 2.85Å; K494-G496 VanDerWaalsContact C-N 3.27Å; G496-R498 PolarHBondContact O-N 2.99Å |
| 497 | A | 95.4 | Very high | 96.5 | Very high | 5 Ų | 5 | 33.3 Ų | 33.3 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | trans | -63.9 | 134.3 | 167 | 0 | 0 | 0 | 0 | 0 | 109.3 | F447 F492 L493 I502 F548 | F447-A497 HydrophobicContact CD2-CB 4.13Å; F447-A497 HydrophobicContact CE2-CB 3.8Å; F492-A497 HydrophobicContact CB-CB 4.16Å; F492-A497 WeakPolarHBondContact O-CB 3.47Å; F492-A497 PolarHBondContact O-N 3.1Å; L493-A497 WeakPolarHBondContact CD2-O 3.35Å; A497-I502 HydrophobicContact CB-CD1 4.19Å; A497-I502 HydrophobicContact CB-CG1 4.34Å; A497-F548 HydrophobicContact CB-CD2 4.31Å; A497-F548 HydrophobicContact CB-CE2 4.13Å | ||
| 498 | R | 95.1 | Very high | 96.3 | Very high | 125 Ų | 125 | 28.8 Ų | 28.8 | 47% | 0.472 | 15% | 0.151 | S | C | . | . | trans | -78.1 | 150 | 174.6 | -55.1 | -174.8 | -51.1 | -75.9 | -4.7 | 110.2 | G496 D500 Q501 | G496-R498 PolarHBondContact O-N 2.99Å; R498-D500 WeakPolarHBondContact CB-OD1 3.37Å; R498-D500 IonicContact CZ-OD1 3.47Å; R498-D500 IonicContact CZ-OD2 3.83Å; R498-D500 IonicContact NE-OD1 2.72Å; R498-D500 PolarHBondContact NE-OD1 3.03Å; R498-D500 IonicContact NE-OD2 3.66Å; R498-D500 PolarHBondContact NE-OD2 3.44Å; R498-D500 IonicContact NH2-OD1 3.62Å; R498-D500 IonicContact NH2-OD2 3.01Å; R498-D500 PolarHBondContact NH2-OD2 2.71Å; R498-D500 PolarHBondContact O-N 3.33Å; R498-Q501 HydrophobicContact CB-CG 4.15Å; R498-Q501 VanDerWaalsContact NH2-CD 3.35Å; R498-Q501 VanDerWaalsContact O-CB 3.28Å; R498-Q501 WeakPolarHBondContact O-CB 3.43Å; R498-Q501 PolarHBondContact O-N 3.15Å | ||
| 499 | P | 95.7 | Very high | 95.9 | Very high | 18 Ų | 18 | 32 Ų | 32 | 12% | 0.117 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -51.9 | -40.5 | 176.7 | -29 | 35.7 | 0 | 0 | 0 | 114.1 | L493 Q501 I502 L529 D532 I533 | L493-P499 HydrophobicContact CD2-CB 4.45Å; L493-P499 HydrophobicContact CD2-CG 3.82Å; P499-Q501 PolarHBondContact O-N 3.01Å; P499-Q501 VanDerWaalsContact O-N 3.15Å; P499-I502 PolarHBondContact O-N 2.85Å; P499-I502 VanDerWaalsContact O-N 3.09Å; P499-L529 WeakPolarHBondContact CB-O 3.21Å; P499-L529 HydrophobicContact CG-CB 4.29Å; P499-L529 HydrophobicContact CG-CD2 3.89Å; P499-L529 WeakPolarHBondContact CG-O 3.22Å; P499-D532 HydrophobicContact CB-CB 3.48Å; P499-D532 VanDerWaalsContact CB-CB 3.48Å; P499-D532 HydrophobicContact CG-CB 4.16Å; P499-I533 HydrophobicContact CB-CG1 3.99Å |
| 500 | D | 95.2 | Very high | 95.5 | Very high | 80 Ų | 80 | 32.4 Ų | 32.4 | 43% | 0.428 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -63.5 | -21.4 | -179.8 | 64.2 | -78.6 | 0 | 0 | 0 | 113.8 | R498 K546 | R498-D500 WeakPolarHBondContact CB-OD1 3.37Å; R498-D500 IonicContact CZ-OD1 3.47Å; R498-D500 IonicContact CZ-OD2 3.83Å; R498-D500 IonicContact NE-OD1 2.72Å; R498-D500 PolarHBondContact NE-OD1 3.03Å; R498-D500 IonicContact NE-OD2 3.66Å; R498-D500 PolarHBondContact NE-OD2 3.44Å; R498-D500 IonicContact NH2-OD1 3.62Å; R498-D500 IonicContact NH2-OD2 3.01Å; R498-D500 PolarHBondContact NH2-OD2 2.71Å; R498-D500 PolarHBondContact O-N 3.33Å; D500-K546 VanDerWaalsContact O-CD 3.24Å; D500-K546 WeakPolarHBondContact O-CD 3.37Å; D500-K546 PolarHBondContact O-NZ 3.11Å |
| 501 | Q | 96.5 | Very high | 95.5 | Very high | 11 Ų | 11 | 32 Ų | 32 | 5% | 0.051 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -82.7 | -14.9 | 179.4 | -66.2 | -176.4 | -69.9 | 0 | 0 | 113.2 | R498 P499 D547 F548 | R498-Q501 HydrophobicContact CB-CG 4.15Å; R498-Q501 VanDerWaalsContact NH2-CD 3.35Å; R498-Q501 VanDerWaalsContact O-CB 3.28Å; R498-Q501 WeakPolarHBondContact O-CB 3.43Å; R498-Q501 PolarHBondContact O-N 3.15Å; P499-Q501 PolarHBondContact O-N 3.01Å; P499-Q501 VanDerWaalsContact O-N 3.15Å; Q501-D547 HydrophobicContact CB-CB 4Å; Q501-D547 HydrophobicContact CG-CB 4.43Å; Q501-D547 WeakPolarHBondContact CG-OD2 3.42Å; Q501-D547 PolarHBondContact NE2-OD2 3.16Å; Q501-D547 PolarHBondContact O-N 2.94Å; Q501-F548 PolarHBondContact O-N 3.47Å |
| 502 | I | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 128.8 | -175.4 | -54 | 172.2 | 0 | 0 | 0 | 109.2 | F492 L493 A497 P499 I533 L550 | F492-I502 HydrophobicContact CB-CD1 3.75Å; F492-I502 HydrophobicContact CD2-CD1 4.39Å; F492-I502 HydrophobicContact CD2-CG1 4.44Å; L493-I502 HydrophobicContact CD2-CD1 3.95Å; L493-I502 HydrophobicContact CG-CD1 4.13Å; A497-I502 HydrophobicContact CB-CD1 4.19Å; A497-I502 HydrophobicContact CB-CG1 4.34Å; P499-I502 PolarHBondContact O-N 2.85Å; P499-I502 VanDerWaalsContact O-N 3.09Å; I502-I533 HydrophobicContact CB-CG1 4.47Å; I502-I533 HydrophobicContact CB-CG2 4.21Å; I502-I533 HydrophobicContact CD1-CD1 4.23Å; I502-I533 HydrophobicContact CG2-CG2 4Å; I502-L550 HydrophobicContact CG2-CD1 4.37Å |
| 503 | G | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 135.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | F548 I549 L550 | G503-F548 PolarHBondContact N-O 3.47Å; G503-I549 CarbonylContact O-C 3.54Å; G503-I549 VanDerWaalsContact O-CA 3.29Å; G503-I549 WeakPolarHBondContact O-CA 3.47Å; G503-L550 PolarHBondContact O-N 2.93Å |
| 504 | I | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 120.8 | 173 | -58.9 | 169.6 | 0 | 0 | 0 | 108.2 | I485 I515 M519 I533 E534 V535 A536 L550 | I485-I504 HydrophobicContact CG2-CD1 3.6Å; I485-I504 HydrophobicContact CG2-CG1 4.06Å; I485-I504 HydrophobicContact CG2-CG2 3.77Å; I504-I515 HydrophobicContact CD1-CG2 4.15Å; I504-I515 HydrophobicContact CG2-CD1 4.18Å; I504-I515 HydrophobicContact CG2-CG2 4.41Å; I504-M519 HydrophobicContact CD1-CE 3.92Å; I504-M519 HydrophobicContact CD1-SD 3.82Å; I504-I533 HydrophobicContact CD1-CG2 3.82Å; I504-I533 HydrophobicContact CG1-CG2 4.08Å; I504-E534 PolarHBondContact N-O 3.04Å; I504-V535 HydrophobicContact CB-CB 4.35Å; I504-V535 HydrophobicContact CB-CG1 4Å; I504-V535 HydrophobicContact CB-CG2 4.12Å; I504-V535 HydrophobicContact CD1-CG2 4.03Å; I504-V535 HydrophobicContact CG2-CG1 3.93Å; I504-V535 WeakPolarHBondContact O-CA 3.46Å; I504-A536 PolarHBondContact O-N 2.8Å; I504-L550 CarbonylContact C-O 3.13Å; I504-L550 VanDerWaalsContact CA-O 3.31Å; I504-L550 WeakPolarHBondContact CA-O 3.48Å; I504-L550 HydrophobicContact CG1-CB 4.19Å; I504-L550 HydrophobicContact CG1-CD1 4.2Å |
| 505 | I | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 131.9 | 179.2 | -57.6 | -176.6 | 0 | 0 | 0 | 108.8 | A536 V538 F541 I549 L550 L551 S552 R577 | I505-A536 WeakPolarHBondContact CA-O 3.47Å; I505-V538 HydrophobicContact CG2-CB 4.3Å; I505-V538 HydrophobicContact CG2-CG2 3.55Å; I505-F541 HydrophobicContact CD1-CB 4.09Å; I505-F541 HydrophobicContact CD1-CD1 4.26Å; I505-F541 HydrophobicContact CD1-CD2 4.12Å; I505-F541 HydrophobicContact CD1-CG 3.9Å; I505-F541 HydrophobicContact CG1-CD1 4.39Å; I505-F541 HydrophobicContact CG1-CD2 3.63Å; I505-F541 HydrophobicContact CG1-CE2 3.82Å; I505-F541 HydrophobicContact CG1-CG 3.93Å; I505-F541 HydrophobicContact CG1-CZ 4.29Å; I505-I549 HydrophobicContact CD1-CD1 4.13Å; I505-I549 HydrophobicContact CD1-CG2 3.72Å; I505-I549 HydrophobicContact CG1-CD1 4.43Å; I505-I549 HydrophobicContact CG1-CG2 3.97Å; I505-L550 PolarHBondContact N-O 3.18Å; I505-L551 HydrophobicContact CB-CD1 3.92Å; I505-L551 HydrophobicContact CG2-CD1 3.78Å; I505-L551 WeakPolarHBondContact O-CA 3.46Å; I505-S552 PolarHBondContact O-N 2.86Å; I505-R577 HydrophobicContact CD1-CB 3.98Å; I505-R577 HydrophobicContact CD1-CG 3.63Å |
| 506 | T | 97.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | trans | -147.1 | 137.9 | 170.2 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | Y508 Q511 R512 A536 S537 | T506-Y508 VanDerWaalsContact C-N 3.26Å; T506-Y508 PolarHBondContact O-N 3.05Å; T506-Q511 HydrophobicContact CG2-CB 4.2Å; T506-Q511 HydrophobicContact CG2-CG 4.17Å; T506-Q511 WeakPolarHBondContact OG1-CB 3.38Å; T506-Q511 WeakPolarHBondContact OG1-CG 3.26Å; T506-R512 HydrophobicContact CG2-CB 3.78Å; T506-R512 HydrophobicContact CG2-CG 4.45Å; T506-A536 PolarHBondContact N-O 3.32Å; T506-A536 VanDerWaalsContact N-O 3.15Å; T506-S537 WeakPolarHBondContact O-CA 3.48Å | ||
| 507 | P | 93.5 | Very high | 94.5 | Very high | 19 Ų | 19 | 30.3 Ų | 30.3 | 12% | 0.123 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -75.4 | -10.8 | -176.4 | 29.2 | -33.8 | 0 | 0 | 0 | 114.1 | S552 F564 L565 | P507-S552 WeakPolarHBondContact CD-O 3.02Å; P507-F564 HydrophobicContact CB-CB 4.08Å; P507-L565 HydrophobicContact CB-CD2 4.49Å; P507-L565 HydrophobicContact CG-CD2 3.8Å; P507-L565 HydrophobicContact CG-CG 4.02Å |
| 508 | Y | 92.8 | Very high | 94.5 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | trans | -115.3 | 128.2 | -175.2 | -61.8 | -81 | 0 | 0 | 0 | 111.9 | Y476 T506 G510 Q511 R512 V554 R555 I562 F564 | Y476-Y508 AromaticContact CD2-CD1 3.9Å; Y476-Y508 HydrophobicContact CD2-CD1 3.9Å; Y476-Y508 AromaticContact CD2-CE1 3.65Å; Y476-Y508 HydrophobicContact CD2-CE1 3.65Å; Y476-Y508 HydrophobicContact CE2-CE1 4.47Å; Y476-Y508 HydrophobicContact CG-CE1 4.49Å; Y476-Y508 VanDerWaalsContact O-CB 3.26Å; Y476-Y508 WeakPolarHBondContact O-CB 3.44Å; T506-Y508 VanDerWaalsContact C-N 3.26Å; T506-Y508 PolarHBondContact O-N 3.05Å; Y508-G510 VanDerWaalsContact C-N 3.29Å; Y508-G510 PolarHBondContact O-N 2.81Å; Y508-Q511 WeakPolarHBondContact O-CB 3.32Å; Y508-Q511 PolarHBondContact O-N 3.35Å; Y508-Q511 VanDerWaalsContact O-N 3.12Å; Y508-R512 PolarHBondContact O-N 3.37Å; Y508-V554 HydrophobicContact CD2-CB 3.67Å; Y508-V554 HydrophobicContact CD2-CG1 3.97Å; Y508-V554 HydrophobicContact CD2-CG2 3.78Å; Y508-V554 HydrophobicContact CE2-CB 4.08Å; Y508-R555 HydrophobicContact CE2-CG 3.78Å; Y508-R555 VanDerWaalsContact OH-CD 3.25Å; Y508-R555 WeakPolarHBondContact OH-CD 3.24Å; Y508-R555 WeakPolarHBondContact OH-CG 3.32Å; Y508-I562 PolarHBondContact OH-O 3.19Å; Y508-F564 AromaticContact CD1-CD2 3.9Å; Y508-F564 HydrophobicContact CD1-CD2 3.9Å; Y508-F564 HydrophobicContact CD1-CE2 4.04Å; Y508-F564 AromaticContact CE1-CD2 3.41Å; Y508-F564 HydrophobicContact CE1-CD2 3.41Å; Y508-F564 VanDerWaalsContact CE1-CD2 3.41Å; Y508-F564 AromaticContact CE1-CE2 3.75Å; Y508-F564 HydrophobicContact CE1-CE2 3.75Å; Y508-F564 AromaticContact CZ-CD2 3.87Å | ||
| 509 | E | 88.9 | Confident | 94.5 | Very high | 66 Ų | 66 | 27.8 Ų | 27.8 | 31% | 0.308 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -59.8 | -38.9 | 178.2 | -175.1 | 53.5 | -146.6 | 0 | 0 | 112.4 | S475 Q511 R512 A513 | S475-E509 PolarHBondContact OG-N 3.1Å; E509-Q511 VanDerWaalsContact C-N 3.32Å; E509-Q511 PolarHBondContact O-N 2.73Å; E509-R512 WeakPolarHBondContact O-CB 3.26Å; E509-R512 PolarHBondContact O-N 2.84Å; E509-R512 VanDerWaalsContact O-N 3.17Å; E509-R512 IonicContact OE1-CZ 2.69Å; E509-R512 IonicContact OE1-NE 3.7Å; E509-R512 PolarHBondContact OE1-NE 3.07Å; E509-R512 IonicContact OE1-NH2 2.91Å; E509-R512 PolarHBondContact OE1-NH2 3.38Å; E509-R512 IonicContact OE2-CZ 3.75Å; E509-R512 IonicContact OE2-NE 3.76Å; E509-R512 PolarHBondContact OE2-NE 3.36Å; E509-A513 PolarHBondContact O-N 2.98Å |
| 510 | G | 90.4 | Very high | 94.1 | Very high | 10 Ų | 10 | 29.4 Ų | 29.4 | 10% | 0.103 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59 | -42.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S475 Y508 F514 | S475-G510 PolarHBondContact OG-N 3.19Å; Y508-G510 VanDerWaalsContact C-N 3.29Å; Y508-G510 PolarHBondContact O-N 2.81Å; G510-F514 VanDerWaalsContact O-CB 3.24Å; G510-F514 WeakPolarHBondContact O-CB 3.43Å; G510-F514 PolarHBondContact O-N 2.86Å |
| 511 | Q | 95.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.2 | -40.9 | 174.8 | -174.3 | 74.7 | -21.1 | 0 | 0 | 111.9 | Y476 L477 N478 T506 Y508 E509 F514 I515 S552 V554 | Y476-Q511 PolarHBondContact O-N 3.09Å; Y476-Q511 VanDerWaalsContact O-N 3.15Å; L477-Q511 VanDerWaalsContact CA-OE1 3.29Å; N478-Q511 PolarHBondContact O-NE2 3.01Å; N478-Q511 VanDerWaalsContact O-NE2 3.08Å; N478-Q511 PolarHBondContact O-OE1 3.31Å; T506-Q511 HydrophobicContact CG2-CB 4.2Å; T506-Q511 HydrophobicContact CG2-CG 4.17Å; T506-Q511 WeakPolarHBondContact OG1-CB 3.38Å; T506-Q511 WeakPolarHBondContact OG1-CG 3.26Å; Y508-Q511 WeakPolarHBondContact O-CB 3.32Å; Y508-Q511 PolarHBondContact O-N 3.35Å; Y508-Q511 VanDerWaalsContact O-N 3.12Å; E509-Q511 VanDerWaalsContact C-N 3.32Å; E509-Q511 PolarHBondContact O-N 2.73Å; Q511-F514 PolarHBondContact O-N 3.24Å; Q511-I515 HydrophobicContact CG-CD1 3.7Å; Q511-I515 HydrophobicContact CG-CG1 4.23Å; Q511-I515 WeakPolarHBondContact O-CB 3.41Å; Q511-I515 VanDerWaalsContact O-CG1 3.29Å; Q511-I515 WeakPolarHBondContact O-CG1 3.17Å; Q511-I515 PolarHBondContact O-N 3.43Å; Q511-S552 PolarHBondContact NE2-OG 2.68Å; Q511-V554 HydrophobicContact CB-CG2 3.62Å; Q511-V554 HydrophobicContact CG-CG2 3.42Å; Q511-V554 VanDerWaalsContact CG-CG2 3.42Å |
| 512 | R | 94.1 | Very high | 93.7 | Very high | 68 Ų | 68 | 34.2 Ų | 34.2 | 26% | 0.257 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57.5 | -54.3 | 177.9 | -171.3 | -162.3 | 70.3 | 77.5 | 0.5 | 110.7 | T506 Y508 E509 F514 I515 V516 V535 | T506-R512 HydrophobicContact CG2-CB 3.78Å; T506-R512 HydrophobicContact CG2-CG 4.45Å; Y508-R512 PolarHBondContact O-N 3.37Å; E509-R512 WeakPolarHBondContact O-CB 3.26Å; E509-R512 PolarHBondContact O-N 2.84Å; E509-R512 VanDerWaalsContact O-N 3.17Å; E509-R512 IonicContact OE1-CZ 2.69Å; E509-R512 IonicContact OE1-NE 3.7Å; E509-R512 PolarHBondContact OE1-NE 3.07Å; E509-R512 IonicContact OE1-NH2 2.91Å; E509-R512 PolarHBondContact OE1-NH2 3.38Å; E509-R512 IonicContact OE2-CZ 3.75Å; E509-R512 IonicContact OE2-NE 3.76Å; E509-R512 PolarHBondContact OE2-NE 3.36Å; R512-F514 VanDerWaalsContact C-N 3.33Å; R512-F514 PolarHBondContact O-N 3.33Å; R512-I515 PolarHBondContact O-N 2.83Å; R512-V516 WeakPolarHBondContact O-CG2 3.49Å; R512-V516 PolarHBondContact O-N 3.07Å; R512-V516 VanDerWaalsContact O-N 3.12Å; R512-V535 WeakPolarHBondContact CD-O 3.42Å; R512-V535 HydrophobicContact CG-CB 4.27Å; R512-V535 HydrophobicContact CG-CG1 3.76Å; R512-V535 WeakPolarHBondContact CG-O 3.44Å |
| 513 | A | 89.4 | Confident | 93.2 | Very high | 46 Ų | 46 | 35.1 Ų | 35.1 | 38% | 0.38 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.6 | -44.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E509 V516 Q517 | E509-A513 PolarHBondContact O-N 2.98Å; A513-V516 PolarHBondContact O-N 2.94Å; A513-Q517 WeakPolarHBondContact O-CB 3.48Å; A513-Q517 PolarHBondContact O-N 3.5Å |
| 514 | F | 93.3 | Very high | 92.9 | Very high | 28 Ų | 28 | 39.9 Ų | 39.9 | 12% | 0.123 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.2 | -42.7 | 179.2 | -173.9 | -103.3 | 0 | 0 | 0 | 112.8 | L477 R479 A482 G510 Q511 R512 Q517 Y518 | L477-F514 HydrophobicContact CD2-CB 4.45Å; R479-F514 HydrophobicContact CB-CE1 4.12Å; R479-F514 HydrophobicContact CB-CZ 4.3Å; R479-F514 HydrophobicContact CG-CE1 3.96Å; R479-F514 HydrophobicContact CG-CZ 3.87Å; R479-F514 VanDerWaalsContact NH1-CE2 3.34Å; A482-F514 HydrophobicContact CB-CD1 3.47Å; A482-F514 VanDerWaalsContact CB-CD1 3.47Å; A482-F514 HydrophobicContact CB-CE1 3.57Å; G510-F514 VanDerWaalsContact O-CB 3.24Å; G510-F514 WeakPolarHBondContact O-CB 3.43Å; G510-F514 PolarHBondContact O-N 2.86Å; Q511-F514 PolarHBondContact O-N 3.24Å; R512-F514 VanDerWaalsContact C-N 3.33Å; R512-F514 PolarHBondContact O-N 3.33Å; F514-Q517 PolarHBondContact O-N 3.32Å; F514-Y518 HydrophobicContact CE1-CD2 4.02Å; F514-Y518 HydrophobicContact CE1-CG 4.4Å; F514-Y518 AromaticContact CZ-CD2 3.81Å; F514-Y518 HydrophobicContact CZ-CD2 3.81Å; F514-Y518 WeakPolarHBondContact O-CB 3.39Å; F514-Y518 PolarHBondContact O-N 3.49Å |
| 515 | I | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -46.8 | 176.9 | -73.2 | 169.1 | 0 | 0 | 0 | 110.7 | A482 I485 I504 Q511 R512 Q517 Y518 M519 V535 | A482-I515 HydrophobicContact CB-CG1 3.7Å; I485-I515 HydrophobicContact CB-CD1 4.49Å; I485-I515 HydrophobicContact CG1-CD1 4.38Å; I485-I515 HydrophobicContact CG2-CD1 4.29Å; I485-I515 HydrophobicContact CG2-CG2 4.05Å; I504-I515 HydrophobicContact CD1-CG2 4.15Å; I504-I515 HydrophobicContact CG2-CD1 4.18Å; I504-I515 HydrophobicContact CG2-CG2 4.41Å; Q511-I515 HydrophobicContact CG-CD1 3.7Å; Q511-I515 HydrophobicContact CG-CG1 4.23Å; Q511-I515 WeakPolarHBondContact O-CB 3.41Å; Q511-I515 VanDerWaalsContact O-CG1 3.29Å; Q511-I515 WeakPolarHBondContact O-CG1 3.17Å; Q511-I515 PolarHBondContact O-N 3.43Å; R512-I515 PolarHBondContact O-N 2.83Å; I515-Q517 VanDerWaalsContact C-N 3.33Å; I515-Q517 PolarHBondContact O-N 3.11Å; I515-Y518 PolarHBondContact O-N 3.47Å; I515-M519 HydrophobicContact CG2-CE 3.9Å; I515-M519 HydrophobicContact CG2-CG 4.4Å; I515-M519 HydrophobicContact CG2-SD 4.26Å; I515-M519 WeakPolarHBondContact O-CG 3.36Å; I515-M519 PolarHBondContact O-N 2.96Å; I515-V535 HydrophobicContact CB-CG1 4.41Å; I515-V535 HydrophobicContact CG2-CG1 4.17Å; I515-V535 HydrophobicContact CG2-CG2 4.41Å |
| 516 | V | 91.7 | Very high | 92.1 | Very high | 42 Ų | 42 | 47.4 Ų | 47.4 | 26% | 0.255 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 177.8 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | R512 A513 Q520 V535 | R512-V516 WeakPolarHBondContact O-CG2 3.49Å; R512-V516 PolarHBondContact O-N 3.07Å; R512-V516 VanDerWaalsContact O-N 3.12Å; A513-V516 PolarHBondContact O-N 2.94Å; V516-Q520 WeakPolarHBondContact O-CG 3.43Å; V516-Q520 PolarHBondContact O-N 2.94Å; V516-V535 HydrophobicContact CG2-CB 3.73Å; V516-V535 HydrophobicContact CG2-CG1 4.21Å; V516-V535 HydrophobicContact CG2-CG2 3.7Å |
| 517 | Q | 90.7 | Very high | 91.7 | Very high | 109 Ų | 109 | 52.7 Ų | 52.7 | 51% | 0.509 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.3 | -49.2 | 177.4 | -170.6 | -179.9 | 15.3 | 0 | 0 | 111.1 | A513 F514 I515 M519 Q520 F521 | A513-Q517 WeakPolarHBondContact O-CB 3.48Å; A513-Q517 PolarHBondContact O-N 3.5Å; F514-Q517 PolarHBondContact O-N 3.32Å; I515-Q517 VanDerWaalsContact C-N 3.33Å; I515-Q517 PolarHBondContact O-N 3.11Å; Q517-M519 PolarHBondContact O-N 3.41Å; Q517-Q520 WeakPolarHBondContact O-CB 3.34Å; Q517-Q520 PolarHBondContact O-N 2.88Å; Q517-Q520 VanDerWaalsContact O-N 3.1Å; Q517-F521 HydrophobicContact CG-CD2 3.67Å; Q517-F521 HydrophobicContact CG-CE2 3.66Å; Q517-F521 WeakPolarHBondContact O-CD2 3.46Å; Q517-F521 PolarHBondContact O-N 3.46Å |
| 518 | Y | 94.5 | Very high | 91.5 | Very high | 74 Ų | 74 | 58 Ų | 58 | 29% | 0.29 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.9 | -45.2 | -176.4 | -168.8 | -89.5 | 0 | 0 | 0 | 111.9 | A483 E486 F514 I515 Q520 F521 A522 | A483-Y518 HydrophobicContact CB-CE1 3.93Å; E486-Y518 HydrophobicContact CB-CD1 3.82Å; E486-Y518 HydrophobicContact CB-CE1 4Å; E486-Y518 HydrophobicContact CG-CD1 4.05Å; E486-Y518 HydrophobicContact CG-CE1 4.16Å; F514-Y518 HydrophobicContact CE1-CD2 4.02Å; F514-Y518 HydrophobicContact CE1-CG 4.4Å; F514-Y518 AromaticContact CZ-CD2 3.81Å; F514-Y518 HydrophobicContact CZ-CD2 3.81Å; F514-Y518 WeakPolarHBondContact O-CB 3.39Å; F514-Y518 PolarHBondContact O-N 3.49Å; I515-Y518 PolarHBondContact O-N 3.47Å; Y518-Q520 VanDerWaalsContact C-N 3.27Å; Y518-Q520 PolarHBondContact O-N 3.48Å; Y518-F521 PolarHBondContact O-N 3.23Å; Y518-A522 HydrophobicContact CD1-CB 3.91Å; Y518-A522 HydrophobicContact CD2-CB 4.36Å; Y518-A522 HydrophobicContact CE1-CB 3.56Å; Y518-A522 HydrophobicContact CE2-CB 4.05Å; Y518-A522 HydrophobicContact CG-CB 4.3Å; Y518-A522 WeakPolarHBondContact O-CB 3.41Å; Y518-A522 PolarHBondContact O-N 2.85Å |
| 519 | M | 94.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.015 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.4 | -35.3 | 176.7 | -70.7 | -169.6 | -58.4 | 0 | 0 | 112.6 | E486 A489 I504 I515 Q517 G523 Y530 V535 | E486-M519 HydrophobicContact CB-CG 3.95Å; E486-M519 HydrophobicContact CG-CG 3.93Å; A489-M519 HydrophobicContact CB-SD 4.14Å; I504-M519 HydrophobicContact CD1-CE 3.92Å; I504-M519 HydrophobicContact CD1-SD 3.82Å; I515-M519 HydrophobicContact CG2-CE 3.9Å; I515-M519 HydrophobicContact CG2-CG 4.4Å; I515-M519 HydrophobicContact CG2-SD 4.26Å; I515-M519 WeakPolarHBondContact O-CG 3.36Å; I515-M519 PolarHBondContact O-N 2.96Å; Q517-M519 PolarHBondContact O-N 3.41Å; M519-G523 WeakPolarHBondContact O-CA 3.32Å; M519-G523 PolarHBondContact O-N 2.92Å; M519-G523 VanDerWaalsContact O-N 3.15Å; M519-Y530 HydrophobicContact CB-CD1 3.79Å; M519-Y530 HydrophobicContact CB-CE1 4.44Å; M519-Y530 HydrophobicContact CB-CG 3.91Å; M519-Y530 HydrophobicContact CG-CD1 4.14Å; M519-Y530 WeakPolarHBondContact O-CD2 3.31Å; M519-Y530 HydrophobicContact SD-CD1 3.94Å; M519-V535 HydrophobicContact CE-CG2 3.81Å |
| 520 | Q | 88.8 | Confident | 91.5 | Very high | 53 Ų | 53 | 58 Ų | 58 | 25% | 0.248 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.5 | -29.7 | 178.6 | -68.9 | 177.3 | 34.2 | 0 | 0 | 114 | V516 Q517 Y518 K527 L531 | V516-Q520 WeakPolarHBondContact O-CG 3.43Å; V516-Q520 PolarHBondContact O-N 2.94Å; Q517-Q520 WeakPolarHBondContact O-CB 3.34Å; Q517-Q520 PolarHBondContact O-N 2.88Å; Q517-Q520 VanDerWaalsContact O-N 3.1Å; Y518-Q520 VanDerWaalsContact C-N 3.27Å; Y518-Q520 PolarHBondContact O-N 3.48Å; Q520-K527 WeakPolarHBondContact O-CD 3.08Å; Q520-K527 WeakPolarHBondContact O-CE 3.38Å; Q520-L531 HydrophobicContact CG-CD2 4.26Å; Q520-L531 VanDerWaalsContact NE2-CD2 3.25Å |
| 521 | F | 90.2 | Very high | 91.4 | Very high | 146 Ų | 146 | 60.2 Ų | 60.2 | 64% | 0.64 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -101.4 | -35.9 | -175.5 | -72.2 | -73.4 | 0 | 0 | 0 | 113.8 | Q517 Y518 | Q517-F521 HydrophobicContact CG-CD2 3.67Å; Q517-F521 HydrophobicContact CG-CE2 3.66Å; Q517-F521 WeakPolarHBondContact O-CD2 3.46Å; Q517-F521 PolarHBondContact O-N 3.46Å; Y518-F521 PolarHBondContact O-N 3.23Å |
| 522 | A | 91.8 | Very high | 91.2 | Very high | 45 Ų | 45 | 64.6 Ų | 64.6 | 37% | 0.372 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -102.9 | -16.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y518 | Y518-A522 HydrophobicContact CD1-CB 3.91Å; Y518-A522 HydrophobicContact CD2-CB 4.36Å; Y518-A522 HydrophobicContact CE1-CB 3.56Å; Y518-A522 HydrophobicContact CE2-CB 4.05Å; Y518-A522 HydrophobicContact CG-CB 4.3Å; Y518-A522 WeakPolarHBondContact O-CB 3.41Å; Y518-A522 PolarHBondContact O-N 2.85Å |
| 523 | G | 88.3 | Confident | 91.2 | Very high | 19 Ų | 19 | 61.8 Ų | 61.8 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | trans | -61.7 | 139.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M519 Y530 | M519-G523 WeakPolarHBondContact O-CA 3.32Å; M519-G523 PolarHBondContact O-N 2.92Å; M519-G523 VanDerWaalsContact O-N 3.15Å; G523-Y530 WeakPolarHBondContact CA-OH 3.49Å | ||
| 524 | T | 91.7 | Very high | 91.4 | Very high | 101 Ų | 101 | 61.7 Ų | 61.7 | 62% | 0.62 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -84.1 | -12.1 | -178.4 | 59.2 | 0 | 0 | 0 | 0 | 114 | K494 Y530 | K494-T524 PolarHBondContact NZ-OG1 3.3Å; T524-Y530 PolarHBondContact N-OH 3.02Å |
| 525 | L | 92.7 | Very high | 91.5 | Very high | 45 Ų | 45 | 61 Ų | 61 | 24% | 0.236 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -96.8 | 174.4 | -179.4 | -59.4 | 170.5 | 0 | 0 | 0 | 111.7 | T490 L493 K494 K527 L529 Y530 | T490-L525 HydrophobicContact CG2-CD1 4.18Å; T490-L525 HydrophobicContact CG2-CG 4.32Å; L493-L525 HydrophobicContact CB-CD1 3.58Å; L493-L525 HydrophobicContact CD1-CD1 3.72Å; L493-L525 HydrophobicContact CG-CD1 4.34Å; K494-L525 HydrophobicContact CG-CD1 4.31Å; K494-L525 HydrophobicContact CG-CD2 4.17Å; L525-K527 PolarHBondContact O-N 3Å; L525-L529 HydrophobicContact CB-CD1 4.28Å; L525-Y530 HydrophobicContact CB-CE2 3.81Å; L525-Y530 PolarHBondContact N-OH 3.23Å |
| 526 | N | 88.6 | Confident | 91.4 | Very high | 113 Ų | 113 | 61.6 Ų | 61.6 | 60% | 0.604 | 32% | 0.316 | S | S | * | . | trans | -56.4 | 127.2 | 174.4 | -174.4 | -33.3 | 0 | 0 | 0 | 110.4 | K528 L529 | N526-K528 PolarHBondContact O-N 3.01Å; N526-K528 WeakPolarHBondContact OD1-CB 3.24Å; N526-K528 PolarHBondContact OD1-N 3.4Å; N526-L529 HydrophobicContact CB-CD1 4.36Å; N526-L529 HydrophobicContact CB-CG 4.44Å; N526-L529 WeakPolarHBondContact O-CB 3.35Å; N526-L529 PolarHBondContact O-N 3.25Å | ||
| 527 | K | 88.2 | Confident | 91.4 | Very high | 112 Ų | 112 | 61.2 Ų | 61.2 | 49% | 0.487 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -49.6 | -35.3 | -179.9 | -61 | -170.7 | -177.2 | -168.8 | 0 | 113.4 | Q520 L525 L529 Y530 L531 | Q520-K527 WeakPolarHBondContact O-CD 3.08Å; Q520-K527 WeakPolarHBondContact O-CE 3.38Å; L525-K527 PolarHBondContact O-N 3Å; K527-L529 VanDerWaalsContact C-N 3.28Å; K527-L529 PolarHBondContact O-N 3.48Å; K527-Y530 PolarHBondContact O-N 3.32Å; K527-L531 PolarHBondContact O-N 2.73Å; K527-L531 VanDerWaalsContact O-N 3.14Å |
| 528 | K | 88.5 | Confident | 91.5 | Very high | 131 Ų | 131 | 56.2 Ų | 56.2 | 57% | 0.57 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.3 | -36.6 | 178.8 | -171 | 174.8 | 178.8 | 179.6 | 0 | 112.6 | N526 Y530 L531 D532 | N526-K528 PolarHBondContact O-N 3.01Å; N526-K528 WeakPolarHBondContact OD1-CB 3.24Å; N526-K528 PolarHBondContact OD1-N 3.4Å; K528-Y530 VanDerWaalsContact C-N 3.3Å; K528-Y530 PolarHBondContact O-N 3.45Å; K528-L531 PolarHBondContact O-N 3.26Å; K528-D532 PolarHBondContact O-N 3.08Å |
| 529 | L | 91 | Very high | 91.3 | Very high | 68 Ų | 68 | 55.3 Ų | 55.3 | 36% | 0.356 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.1 | -36.6 | 178.2 | -66.4 | 172.2 | 0 | 0 | 0 | 111.9 | L493 P499 L525 N526 K527 | L493-L529 HydrophobicContact CD1-CB 4.11Å; P499-L529 WeakPolarHBondContact CB-O 3.21Å; P499-L529 HydrophobicContact CG-CB 4.29Å; P499-L529 HydrophobicContact CG-CD2 3.89Å; P499-L529 WeakPolarHBondContact CG-O 3.22Å; L525-L529 HydrophobicContact CB-CD1 4.28Å; N526-L529 HydrophobicContact CB-CD1 4.36Å; N526-L529 HydrophobicContact CB-CG 4.44Å; N526-L529 WeakPolarHBondContact O-CB 3.35Å; N526-L529 PolarHBondContact O-N 3.25Å; K527-L529 VanDerWaalsContact C-N 3.28Å; K527-L529 PolarHBondContact O-N 3.48Å |
| 530 | Y | 92.6 | Very high | 91 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 2% | 0.02 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -74.2 | -32.6 | 176.5 | -61.1 | -73.6 | 0 | 0 | 0 | 112.7 | T490 L493 M519 G523 T524 L525 K527 K528 D532 I533 | T490-Y530 WeakPolarHBondContact OG1-CE1 3.43Å; T490-Y530 PolarHBondContact OG1-OH 3.05Å; L493-Y530 HydrophobicContact CD1-CD1 4.27Å; L493-Y530 HydrophobicContact CD1-CE1 4.14Å; M519-Y530 HydrophobicContact CB-CD1 3.79Å; M519-Y530 HydrophobicContact CB-CE1 4.44Å; M519-Y530 HydrophobicContact CB-CG 3.91Å; M519-Y530 HydrophobicContact CG-CD1 4.14Å; M519-Y530 WeakPolarHBondContact O-CD2 3.31Å; M519-Y530 HydrophobicContact SD-CD1 3.94Å; G523-Y530 WeakPolarHBondContact CA-OH 3.49Å; T524-Y530 PolarHBondContact N-OH 3.02Å; L525-Y530 HydrophobicContact CB-CE2 3.81Å; L525-Y530 PolarHBondContact N-OH 3.23Å; K527-Y530 PolarHBondContact O-N 3.32Å; K528-Y530 VanDerWaalsContact C-N 3.3Å; K528-Y530 PolarHBondContact O-N 3.45Å; Y530-D532 PolarHBondContact O-N 3.42Å; Y530-I533 HydrophobicContact CD1-CD1 4.35Å; Y530-I533 WeakPolarHBondContact O-CB 3.37Å; Y530-I533 PolarHBondContact O-N 3.12Å; Y530-I533 VanDerWaalsContact O-N 3.15Å |
| 531 | L | 88.2 | Confident | 91.1 | Very high | 56 Ų | 56 | 54 Ų | 54 | 29% | 0.293 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.2 | -31.2 | 177.4 | -73.4 | 173.3 | 0 | 0 | 0 | 112.5 | Q520 K527 K528 I533 | Q520-L531 HydrophobicContact CG-CD2 4.26Å; Q520-L531 VanDerWaalsContact NE2-CD2 3.25Å; K527-L531 PolarHBondContact O-N 2.73Å; K527-L531 VanDerWaalsContact O-N 3.14Å; K528-L531 PolarHBondContact O-N 3.26Å; L531-I533 VanDerWaalsContact C-N 3.28Å |
| 532 | D | 90.5 | Very high | 90.9 | Very high | 92 Ų | 92 | 48.4 Ų | 48.4 | 49% | 0.492 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -4.5 | 178.7 | -65.2 | -22.9 | 0 | 0 | 0 | 112.8 | P499 K528 Y530 | P499-D532 HydrophobicContact CB-CB 3.48Å; P499-D532 VanDerWaalsContact CB-CB 3.48Å; P499-D532 HydrophobicContact CG-CB 4.16Å; K528-D532 PolarHBondContact O-N 3.08Å; Y530-D532 PolarHBondContact O-N 3.42Å |
| 533 | I | 95.1 | Very high | 90.4 | Very high | 9 Ų | 9 | 48 Ų | 48 | 5% | 0.046 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -82 | 129.6 | 171.6 | -62.6 | 177.8 | 0 | 0 | 0 | 109.4 | A489 L493 P499 I502 I504 Y530 L531 V535 | A489-I533 HydrophobicContact CB-CD1 4.04Å; L493-I533 HydrophobicContact CD1-CD1 4.04Å; L493-I533 HydrophobicContact CD2-CD1 4.49Å; L493-I533 HydrophobicContact CG-CD1 4.38Å; P499-I533 HydrophobicContact CB-CG1 3.99Å; I502-I533 HydrophobicContact CB-CG1 4.47Å; I502-I533 HydrophobicContact CB-CG2 4.21Å; I502-I533 HydrophobicContact CD1-CD1 4.23Å; I502-I533 HydrophobicContact CG2-CG2 4Å; I504-I533 HydrophobicContact CD1-CG2 3.82Å; I504-I533 HydrophobicContact CG1-CG2 4.08Å; Y530-I533 HydrophobicContact CD1-CD1 4.35Å; Y530-I533 WeakPolarHBondContact O-CB 3.37Å; Y530-I533 PolarHBondContact O-N 3.12Å; Y530-I533 VanDerWaalsContact O-N 3.15Å; L531-I533 VanDerWaalsContact C-N 3.28Å; I533-V535 PolarHBondContact O-N 3.43Å |
| 534 | E | 93.9 | Very high | 90.4 | Very high | 45 Ų | 45 | 51.5 Ų | 51.5 | 21% | 0.21 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 119.7 | -179.5 | -171.9 | 175.6 | 175.8 | 0 | 0 | 112 | I504 F541 R544 K546 | I504-E534 PolarHBondContact N-O 3.04Å; E534-F541 HydrophobicContact CB-CZ 4.23Å; E534-F541 HydrophobicContact CG-CE2 4.31Å; E534-F541 HydrophobicContact CG-CZ 3.84Å; E534-R544 IonicContact OE1-CZ 3.64Å; E534-R544 IonicContact OE1-NE 3.29Å; E534-R544 IonicContact OE1-NH1 2.86Å; E534-R544 PolarHBondContact OE1-NH1 3.47Å; E534-R544 IonicContact OE1-NH2 3.51Å; E534-R544 PolarHBondContact OE1-NH2 2.84Å; E534-K546 WeakPolarHBondContact OE2-CE 3.3Å; E534-K546 IonicContact OE2-NZ 3.87Å; E534-K546 PolarHBondContact OE2-NZ 3.49Å |
| 535 | V | 95.4 | Very high | 90.5 | Very high | 14 Ų | 14 | 50.2 Ų | 50.2 | 9% | 0.085 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 113.6 | 175.3 | -165.2 | 0 | 0 | 0 | 0 | 109.7 | I504 R512 I515 V516 M519 I533 | I504-V535 HydrophobicContact CB-CB 4.35Å; I504-V535 HydrophobicContact CB-CG1 4Å; I504-V535 HydrophobicContact CB-CG2 4.12Å; I504-V535 HydrophobicContact CD1-CG2 4.03Å; I504-V535 HydrophobicContact CG2-CG1 3.93Å; I504-V535 WeakPolarHBondContact O-CA 3.46Å; R512-V535 WeakPolarHBondContact CD-O 3.42Å; R512-V535 HydrophobicContact CG-CB 4.27Å; R512-V535 HydrophobicContact CG-CG1 3.76Å; R512-V535 WeakPolarHBondContact CG-O 3.44Å; I515-V535 HydrophobicContact CB-CG1 4.41Å; I515-V535 HydrophobicContact CG2-CG1 4.17Å; I515-V535 HydrophobicContact CG2-CG2 4.41Å; V516-V535 HydrophobicContact CG2-CB 3.73Å; V516-V535 HydrophobicContact CG2-CG1 4.21Å; V516-V535 HydrophobicContact CG2-CG2 3.7Å; M519-V535 HydrophobicContact CE-CG2 3.81Å; I533-V535 PolarHBondContact O-N 3.43Å |
| 536 | A | 92.8 | Very high | 90.8 | Very high | 11 Ų | 11 | 49.9 Ų | 49.9 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 171.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I504 I505 T506 A540 F541 | I504-A536 PolarHBondContact O-N 2.8Å; I505-A536 WeakPolarHBondContact CA-O 3.47Å; T506-A536 PolarHBondContact N-O 3.32Å; T506-A536 VanDerWaalsContact N-O 3.15Å; A536-A540 HydrophobicContact CB-CB 3.84Å; A536-F541 HydrophobicContact CB-CD2 3.75Å; A536-F541 HydrophobicContact CB-CE2 3.58Å |
| 537 | S | 92.6 | Very high | 91.2 | Very high | 34 Ų | 34 | 45.2 Ų | 45.2 | 24% | 0.238 | 23% | 0.233 | C | C | . | . | trans | -72.3 | 161.9 | 173.8 | 68.2 | 0 | 0 | 0 | 0 | 112.4 | T506 D539 A540 F541 | T506-S537 WeakPolarHBondContact O-CA 3.48Å; S537-D539 VanDerWaalsContact C-N 3.27Å; S537-D539 PolarHBondContact O-N 2.87Å; S537-A540 PolarHBondContact O-N 3.26Å; S537-A540 VanDerWaalsContact O-N 3.16Å; S537-A540 PolarHBondContact OG-N 3.14Å; S537-F541 PolarHBondContact O-N 3.29Å; S537-F541 VanDerWaalsContact O-N 3.09Å | ||
| 538 | V | 91.9 | Very high | 91.7 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.03 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -48.4 | 174.1 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | I505 A540 F541 Q542 R570 V573 A574 | I505-V538 HydrophobicContact CG2-CB 4.3Å; I505-V538 HydrophobicContact CG2-CG2 3.55Å; V538-A540 VanDerWaalsContact C-N 3.3Å; V538-A540 PolarHBondContact O-N 2.91Å; V538-F541 PolarHBondContact O-N 3.32Å; V538-Q542 PolarHBondContact O-N 2.91Å; V538-R570 HydrophobicContact CB-CB 4.46Å; V538-R570 HydrophobicContact CB-CG 4.49Å; V538-R570 HydrophobicContact CG1-CB 3.9Å; V538-R570 HydrophobicContact CG1-CG 4.14Å; V538-R570 WeakPolarHBondContact CG1-O 3.48Å; V538-V573 HydrophobicContact CG1-CB 3.84Å; V538-V573 HydrophobicContact CG1-CG1 3.76Å; V538-A574 HydrophobicContact CG1-CB 4.37Å; V538-A574 HydrophobicContact CG2-CB 4.31Å |
| 539 | D | 90.4 | Very high | 92.2 | Very high | 55 Ų | 55 | 33.9 Ų | 33.9 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -40.3 | -179.8 | -54.4 | -130.7 | 0 | 0 | 0 | 111.5 | L378 S537 F541 Q542 R570 | L378-D539 HydrophobicContact CD1-CB 4.03Å; S537-D539 VanDerWaalsContact C-N 3.27Å; S537-D539 PolarHBondContact O-N 2.87Å; D539-F541 VanDerWaalsContact C-N 3.34Å; D539-F541 PolarHBondContact O-N 2.76Å; D539-Q542 WeakPolarHBondContact O-CB 3.37Å; D539-Q542 PolarHBondContact O-N 3.4Å; D539-R570 IonicContact OD1-CZ 2.78Å; D539-R570 IonicContact OD1-NE 3.55Å; D539-R570 PolarHBondContact OD1-NE 3.36Å; D539-R570 IonicContact OD1-NH2 2.87Å; D539-R570 PolarHBondContact OD1-NH2 2.96Å; D539-R570 IonicContact OD2-CZ 2.68Å; D539-R570 IonicContact OD2-NE 3.86Å; D539-R570 PolarHBondContact OD2-NE 2.86Å; D539-R570 IonicContact OD2-NH2 2.68Å |
| 540 | A | 88.7 | Confident | 92.5 | Very high | 29 Ų | 29 | 30.6 Ų | 30.6 | 24% | 0.24 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -34.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A536 S537 V538 Q542 R544 | A536-A540 HydrophobicContact CB-CB 3.84Å; S537-A540 PolarHBondContact O-N 3.26Å; S537-A540 VanDerWaalsContact O-N 3.16Å; S537-A540 PolarHBondContact OG-N 3.14Å; V538-A540 VanDerWaalsContact C-N 3.3Å; V538-A540 PolarHBondContact O-N 2.91Å; A540-Q542 PolarHBondContact O-N 3.39Å; A540-R544 PolarHBondContact O-NE 3.43Å; A540-R544 PolarHBondContact O-NH2 3.39Å |
| 541 | F | 89.8 | Confident | 92.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -3.1 | 179.6 | -95.1 | -86.7 | 0 | 0 | 0 | 114.5 | I505 E534 A536 S537 V538 D539 R544 K546 I549 R577 | I505-F541 HydrophobicContact CD1-CB 4.09Å; I505-F541 HydrophobicContact CD1-CD1 4.26Å; I505-F541 HydrophobicContact CD1-CD2 4.12Å; I505-F541 HydrophobicContact CD1-CG 3.9Å; I505-F541 HydrophobicContact CG1-CD1 4.39Å; I505-F541 HydrophobicContact CG1-CD2 3.63Å; I505-F541 HydrophobicContact CG1-CE2 3.82Å; I505-F541 HydrophobicContact CG1-CG 3.93Å; I505-F541 HydrophobicContact CG1-CZ 4.29Å; E534-F541 HydrophobicContact CB-CZ 4.23Å; E534-F541 HydrophobicContact CG-CE2 4.31Å; E534-F541 HydrophobicContact CG-CZ 3.84Å; A536-F541 HydrophobicContact CB-CD2 3.75Å; A536-F541 HydrophobicContact CB-CE2 3.58Å; S537-F541 PolarHBondContact O-N 3.29Å; S537-F541 VanDerWaalsContact O-N 3.09Å; V538-F541 PolarHBondContact O-N 3.32Å; D539-F541 VanDerWaalsContact C-N 3.34Å; D539-F541 PolarHBondContact O-N 2.76Å; F541-R544 PolarHBondContact O-N 3.1Å; F541-R544 VanDerWaalsContact O-N 3.08Å; F541-K546 HydrophobicContact CE1-CG 3.92Å; F541-I549 HydrophobicContact CE1-CD1 4.19Å; F541-R577 HydrophobicContact CB-CG 4.08Å; F541-R577 HydrophobicContact CD1-CG 4.46Å; F541-R577 VanDerWaalsContact O-CD 3.25Å; F541-R577 WeakPolarHBondContact O-CD 3.46Å |
| 542 | Q | 86.7 | Confident | 93.3 | Very high | 28 Ų | 28 | 27.8 Ų | 27.8 | 13% | 0.131 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 140.7 | 175.3 | -169.9 | 171.8 | 13.7 | 0 | 0 | 111.6 | Q352 L378 V538 D539 A540 R544 | Q352-Q542 VanDerWaalsContact CG-NE2 3.32Å; Q352-Q542 VanDerWaalsContact NE2-CD 3.28Å; L378-Q542 HydrophobicContact CD1-CB 4.29Å; V538-Q542 PolarHBondContact O-N 2.91Å; D539-Q542 WeakPolarHBondContact O-CB 3.37Å; D539-Q542 PolarHBondContact O-N 3.4Å; A540-Q542 PolarHBondContact O-N 3.39Å; Q542-R544 PolarHBondContact O-N 3.13Å |
| 543 | G | 81.6 | Confident | 93.7 | Very high | 35 Ų | 35 | 23.4 Ų | 23.4 | 36% | 0.361 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | -1.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 544 | R | 88.3 | Confident | 93.8 | Very high | 93 Ų | 93 | 23 Ų | 23 | 35% | 0.351 | 13% | 0.126 | S | C | . | . | trans | -114.8 | 162.2 | 178.2 | -57.1 | -173.1 | -70.2 | 158.5 | 17.9 | 109.7 | E534 A540 F541 Q542 R577 | E534-R544 IonicContact OE1-CZ 3.64Å; E534-R544 IonicContact OE1-NE 3.29Å; E534-R544 IonicContact OE1-NH1 2.86Å; E534-R544 PolarHBondContact OE1-NH1 3.47Å; E534-R544 IonicContact OE1-NH2 3.51Å; E534-R544 PolarHBondContact OE1-NH2 2.84Å; A540-R544 PolarHBondContact O-NE 3.43Å; A540-R544 PolarHBondContact O-NH2 3.39Å; F541-R544 PolarHBondContact O-N 3.1Å; F541-R544 VanDerWaalsContact O-N 3.08Å; Q542-R544 PolarHBondContact O-N 3.13Å; R544-R577 VanDerWaalsContact O-CD 3.23Å; R544-R577 WeakPolarHBondContact O-CD 3.2Å; R544-R577 PolarHBondContact O-NH1 3.5Å | ||
| 545 | E | 93.7 | Very high | 94 | Very high | 75 Ų | 75 | 21.1 Ų | 21.1 | 35% | 0.35 | 12% | 0.117 | S | C | . | . | trans | -153.9 | 157.4 | 179.1 | 60.3 | -139.9 | -107.9 | 0 | 0 | 109.5 | R415 R577 | R415-E545 IonicContact CZ-OE1 3.89Å; R415-E545 IonicContact CZ-OE2 3.33Å; R415-E545 IonicContact NE-OE1 3.67Å; R415-E545 PolarHBondContact NE-OE1 3.36Å; R415-E545 IonicContact NE-OE2 2.86Å; R415-E545 PolarHBondContact NE-OE2 2.91Å; R415-E545 IonicContact NH2-OE1 2.86Å; R415-E545 IonicContact NH2-OE2 3.1Å; R415-E545 PolarHBondContact NH2-OE2 3.18Å; E545-R577 VanDerWaalsContact CA-O 3.3Å; E545-R577 WeakPolarHBondContact CA-O 3.31Å; E545-R577 WeakPolarHBondContact CB-O 3.4Å | ||
| 546 | K | 97.5 | Very high | 94 | Very high | 37 Ų | 37 | 20.7 Ų | 20.7 | 16% | 0.161 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 163.5 | 177.8 | -64.8 | -68.6 | -172.4 | 175.9 | 0 | 109.3 | D500 E534 F541 I549 R577 A578 R579 | D500-K546 VanDerWaalsContact O-CD 3.24Å; D500-K546 WeakPolarHBondContact O-CD 3.37Å; D500-K546 PolarHBondContact O-NZ 3.11Å; E534-K546 WeakPolarHBondContact OE2-CE 3.3Å; E534-K546 IonicContact OE2-NZ 3.87Å; E534-K546 PolarHBondContact OE2-NZ 3.49Å; F541-K546 HydrophobicContact CE1-CG 3.92Å; K546-I549 HydrophobicContact CB-CD1 3.73Å; K546-I549 HydrophobicContact CB-CG1 4.45Å; K546-I549 HydrophobicContact CG-CD1 4.08Å; K546-R577 PolarHBondContact N-O 3.47Å; K546-A578 CarbonylContact O-C 3.54Å; K546-R579 PolarHBondContact O-N 2.84Å |
| 547 | D | 97.8 | Very high | 94 | Very high | 16 Ų | 16 | 20.6 Ų | 20.6 | 9% | 0.086 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | -43.6 | 177.6 | -67.8 | -13.6 | 0 | 0 | 0 | 110 | Q501 R579 F580 G581 | Q501-D547 HydrophobicContact CB-CB 4Å; Q501-D547 HydrophobicContact CG-CB 4.43Å; Q501-D547 WeakPolarHBondContact CG-OD2 3.42Å; Q501-D547 PolarHBondContact NE2-OD2 3.16Å; Q501-D547 PolarHBondContact O-N 2.94Å; D547-R579 PolarHBondContact O-N 3.31Å; D547-R579 IonicContact OD1-CZ 3.85Å; D547-R579 IonicContact OD1-NE 3.87Å; D547-R579 IonicContact OD1-NH1 2.9Å; D547-R579 PolarHBondContact OD1-NH1 2.87Å; D547-F580 HydrophobicContact CB-CD2 3.49Å; D547-F580 VanDerWaalsContact CB-CD2 3.49Å; D547-F580 HydrophobicContact CB-CE2 4.04Å; D547-F580 HydrophobicContact CB-CG 4.43Å; D547-F580 WeakPolarHBondContact O-CA 3.29Å; D547-F580 WeakPolarHBondContact O-CB 3.26Å; D547-F580 PolarHBondContact O-N 2.61Å; D547-F580 WeakPolarHBondContact OD1-CE2 3.41Å; D547-G581 PolarHBondContact O-N 2.88Å; D547-G581 VanDerWaalsContact O-N 3.14Å |
| 548 | F | 98.5 | Very high | 93.7 | Very high | 3 Ų | 3 | 24.9 Ų | 24.9 | 1% | 0.013 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 137.1 | 174.5 | -55.7 | -73.3 | 0 | 0 | 0 | 112 | L444 F447 W451 F492 A497 Q501 G503 F580 G581 | L444-F548 HydrophobicContact CB-CZ 4.35Å; L444-F548 HydrophobicContact CD2-CE2 3.72Å; L444-F548 HydrophobicContact CD2-CZ 3.78Å; F447-F548 AromaticContact CD1-CE1 3.95Å; F447-F548 HydrophobicContact CD1-CE1 3.95Å; F447-F548 HydrophobicContact CD1-CE2 4.3Å; F447-F548 AromaticContact CD1-CZ 3.44Å; F447-F548 HydrophobicContact CD1-CZ 3.44Å; F447-F548 VanDerWaalsContact CD1-CZ 3.44Å; F447-F548 HydrophobicContact CD2-CE2 4.39Å; F447-F548 HydrophobicContact CD2-CZ 4.3Å; F447-F548 HydrophobicContact CE1-CD1 4.4Å; F447-F548 AromaticContact CE1-CE1 3.54Å; F447-F548 HydrophobicContact CE1-CE1 3.54Å; F447-F548 HydrophobicContact CE1-CE2 4.12Å; F447-F548 AromaticContact CE1-CZ 3.37Å; F447-F548 HydrophobicContact CE1-CZ 3.37Å; F447-F548 HydrophobicContact CE2-CE2 4.23Å; F447-F548 HydrophobicContact CE2-CZ 4.25Å; F447-F548 HydrophobicContact CG-CE2 4.41Å; F447-F548 AromaticContact CG-CZ 3.91Å; F447-F548 HydrophobicContact CG-CZ 3.91Å; F447-F548 HydrophobicContact CZ-CE1 4.11Å; F447-F548 HydrophobicContact CZ-CE2 4.08Å; F447-F548 AromaticContact CZ-CZ 3.79Å; F447-F548 HydrophobicContact CZ-CZ 3.79Å; W451-F548 HydrophobicContact CZ2-CE1 4.34Å; F492-F548 HydrophobicContact CD2-CB 3.97Å; F492-F548 HydrophobicContact CD2-CD2 4.41Å; F492-F548 HydrophobicContact CD2-CG 4.1Å; F492-F548 HydrophobicContact CE2-CB 3.65Å; F492-F548 HydrophobicContact CE2-CD1 4.1Å; F492-F548 AromaticContact CE2-CG 3.87Å; F492-F548 HydrophobicContact CE2-CG 3.87Å; A497-F548 HydrophobicContact CB-CD2 4.31Å; A497-F548 HydrophobicContact CB-CE2 4.13Å; Q501-F548 PolarHBondContact O-N 3.47Å; G503-F548 PolarHBondContact N-O 3.47Å; F548-F580 HydrophobicContact CD1-CB 4.37Å; F548-F580 HydrophobicContact CE1-CB 3.86Å; F548-F580 HydrophobicContact CZ-CB 4.22Å; F548-G581 WeakPolarHBondContact CA-O 3.24Å |
| 549 | I | 98.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 131.8 | 173.3 | -63.1 | -69.2 | 0 | 0 | 0 | 110.3 | G503 I505 F541 K546 R577 A578 G581 L582 I583 | G503-I549 CarbonylContact O-C 3.54Å; G503-I549 VanDerWaalsContact O-CA 3.29Å; G503-I549 WeakPolarHBondContact O-CA 3.47Å; I505-I549 HydrophobicContact CD1-CD1 4.13Å; I505-I549 HydrophobicContact CD1-CG2 3.72Å; I505-I549 HydrophobicContact CG1-CD1 4.43Å; I505-I549 HydrophobicContact CG1-CG2 3.97Å; F541-I549 HydrophobicContact CE1-CD1 4.19Å; K546-I549 HydrophobicContact CB-CD1 3.73Å; K546-I549 HydrophobicContact CB-CG1 4.45Å; K546-I549 HydrophobicContact CG-CD1 4.08Å; I549-R577 HydrophobicContact CD1-CB 3.78Å; I549-R577 HydrophobicContact CG1-CB 3.76Å; I549-A578 HydrophobicContact CB-CB 3.97Å; I549-A578 HydrophobicContact CG1-CB 3.75Å; I549-G581 PolarHBondContact N-O 3.45Å; I549-L582 HydrophobicContact CB-CD1 3.85Å; I549-L582 HydrophobicContact CG2-CD1 3.68Å; I549-L582 WeakPolarHBondContact O-CA 3.32Å; I549-I583 PolarHBondContact O-N 3.15Å |
| 550 | L | 98.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 116.9 | 168.8 | -50.1 | -179.2 | 0 | 0 | 0 | 108.3 | I485 L488 A489 F492 I502 G503 I504 I505 I583 | I485-L550 HydrophobicContact CD1-CB 3.87Å; I485-L550 HydrophobicContact CG2-CD1 4.39Å; L488-L550 HydrophobicContact CB-CD1 3.72Å; L488-L550 HydrophobicContact CB-CD2 4.12Å; L488-L550 HydrophobicContact CD1-CD2 4.13Å; A489-L550 HydrophobicContact CB-CD1 4.22Å; F492-L550 HydrophobicContact CD2-CD2 4.39Å; F492-L550 HydrophobicContact CE2-CD2 3.68Å; F492-L550 HydrophobicContact CZ-CD2 4.14Å; I502-L550 HydrophobicContact CG2-CD1 4.37Å; G503-L550 PolarHBondContact O-N 2.93Å; I504-L550 CarbonylContact C-O 3.13Å; I504-L550 VanDerWaalsContact CA-O 3.31Å; I504-L550 WeakPolarHBondContact CA-O 3.48Å; I504-L550 HydrophobicContact CG1-CB 4.19Å; I504-L550 HydrophobicContact CG1-CD1 4.2Å; I505-L550 PolarHBondContact N-O 3.18Å; L550-I583 CarbonylContact C-O 3.55Å; L550-I583 WeakPolarHBondContact CA-O 3.38Å; L550-I583 HydrophobicContact CD2-CB 3.92Å; L550-I583 HydrophobicContact CD2-CD1 4.09Å; L550-I583 HydrophobicContact CD2-CG1 4.29Å |
| 551 | L | 98.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 118.4 | -179.1 | 176.1 | 60.8 | 0 | 0 | 0 | 110 | I505 A574 I583 I584 V585 W597 | I505-L551 HydrophobicContact CB-CD1 3.92Å; I505-L551 HydrophobicContact CG2-CD1 3.78Å; I505-L551 WeakPolarHBondContact O-CA 3.46Å; L551-A574 HydrophobicContact CD1-CB 4.31Å; L551-A574 HydrophobicContact CD2-CB 4.1Å; L551-I583 PolarHBondContact N-O 3.37Å; L551-I584 HydrophobicContact CB-CG1 4.29Å; L551-I584 HydrophobicContact CB-CG2 4.4Å; L551-I584 HydrophobicContact CD2-CD1 4.33Å; L551-I584 HydrophobicContact CD2-CG1 4.13Å; L551-I584 HydrophobicContact CD2-CG2 4.03Å; L551-I584 HydrophobicContact CG-CG2 4.25Å; L551-I584 CarbonylContact O-C 3.51Å; L551-V585 PolarHBondContact O-N 2.92Å; L551-W597 HydrophobicContact CD2-CH2 4.3Å |
| 552 | S | 98.7 | Very high | 93 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 123.4 | 170.9 | 174.6 | 0 | 0 | 0 | 0 | 110.1 | E481 I505 P507 Q511 | E481-S552 PolarHBondContact OE2-OG 2.68Å; I505-S552 PolarHBondContact O-N 2.86Å; P507-S552 WeakPolarHBondContact CD-O 3.02Å; Q511-S552 PolarHBondContact NE2-OG 2.68Å |
| 553 | C | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -86.2 | -28.3 | -176.9 | -68.5 | 0 | 0 | 0 | 0 | 113.3 | E481 R555 L565 V585 L591 | E481-C553 PolarHBondContact OE2-N 3.22Å; E481-C553 VanDerWaalsContact OE2-N 3.09Å; C553-R555 PolarHBondContact O-N 2.82Å; C553-L565 HydrophobicContact CB-CD1 3.91Å; C553-L565 VanDerWaalsContact O-CD1 3.24Å; C553-L565 WeakPolarHBondContact O-CD1 3.38Å; C553-V585 WeakPolarHBondContact CB-O 3.4Å; C553-V585 PolarHBondContact N-O 3.18Å; C553-L591 HydrophobicContact CB-CD1 4.13Å; C553-L591 HydrophobicContact CB-CD2 4.38Å | ||
| 554 | V | 97.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | 71.1 | -45.6 | 176.8 | -171 | 0 | 0 | 0 | 0 | 114.8 | N478 E481 Y508 Q511 S556 | N478-V554 HydrophobicContact CB-CG1 4.07Å; N478-V554 PolarHBondContact ND2-O 2.87Å; E481-V554 VanDerWaalsContact CD-N 3.3Å; E481-V554 WeakPolarHBondContact OE1-CA 3.46Å; E481-V554 PolarHBondContact OE1-N 2.8Å; E481-V554 VanDerWaalsContact OE1-N 3.15Å; E481-V554 WeakPolarHBondContact OE2-CA 3.43Å; E481-V554 PolarHBondContact OE2-N 3.41Å; Y508-V554 HydrophobicContact CD2-CB 3.67Å; Y508-V554 HydrophobicContact CD2-CG1 3.97Å; Y508-V554 HydrophobicContact CD2-CG2 3.78Å; Y508-V554 HydrophobicContact CE2-CB 4.08Å; Q511-V554 HydrophobicContact CB-CG2 3.62Å; Q511-V554 HydrophobicContact CG-CG2 3.42Å; Q511-V554 VanDerWaalsContact CG-CG2 3.42Å; V554-S556 PolarHBondContact O-N 2.85Å | ||
| 555 | R | 96.7 | Very high | 93.5 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 2% | 0.019 | 20% | 0.199 | C | C | . | . | trans | -71.4 | 122.2 | -168.3 | -59 | -61.4 | -70.8 | 163.3 | 13.2 | 112.2 | E467 Y476 Y508 C553 N557 L560 G561 I562 L565 | E467-R555 IonicContact OE1-CZ 3.43Å; E467-R555 IonicContact OE1-NE 3.1Å; E467-R555 IonicContact OE1-NH1 3.34Å; E467-R555 PolarHBondContact OE1-NH1 3.3Å; E467-R555 IonicContact OE1-NH2 3.28Å; E467-R555 PolarHBondContact OE1-NH2 2.78Å; E467-R555 VanDerWaalsContact OE2-CA 3.27Å; E467-R555 WeakPolarHBondContact OE2-CA 3.12Å; E467-R555 IonicContact OE2-CZ 3.01Å; E467-R555 IonicContact OE2-NE 3.3Å; E467-R555 PolarHBondContact OE2-NE 3.43Å; E467-R555 IonicContact OE2-NH1 3.65Å; E467-R555 PolarHBondContact OE2-NH1 3.16Å; E467-R555 IonicContact OE2-NH2 2.75Å; E467-R555 PolarHBondContact OE2-NH2 3.45Å; Y476-R555 VanDerWaalsContact CE2-NH1 3.26Å; Y508-R555 HydrophobicContact CE2-CG 3.78Å; Y508-R555 VanDerWaalsContact OH-CD 3.25Å; Y508-R555 WeakPolarHBondContact OH-CD 3.24Å; Y508-R555 WeakPolarHBondContact OH-CG 3.32Å; C553-R555 PolarHBondContact O-N 2.82Å; R555-N557 PolarHBondContact NH2-ND2 3.44Å; R555-L560 VanDerWaalsContact NH2-CB 3.33Å; R555-G561 PolarHBondContact NE-O 3.29Å; R555-G561 PolarHBondContact NH2-O 2.84Å; R555-I562 HydrophobicContact CB-CB 4.48Å; R555-I562 HydrophobicContact CB-CG2 4.44Å; R555-L565 HydrophobicContact CB-CD1 4.35Å; R555-L565 HydrophobicContact CG-CD1 4.06Å | ||
| 556 | S | 95.5 | Very high | 93.4 | Very high | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.042 | 20% | 0.203 | C | C | . | . | trans | -153.9 | 82.1 | -175.9 | -170.6 | 0 | 0 | 0 | 0 | 108.9 | G465 E467 V554 N587 | G465-S556 WeakPolarHBondContact O-CB 3.37Å; G465-S556 PolarHBondContact O-OG 2.83Å; E467-S556 WeakPolarHBondContact CG-O 3.23Å; E467-S556 PolarHBondContact OE2-N 2.85Å; V554-S556 PolarHBondContact O-N 2.85Å; S556-N587 PolarHBondContact OG-ND2 2.99Å | ||
| 557 | N | 93.3 | Very high | 93.2 | Very high | 9 Ų | 9 | 36.3 Ų | 36.3 | 5% | 0.048 | 21% | 0.206 | C | C | . | . | trans | -146.1 | 163.4 | -173.9 | 62.5 | 81.5 | 0 | 0 | 0 | 112.1 | E467 R555 N559 L560 G561 V590 | E467-N557 HydrophobicContact CG-CB 4.38Å; E467-N557 WeakPolarHBondContact OE1-CB 3.34Å; E467-N557 PolarHBondContact OE1-ND2 3.39Å; E467-N557 PolarHBondContact OE2-ND2 2.81Å; R555-N557 PolarHBondContact NH2-ND2 3.44Å; N557-N559 PolarHBondContact OD1-N 3.29Å; N557-L560 HydrophobicContact CB-CB 4.37Å; N557-L560 HydrophobicContact CB-CD1 4.44Å; N557-L560 WeakPolarHBondContact OD1-CA 3.04Å; N557-L560 WeakPolarHBondContact OD1-CB 3.4Å; N557-L560 PolarHBondContact OD1-N 2.87Å; N557-G561 PolarHBondContact ND2-O 2.93Å; N557-G561 PolarHBondContact OD1-N 3.34Å; N557-V590 WeakPolarHBondContact O-CG2 3.46Å | ||
| 558 | D | 86.3 | Confident | 93.1 | Very high | 124 Ų | 124 | 36.3 Ų | 36.3 | 66% | 0.663 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -85.5 | -25.7 | -178.3 | -66.9 | -42.2 | 0 | 0 | 0 | 114.7 | R593 | D558-R593 VanDerWaalsContact C-NH1 3.28Å; D558-R593 PolarHBondContact O-NH1 3.21Å; D558-R593 PolarHBondContact O-NH2 3.25Å |
| 559 | N | 84.4 | Confident | 93 | Very high | 148 Ų | 148 | 38 Ų | 38 | 79% | 0.791 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -149.9 | -3.9 | -170.2 | -69.3 | -46.9 | 0 | 0 | 0 | 116.4 | N557 G561 | N557-N559 PolarHBondContact OD1-N 3.29Å; N559-G561 VanDerWaalsContact C-N 3.34Å; N559-G561 PolarHBondContact O-N 2.84Å |
| 560 | L | 82 | Confident | 92.8 | Very high | 119 Ų | 119 | 40.8 Ų | 40.8 | 62% | 0.623 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -86.5 | -3.9 | -173.4 | -60.7 | 176.4 | 0 | 0 | 0 | 113.9 | R555 N557 | R555-L560 VanDerWaalsContact NH2-CB 3.33Å; N557-L560 HydrophobicContact CB-CB 4.37Å; N557-L560 HydrophobicContact CB-CD1 4.44Å; N557-L560 WeakPolarHBondContact OD1-CA 3.04Å; N557-L560 WeakPolarHBondContact OD1-CB 3.4Å; N557-L560 PolarHBondContact OD1-N 2.87Å |
| 561 | G | 87.8 | Confident | 92.7 | Very high | 27 Ų | 27 | 41 Ų | 41 | 28% | 0.278 | 23% | 0.225 | S | C | . | . | trans | 68.3 | -168.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R555 N557 N559 | R555-G561 PolarHBondContact NE-O 3.29Å; R555-G561 PolarHBondContact NH2-O 2.84Å; N557-G561 PolarHBondContact ND2-O 2.93Å; N557-G561 PolarHBondContact OD1-N 3.34Å; N559-G561 VanDerWaalsContact C-N 3.34Å; N559-G561 PolarHBondContact O-N 2.84Å | ||
| 562 | I | 91.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | trans | -111.2 | 5.8 | -170.9 | 69 | 171.1 | 0 | 0 | 0 | 114.2 | Y508 R555 F564 L565 N566 V590 L591 Q594 W597 | Y508-I562 PolarHBondContact OH-O 3.19Å; R555-I562 HydrophobicContact CB-CB 4.48Å; R555-I562 HydrophobicContact CB-CG2 4.44Å; I562-F564 PolarHBondContact O-N 2.82Å; I562-L565 HydrophobicContact CB-CB 4.09Å; I562-L565 HydrophobicContact CB-CD1 4.33Å; I562-L565 HydrophobicContact CD1-CB 3.77Å; I562-L565 HydrophobicContact CG1-CB 3.99Å; I562-L565 WeakPolarHBondContact O-CB 3.44Å; I562-L565 PolarHBondContact O-N 3.47Å; I562-L565 VanDerWaalsContact O-N 3.14Å; I562-N566 HydrophobicContact CD1-CB 4.42Å; I562-N566 HydrophobicContact CG1-CB 4.06Å; I562-V590 HydrophobicContact CG2-CG1 3.92Å; I562-L591 HydrophobicContact CD1-CD2 4.37Å; I562-L591 HydrophobicContact CG2-CD2 4.1Å; I562-Q594 HydrophobicContact CD1-CB 3.88Å; I562-Q594 HydrophobicContact CD1-CG 3.43Å; I562-Q594 VanDerWaalsContact CD1-CG 3.43Å; I562-Q594 HydrophobicContact CG1-CG 3.76Å; I562-W597 VanDerWaalsContact CD1-CD1 3.44Å; I562-W597 HydrophobicContact CD1-CG 4.24Å | ||
| 563 | G | 89.8 | Confident | 92.6 | Very high | 50 Ų | 50 | 40.9 Ų | 40.9 | 52% | 0.515 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | 52.2 | -122.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L565 N566 | G563-L565 PolarHBondContact O-N 2.93Å; G563-N566 WeakPolarHBondContact O-CB 3.42Å; G563-N566 PolarHBondContact O-N 3.03Å; G563-N566 VanDerWaalsContact O-N 3.07Å |
| 564 | F | 86.8 | Confident | 92.6 | Very high | 112 Ų | 112 | 41 Ų | 41 | 49% | 0.491 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -60.6 | -24.3 | -176.7 | -61.5 | -59.4 | 0 | 0 | 0 | 114.3 | P507 Y508 I562 N566 D567 | P507-F564 HydrophobicContact CB-CB 4.08Å; Y508-F564 AromaticContact CD1-CD2 3.9Å; Y508-F564 HydrophobicContact CD1-CD2 3.9Å; Y508-F564 HydrophobicContact CD1-CE2 4.04Å; Y508-F564 AromaticContact CE1-CD2 3.41Å; Y508-F564 HydrophobicContact CE1-CD2 3.41Å; Y508-F564 VanDerWaalsContact CE1-CD2 3.41Å; Y508-F564 AromaticContact CE1-CE2 3.75Å; Y508-F564 HydrophobicContact CE1-CE2 3.75Å; Y508-F564 AromaticContact CZ-CD2 3.87Å; I562-F564 PolarHBondContact O-N 2.82Å; F564-N566 PolarHBondContact O-N 2.8Å; F564-D567 PolarHBondContact O-N 3.24Å |
| 565 | L | 91 | Very high | 92.6 | Very high | 12 Ų | 12 | 41.2 Ų | 41.2 | 6% | 0.063 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -69.1 | -15.7 | 177.2 | -68.3 | 170.3 | 0 | 0 | 0 | 112.9 | P507 C553 R555 I562 G563 D567 L591 W597 | P507-L565 HydrophobicContact CB-CD2 4.49Å; P507-L565 HydrophobicContact CG-CD2 3.8Å; P507-L565 HydrophobicContact CG-CG 4.02Å; C553-L565 HydrophobicContact CB-CD1 3.91Å; C553-L565 VanDerWaalsContact O-CD1 3.24Å; C553-L565 WeakPolarHBondContact O-CD1 3.38Å; R555-L565 HydrophobicContact CB-CD1 4.35Å; R555-L565 HydrophobicContact CG-CD1 4.06Å; I562-L565 HydrophobicContact CB-CB 4.09Å; I562-L565 HydrophobicContact CB-CD1 4.33Å; I562-L565 HydrophobicContact CD1-CB 3.77Å; I562-L565 HydrophobicContact CG1-CB 3.99Å; I562-L565 WeakPolarHBondContact O-CB 3.44Å; I562-L565 PolarHBondContact O-N 3.47Å; I562-L565 VanDerWaalsContact O-N 3.14Å; G563-L565 PolarHBondContact O-N 2.93Å; L565-D567 PolarHBondContact O-N 2.98Å; L565-L591 HydrophobicContact CD1-CD2 3.66Å; L565-W597 HydrophobicContact CB-CZ2 4.17Å; L565-W597 HydrophobicContact CD2-CH2 4.23Å; L565-W597 HydrophobicContact CD2-CZ2 3.62Å; L565-W597 HydrophobicContact CG-CZ2 4.37Å; L565-W597 PolarHBondContact O-NE1 3.47Å |
| 566 | N | 92.5 | Very high | 92.7 | Very high | 82 Ų | 82 | 41 Ų | 41 | 44% | 0.439 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -72.3 | -10.6 | 179.4 | -161.5 | 36.2 | 0 | 0 | 0 | 113.2 | I562 G563 F564 P568 Q594 | I562-N566 HydrophobicContact CD1-CB 4.42Å; I562-N566 HydrophobicContact CG1-CB 4.06Å; G563-N566 WeakPolarHBondContact O-CB 3.42Å; G563-N566 PolarHBondContact O-N 3.03Å; G563-N566 VanDerWaalsContact O-N 3.07Å; F564-N566 PolarHBondContact O-N 2.8Å; N566-P568 WeakPolarHBondContact O-CD 3.3Å; N566-Q594 WeakPolarHBondContact OD1-CG 3.13Å; N566-Q594 PolarHBondContact OD1-OE1 3.13Å; N566-Q594 VanDerWaalsContact OD1-OE1 3.07Å |
| 567 | D | 93.1 | Very high | 92.8 | Very high | 42 Ų | 42 | 40.8 Ų | 40.8 | 23% | 0.225 | 22% | 0.224 | C | C | . | . | trans | -78.8 | 115.7 | -179.8 | -176.1 | -26.4 | 0 | 0 | 0 | 110.9 | F564 L565 R569 R570 L571 | F564-D567 PolarHBondContact O-N 3.24Å; L565-D567 PolarHBondContact O-N 2.98Å; D567-R569 VanDerWaalsContact C-N 3.27Å; D567-R569 PolarHBondContact O-N 2.85Å; D567-R569 WeakPolarHBondContact OD1-CA 3.41Å; D567-R569 VanDerWaalsContact OD1-CB 3.3Å; D567-R569 WeakPolarHBondContact OD1-CB 3.47Å; D567-R569 PolarHBondContact OD1-N 2.8Å; D567-R570 HydrophobicContact CB-CB 4.01Å; D567-R570 HydrophobicContact CB-CG 4.01Å; D567-R570 PolarHBondContact O-N 2.75Å; D567-R570 PolarHBondContact OD1-N 3.1Å; D567-R570 IonicContact OD2-CZ 2.9Å; D567-R570 IonicContact OD2-NH1 3.01Å; D567-R570 PolarHBondContact OD2-NH1 2.81Å; D567-L571 PolarHBondContact O-N 3.17Å; D567-L571 VanDerWaalsContact O-N 3.1Å | ||
| 568 | P | 95.7 | Very high | 93 | Very high | 16 Ų | 16 | 40.4 Ų | 40.4 | 10% | 0.104 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.4 | -32.1 | -178.2 | 26.2 | -34.6 | 0 | 0 | 0 | 112.9 | F428 N566 L571 N572 L596 L635 L638 | F428-P568 HydrophobicContact CE1-CB 4.19Å; F428-P568 VanDerWaalsContact CE1-O 3.26Å; F428-P568 WeakPolarHBondContact CE1-O 3.3Å; N566-P568 WeakPolarHBondContact O-CD 3.3Å; P568-L571 PolarHBondContact O-N 3.23Å; P568-N572 PolarHBondContact O-N 2.87Å; P568-L596 HydrophobicContact CB-CD2 3.5Å; P568-L635 HydrophobicContact CB-CD2 4.19Å; P568-L635 HydrophobicContact CG-CD2 4.1Å; P568-L638 HydrophobicContact CG-CD1 3.75Å |
| 569 | R | 95.2 | Very high | 93.6 | Very high | 38 Ų | 38 | 38 Ų | 38 | 14% | 0.143 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -71 | -38.6 | -179.8 | -64.2 | 165.3 | 174.3 | -143.8 | 4.5 | 110.9 | H375 Q377 L378 E398 D567 N572 V573 | H375-R569 VanDerWaalsContact O-CZ 3.31Å; H375-R569 PolarHBondContact O-NE 3.48Å; H375-R569 PolarHBondContact O-NH2 2.67Å; Q377-R569 WeakPolarHBondContact O-CB 3.4Å; Q377-R569 WeakPolarHBondContact O-CD 3.38Å; Q377-R569 WeakPolarHBondContact O-CG 3.45Å; L378-R569 HydrophobicContact CD2-CB 4.12Å; E398-R569 IonicContact OE1-CZ 3.04Å; E398-R569 IonicContact OE1-NH1 3.32Å; E398-R569 PolarHBondContact OE1-NH1 2.89Å; E398-R569 IonicContact OE1-NH2 2.61Å; E398-R569 PolarHBondContact OE1-NH2 3.17Å; D567-R569 VanDerWaalsContact C-N 3.27Å; D567-R569 PolarHBondContact O-N 2.85Å; D567-R569 WeakPolarHBondContact OD1-CA 3.41Å; D567-R569 VanDerWaalsContact OD1-CB 3.3Å; D567-R569 WeakPolarHBondContact OD1-CB 3.47Å; D567-R569 PolarHBondContact OD1-N 2.8Å; R569-N572 PolarHBondContact O-N 2.88Å; R569-V573 WeakPolarHBondContact O-CG2 3.48Å; R569-V573 PolarHBondContact O-N 3.06Å |
| 570 | R | 95.4 | Very high | 94.2 | Very high | 60 Ų | 60 | 31.9 Ų | 31.9 | 23% | 0.226 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.4 | -43.6 | 172.7 | -74.8 | -175.1 | 174.6 | 98.6 | 3.4 | 111.2 | L378 V538 D539 D567 V573 A574 | L378-R570 HydrophobicContact CD2-CB 4.39Å; L378-R570 HydrophobicContact CD2-CG 3.51Å; V538-R570 HydrophobicContact CB-CB 4.46Å; V538-R570 HydrophobicContact CB-CG 4.49Å; V538-R570 HydrophobicContact CG1-CB 3.9Å; V538-R570 HydrophobicContact CG1-CG 4.14Å; V538-R570 WeakPolarHBondContact CG1-O 3.48Å; D539-R570 IonicContact OD1-CZ 2.78Å; D539-R570 IonicContact OD1-NE 3.55Å; D539-R570 PolarHBondContact OD1-NE 3.36Å; D539-R570 IonicContact OD1-NH2 2.87Å; D539-R570 PolarHBondContact OD1-NH2 2.96Å; D539-R570 IonicContact OD2-CZ 2.68Å; D539-R570 IonicContact OD2-NE 3.86Å; D539-R570 PolarHBondContact OD2-NE 2.86Å; D539-R570 IonicContact OD2-NH2 2.68Å; D567-R570 HydrophobicContact CB-CB 4.01Å; D567-R570 HydrophobicContact CB-CG 4.01Å; D567-R570 PolarHBondContact O-N 2.75Å; D567-R570 PolarHBondContact OD1-N 3.1Å; D567-R570 IonicContact OD2-CZ 2.9Å; D567-R570 IonicContact OD2-NH1 3.01Å; D567-R570 PolarHBondContact OD2-NH1 2.81Å; R570-V573 PolarHBondContact O-N 3.04Å; R570-A574 WeakPolarHBondContact O-CB 3.45Å; R570-A574 PolarHBondContact O-N 2.97Å |
| 571 | L | 97.4 | Very high | 95 | Very high | 5 Ų | 5 | 26.2 Ų | 26.2 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.9 | -49 | 175.2 | -178.6 | 59.3 | 0 | 0 | 0 | 111.1 | F428 D567 P568 V573 A574 L575 L596 W597 L600 | F428-L571 HydrophobicContact CZ-CD2 4.46Å; F428-L571 HydrophobicContact CZ-CG 4.42Å; D567-L571 PolarHBondContact O-N 3.17Å; D567-L571 VanDerWaalsContact O-N 3.1Å; P568-L571 PolarHBondContact O-N 3.23Å; L571-V573 VanDerWaalsContact C-N 3.34Å; L571-V573 PolarHBondContact O-N 2.84Å; L571-A574 PolarHBondContact O-N 3.05Å; L571-A574 VanDerWaalsContact O-N 3.16Å; L571-L575 HydrophobicContact CD1-CD1 3.92Å; L571-L575 HydrophobicContact CD1-CD2 4.09Å; L571-L575 HydrophobicContact CD1-CG 3.79Å; L571-L575 HydrophobicContact CD2-CD1 4.42Å; L571-L575 HydrophobicContact CG-CD1 3.85Å; L571-L575 HydrophobicContact CG-CG 4.13Å; L571-L575 VanDerWaalsContact O-CG 3.31Å; L571-L575 WeakPolarHBondContact O-CG 3.47Å; L571-L575 PolarHBondContact O-N 3.37Å; L571-L596 HydrophobicContact CB-CD2 4.5Å; L571-L596 HydrophobicContact CD2-CD1 4.21Å; L571-L596 HydrophobicContact CD2-CD2 3.76Å; L571-L596 HydrophobicContact CD2-CG 3.61Å; L571-W597 HydrophobicContact CD1-CH2 3.71Å; L571-W597 HydrophobicContact CD1-CZ2 3.59Å; L571-W597 HydrophobicContact CD1-CZ3 4.32Å; L571-L600 HydrophobicContact CD1-CD2 4.18Å; L571-L600 HydrophobicContact CD2-CD2 4.47Å |
| 572 | N | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.1 | -45.6 | 177.5 | -171.2 | 16.7 | 0 | 0 | 0 | 112.1 | C376 F428 Y429 P568 R569 A574 L575 T576 | C376-N572 PolarHBondContact O-ND2 3.13Å; F428-N572 HydrophobicContact CD1-CB 3.79Å; F428-N572 HydrophobicContact CD2-CB 3.79Å; F428-N572 WeakPolarHBondContact CD2-OD1 3.38Å; F428-N572 HydrophobicContact CE1-CB 3.74Å; F428-N572 HydrophobicContact CE2-CB 3.74Å; F428-N572 HydrophobicContact CG-CB 3.86Å; F428-N572 HydrophobicContact CZ-CB 3.72Å; Y429-N572 PolarHBondContact OH-ND2 3.25Å; P568-N572 PolarHBondContact O-N 2.87Å; R569-N572 PolarHBondContact O-N 2.88Å; N572-A574 PolarHBondContact O-N 2.82Å; N572-L575 PolarHBondContact O-N 2.61Å; N572-T576 WeakPolarHBondContact O-CB 3.2Å; N572-T576 WeakPolarHBondContact O-CG2 3.34Å; N572-T576 PolarHBondContact O-N 3.16Å; N572-T576 VanDerWaalsContact O-N 3.14Å; N572-T576 PolarHBondContact O-OG1 3Å; N572-T576 WeakPolarHBondContact OD1-CG2 2.94Å |
| 573 | V | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.8 | -52.1 | 175 | 169.3 | 0 | 0 | 0 | 0 | 110.5 | Q377 L378 V538 R569 R570 L571 L575 T576 R577 | Q377-V573 HydrophobicContact CB-CG2 3.89Å; Q377-V573 HydrophobicContact CG-CG2 3.8Å; L378-V573 HydrophobicContact CD1-CG2 4.27Å; L378-V573 HydrophobicContact CG-CG2 3.89Å; V538-V573 HydrophobicContact CG1-CB 3.84Å; V538-V573 HydrophobicContact CG1-CG1 3.76Å; R569-V573 WeakPolarHBondContact O-CG2 3.48Å; R569-V573 PolarHBondContact O-N 3.06Å; R570-V573 PolarHBondContact O-N 3.04Å; L571-V573 VanDerWaalsContact C-N 3.34Å; L571-V573 PolarHBondContact O-N 2.84Å; V573-L575 PolarHBondContact O-N 2.97Å; V573-T576 PolarHBondContact O-N 3.41Å; V573-T576 VanDerWaalsContact O-N 3.12Å; V573-T576 PolarHBondContact O-OG1 3.48Å; V573-T576 VanDerWaalsContact O-OG1 3.13Å; V573-R577 HydrophobicContact CG1-CG 4.42Å; V573-R577 WeakPolarHBondContact O-CD 3.34Å; V573-R577 WeakPolarHBondContact O-CG 3.26Å; V573-R577 PolarHBondContact O-N 2.6Å; V573-R577 PolarHBondContact O-NE 3.31Å |
| 574 | A | 98 | Very high | 96.3 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 3% | 0.025 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.9 | -45.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V538 L551 R570 L571 N572 T576 | V538-A574 HydrophobicContact CG1-CB 4.37Å; V538-A574 HydrophobicContact CG2-CB 4.31Å; L551-A574 HydrophobicContact CD1-CB 4.31Å; L551-A574 HydrophobicContact CD2-CB 4.1Å; R570-A574 WeakPolarHBondContact O-CB 3.45Å; R570-A574 PolarHBondContact O-N 2.97Å; L571-A574 PolarHBondContact O-N 3.05Å; L571-A574 VanDerWaalsContact O-N 3.16Å; N572-A574 PolarHBondContact O-N 2.82Å; A574-T576 PolarHBondContact O-N 3.27Å |
| 575 | L | 98.2 | Very high | 96.8 | Very high | 4 Ų | 4 | 17.3 Ų | 17.3 | 2% | 0.021 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.4 | -26.6 | 179.5 | -64 | -178.9 | 0 | 0 | 0 | 112.8 | F423 P424 F428 L571 N572 V573 L582 I584 L600 | F423-L575 HydrophobicContact CD1-CD1 3.78Å; F423-L575 HydrophobicContact CE1-CD1 3.95Å; P424-L575 HydrophobicContact CG-CB 4.02Å; P424-L575 HydrophobicContact CG-CD1 4.36Å; F428-L575 HydrophobicContact CE2-CD1 4.46Å; L571-L575 HydrophobicContact CD1-CD1 3.92Å; L571-L575 HydrophobicContact CD1-CD2 4.09Å; L571-L575 HydrophobicContact CD1-CG 3.79Å; L571-L575 HydrophobicContact CD2-CD1 4.42Å; L571-L575 HydrophobicContact CG-CD1 3.85Å; L571-L575 HydrophobicContact CG-CG 4.13Å; L571-L575 VanDerWaalsContact O-CG 3.31Å; L571-L575 WeakPolarHBondContact O-CG 3.47Å; L571-L575 PolarHBondContact O-N 3.37Å; N572-L575 PolarHBondContact O-N 2.61Å; V573-L575 PolarHBondContact O-N 2.97Å; L575-L582 HydrophobicContact CD2-CD2 3.73Å; L575-I584 HydrophobicContact CD2-CD1 3.7Å; L575-L600 HydrophobicContact CD1-CD1 4.04Å; L575-L600 HydrophobicContact CD1-CD2 4.43Å; L575-L600 HydrophobicContact CD2-CD1 4.45Å; L575-L600 HydrophobicContact CD2-CD2 4.24Å |
| 576 | T | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 13.7 | -171.3 | 62.9 | 0 | 0 | 0 | 0 | 114.2 | P206 R415 M416 P424 N572 V573 A574 | P206-T576 HydrophobicContact CB-CG2 4.3Å; P206-T576 VanDerWaalsContact CG-CB 3.48Å; P206-T576 HydrophobicContact CG-CG2 3.71Å; P206-T576 WeakPolarHBondContact CG-OG1 3.04Å; R415-T576 WeakPolarHBondContact CD-O 3.23Å; R415-T576 PolarHBondContact NH1-O 3.4Å; R415-T576 VanDerWaalsContact NH1-O 3.16Å; M416-T576 HydrophobicContact CE-CG2 4.28Å; M416-T576 HydrophobicContact SD-CG2 3.81Å; P424-T576 HydrophobicContact CB-CG2 3.84Å; P424-T576 HydrophobicContact CG-CG2 4Å; N572-T576 WeakPolarHBondContact O-CB 3.2Å; N572-T576 WeakPolarHBondContact O-CG2 3.34Å; N572-T576 PolarHBondContact O-N 3.16Å; N572-T576 VanDerWaalsContact O-N 3.14Å; N572-T576 PolarHBondContact O-OG1 3Å; N572-T576 WeakPolarHBondContact OD1-CG2 2.94Å; V573-T576 PolarHBondContact O-N 3.41Å; V573-T576 VanDerWaalsContact O-N 3.12Å; V573-T576 PolarHBondContact O-OG1 3.48Å; V573-T576 VanDerWaalsContact O-OG1 3.13Å; A574-T576 PolarHBondContact O-N 3.27Å |
| 577 | R | 97.4 | Very high | 97.4 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.008 | 6% | 0.058 | C | C | . | . | S | Bend | trans | -88.3 | -22.9 | 176.8 | -63.8 | -44.2 | 79 | -175.1 | 13.6 | 113.8 | I505 F541 R544 E545 K546 I549 V573 | I505-R577 HydrophobicContact CD1-CB 3.98Å; I505-R577 HydrophobicContact CD1-CG 3.63Å; F541-R577 HydrophobicContact CB-CG 4.08Å; F541-R577 HydrophobicContact CD1-CG 4.46Å; F541-R577 VanDerWaalsContact O-CD 3.25Å; F541-R577 WeakPolarHBondContact O-CD 3.46Å; R544-R577 VanDerWaalsContact O-CD 3.23Å; R544-R577 WeakPolarHBondContact O-CD 3.2Å; R544-R577 PolarHBondContact O-NH1 3.5Å; E545-R577 VanDerWaalsContact CA-O 3.3Å; E545-R577 WeakPolarHBondContact CA-O 3.31Å; E545-R577 WeakPolarHBondContact CB-O 3.4Å; K546-R577 PolarHBondContact N-O 3.47Å; I549-R577 HydrophobicContact CD1-CB 3.78Å; I549-R577 HydrophobicContact CG1-CB 3.76Å; V573-R577 HydrophobicContact CG1-CG 4.42Å; V573-R577 WeakPolarHBondContact O-CD 3.34Å; V573-R577 WeakPolarHBondContact O-CG 3.26Å; V573-R577 PolarHBondContact O-N 2.6Å; V573-R577 PolarHBondContact O-NE 3.31Å |
| 578 | A | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 138.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | M416 L420 K546 I549 G581 L582 | M416-A578 WeakPolarHBondContact CG-O 3.26Å; L420-A578 HydrophobicContact CD1-CB 4.08Å; K546-A578 CarbonylContact O-C 3.54Å; I549-A578 HydrophobicContact CB-CB 3.97Å; I549-A578 HydrophobicContact CG1-CB 3.75Å; A578-G581 VanDerWaalsContact CB-O 3.31Å; A578-G581 WeakPolarHBondContact CB-O 3.44Å; A578-L582 HydrophobicContact CB-CB 4.06Å |
| 579 | R | 98 | Very high | 97.4 | Very high | 74 Ų | 74 | 16.6 Ų | 16.6 | 28% | 0.279 | 7% | 0.069 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -47.2 | 171.7 | -63.1 | 171.7 | 64.1 | -153 | 6.9 | 112 | R415 H417 K546 D547 | R415-R579 HydrophobicContact CG-CG 3.8Å; H417-R579 PolarHBondContact N-O 3.33Å; K546-R579 PolarHBondContact O-N 2.84Å; D547-R579 PolarHBondContact O-N 3.31Å; D547-R579 IonicContact OD1-CZ 3.85Å; D547-R579 IonicContact OD1-NE 3.87Å; D547-R579 IonicContact OD1-NH1 2.9Å; D547-R579 PolarHBondContact OD1-NH1 2.87Å |
| 580 | F | 97.6 | Very high | 97.3 | Very high | 20 Ų | 20 | 15.1 Ų | 15.1 | 9% | 0.088 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | -34.4 | -171.1 | -64.3 | -93.8 | 0 | 0 | 0 | 113.2 | R442 L444 P457 D547 F548 | R442-F580 WeakPolarHBondContact O-CD1 3.49Å; L444-F580 HydrophobicContact CB-CD1 3.97Å; L444-F580 HydrophobicContact CB-CE1 4.34Å; L444-F580 HydrophobicContact CB-CG 4.44Å; L444-F580 HydrophobicContact CD1-CE1 4.45Å; P457-F580 WeakPolarHBondContact CB-O 3.48Å; P457-F580 WeakPolarHBondContact CG-O 3.3Å; D547-F580 HydrophobicContact CB-CD2 3.49Å; D547-F580 VanDerWaalsContact CB-CD2 3.49Å; D547-F580 HydrophobicContact CB-CE2 4.04Å; D547-F580 HydrophobicContact CB-CG 4.43Å; D547-F580 WeakPolarHBondContact O-CA 3.29Å; D547-F580 WeakPolarHBondContact O-CB 3.26Å; D547-F580 PolarHBondContact O-N 2.61Å; D547-F580 WeakPolarHBondContact OD1-CE2 3.41Å; F548-F580 HydrophobicContact CD1-CB 4.37Å; F548-F580 HydrophobicContact CE1-CB 3.86Å; F548-F580 HydrophobicContact CZ-CB 4.22Å |
| 581 | G | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 152.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | P457 D547 F548 I549 A578 | P457-G581 CarbonylContact O-C 3.56Å; P457-G581 WeakPolarHBondContact O-CA 3.45Å; D547-G581 PolarHBondContact O-N 2.88Å; D547-G581 VanDerWaalsContact O-N 3.14Å; F548-G581 WeakPolarHBondContact CA-O 3.24Å; I549-G581 PolarHBondContact N-O 3.45Å; A578-G581 VanDerWaalsContact CB-O 3.31Å; A578-G581 WeakPolarHBondContact CB-O 3.44Å |
| 582 | L | 98.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 12.7 Ų | 12.7 | 2% | 0.021 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 122.8 | -175.1 | 173.5 | 63.5 | 0 | 0 | 0 | 111.2 | L420 P457 M458 F459 I549 L575 A578 I584 | L420-L582 HydrophobicContact CD2-CB 3.62Å; P457-L582 PolarHBondContact O-N 3.1Å; M458-L582 WeakPolarHBondContact CA-O 3.44Å; M458-L582 HydrophobicContact CB-CB 4.19Å; M458-L582 WeakPolarHBondContact CB-O 3.49Å; F459-L582 PolarHBondContact N-O 3.34Å; I549-L582 HydrophobicContact CB-CD1 3.85Å; I549-L582 HydrophobicContact CG2-CD1 3.68Å; I549-L582 WeakPolarHBondContact O-CA 3.32Å; L575-L582 HydrophobicContact CD2-CD2 3.73Å; A578-L582 HydrophobicContact CB-CB 4.06Å; L582-I584 HydrophobicContact CD1-CG1 4.34Å; L582-I584 HydrophobicContact CD2-CD1 4.36Å; L582-I584 HydrophobicContact CD2-CG1 4.4Å; L582-I584 HydrophobicContact CG-CG1 4.17Å |
| 583 | I | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 124 | 173 | -57.1 | 173.1 | 0 | 0 | 0 | 109 | F449 W451 F459 L488 F492 I549 L550 L551 V585 | F449-I583 HydrophobicContact CE1-CD1 4.5Å; F449-I583 HydrophobicContact CZ-CD1 4.23Å; W451-I583 HydrophobicContact CH2-CD1 4.38Å; W451-I583 HydrophobicContact CH2-CG1 4.3Å; W451-I583 HydrophobicContact CZ3-CD1 4.1Å; W451-I583 HydrophobicContact CZ3-CG1 3.85Å; F459-I583 HydrophobicContact CD1-CD1 4.26Å; F459-I583 HydrophobicContact CD1-CG1 3.93Å; F459-I583 HydrophobicContact CD2-CG2 3.98Å; F459-I583 HydrophobicContact CE1-CB 4.42Å; F459-I583 HydrophobicContact CE1-CD1 3.33Å; F459-I583 HydrophobicContact CE1-CG1 3.48Å; F459-I583 VanDerWaalsContact CE1-CG1 3.48Å; F459-I583 HydrophobicContact CE1-CG2 4.12Å; F459-I583 HydrophobicContact CE2-CD1 4.48Å; F459-I583 HydrophobicContact CE2-CG1 4.49Å; F459-I583 HydrophobicContact CE2-CG2 3.56Å; F459-I583 HydrophobicContact CG-CG2 4.46Å; F459-I583 HydrophobicContact CZ-CB 4.38Å; F459-I583 HydrophobicContact CZ-CD1 3.48Å; F459-I583 VanDerWaalsContact CZ-CD1 3.48Å; F459-I583 HydrophobicContact CZ-CG1 3.83Å; F459-I583 HydrophobicContact CZ-CG2 3.64Å; F459-I583 WeakPolarHBondContact O-CA 3.33Å; L488-I583 HydrophobicContact CD1-CB 4.25Å; L488-I583 HydrophobicContact CD1-CD1 4.31Å; L488-I583 HydrophobicContact CD1-CG2 3.66Å; L488-I583 HydrophobicContact CD2-CD1 3.63Å; F492-I583 HydrophobicContact CE1-CD1 3.97Å; F492-I583 HydrophobicContact CE2-CD1 4.41Å; F492-I583 HydrophobicContact CZ-CD1 3.47Å; F492-I583 VanDerWaalsContact CZ-CD1 3.47Å; F492-I583 HydrophobicContact CZ-CG1 4.41Å; I549-I583 PolarHBondContact O-N 3.15Å; L550-I583 CarbonylContact C-O 3.55Å; L550-I583 WeakPolarHBondContact CA-O 3.38Å; L550-I583 HydrophobicContact CD2-CB 3.92Å; L550-I583 HydrophobicContact CD2-CD1 4.09Å; L550-I583 HydrophobicContact CD2-CG1 4.29Å; L551-I583 PolarHBondContact N-O 3.37Å; I583-V585 HydrophobicContact CG2-CG2 4.36Å |
| 584 | I | 98.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 129 | 177.1 | -52.5 | 178.4 | 0 | 0 | 0 | 108.2 | F459 F460 W461 L551 L575 L582 W597 L600 | F459-I584 PolarHBondContact O-N 2.99Å; F460-I584 CarbonylContact C-O 3.59Å; F460-I584 WeakPolarHBondContact CA-O 3.47Å; F460-I584 HydrophobicContact CD2-CB 3.75Å; F460-I584 HydrophobicContact CD2-CG2 3.57Å; F460-I584 HydrophobicContact CE2-CB 4.22Å; F460-I584 HydrophobicContact CE2-CG2 3.52Å; F460-I584 HydrophobicContact CG-CB 4.46Å; W461-I584 PolarHBondContact N-O 2.86Å; L551-I584 HydrophobicContact CB-CG1 4.29Å; L551-I584 HydrophobicContact CB-CG2 4.4Å; L551-I584 HydrophobicContact CD2-CD1 4.33Å; L551-I584 HydrophobicContact CD2-CG1 4.13Å; L551-I584 HydrophobicContact CD2-CG2 4.03Å; L551-I584 HydrophobicContact CG-CG2 4.25Å; L551-I584 CarbonylContact O-C 3.51Å; L575-I584 HydrophobicContact CD2-CD1 3.7Å; L582-I584 HydrophobicContact CD1-CG1 4.34Å; L582-I584 HydrophobicContact CD2-CD1 4.36Å; L582-I584 HydrophobicContact CD2-CG1 4.4Å; L582-I584 HydrophobicContact CG-CG1 4.17Å; I584-W597 HydrophobicContact CG2-CZ3 4.33Å; I584-L600 HydrophobicContact CD1-CD2 3.99Å |
| 585 | V | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 123.5 | 177 | -170.7 | 0 | 0 | 0 | 0 | 108.4 | W461 E481 N484 I485 L488 L551 C553 I583 | W461-V585 HydrophobicContact CB-CG2 4.32Å; W461-V585 HydrophobicContact CE3-CG2 4.32Å; W461-V585 WeakPolarHBondContact O-CA 3.35Å; E481-V585 HydrophobicContact CB-CG1 4.27Å; E481-V585 HydrophobicContact CG-CG1 3.98Å; N484-V585 HydrophobicContact CB-CG1 4.23Å; I485-V585 HydrophobicContact CD1-CB 4.33Å; I485-V585 HydrophobicContact CD1-CG2 3.79Å; L488-V585 HydrophobicContact CD1-CG2 3.95Å; L551-V585 PolarHBondContact O-N 2.92Å; C553-V585 WeakPolarHBondContact CB-O 3.4Å; C553-V585 PolarHBondContact N-O 3.18Å; I583-V585 HydrophobicContact CG2-CG2 4.36Å |
| 586 | G | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.7 | 177.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | F460 W461 S463 P588 | F460-G586 VanDerWaalsContact CE1-O 3.28Å; F460-G586 WeakPolarHBondContact CE1-O 3.15Å; W461-G586 PolarHBondContact O-N 3.42Å; S463-G586 PolarHBondContact N-O 2.79Å; S463-G586 CarbonylContact O-C 3.52Å; G586-P588 VanDerWaalsContact O-CD 3.31Å; G586-P588 WeakPolarHBondContact O-CD 3.42Å |
| 587 | N | 97 | Very high | 96.2 | Very high | 7 Ų | 7 | 26.2 Ų | 26.2 | 4% | 0.037 | 12% | 0.115 | C | C | . | . | trans | -91 | 105.3 | 175.6 | -174.7 | -25.4 | 0 | 0 | 0 | 110.9 | S463 M464 S556 K589 V590 L591 | S463-N587 VanDerWaalsContact O-CA 3.31Å; S463-N587 WeakPolarHBondContact O-CA 3.41Å; S463-N587 WeakPolarHBondContact O-CB 3.31Å; S463-N587 PolarHBondContact O-N 2.9Å; M464-N587 PolarHBondContact SD-OD1 3.46Å; S556-N587 PolarHBondContact OG-ND2 2.99Å; N587-K589 VanDerWaalsContact C-N 3.28Å; N587-K589 PolarHBondContact O-N 3.32Å; N587-K589 WeakPolarHBondContact OD1-CB 3.46Å; N587-K589 PolarHBondContact OD1-N 3.24Å; N587-V590 HydrophobicContact CB-CB 4.35Å; N587-V590 HydrophobicContact CB-CG2 4.23Å; N587-V590 PolarHBondContact O-N 2.79Å; N587-V590 PolarHBondContact OD1-N 2.68Å; N587-L591 VanDerWaalsContact O-CG 3.29Å; N587-L591 WeakPolarHBondContact O-CG 3.33Å; N587-L591 PolarHBondContact O-N 2.88Å; N587-L591 VanDerWaalsContact O-N 3.08Å | ||
| 588 | P | 95.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -68 | -27.4 | -175 | 28.2 | -33.1 | 0 | 0 | 0 | 112.6 | F460 L462 G586 V590 A592 L601 F625 | F460-P588 HydrophobicContact CE1-CB 4.06Å; F460-P588 HydrophobicContact CE1-CG 4.3Å; F460-P588 HydrophobicContact CZ-CB 4.45Å; L462-P588 HydrophobicContact CB-CG 4.34Å; L462-P588 HydrophobicContact CD1-CG 3.63Å; L462-P588 HydrophobicContact CG-CG 3.73Å; G586-P588 VanDerWaalsContact O-CD 3.31Å; G586-P588 WeakPolarHBondContact O-CD 3.42Å; P588-V590 VanDerWaalsContact C-N 3.27Å; P588-V590 PolarHBondContact O-N 3.31Å; P588-A592 WeakPolarHBondContact O-CB 3.3Å; P588-A592 PolarHBondContact O-N 2.95Å; P588-L601 HydrophobicContact CB-CD1 3.92Å; P588-L601 HydrophobicContact CB-CD2 3.82Å; P588-F625 HydrophobicContact CB-CE1 4.21Å; P588-F625 HydrophobicContact CB-CZ 4.01Å |
| 589 | K | 92.8 | Very high | 96 | Very high | 131 Ų | 131 | 27.8 Ų | 27.8 | 57% | 0.57 | 12% | 0.123 | S | C | * | . | H | α-helix | trans | -65.9 | -32.7 | 178.1 | -62.5 | -172.2 | -176.8 | 179.2 | 0 | 112.1 | M464 N587 | M464-K589 HydrophobicContact CE-CD 4.05Å; N587-K589 VanDerWaalsContact C-N 3.28Å; N587-K589 PolarHBondContact O-N 3.32Å; N587-K589 WeakPolarHBondContact OD1-CB 3.46Å; N587-K589 PolarHBondContact OD1-N 3.24Å |
| 590 | V | 94.2 | Very high | 95.9 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 4% | 0.036 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -85.7 | -42.9 | -178.9 | -178.4 | 0 | 0 | 0 | 0 | 110.2 | N557 I562 N587 P588 R593 | N557-V590 WeakPolarHBondContact O-CG2 3.46Å; I562-V590 HydrophobicContact CG2-CG1 3.92Å; N587-V590 HydrophobicContact CB-CB 4.35Å; N587-V590 HydrophobicContact CB-CG2 4.23Å; N587-V590 PolarHBondContact O-N 2.79Å; N587-V590 PolarHBondContact OD1-N 2.68Å; P588-V590 VanDerWaalsContact C-N 3.27Å; P588-V590 PolarHBondContact O-N 3.31Å; V590-R593 WeakPolarHBondContact O-CB 3.31Å; V590-R593 PolarHBondContact O-N 3.09Å |
| 591 | L | 95.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.8 | -41.5 | 179 | -64.4 | 172.8 | 0 | 0 | 0 | 112.4 | F460 C553 I562 L565 N587 R593 Q594 W597 L601 | F460-L591 HydrophobicContact CE2-CD1 3.78Å; F460-L591 HydrophobicContact CZ-CD1 3.63Å; C553-L591 HydrophobicContact CB-CD1 4.13Å; C553-L591 HydrophobicContact CB-CD2 4.38Å; I562-L591 HydrophobicContact CD1-CD2 4.37Å; I562-L591 HydrophobicContact CG2-CD2 4.1Å; L565-L591 HydrophobicContact CD1-CD2 3.66Å; N587-L591 VanDerWaalsContact O-CG 3.29Å; N587-L591 WeakPolarHBondContact O-CG 3.33Å; N587-L591 PolarHBondContact O-N 2.88Å; N587-L591 VanDerWaalsContact O-N 3.08Å; L591-R593 PolarHBondContact O-N 2.93Å; L591-Q594 PolarHBondContact O-N 2.98Å; L591-W597 HydrophobicContact CB-CB 4.1Å; L591-W597 HydrophobicContact CB-CD2 4.29Å; L591-W597 HydrophobicContact CB-CE3 4.18Å; L591-W597 HydrophobicContact CB-CG 4.28Å; L591-W597 HydrophobicContact CD1-CE3 3.86Å; L591-W597 HydrophobicContact CD1-CZ3 3.97Å; L591-W597 HydrophobicContact CD2-CD2 4.06Å; L591-W597 HydrophobicContact CD2-CE3 4.21Å; L591-W597 HydrophobicContact CD2-CG 4.45Å; L591-W597 HydrophobicContact CG-CE3 4.31Å; L591-W597 WeakPolarHBondContact O-CB 3.46Å; L591-L601 HydrophobicContact CB-CD1 4.06Å |
| 592 | A | 93.8 | Very high | 95.8 | Very high | 15 Ų | 15 | 24.8 Ų | 24.8 | 12% | 0.124 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -5.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P588 Q594 Q598 L601 F625 | P588-A592 WeakPolarHBondContact O-CB 3.3Å; P588-A592 PolarHBondContact O-N 2.95Å; A592-Q594 VanDerWaalsContact C-N 3.26Å; A592-Q598 HydrophobicContact CB-CB 4.38Å; A592-Q598 HydrophobicContact CB-CG 4.35Å; A592-Q598 WeakPolarHBondContact O-CB 3.31Å; A592-Q598 PolarHBondContact O-OE1 3.35Å; A592-L601 HydrophobicContact CB-CD1 3.78Å; A592-F625 HydrophobicContact CB-CD1 3.6Å; A592-F625 HydrophobicContact CB-CE1 3.66Å |
| 593 | R | 91.9 | Very high | 95.7 | Very high | 131 Ų | 131 | 26 Ų | 26 | 49% | 0.494 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -19.1 | 171.7 | -61.7 | 173.1 | 178.3 | -168.5 | -4.6 | 112.7 | D558 V590 L591 | D558-R593 VanDerWaalsContact C-NH1 3.28Å; D558-R593 PolarHBondContact O-NH1 3.21Å; D558-R593 PolarHBondContact O-NH2 3.25Å; V590-R593 WeakPolarHBondContact O-CB 3.31Å; V590-R593 PolarHBondContact O-N 3.09Å; L591-R593 PolarHBondContact O-N 2.93Å |
| 594 | Q | 92 | Very high | 95.6 | Very high | 66 Ų | 66 | 26.1 Ų | 26.1 | 31% | 0.308 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -99.3 | 128.4 | 171.5 | -66.6 | -61 | -16.3 | 0 | 0 | 109.6 | I562 N566 L591 A592 L596 W597 Q598 | I562-Q594 HydrophobicContact CD1-CB 3.88Å; I562-Q594 HydrophobicContact CD1-CG 3.43Å; I562-Q594 VanDerWaalsContact CD1-CG 3.43Å; I562-Q594 HydrophobicContact CG1-CG 3.76Å; N566-Q594 WeakPolarHBondContact OD1-CG 3.13Å; N566-Q594 PolarHBondContact OD1-OE1 3.13Å; N566-Q594 VanDerWaalsContact OD1-OE1 3.07Å; L591-Q594 PolarHBondContact O-N 2.98Å; A592-Q594 VanDerWaalsContact C-N 3.26Å; Q594-L596 VanDerWaalsContact C-N 3.3Å; Q594-L596 PolarHBondContact O-N 3.11Å; Q594-W597 PolarHBondContact O-N 3.33Å; Q594-W597 VanDerWaalsContact O-N 3.08Å; Q594-Q598 PolarHBondContact O-N 3.13Å |
| 595 | Q | 92.5 | Very high | 95.5 | Very high | 71 Ų | 71 | 28.8 Ų | 28.8 | 33% | 0.332 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -54.7 | -42.4 | -170.4 | -175.4 | 61 | 59.5 | 0 | 0 | 113.4 | Q598 N599 T628 | Q595-Q598 WeakPolarHBondContact O-CB 3.27Å; Q595-Q598 PolarHBondContact O-N 2.96Å; Q595-N599 PolarHBondContact NE2-OD1 3.33Å; Q595-N599 PolarHBondContact O-N 3.37Å; Q595-N599 PolarHBondContact O-OD1 3.1Å; Q595-T628 VanDerWaalsContact CD-OG1 3.23Å; Q595-T628 PolarHBondContact NE2-OG1 3.07Å; Q595-T628 PolarHBondContact OE1-OG1 3.1Å |
| 596 | L | 94.8 | Very high | 95.3 | Very high | 17 Ų | 17 | 33.6 Ų | 33.6 | 9% | 0.089 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.8 | -42.6 | -179.8 | 177.5 | 54.7 | 0 | 0 | 0 | 112.5 | F423 V427 F428 P568 L571 Q594 Q598 N599 L600 I633 | F423-L596 HydrophobicContact CZ-CD1 4.27Å; V427-L596 HydrophobicContact CG1-CD1 3.58Å; F428-L596 HydrophobicContact CE1-CD2 4.16Å; F428-L596 HydrophobicContact CZ-CD1 4.22Å; F428-L596 HydrophobicContact CZ-CD2 4.14Å; P568-L596 HydrophobicContact CB-CD2 3.5Å; L571-L596 HydrophobicContact CB-CD2 4.5Å; L571-L596 HydrophobicContact CD2-CD1 4.21Å; L571-L596 HydrophobicContact CD2-CD2 3.76Å; L571-L596 HydrophobicContact CD2-CG 3.61Å; Q594-L596 VanDerWaalsContact C-N 3.3Å; Q594-L596 PolarHBondContact O-N 3.11Å; L596-Q598 VanDerWaalsContact C-N 3.34Å; L596-N599 PolarHBondContact O-N 3.24Å; L596-L600 PolarHBondContact O-N 2.9Å; L596-L600 VanDerWaalsContact O-N 3.09Å; L596-I633 HydrophobicContact CB-CD1 3.8Å; L596-I633 HydrophobicContact CD1-CD1 3.76Å; L596-I633 HydrophobicContact CD2-CD1 4.08Å; L596-I633 HydrophobicContact CG-CD1 4.07Å |
| 597 | W | 96.5 | Very high | 95.2 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 2% | 0.019 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -68.9 | -35.6 | 175.8 | -83.2 | 95.2 | 0 | 0 | 0 | 112 | F460 L551 I562 L565 L571 I584 L591 Q594 L600 L601 | F460-W597 HydrophobicContact CE2-CZ3 4.45Å; L551-W597 HydrophobicContact CD2-CH2 4.3Å; I562-W597 VanDerWaalsContact CD1-CD1 3.44Å; I562-W597 HydrophobicContact CD1-CG 4.24Å; L565-W597 HydrophobicContact CB-CZ2 4.17Å; L565-W597 HydrophobicContact CD2-CH2 4.23Å; L565-W597 HydrophobicContact CD2-CZ2 3.62Å; L565-W597 HydrophobicContact CG-CZ2 4.37Å; L565-W597 PolarHBondContact O-NE1 3.47Å; L571-W597 HydrophobicContact CD1-CH2 3.71Å; L571-W597 HydrophobicContact CD1-CZ2 3.59Å; L571-W597 HydrophobicContact CD1-CZ3 4.32Å; I584-W597 HydrophobicContact CG2-CZ3 4.33Å; L591-W597 HydrophobicContact CB-CB 4.1Å; L591-W597 HydrophobicContact CB-CD2 4.29Å; L591-W597 HydrophobicContact CB-CE3 4.18Å; L591-W597 HydrophobicContact CB-CG 4.28Å; L591-W597 HydrophobicContact CD1-CE3 3.86Å; L591-W597 HydrophobicContact CD1-CZ3 3.97Å; L591-W597 HydrophobicContact CD2-CD2 4.06Å; L591-W597 HydrophobicContact CD2-CE3 4.21Å; L591-W597 HydrophobicContact CD2-CG 4.45Å; L591-W597 HydrophobicContact CG-CE3 4.31Å; L591-W597 WeakPolarHBondContact O-CB 3.46Å; Q594-W597 PolarHBondContact O-N 3.33Å; Q594-W597 VanDerWaalsContact O-N 3.08Å; W597-L600 HydrophobicContact CE3-CD2 3.93Å; W597-L600 HydrophobicContact CZ3-CD2 3.85Å; W597-L600 WeakPolarHBondContact O-CB 3.43Å; W597-L600 PolarHBondContact O-N 3.28Å; W597-L601 WeakPolarHBondContact O-CB 3.39Å; W597-L601 VanDerWaalsContact O-CG 3.27Å; W597-L601 WeakPolarHBondContact O-CG 3.44Å; W597-L601 PolarHBondContact O-N 3.46Å |
| 598 | Q | 95.4 | Very high | 95.1 | Very high | 21 Ų | 21 | 41.4 Ų | 41.4 | 10% | 0.098 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.3 | -45.9 | 172 | -170.9 | -178.7 | -5.9 | 0 | 0 | 111.3 | A592 Q594 Q595 L596 L600 L601 V602 I626 T628 | A592-Q598 HydrophobicContact CB-CB 4.38Å; A592-Q598 HydrophobicContact CB-CG 4.35Å; A592-Q598 WeakPolarHBondContact O-CB 3.31Å; A592-Q598 PolarHBondContact O-OE1 3.35Å; Q594-Q598 PolarHBondContact O-N 3.13Å; Q595-Q598 WeakPolarHBondContact O-CB 3.27Å; Q595-Q598 PolarHBondContact O-N 2.96Å; L596-Q598 VanDerWaalsContact C-N 3.34Å; Q598-L600 VanDerWaalsContact C-N 3.31Å; Q598-L600 PolarHBondContact O-N 2.92Å; Q598-L601 PolarHBondContact O-N 3.36Å; Q598-V602 WeakPolarHBondContact O-CB 3.18Å; Q598-V602 VanDerWaalsContact O-CG2 3.31Å; Q598-V602 WeakPolarHBondContact O-CG2 3.49Å; Q598-V602 PolarHBondContact O-N 3.42Å; Q598-I626 PolarHBondContact NE2-O 3.43Å; Q598-T628 PolarHBondContact NE2-OG1 3.24Å; Q598-T628 PolarHBondContact OE1-OG1 3.48Å |
| 599 | N | 95.6 | Very high | 95.2 | Very high | 15 Ų | 15 | 41.4 Ų | 41.4 | 8% | 0.08 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.6 | -43.9 | 175.7 | -66.6 | -6.2 | 0 | 0 | 0 | 111.2 | F423 Q595 L596 V602 F603 | F423-N599 HydrophobicContact CE2-CB 4.23Å; F423-N599 HydrophobicContact CZ-CB 4.36Å; Q595-N599 PolarHBondContact NE2-OD1 3.33Å; Q595-N599 PolarHBondContact O-N 3.37Å; Q595-N599 PolarHBondContact O-OD1 3.1Å; L596-N599 PolarHBondContact O-N 3.24Å; N599-V602 PolarHBondContact O-N 3.4Å; N599-F603 WeakPolarHBondContact O-CB 3.37Å; N599-F603 PolarHBondContact O-N 2.86Å |
| 600 | L | 97.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61 | -46.9 | 175.5 | -176.8 | 68.6 | 0 | 0 | 0 | 111.6 | F423 L571 L575 I584 L596 W597 Q598 V602 F603 Y604 | F423-L600 HydrophobicContact CD1-CD1 3.58Å; F423-L600 HydrophobicContact CD2-CD1 4.06Å; F423-L600 HydrophobicContact CE1-CB 4.13Å; F423-L600 HydrophobicContact CE1-CD1 3.61Å; F423-L600 HydrophobicContact CE1-CG 4.43Å; F423-L600 VanDerWaalsContact CE2-CA 3.42Å; F423-L600 HydrophobicContact CE2-CB 4.04Å; F423-L600 HydrophobicContact CE2-CD1 4.08Å; F423-L600 HydrophobicContact CG-CD1 3.8Å; F423-L600 HydrophobicContact CZ-CB 3.65Å; F423-L600 HydrophobicContact CZ-CD1 3.84Å; F423-L600 HydrophobicContact CZ-CG 4.36Å; L571-L600 HydrophobicContact CD1-CD2 4.18Å; L571-L600 HydrophobicContact CD2-CD2 4.47Å; L575-L600 HydrophobicContact CD1-CD1 4.04Å; L575-L600 HydrophobicContact CD1-CD2 4.43Å; L575-L600 HydrophobicContact CD2-CD1 4.45Å; L575-L600 HydrophobicContact CD2-CD2 4.24Å; I584-L600 HydrophobicContact CD1-CD2 3.99Å; L596-L600 PolarHBondContact O-N 2.9Å; L596-L600 VanDerWaalsContact O-N 3.09Å; W597-L600 HydrophobicContact CE3-CD2 3.93Å; W597-L600 HydrophobicContact CZ3-CD2 3.85Å; W597-L600 WeakPolarHBondContact O-CB 3.43Å; W597-L600 PolarHBondContact O-N 3.28Å; Q598-L600 VanDerWaalsContact C-N 3.31Å; Q598-L600 PolarHBondContact O-N 2.92Å; L600-V602 PolarHBondContact O-N 2.99Å; L600-F603 WeakPolarHBondContact O-CB 3.36Å; L600-F603 PolarHBondContact O-N 3.38Å; L600-Y604 HydrophobicContact CD1-CD2 3.87Å; L600-Y604 HydrophobicContact CD1-CE2 3.47Å; L600-Y604 VanDerWaalsContact CD1-CE2 3.47Å; L600-Y604 HydrophobicContact CG-CD2 4.1Å; L600-Y604 HydrophobicContact CG-CE2 4.04Å; L600-Y604 VanDerWaalsContact O-CD2 3.23Å; L600-Y604 WeakPolarHBondContact O-CD2 3.49Å; L600-Y604 PolarHBondContact O-N 2.95Å |
| 601 | L | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.4 | -37.3 | -179.6 | -73.2 | 166.9 | 0 | 0 | 0 | 112.7 | F460 P588 L591 A592 W597 Q598 Y604 K605 L610 F625 | F460-L601 HydrophobicContact CD1-CD2 3.99Å; F460-L601 HydrophobicContact CD2-CD2 3.67Å; F460-L601 HydrophobicContact CE1-CD2 4.04Å; F460-L601 HydrophobicContact CE2-CD2 3.73Å; F460-L601 HydrophobicContact CG-CD2 3.82Å; F460-L601 HydrophobicContact CZ-CD2 3.93Å; P588-L601 HydrophobicContact CB-CD1 3.92Å; P588-L601 HydrophobicContact CB-CD2 3.82Å; L591-L601 HydrophobicContact CB-CD1 4.06Å; A592-L601 HydrophobicContact CB-CD1 3.78Å; W597-L601 WeakPolarHBondContact O-CB 3.39Å; W597-L601 VanDerWaalsContact O-CG 3.27Å; W597-L601 WeakPolarHBondContact O-CG 3.44Å; W597-L601 PolarHBondContact O-N 3.46Å; Q598-L601 PolarHBondContact O-N 3.36Å; L601-Y604 PolarHBondContact O-N 3.27Å; L601-K605 VanDerWaalsContact O-CB 3.31Å; L601-K605 WeakPolarHBondContact O-CB 3.27Å; L601-K605 PolarHBondContact O-N 3.27Å; L601-L610 HydrophobicContact CD2-CD1 4.16Å; L601-F625 HydrophobicContact CB-CE1 4.4Å; L601-F625 HydrophobicContact CB-CE2 3.87Å; L601-F625 HydrophobicContact CB-CZ 3.8Å; L601-F625 HydrophobicContact CD1-CE1 4.16Å; L601-F625 HydrophobicContact CD1-CZ 4.14Å; L601-F625 HydrophobicContact CD2-CZ 4.46Å; L601-F625 HydrophobicContact CG-CZ 4.36Å |
| 602 | V | 95.7 | Very high | 95.7 | Very high | 29 Ų | 29 | 37.3 Ų | 37.3 | 18% | 0.176 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.4 | -46.8 | 172.5 | 170 | 0 | 0 | 0 | 0 | 109.9 | Q598 N599 L600 Y604 K605 E606 F625 | Q598-V602 WeakPolarHBondContact O-CB 3.18Å; Q598-V602 VanDerWaalsContact O-CG2 3.31Å; Q598-V602 WeakPolarHBondContact O-CG2 3.49Å; Q598-V602 PolarHBondContact O-N 3.42Å; N599-V602 PolarHBondContact O-N 3.4Å; L600-V602 PolarHBondContact O-N 2.99Å; V602-Y604 PolarHBondContact O-N 3.1Å; V602-K605 PolarHBondContact O-N 2.93Å; V602-K605 VanDerWaalsContact O-N 3.16Å; V602-E606 HydrophobicContact CG1-CG 4.22Å; V602-E606 WeakPolarHBondContact O-CB 3.44Å; V602-E606 WeakPolarHBondContact O-CG 3.04Å; V602-E606 PolarHBondContact O-N 3.03Å; V602-F625 HydrophobicContact CG2-CB 4.29Å; V602-F625 HydrophobicContact CG2-CD2 4.26Å |
| 603 | F | 96.1 | Very high | 95.8 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 13% | 0.127 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.2 | -48.5 | 174.9 | 174.1 | -91 | 0 | 0 | 0 | 111.5 | A422 F423 M458 N599 L600 K605 E606 H607 | A422-F603 HydrophobicContact CB-CZ 4.18Å; F423-F603 HydrophobicContact CB-CD1 4.02Å; F423-F603 HydrophobicContact CB-CD2 4.4Å; F423-F603 HydrophobicContact CB-CE1 3.94Å; F423-F603 HydrophobicContact CB-CE2 4.33Å; F423-F603 HydrophobicContact CB-CG 4.26Å; F423-F603 HydrophobicContact CB-CZ 4.12Å; F423-F603 HydrophobicContact CD2-CB 3.76Å; F423-F603 HydrophobicContact CD2-CD1 4.12Å; F423-F603 HydrophobicContact CD2-CD2 4.17Å; F423-F603 AromaticContact CD2-CG 3.76Å; F423-F603 HydrophobicContact CD2-CG 3.76Å; F423-F603 HydrophobicContact CE2-CB 4.19Å; F423-F603 HydrophobicContact CG-CD1 4.42Å; F423-F603 HydrophobicContact CG-CG 4.44Å; M458-F603 HydrophobicContact CE-CE1 3.62Å; M458-F603 HydrophobicContact CE-CZ 4.16Å; N599-F603 WeakPolarHBondContact O-CB 3.37Å; N599-F603 PolarHBondContact O-N 2.86Å; L600-F603 WeakPolarHBondContact O-CB 3.36Å; L600-F603 PolarHBondContact O-N 3.38Å; F603-K605 VanDerWaalsContact C-N 3.34Å; F603-K605 PolarHBondContact O-N 3.05Å; F603-E606 PolarHBondContact O-N 2.89Å; F603-H607 AromaticContact CD2-CE1 3.58Å; F603-H607 AromaticContact CD2-ND1 3.86Å; F603-H607 AromaticContact CE2-CE1 3.36Å; F603-H607 WeakPolarHBondContact CE2-CE1 3.37Å; F603-H607 AromaticContact CE2-ND1 3.85Å; F603-H607 AromaticContact CE2-NE2 3.99Å; F603-H607 AromaticContact CZ-CE1 3.92Å; F603-H607 PolarHBondContact O-N 3.35Å; F603-H607 PolarHBondContact O-ND1 3.42Å |
| 604 | Y | 97.7 | Very high | 95.9 | Very high | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -40.3 | 177.4 | -86.3 | -116.2 | 0 | 0 | 0 | 111.7 | M458 F459 F460 L600 L601 V602 H607 H608 L609 L610 | M458-Y604 HydrophobicContact CB-CE1 4.41Å; M458-Y604 HydrophobicContact CG-CE1 4.19Å; M458-Y604 HydrophobicContact SD-CE2 4.38Å; F459-Y604 VanDerWaalsContact C-CE1 3.4Å; F460-Y604 HydrophobicContact CB-CD1 3.6Å; F460-Y604 HydrophobicContact CB-CE1 4.13Å; F460-Y604 HydrophobicContact CB-CG 4.2Å; F460-Y604 VanDerWaalsContact N-CD1 3.29Å; L600-Y604 HydrophobicContact CD1-CD2 3.87Å; L600-Y604 HydrophobicContact CD1-CE2 3.47Å; L600-Y604 VanDerWaalsContact CD1-CE2 3.47Å; L600-Y604 HydrophobicContact CG-CD2 4.1Å; L600-Y604 HydrophobicContact CG-CE2 4.04Å; L600-Y604 VanDerWaalsContact O-CD2 3.23Å; L600-Y604 WeakPolarHBondContact O-CD2 3.49Å; L600-Y604 PolarHBondContact O-N 2.95Å; L601-Y604 PolarHBondContact O-N 3.27Å; V602-Y604 PolarHBondContact O-N 3.1Å; Y604-H607 PolarHBondContact O-N 3.44Å; Y604-H608 PolarHBondContact O-N 2.83Å; Y604-L609 HydrophobicContact CD1-CB 3.69Å; Y604-L609 HydrophobicContact CE1-CB 4.48Å; Y604-L609 HydrophobicContact CG-CB 4.16Å; Y604-L609 WeakPolarHBondContact O-CA 3.34Å; Y604-L609 WeakPolarHBondContact O-CB 3.5Å; Y604-L609 PolarHBondContact O-N 3.27Å; Y604-L610 PolarHBondContact O-N 2.85Å |
| 605 | K | 95.5 | Very high | 95.9 | Very high | 56 Ų | 56 | 33.8 Ų | 33.8 | 24% | 0.243 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.8 | -45.4 | 178.6 | -175.3 | 176.9 | 179.9 | 178.9 | 0 | 112.4 | L601 V602 F603 H607 H608 L610 V623 F625 | L601-K605 VanDerWaalsContact O-CB 3.31Å; L601-K605 WeakPolarHBondContact O-CB 3.27Å; L601-K605 PolarHBondContact O-N 3.27Å; V602-K605 PolarHBondContact O-N 2.93Å; V602-K605 VanDerWaalsContact O-N 3.16Å; F603-K605 VanDerWaalsContact C-N 3.34Å; F603-K605 PolarHBondContact O-N 3.05Å; K605-H607 PolarHBondContact O-N 3.24Å; K605-H608 PolarHBondContact O-N 2.9Å; K605-L610 HydrophobicContact CB-CB 4.21Å; K605-L610 HydrophobicContact CB-CD2 4.22Å; K605-V623 WeakPolarHBondContact CE-O 3.23Å; K605-V623 PolarHBondContact NZ-O 3.18Å; K605-F625 HydrophobicContact CD-CD2 4.21Å; K605-F625 HydrophobicContact CD-CE2 4.23Å |
| 606 | E | 94.4 | Very high | 95.9 | Very high | 102 Ų | 102 | 37.1 Ų | 37.1 | 48% | 0.477 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64.6 | -20.9 | -179.6 | -72.4 | 178.6 | 166.7 | 0 | 0 | 112.9 | V602 F603 R627 | V602-E606 HydrophobicContact CG1-CG 4.22Å; V602-E606 WeakPolarHBondContact O-CB 3.44Å; V602-E606 WeakPolarHBondContact O-CG 3.04Å; V602-E606 PolarHBondContact O-N 3.03Å; F603-E606 PolarHBondContact O-N 2.89Å; E606-R627 IonicContact OE1-CZ 2.86Å; E606-R627 IonicContact OE1-NE 3.53Å; E606-R627 IonicContact OE1-NH2 3.73Å; E606-R627 PolarHBondContact OE1-NH2 2.9Å |
| 607 | H | 95.9 | Very high | 95.8 | Very high | 80 Ų | 80 | 39.4 Ų | 39.4 | 37% | 0.37 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 13.2 | 175 | -63.9 | 81.3 | 0 | 0 | 0 | 113.3 | E453 F603 Y604 K605 L609 | E453-H607 WeakPolarHBondContact CG-O 3.43Å; F603-H607 AromaticContact CD2-CE1 3.58Å; F603-H607 AromaticContact CD2-ND1 3.86Å; F603-H607 AromaticContact CE2-CE1 3.36Å; F603-H607 WeakPolarHBondContact CE2-CE1 3.37Å; F603-H607 AromaticContact CE2-ND1 3.85Å; F603-H607 AromaticContact CE2-NE2 3.99Å; F603-H607 AromaticContact CZ-CE1 3.92Å; F603-H607 PolarHBondContact O-N 3.35Å; F603-H607 PolarHBondContact O-ND1 3.42Å; Y604-H607 PolarHBondContact O-N 3.44Å; K605-H607 PolarHBondContact O-N 3.24Å; H607-L609 HydrophobicContact CB-CD1 3.88Å; H607-L609 HydrophobicContact CB-CG 3.98Å; H607-L609 WeakPolarHBondContact O-CG 3.33Å; H607-L609 PolarHBondContact O-N 2.96Å |
| 608 | H | 96.8 | Very high | 95.7 | Very high | 91 Ų | 91 | 41.3 Ų | 41.3 | 42% | 0.421 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 23.1 | -178.3 | -50.1 | -74.8 | 0 | 0 | 0 | 115 | E453 Y604 K605 E620 | E453-H608 HydrophobicContact CG-CB 4.15Å; E453-H608 WeakPolarHBondContact OE1-CB 3.48Å; Y604-H608 PolarHBondContact O-N 2.83Å; K605-H608 PolarHBondContact O-N 2.9Å; H608-E620 IonicContact CE1-OE2 3.03Å; H608-E620 IonicContact CG-OE2 2.64Å; H608-E620 IonicContact ND1-OE1 3.87Å; H608-E620 IonicContact ND1-OE2 2.64Å; H608-E620 PolarHBondContact ND1-OE2 3.21Å |
| 609 | L | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -100.5 | -1.5 | -176.5 | -58.9 | 177 | 0 | 0 | 0 | 113.8 | E453 M458 F459 F460 Y604 H607 | E453-L609 HydrophobicContact CB-CD2 3.72Å; E453-L609 HydrophobicContact CG-CD2 3.81Å; M458-L609 HydrophobicContact CE-CD1 3.58Å; M458-L609 HydrophobicContact CG-CD1 3.84Å; M458-L609 WeakPolarHBondContact O-CD2 3.3Å; F459-L609 CarbonylContact C-O 3.53Å; F459-L609 WeakPolarHBondContact CA-O 3.48Å; F459-L609 HydrophobicContact CB-CB 4.48Å; F459-L609 VanDerWaalsContact CB-O 3.28Å; F459-L609 WeakPolarHBondContact CB-O 3.38Å; F460-L609 PolarHBondContact N-O 3.28Å; Y604-L609 HydrophobicContact CD1-CB 3.69Å; Y604-L609 HydrophobicContact CE1-CB 4.48Å; Y604-L609 HydrophobicContact CG-CB 4.16Å; Y604-L609 WeakPolarHBondContact O-CA 3.34Å; Y604-L609 WeakPolarHBondContact O-CB 3.5Å; Y604-L609 PolarHBondContact O-N 3.27Å; H607-L609 HydrophobicContact CB-CD1 3.88Å; H607-L609 HydrophobicContact CB-CG 3.98Å; H607-L609 WeakPolarHBondContact O-CG 3.33Å; H607-L609 PolarHBondContact O-N 2.96Å | ||
| 610 | L | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 106.7 | 172 | 179.3 | 62.1 | 0 | 0 | 0 | 109.5 | F460 L601 Y604 K605 S621 F625 | F460-L610 HydrophobicContact CB-CD1 3.92Å; F460-L610 HydrophobicContact CD1-CD1 3.36Å; F460-L610 HydrophobicContact CE1-CD1 4.2Å; F460-L610 HydrophobicContact CG-CD1 3.9Å; L601-L610 HydrophobicContact CD2-CD1 4.16Å; Y604-L610 PolarHBondContact O-N 2.85Å; K605-L610 HydrophobicContact CB-CB 4.21Å; K605-L610 HydrophobicContact CB-CD2 4.22Å; L610-S621 PolarHBondContact O-N 2.75Å; L610-F625 HydrophobicContact CD2-CE2 3.58Å; L610-F625 HydrophobicContact CD2-CZ 3.71Å |
| 611 | V | 98.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 157.6 | -169.4 | -60.4 | 0 | 0 | 0 | 0 | 113.2 | P452 F459 F460 L462 L618 K619 | P452-V611 HydrophobicContact CB-CG1 4.02Å; P452-V611 HydrophobicContact CG-CG1 3.89Å; F459-V611 HydrophobicContact CB-CG2 4.22Å; F459-V611 HydrophobicContact CD2-CG2 3.34Å; F459-V611 HydrophobicContact CE2-CG2 3.94Å; F459-V611 HydrophobicContact CG-CG2 4.07Å; F460-V611 WeakPolarHBondContact O-CG2 3.16Å; F460-V611 PolarHBondContact O-N 2.85Å; L462-V611 WeakPolarHBondContact CB-O 3.13Å; L462-V611 PolarHBondContact N-O 2.82Å; V611-L618 HydrophobicContact CB-CB 4.4Å; V611-L618 HydrophobicContact CB-CD2 4.48Å; V611-L618 HydrophobicContact CG2-CD1 4.25Å; V611-L618 HydrophobicContact CG2-CD2 4.02Å; V611-K619 CarbonylContact C-O 3.11Å; V611-K619 VanDerWaalsContact CA-O 3.22Å; V611-K619 WeakPolarHBondContact CA-O 3.14Å; V611-K619 WeakPolarHBondContact CB-O 3.28Å |
| 612 | E | 96.9 | Very high | 95.2 | Very high | 47 Ų | 47 | 54 Ų | 54 | 22% | 0.22 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 173.3 | 177.2 | 65 | -179.5 | -141.3 | 0 | 0 | 111.2 | L462 K619 S621 | L462-E612 HydrophobicContact CB-CB 4.08Å; L462-E612 HydrophobicContact CD2-CB 4.5Å; E612-K619 HydrophobicContact CG-CG 3.94Å; E612-K619 PolarHBondContact N-O 3.48Å; E612-K619 PolarHBondContact O-N 2.61Å; E612-K619 WeakPolarHBondContact OE1-CE 3.19Å; E612-K619 IonicContact OE1-NZ 3.35Å; E612-K619 PolarHBondContact OE1-NZ 2.79Å; E612-S621 WeakPolarHBondContact OE2-CB 3.48Å; E612-S621 PolarHBondContact OE2-OG 3.38Å |
| 613 | G | 94.8 | Very high | 94.8 | Very high | 42 Ų | 42 | 53.9 Ų | 53.9 | 43% | 0.433 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 95.5 | -164.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.3 | W461 | W461-G613 WeakPolarHBondContact CZ2-O 3.02Å; W461-G613 PolarHBondContact NE1-O 3.23Å |
| 614 | S | 93.5 | Very high | 94.1 | Very high | 68 Ų | 68 | 60.7 Ų | 60.7 | 48% | 0.476 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 151.6 | -179 | 80.9 | 0 | 0 | 0 | 0 | 111.2 | N616 A617 L618 | S614-N616 PolarHBondContact O-N 2.63Å; S614-N616 VanDerWaalsContact O-N 3.08Å; S614-A617 CarbonylContact O-C 3.49Å; S614-A617 PolarHBondContact O-N 2.86Å; S614-A617 PolarHBondContact OG-N 3Å; S614-L618 PolarHBondContact O-N 3.02Å; S614-L618 VanDerWaalsContact O-N 3.09Å |
| 615 | L | 93.7 | Very high | 93.3 | Very high | 28 Ų | 28 | 62.3 Ų | 62.3 | 15% | 0.147 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.5 | -179.3 | -176.4 | 57.5 | 0 | 0 | 0 | 113.9 | F449 W461 K487 L488 K491 L618 | F449-L615 HydrophobicContact CZ-CD1 4.35Å; W461-L615 HydrophobicContact CH2-CB 3.78Å; W461-L615 HydrophobicContact CH2-CD1 4.48Å; W461-L615 HydrophobicContact CZ2-CB 4.24Å; W461-L615 HydrophobicContact CZ3-CB 4.43Å; W461-L615 HydrophobicContact CZ3-CD1 4.37Å; K487-L615 HydrophobicContact CB-CD2 4.27Å; L488-L615 HydrophobicContact CD2-CD1 3.49Å; L488-L615 VanDerWaalsContact CD2-CD1 3.49Å; L488-L615 HydrophobicContact CD2-CD2 3.93Å; L488-L615 HydrophobicContact CD2-CG 4.37Å; K491-L615 HydrophobicContact CB-CD2 3.95Å; K491-L615 HydrophobicContact CG-CD2 4.25Å; L615-L618 HydrophobicContact CD1-CD1 4.26Å |
| 616 | N | 90.7 | Very high | 92 | Very high | 141 Ų | 141 | 66.6 Ų | 66.6 | 75% | 0.754 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -4.7 | 179 | -63.2 | -29.8 | 0 | 0 | 0 | 113.4 | S614 | S614-N616 PolarHBondContact O-N 2.63Å; S614-N616 VanDerWaalsContact O-N 3.08Å |
| 617 | A | 93 | Very high | 90.2 | Very high | 66 Ų | 66 | 71.1 Ų | 71.1 | 55% | 0.545 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 55.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | S614 | S614-A617 CarbonylContact O-C 3.49Å; S614-A617 PolarHBondContact O-N 2.86Å; S614-A617 PolarHBondContact OG-N 3Å |
| 618 | L | 95.8 | Very high | 88.3 | Confident | 45 Ų | 45 | 70.2 Ų | 70.2 | 24% | 0.236 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 140.6 | 175.3 | -69 | 172.3 | 0 | 0 | 0 | 109.2 | F459 W461 V611 S614 L615 | F459-L618 HydrophobicContact CE2-CD1 3.87Å; F459-L618 HydrophobicContact CZ-CD1 3.86Å; W461-L618 HydrophobicContact CD2-CD2 4.46Å; W461-L618 HydrophobicContact CG-CD2 4.47Å; W461-L618 HydrophobicContact CZ2-CD2 4.49Å; V611-L618 HydrophobicContact CB-CB 4.4Å; V611-L618 HydrophobicContact CB-CD2 4.48Å; V611-L618 HydrophobicContact CG2-CD1 4.25Å; V611-L618 HydrophobicContact CG2-CD2 4.02Å; S614-L618 PolarHBondContact O-N 3.02Å; S614-L618 VanDerWaalsContact O-N 3.09Å; L615-L618 HydrophobicContact CD1-CD1 4.26Å |
| 619 | K | 95.5 | Very high | 86.3 | Confident | 124 Ų | 124 | 73.1 Ų | 73.1 | 54% | 0.539 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 152.3 | 174.3 | 61.4 | 177.7 | -174.6 | 167 | 0 | 109.6 | V611 E612 S621 | V611-K619 CarbonylContact C-O 3.11Å; V611-K619 VanDerWaalsContact CA-O 3.22Å; V611-K619 WeakPolarHBondContact CA-O 3.14Å; V611-K619 WeakPolarHBondContact CB-O 3.28Å; E612-K619 HydrophobicContact CG-CG 3.94Å; E612-K619 PolarHBondContact N-O 3.48Å; E612-K619 PolarHBondContact O-N 2.61Å; E612-K619 WeakPolarHBondContact OE1-CE 3.19Å; E612-K619 IonicContact OE1-NZ 3.35Å; E612-K619 PolarHBondContact OE1-NZ 2.79Å; K619-S621 PolarHBondContact O-N 3.31Å |
| 620 | E | 96.1 | Very high | 84 | Confident | 93 Ų | 93 | 78.4 Ų | 78.4 | 44% | 0.435 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 136.8 | 174 | -167.6 | -178.2 | 154.1 | 0 | 0 | 110.5 | H608 | H608-E620 IonicContact CE1-OE2 3.03Å; H608-E620 IonicContact CG-OE2 2.64Å; H608-E620 IonicContact ND1-OE1 3.87Å; H608-E620 IonicContact ND1-OE2 2.64Å; H608-E620 PolarHBondContact ND1-OE2 3.21Å |
| 621 | S | 94.2 | Very high | 81.7 | Confident | 2 Ų | 2 | 85.9 Ų | 85.9 | 1% | 0.014 | 46% | 0.463 | C | S | . | . | trans | -84.6 | 134.3 | -179.2 | -171.9 | 0 | 0 | 0 | 0 | 111.6 | L462 L610 E612 K619 V623 | L462-S621 WeakPolarHBondContact CD1-OG 3.48Å; L610-S621 PolarHBondContact O-N 2.75Å; E612-S621 WeakPolarHBondContact OE2-CB 3.48Å; E612-S621 PolarHBondContact OE2-OG 3.38Å; K619-S621 PolarHBondContact O-N 3.31Å; S621-V623 PolarHBondContact O-N 3.13Å; S621-V623 WeakPolarHBondContact OG-CG2 3.24Å | ||
| 622 | A | 88.3 | Confident | 79.2 | Confident | 85 Ų | 85 | 90.6 Ų | 90.6 | 70% | 0.702 | 49% | 0.492 | S | S | * | . | trans | -79.1 | 3.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | Q624 | A622-Q624 PolarHBondContact O-N 2.87Š| ||
| 623 | V | 87.5 | Confident | 76.9 | Confident | 26 Ų | 26 | 90.7 Ų | 90.7 | 16% | 0.158 | 49% | 0.494 | C | S | . | . | trans | -56.9 | 125.2 | -178.7 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | L462 K605 S621 F625 | L462-V623 HydrophobicContact CD1-CG2 3.68Å; K605-V623 WeakPolarHBondContact CE-O 3.23Å; K605-V623 PolarHBondContact NZ-O 3.18Å; S621-V623 PolarHBondContact O-N 3.13Å; S621-V623 WeakPolarHBondContact OG-CG2 3.24Å; V623-F625 HydrophobicContact CG1-CD1 4.29Å; V623-F625 HydrophobicContact CG1-CE1 3.67Å; V623-F625 HydrophobicContact CG1-CE2 4.46Å; V623-F625 HydrophobicContact CG1-CZ 3.76Å | ||
| 624 | Q | 81.9 | Confident | 74.6 | Confident | 172 Ų | 172 | 92.9 Ų | 92.9 | 80% | 0.804 | 50% | 0.495 | S | S | * | . | trans | -96.6 | 136.7 | 177.3 | -63.6 | -177.2 | -3 | 0 | 0 | 110.5 | A622 | A622-Q624 PolarHBondContact O-N 2.87Š| ||
| 625 | F | 80.6 | Confident | 72.4 | Confident | 37 Ų | 37 | 90.4 Ų | 90.4 | 16% | 0.162 | 48% | 0.477 | C | S | . | . | trans | -112.8 | 138.8 | 172.3 | -52.9 | -67.8 | 0 | 0 | 0 | 108.5 | P588 A592 L601 V602 K605 L610 V623 R627 | P588-F625 HydrophobicContact CB-CE1 4.21Å; P588-F625 HydrophobicContact CB-CZ 4.01Å; A592-F625 HydrophobicContact CB-CD1 3.6Å; A592-F625 HydrophobicContact CB-CE1 3.66Å; L601-F625 HydrophobicContact CB-CE1 4.4Å; L601-F625 HydrophobicContact CB-CE2 3.87Å; L601-F625 HydrophobicContact CB-CZ 3.8Å; L601-F625 HydrophobicContact CD1-CE1 4.16Å; L601-F625 HydrophobicContact CD1-CZ 4.14Å; L601-F625 HydrophobicContact CD2-CZ 4.46Å; L601-F625 HydrophobicContact CG-CZ 4.36Å; V602-F625 HydrophobicContact CG2-CB 4.29Å; V602-F625 HydrophobicContact CG2-CD2 4.26Å; K605-F625 HydrophobicContact CD-CD2 4.21Å; K605-F625 HydrophobicContact CD-CE2 4.23Å; L610-F625 HydrophobicContact CD2-CE2 3.58Å; L610-F625 HydrophobicContact CD2-CZ 3.71Å; V623-F625 HydrophobicContact CG1-CD1 4.29Å; V623-F625 HydrophobicContact CG1-CE1 3.67Å; V623-F625 HydrophobicContact CG1-CE2 4.46Å; V623-F625 HydrophobicContact CG1-CZ 3.76Å; F625-R627 PolarHBondContact O-N 3.27Å | ||
| 626 | I | 67.3 | Low | 70 | Confident | 147 Ų | 147 | 94.2 Ų | 94.2 | 75% | 0.754 | 49% | 0.494 | S | S | * | . | trans | -70.4 | 122.8 | 172.2 | -57.8 | 173.1 | 0 | 0 | 0 | 106.6 | Q598 T628 | Q598-I626 PolarHBondContact NE2-O 3.43Å; I626-T628 PolarHBondContact O-N 3.36Å | ||
| 627 | R | 58.2 | Low | 67.5 | Low | 197 Ų | 197 | 91 Ų | 91 | 74% | 0.743 | 48% | 0.482 | S | S | * | . | trans | -66.2 | 124 | 175.6 | -86.5 | -175.5 | 171.7 | 177.8 | -2.6 | 109.7 | E606 F625 | E606-R627 IonicContact OE1-CZ 2.86Å; E606-R627 IonicContact OE1-NE 3.53Å; E606-R627 IonicContact OE1-NH2 3.73Å; E606-R627 PolarHBondContact OE1-NH2 2.9Å; F625-R627 PolarHBondContact O-N 3.27Å | ||
| 628 | T | 56.2 | Low | 64.9 | Low | 61 Ų | 61 | 91.3 Ų | 91.3 | 37% | 0.374 | 47% | 0.474 | S | S | . | . | trans | -104.3 | 150.2 | 162.2 | 46.6 | 0 | 0 | 0 | 0 | 108.4 | Q595 Q598 I626 V630 | Q595-T628 VanDerWaalsContact CD-OG1 3.23Å; Q595-T628 PolarHBondContact NE2-OG1 3.07Å; Q595-T628 PolarHBondContact OE1-OG1 3.1Å; Q598-T628 PolarHBondContact NE2-OG1 3.24Å; Q598-T628 PolarHBondContact OE1-OG1 3.48Å; I626-T628 PolarHBondContact O-N 3.36Å; T628-V630 PolarHBondContact O-N 3.38Å | ||
| 629 | N | 54 | Low | 62 | Low | 151 Ų | 151 | 90.2 Ų | 90.2 | 81% | 0.807 | 47% | 0.471 | S | S | * | . | trans | -59.3 | 126.8 | 178.7 | -77.7 | -17.8 | 0 | 0 | 0 | 109.7 | Q631 | N629-Q631 VanDerWaalsContact C-N 3.34Å; N629-Q631 PolarHBondContact O-N 2.93Å | ||
| 630 | V | 49.8 | Very low | 59.1 | Low | 112 Ų | 112 | 86.9 Ų | 86.9 | 68% | 0.679 | 46% | 0.463 | S | S | * | . | trans | -67.9 | 94 | 174.4 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | T628 | T628-V630 PolarHBondContact O-N 3.38Š| ||
| 631 | Q | 48.6 | Very low | 56 | Low | 157 Ų | 157 | 86.9 Ų | 86.9 | 73% | 0.734 | 47% | 0.473 | S | S | * | . | trans | -79.1 | 129.5 | 162.1 | -72.5 | -176.6 | -9.9 | 0 | 0 | 107.6 | N629 I633 | N629-Q631 VanDerWaalsContact C-N 3.34Å; N629-Q631 PolarHBondContact O-N 2.93Å; Q631-I633 PolarHBondContact O-N 2.8Å; Q631-I633 VanDerWaalsContact O-N 3.1Å | ||
| 632 | V | 46.7 | Very low | 53.1 | Low | 102 Ų | 102 | 89.9 Ų | 89.9 | 62% | 0.618 | 49% | 0.488 | S | S | * | . | trans | -54.4 | 119.3 | 162 | 178.5 | 0 | 0 | 0 | 0 | 105.6 | D634 | V632-D634 VanDerWaalsContact C-N 3.33Å; V632-D634 PolarHBondContact O-N 3.39Å | ||
| 633 | I | 47.9 | Very low | 50.3 | Low | 49 Ų | 49 | 88.9 Ų | 88.9 | 25% | 0.251 | 49% | 0.487 | S | S | . | . | trans | -66.4 | 105.1 | 173.1 | -59.6 | 176.9 | 0 | 0 | 0 | 104.6 | L596 Q631 L635 | L596-I633 HydrophobicContact CB-CD1 3.8Å; L596-I633 HydrophobicContact CD1-CD1 3.76Å; L596-I633 HydrophobicContact CD2-CD1 4.08Å; L596-I633 HydrophobicContact CG-CD1 4.07Å; Q631-I633 PolarHBondContact O-N 2.8Å; Q631-I633 VanDerWaalsContact O-N 3.1Å; I633-L635 HydrophobicContact CG2-CD2 4.45Å; I633-L635 HydrophobicContact CG2-CG 4.24Å; I633-L635 PolarHBondContact O-N 2.86Å | ||
| 634 | D | 46.2 | Very low | 47.4 | Very low | 88 Ų | 88 | 95.4 Ų | 95.4 | 47% | 0.471 | 51% | 0.513 | S | S | . | . | trans | -67.3 | 90.3 | 170.4 | -174.6 | 8.9 | 0 | 0 | 0 | 107.7 | V632 Q636 C637 | V632-D634 VanDerWaalsContact C-N 3.33Å; V632-D634 PolarHBondContact O-N 3.39Å; D634-Q636 PolarHBondContact O-N 2.86Å; D634-Q636 WeakPolarHBondContact OD1-CA 3.49Å; D634-Q636 WeakPolarHBondContact OD1-CB 3.44Å; D634-Q636 WeakPolarHBondContact OD1-CG 3.5Å; D634-Q636 PolarHBondContact OD1-N 2.97Å; D634-C637 HydrophobicContact CB-CB 4.27Å; D634-C637 VanDerWaalsContact O-CB 3.29Å; D634-C637 WeakPolarHBondContact O-CB 3.28Å; D634-C637 PolarHBondContact O-N 3.13Å | ||
| 635 | L | 48.1 | Very low | 44.7 | Very low | 16 Ų | 16 | 91 Ų | 91 | 8% | 0.084 | 50% | 0.502 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -17.7 | 175.4 | -76.1 | 153.7 | 0 | 0 | 0 | 111 | C376 F428 P568 I633 C637 L638 | C376-L635 HydrophobicContact CB-CD1 4.33Å; F428-L635 HydrophobicContact CB-CD1 4.27Å; F428-L635 HydrophobicContact CD1-CD1 3.76Å; F428-L635 HydrophobicContact CG-CD1 4.49Å; P568-L635 HydrophobicContact CB-CD2 4.19Å; P568-L635 HydrophobicContact CG-CD2 4.1Å; I633-L635 HydrophobicContact CG2-CD2 4.45Å; I633-L635 HydrophobicContact CG2-CG 4.24Å; I633-L635 PolarHBondContact O-N 2.86Å; L635-C637 PolarHBondContact O-N 3.15Å; L635-L638 HydrophobicContact CD2-CD1 3.87Å; L635-L638 PolarHBondContact O-N 3.05Å |
| 636 | Q | 44.2 | Very low | 42.2 | Very low | 107 Ų | 107 | 98.6 Ų | 98.6 | 50% | 0.5 | 54% | 0.537 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -33 | 169.9 | -55.3 | -175.4 | -15.7 | 0 | 0 | 110.7 | D634 L638 A639 | D634-Q636 PolarHBondContact O-N 2.86Å; D634-Q636 WeakPolarHBondContact OD1-CA 3.49Å; D634-Q636 WeakPolarHBondContact OD1-CB 3.44Å; D634-Q636 WeakPolarHBondContact OD1-CG 3.5Å; D634-Q636 PolarHBondContact OD1-N 2.97Å; Q636-L638 VanDerWaalsContact C-N 3.34Å; Q636-L638 PolarHBondContact O-N 2.67Å; Q636-A639 WeakPolarHBondContact O-CB 3.38Å; Q636-A639 PolarHBondContact O-N 2.99Å |
| 637 | C | 36.7 | Very low | 40.3 | Very low | 75 Ų | 75 | 98.7 Ų | 98.7 | 51% | 0.507 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -75.3 | -18.7 | -178.4 | -151 | 0 | 0 | 0 | 0 | 113.6 | D634 L635 A639 C640 S641 | D634-C637 HydrophobicContact CB-CB 4.27Å; D634-C637 VanDerWaalsContact O-CB 3.29Å; D634-C637 WeakPolarHBondContact O-CB 3.28Å; D634-C637 PolarHBondContact O-N 3.13Å; L635-C637 PolarHBondContact O-N 3.15Å; C637-A639 PolarHBondContact O-N 3.27Å; C637-C640 WeakPolarHBondContact O-CA 3.3Å; C637-C640 WeakPolarHBondContact O-CB 3.46Å; C637-C640 PolarHBondContact O-N 3.45Å; C637-S641 PolarHBondContact O-N 2.79Å |
| 638 | L | 39.3 | Very low | 38.9 | Very low | 72 Ų | 72 | 94.9 Ų | 94.9 | 38% | 0.377 | 53% | 0.534 | S | S | . | . | G | 310 helix | trans | -64.4 | -20.9 | 169.6 | -102.7 | 136 | 0 | 0 | 0 | 112.7 | P568 L635 Q636 S641 | P568-L638 HydrophobicContact CG-CD1 3.75Å; L635-L638 HydrophobicContact CD2-CD1 3.87Å; L635-L638 PolarHBondContact O-N 3.05Å; Q636-L638 VanDerWaalsContact C-N 3.34Å; Q636-L638 PolarHBondContact O-N 2.67Å; L638-S641 PolarHBondContact O-OG 3.45Å |
| 639 | A | 35.6 | Very low | 37.5 | Very low | 21 Ų | 21 | 98.3 Ų | 98.3 | 17% | 0.174 | 56% | 0.559 | C | S | . | * | G | 310 helix | trans | -78.1 | -21.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V402 Q636 C637 | V402-A639 HydrophobicContact CG2-CB 3.42Å; V402-A639 VanDerWaalsContact CG2-CB 3.42Å; Q636-A639 WeakPolarHBondContact O-CB 3.38Å; Q636-A639 PolarHBondContact O-N 2.99Å; C637-A639 PolarHBondContact O-N 3.27Å |
| 640 | C | 33.3 | Very low | 36.1 | Very low | 55 Ų | 55 | 93.8 Ų | 93.8 | 37% | 0.372 | 55% | 0.548 | S | S | . | . | G | 310 helix | trans | -85 | -18.7 | -179.9 | -72.6 | 0 | 0 | 0 | 0 | 114.3 | C637 L642 G643 | C637-C640 WeakPolarHBondContact O-CA 3.3Å; C637-C640 WeakPolarHBondContact O-CB 3.46Å; C637-C640 PolarHBondContact O-N 3.45Å; C640-L642 PolarHBondContact O-N 3.2Å; C640-G643 PolarHBondContact O-N 3.05Å |
| 641 | S | 31.1 | Very low | 34.8 | Very low | 93 Ų | 93 | 95 Ų | 95 | 65% | 0.65 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -70.2 | 2.1 | -178.1 | 59.9 | 0 | 0 | 0 | 0 | 114.8 | C637 L638 | C637-S641 PolarHBondContact O-N 2.79Å; L638-S641 PolarHBondContact O-OG 3.45Å |
| 642 | L | 34.2 | Very low | 33.8 | Very low | 64 Ų | 64 | 100.5 Ų | 100.5 | 34% | 0.335 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -95.3 | -1.6 | 175.7 | -77.9 | 162.5 | 0 | 0 | 0 | 114.4 | R389 C640 | R389-L642 WeakPolarHBondContact O-CD2 3.37Å; C640-L642 PolarHBondContact O-N 3.2Å |
| 643 | G | 29.7 | Very low | 33.2 | Very low | 65 Ų | 65 | 100.5 Ų | 100.5 | 67% | 0.67 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.4 | -11.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | C640 S645 | C640-G643 PolarHBondContact O-N 3.05Å; G643-S645 PolarHBondContact O-N 3.18Å |
| 644 | K | 26.2 | Very low | 32.4 | Very low | 162 Ų | 162 | 103.2 Ų | 103.2 | 70% | 0.704 | 60% | 0.597 | S | S | * | * | trans | -85.3 | 104.9 | 179.1 | -71.3 | -168.4 | 175.9 | -173.9 | 0 | 110.2 | ||||
| 645 | S | 25.5 | Very low | 31.7 | Very low | 81 Ų | 81 | 104 Ų | 104 | 57% | 0.566 | 60% | 0.604 | S | S | * | * | trans | -53.1 | 142.6 | 157.1 | 46.2 | 0 | 0 | 0 | 0 | 109.4 | G643 N647 | G643-S645 PolarHBondContact O-N 3.18Å; S645-N647 PolarHBondContact O-N 2.8Å | ||
| 646 | E | 27.4 | Very low | 30.7 | Very low | 196 Ų | 196 | 109.2 Ų | 109.2 | 92% | 0.916 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | -0.9 | -175.5 | -76.8 | 176.4 | 147.3 | 0 | 0 | 116.5 | ||
| 647 | N | 28 | Very low | 29.8 | Very low | 148 Ų | 148 | 109.3 Ų | 109.3 | 79% | 0.791 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -3.9 | -175.8 | -79.7 | -5.1 | 0 | 0 | 0 | 116.2 | S645 | S645-N647 PolarHBondContact O-N 2.8Š|
| 648 | D | 28.3 | Very low | 29.4 | Very low | 118 Ų | 118 | 111.6 Ų | 111.6 | 63% | 0.631 | 65% | 0.652 | S | S | * | * | trans | -101.7 | 14.7 | -176.1 | -79.6 | -12.2 | 0 | 0 | 0 | 115.3 | G650 | D648-G650 PolarHBondContact O-N 3.44Å; D648-G650 VanDerWaalsContact O-N 3.09Å | ||
| 649 | C | 26.9 | Very low | 28.7 | Very low | 133 Ų | 133 | 114.4 Ų | 114.4 | 90% | 0.899 | 67% | 0.672 | S | S | * | * | trans | -83.3 | 59.5 | 162.6 | -78.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 650 | G | 24.5 | Very low | 28.2 | Very low | 56 Ų | 56 | 121.6 Ų | 121.6 | 58% | 0.577 | 71% | 0.71 | S | S | * | * | trans | -91.5 | 108.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | D648 | D648-G650 PolarHBondContact O-N 3.44Å; D648-G650 VanDerWaalsContact O-N 3.09Å | ||
| 651 | T | 23.2 | Very low | 27.7 | Very low | 137 Ų | 137 | 127.2 Ų | 127.2 | 84% | 0.84 | 74% | 0.738 | S | S | * | * | trans | 36.6 | 95.2 | 153.3 | 49.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 652 | Q | 27.7 | Very low | 27.4 | Very low | 273 Ų | 273 | 130.3 Ų | 130.3 | 100% | 1.276 | 75% | 0.746 | S | S | * | * | trans | -160.4 | 0 | 135.2 | -109.8 | 175.8 | 20.4 | 0 | 0 | 110.6 |
Retrieved 652 of 652 residues in 518.4 ms
(Link to these results)