| 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 | 42.9 | Very low | 78.9 | Confident | 219 Ų | 219 | 91.4 Ų | 91.4 | 100% | 1.079 | 44% | 0.438 | S | S | * | . | 0 | 96 | 0 | -82.6 | 177.8 | -177.9 | 0 | 0 | 108.8 | R3 | M1-R3 PolarHBondContact O-N 3.44Š| |||
| 2 | A | 50.1 | Low | 80 | Confident | 106 Ų | 106 | 93.3 Ų | 93.3 | 88% | 0.876 | 45% | 0.451 | S | S | * | . | trans | -73.2 | 85 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | S4 | A2-S4 PolarHBondContact O-N 3.4Š| ||
| 3 | R | 58.4 | Low | 81 | Confident | 154 Ų | 154 | 91.7 Ų | 91.7 | 58% | 0.581 | 44% | 0.443 | S | S | * | . | trans | -55.5 | 135.9 | 170.6 | -75.6 | -177.5 | 175.8 | 169.7 | -1.3 | 106.8 | M1 F5 F156 | M1-R3 PolarHBondContact O-N 3.44Å; R3-F5 PolarHBondContact O-N 3.23Å; R3-F156 WeakPolarHBondContact O-CE1 3.21Å; R3-F156 VanDerWaalsContact O-CZ 3.26Å; R3-F156 WeakPolarHBondContact O-CZ 3.41Å | ||
| 4 | S | 81.3 | Confident | 82 | Confident | 59 Ų | 59 | 85.2 Ų | 85.2 | 41% | 0.413 | 41% | 0.412 | S | S | . | . | trans | -52.6 | 130.1 | 168.3 | 54.4 | 0 | 0 | 0 | 0 | 108.3 | A2 W6 R7 S8 | A2-S4 PolarHBondContact O-N 3.4Å; S4-W6 PolarHBondContact O-N 2.92Å; S4-W6 VanDerWaalsContact O-N 3.07Å; S4-R7 PolarHBondContact O-N 2.92Å; S4-R7 WeakPolarHBondContact OG-CB 3.28Å; S4-R7 WeakPolarHBondContact OG-CD 3.37Å; S4-R7 WeakPolarHBondContact OG-CG 3.48Å; S4-S8 PolarHBondContact O-N 2.73Å | ||
| 5 | F | 87.8 | Confident | 83 | Confident | 23 Ų | 23 | 82.5 Ų | 82.5 | 10% | 0.101 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -44.7 | -44.6 | 178.5 | 167.2 | -101.9 | 0 | 0 | 0 | 111.9 | R3 R7 S8 N10 Y11 L15 F156 P201 P202 | R3-F5 PolarHBondContact O-N 3.23Å; F5-R7 PolarHBondContact O-N 3.33Å; F5-S8 VanDerWaalsContact O-CB 3.3Å; F5-S8 WeakPolarHBondContact O-CB 3.23Å; F5-S8 PolarHBondContact O-N 3.18Å; F5-S8 PolarHBondContact O-OG 3.04Å; F5-N10 HydrophobicContact CE2-CB 4.34Å; F5-Y11 AromaticContact CE1-CD2 3.72Å; F5-Y11 HydrophobicContact CE1-CD2 3.72Å; F5-Y11 HydrophobicContact CE1-CG 4.21Å; F5-Y11 HydrophobicContact CZ-CD2 4.05Å; F5-Y11 HydrophobicContact CZ-CG 4.46Å; F5-Y11 WeakPolarHBondContact O-CB 3.36Å; F5-L15 HydrophobicContact CE1-CD1 4.47Å; F5-L15 HydrophobicContact CZ-CD1 4.01Å; F5-L15 HydrophobicContact CZ-CG 4.4Å; F5-F156 HydrophobicContact CB-CD1 4.18Å; F5-F156 HydrophobicContact CB-CE1 4.2Å; F5-F156 HydrophobicContact CB-CG 4.48Å; F5-F156 HydrophobicContact CD2-CB 3.95Å; F5-F156 HydrophobicContact CD2-CD1 4.32Å; F5-F156 AromaticContact CD2-CD2 3.89Å; F5-F156 HydrophobicContact CD2-CD2 3.89Å; F5-F156 HydrophobicContact CD2-CE2 4.48Å; F5-F156 AromaticContact CD2-CG 3.8Å; F5-F156 HydrophobicContact CD2-CG 3.8Å; F5-F156 HydrophobicContact CE2-CB 4.48Å; F5-P201 HydrophobicContact CD1-CB 4.37Å; F5-P201 HydrophobicContact CE1-CB 3.42Å; F5-P201 VanDerWaalsContact CE1-CB 3.42Å; F5-P201 HydrophobicContact CZ-CB 3.59Å; F5-P202 HydrophobicContact CD2-CG 4.45Å; F5-P202 VanDerWaalsContact CE2-CD 3.46Å; F5-P202 HydrophobicContact CE2-CG 4.14Å |
| 6 | W | 89.2 | Confident | 83.8 | Confident | 126 Ų | 126 | 78.9 Ų | 78.9 | 48% | 0.477 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -63 | -9.8 | 179.3 | -51.2 | 115.3 | 0 | 0 | 0 | 116.5 | S4 Y11 P201 Y203 | S4-W6 PolarHBondContact O-N 2.92Å; S4-W6 VanDerWaalsContact O-N 3.07Å; W6-Y11 HydrophobicContact CE3-CD1 4.37Å; W6-Y11 AromaticContact CE3-CD2 3.6Å; W6-Y11 HydrophobicContact CE3-CD2 3.6Å; W6-Y11 HydrophobicContact CE3-CE1 4.24Å; W6-Y11 AromaticContact CE3-CE2 3.49Å; W6-Y11 HydrophobicContact CE3-CE2 3.49Å; W6-Y11 VanDerWaalsContact CE3-CE2 3.49Å; W6-Y11 HydrophobicContact CE3-CG 4.07Å; W6-Y11 AromaticContact CE3-CZ 3.83Å; W6-Y11 AromaticContact CZ3-CD2 3.8Å; W6-Y11 HydrophobicContact CZ3-CD2 3.8Å; W6-Y11 AromaticContact CZ3-CE2 3.5Å; W6-Y11 HydrophobicContact CZ3-CE2 3.5Å; W6-Y11 VanDerWaalsContact CZ3-CE2 3.5Å; W6-Y11 VanDerWaalsContact O-CD1 3.23Å; W6-Y11 WeakPolarHBondContact O-CD1 3.5Å; W6-P201 HydrophobicContact CH2-CB 4.39Å; W6-P201 HydrophobicContact CH2-CG 4.45Å; W6-Y203 AromaticContact CH2-CE1 3.67Å; W6-Y203 HydrophobicContact CH2-CE1 3.67Å; W6-Y203 HydrophobicContact CZ2-CD1 4.44Å; W6-Y203 AromaticContact CZ2-CE1 3.55Å; W6-Y203 HydrophobicContact CZ2-CE1 3.55Å |
| 7 | R | 89.6 | Confident | 84.4 | Confident | 199 Ų | 199 | 79.9 Ų | 79.9 | 75% | 0.751 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -117.1 | 7.7 | 174.4 | -62.1 | -178.1 | 179.7 | -174.6 | 0 | 112.2 | S4 F5 | S4-R7 PolarHBondContact O-N 2.92Å; S4-R7 WeakPolarHBondContact OG-CB 3.28Å; S4-R7 WeakPolarHBondContact OG-CD 3.37Å; S4-R7 WeakPolarHBondContact OG-CG 3.48Å; F5-R7 PolarHBondContact O-N 3.33Å |
| 8 | S | 91.8 | Very high | 84.9 | Confident | 2 Ų | 2 | 84.9 Ų | 84.9 | 1% | 0.014 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -89.5 | 155.4 | -179.4 | 73.2 | 0 | 0 | 0 | 0 | 110.9 | S4 F5 N10 Y11 L12 F156 | S4-S8 PolarHBondContact O-N 2.73Å; F5-S8 VanDerWaalsContact O-CB 3.3Å; F5-S8 WeakPolarHBondContact O-CB 3.23Å; F5-S8 PolarHBondContact O-N 3.18Å; F5-S8 PolarHBondContact O-OG 3.04Å; S8-N10 PolarHBondContact O-N 2.81Å; S8-N10 WeakPolarHBondContact OG-CB 3.09Å; S8-N10 PolarHBondContact OG-N 3.31Å; S8-Y11 PolarHBondContact O-N 2.84Å; S8-Y11 VanDerWaalsContact O-N 3.09Å; S8-Y11 PolarHBondContact OG-N 2.54Å; S8-L12 WeakPolarHBondContact O-CG 3.46Å; S8-L12 PolarHBondContact O-N 3.23Å; S8-F156 VanDerWaalsContact CB-CE2 3.41Å; S8-F156 WeakPolarHBondContact OG-CE2 3.29Å |
| 9 | S | 91.5 | Very high | 85.3 | Confident | 20 Ų | 20 | 86.9 Ų | 86.9 | 14% | 0.14 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.3 | -27.2 | 171.5 | 50.3 | 0 | 0 | 0 | 0 | 112.3 | Y11 L12 E13 W14 S152 | S9-Y11 VanDerWaalsContact C-N 3.29Å; S9-Y11 PolarHBondContact O-N 3.16Å; S9-L12 PolarHBondContact O-N 3.44Å; S9-E13 WeakPolarHBondContact O-CB 3.24Å; S9-E13 PolarHBondContact O-N 3.42Å; S9-W14 PolarHBondContact O-N 2.8Å; S9-S152 WeakPolarHBondContact CB-OG 3.48Å; S9-S152 WeakPolarHBondContact OG-CB 3.44Å; S9-S152 PolarHBondContact OG-OG 3.02Å |
| 10 | N | 91.9 | Very high | 85.6 | Confident | 6 Ų | 6 | 87.1 Ų | 87.1 | 3% | 0.032 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -55.2 | -46.1 | 171.8 | -167.1 | 10.7 | 0 | 0 | 0 | 111.7 | F5 S8 W14 L15 R72 F156 | F5-N10 HydrophobicContact CE2-CB 4.34Å; S8-N10 PolarHBondContact O-N 2.81Å; S8-N10 WeakPolarHBondContact OG-CB 3.09Å; S8-N10 PolarHBondContact OG-N 3.31Å; N10-W14 CarbonylContact O-C 3.54Å; N10-W14 WeakPolarHBondContact O-CA 3.16Å; N10-W14 WeakPolarHBondContact O-CB 3.49Å; N10-W14 PolarHBondContact O-N 2.92Å; N10-L15 PolarHBondContact O-N 3.09Å; N10-R72 VanDerWaalsContact CG-NH2 3.28Å; N10-R72 PolarHBondContact OD1-NH2 3.21Å; N10-F156 HydrophobicContact CB-CD2 4.02Å; N10-F156 PolarHBondContact ND2-N 3.37Å; N10-F156 VanDerWaalsContact ND2-N 3.13Å |
| 11 | Y | 93 | Very high | 86 | Confident | 91 Ų | 91 | 83 Ų | 83 | 36% | 0.357 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -74.1 | -46.9 | 177.2 | 174.8 | -108.8 | 0 | 0 | 0 | 112.5 | F5 W6 S8 S9 L15 | F5-Y11 AromaticContact CE1-CD2 3.72Å; F5-Y11 HydrophobicContact CE1-CD2 3.72Å; F5-Y11 HydrophobicContact CE1-CG 4.21Å; F5-Y11 HydrophobicContact CZ-CD2 4.05Å; F5-Y11 HydrophobicContact CZ-CG 4.46Å; F5-Y11 WeakPolarHBondContact O-CB 3.36Å; W6-Y11 HydrophobicContact CE3-CD1 4.37Å; W6-Y11 AromaticContact CE3-CD2 3.6Å; W6-Y11 HydrophobicContact CE3-CD2 3.6Å; W6-Y11 HydrophobicContact CE3-CE1 4.24Å; W6-Y11 AromaticContact CE3-CE2 3.49Å; W6-Y11 HydrophobicContact CE3-CE2 3.49Å; W6-Y11 VanDerWaalsContact CE3-CE2 3.49Å; W6-Y11 HydrophobicContact CE3-CG 4.07Å; W6-Y11 AromaticContact CE3-CZ 3.83Å; W6-Y11 AromaticContact CZ3-CD2 3.8Å; W6-Y11 HydrophobicContact CZ3-CD2 3.8Å; W6-Y11 AromaticContact CZ3-CE2 3.5Å; W6-Y11 HydrophobicContact CZ3-CE2 3.5Å; W6-Y11 VanDerWaalsContact CZ3-CE2 3.5Å; W6-Y11 VanDerWaalsContact O-CD1 3.23Å; W6-Y11 WeakPolarHBondContact O-CD1 3.5Å; S8-Y11 PolarHBondContact O-N 2.84Å; S8-Y11 VanDerWaalsContact O-N 3.09Å; S8-Y11 PolarHBondContact OG-N 2.54Å; S9-Y11 VanDerWaalsContact C-N 3.29Å; S9-Y11 PolarHBondContact O-N 3.16Å; Y11-L15 HydrophobicContact CD2-CD1 3.58Å; Y11-L15 HydrophobicContact CD2-CG 4.34Å; Y11-L15 HydrophobicContact CE2-CD1 3.99Å |
| 12 | L | 92.7 | Very high | 88.4 | Confident | 114 Ų | 114 | 75.3 Ų | 75.3 | 60% | 0.597 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -75.7 | -27.4 | -169.4 | -64.3 | 172.5 | 0 | 0 | 0 | 113.8 | S8 S9 | S8-L12 WeakPolarHBondContact O-CG 3.46Å; S8-L12 PolarHBondContact O-N 3.23Å; S9-L12 PolarHBondContact O-N 3.44Å |
| 13 | E | 93 | Very high | 90.5 | Very high | 73 Ų | 73 | 75 Ų | 75 | 34% | 0.341 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -124.1 | -21.9 | -170.7 | -62.3 | 161.8 | -153 | 0 | 0 | 113.6 | S9 L16 R76 S152 | S9-E13 WeakPolarHBondContact O-CB 3.24Å; S9-E13 PolarHBondContact O-N 3.42Å; E13-L16 VanDerWaalsContact O-CD2 3.3Å; E13-L16 WeakPolarHBondContact O-CD2 3.47Å; E13-R76 PolarHBondContact O-NH2 2.65Å; E13-S152 VanDerWaalsContact OE2-CB 3.29Å; E13-S152 WeakPolarHBondContact OE2-CB 3.23Å; E13-S152 PolarHBondContact OE2-OG 3.45Å |
| 14 | W | 95.6 | Very high | 92 | Very high | 1 Ų | 1 | 72.1 Ų | 72.1 | 0% | 0.004 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -123.3 | 4.6 | -168.6 | -63.8 | 100.5 | 0 | 0 | 0 | 115 | S9 N10 L16 R72 M149 S152 | S9-W14 PolarHBondContact O-N 2.8Å; N10-W14 CarbonylContact O-C 3.54Å; N10-W14 WeakPolarHBondContact O-CA 3.16Å; N10-W14 WeakPolarHBondContact O-CB 3.49Å; N10-W14 PolarHBondContact O-N 2.92Å; W14-L16 HydrophobicContact CE3-CD1 4.48Å; W14-R72 HydrophobicContact CD2-CB 4.43Å; W14-R72 VanDerWaalsContact CD2-CD 3.49Å; W14-R72 HydrophobicContact CD2-CG 3.88Å; W14-R72 HydrophobicContact CE3-CB 3.7Å; W14-R72 HydrophobicContact CE3-CG 3.36Å; W14-R72 HydrophobicContact CG-CG 4.47Å; W14-R72 VanDerWaalsContact CG-CZ 3.42Å; W14-R72 HydrophobicContact CH2-CB 4.1Å; W14-R72 HydrophobicContact CZ3-CB 3.48Å; W14-R72 VanDerWaalsContact CZ3-CB 3.48Å; W14-R72 HydrophobicContact CZ3-CG 3.75Å; W14-M149 HydrophobicContact CH2-CB 4.35Å; W14-M149 HydrophobicContact CH2-CG 4.02Å; W14-M149 HydrophobicContact CZ2-CB 3.88Å; W14-M149 HydrophobicContact CZ2-CG 4Å; W14-S152 VanDerWaalsContact NE1-CB 3.29Å |
| 15 | L | 95.6 | Very high | 92.6 | Very high | 45 Ų | 45 | 69.5 Ų | 69.5 | 24% | 0.236 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -88 | 97.8 | 154.2 | -66.8 | -164.1 | 0 | 0 | 0 | 108.1 | F5 N10 Y11 L198 P201 | F5-L15 HydrophobicContact CE1-CD1 4.47Å; F5-L15 HydrophobicContact CZ-CD1 4.01Å; F5-L15 HydrophobicContact CZ-CG 4.4Å; N10-L15 PolarHBondContact O-N 3.09Å; Y11-L15 HydrophobicContact CD2-CD1 3.58Å; Y11-L15 HydrophobicContact CD2-CG 4.34Å; Y11-L15 HydrophobicContact CE2-CD1 3.99Å; L15-L198 CarbonylContact C-O 3.53Å; L15-L198 WeakPolarHBondContact CA-O 3.49Å; L15-P201 HydrophobicContact CD1-CB 4.45Å |
| 16 | L | 96.1 | Very high | 92.9 | Very high | 24 Ų | 24 | 70.1 Ų | 70.1 | 13% | 0.126 | 33% | 0.325 | C | S | . | . | trans | -93.3 | 145.4 | -172.8 | -52.2 | -179.4 | 0 | 0 | 0 | 110.3 | E13 W14 V21 S75 L198 H199 | E13-L16 VanDerWaalsContact O-CD2 3.3Å; E13-L16 WeakPolarHBondContact O-CD2 3.47Å; W14-L16 HydrophobicContact CE3-CD1 4.48Å; L16-V21 HydrophobicContact CB-CG2 3.72Å; L16-V21 HydrophobicContact CD1-CG2 3.78Å; L16-V21 HydrophobicContact CG-CG2 4.41Å; L16-S75 VanDerWaalsContact CD1-OG 3.26Å; L16-S75 WeakPolarHBondContact CD1-OG 3.48Å; L16-L198 PolarHBondContact N-O 3.33Å; L16-H199 PolarHBondContact O-ND1 3.22Å | ||
| 17 | D | 93.9 | Very high | 92.9 | Very high | 96 Ų | 96 | 68 Ų | 68 | 51% | 0.513 | 32% | 0.324 | S | S | . | . | trans | -69.5 | 142.7 | 167.2 | -168.4 | -89.1 | 0 | 0 | 0 | 110 | Q19 D20 V21 | D17-Q19 PolarHBondContact O-N 3Å; D17-Q19 WeakPolarHBondContact OD1-CA 3.35Å; D17-Q19 WeakPolarHBondContact OD1-CB 3.15Å; D17-Q19 PolarHBondContact OD1-N 2.96Å; D17-D20 HydrophobicContact CB-CB 4.39Å; D17-D20 PolarHBondContact O-N 3.41Å; D17-V21 PolarHBondContact O-N 3.18Å | ||
| 18 | R | 93.2 | Very high | 93.1 | Very high | 171 Ų | 171 | 58.6 Ų | 58.6 | 65% | 0.645 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60.6 | -37.8 | 179.6 | -174.7 | 178.2 | 177.3 | -178.2 | 0.6 | 111.3 | D20 V21 M22 | R18-D20 VanDerWaalsContact C-N 3.34Å; R18-V21 PolarHBondContact O-N 3.09Å; R18-M22 VanDerWaalsContact O-CG 3.27Å; R18-M22 WeakPolarHBondContact O-CG 3.26Å; R18-M22 PolarHBondContact O-N 3.34Å; R18-M22 VanDerWaalsContact O-N 3.08Å |
| 19 | Q | 93.5 | Very high | 93.2 | Very high | 123 Ų | 123 | 59.8 Ų | 59.8 | 58% | 0.575 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -66.5 | -38.6 | -179.6 | -169.1 | 57.3 | 47.3 | 0 | 0 | 111.5 | D17 M22 I23 | D17-Q19 PolarHBondContact O-N 3Å; D17-Q19 WeakPolarHBondContact OD1-CA 3.35Å; D17-Q19 WeakPolarHBondContact OD1-CB 3.15Å; D17-Q19 PolarHBondContact OD1-N 2.96Å; Q19-M22 PolarHBondContact O-N 3.31Å; Q19-I23 VanDerWaalsContact O-CG1 3.32Å; Q19-I23 WeakPolarHBondContact O-CG1 3.11Å; Q19-I23 PolarHBondContact O-N 3.36Å |
| 20 | D | 91.4 | Very high | 93.2 | Very high | 89 Ų | 89 | 66.2 Ų | 66.2 | 48% | 0.476 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.2 | -45.1 | 177.3 | -68.9 | -20.3 | 0 | 0 | 0 | 111.3 | D17 R18 M22 I23 H24 | D17-D20 HydrophobicContact CB-CB 4.39Å; D17-D20 PolarHBondContact O-N 3.41Å; R18-D20 VanDerWaalsContact C-N 3.34Å; D20-M22 VanDerWaalsContact C-N 3.29Å; D20-M22 PolarHBondContact O-N 2.87Å; D20-I23 WeakPolarHBondContact O-CB 3.32Å; D20-I23 PolarHBondContact O-N 3.07Å; D20-I23 VanDerWaalsContact O-N 3.16Å; D20-H24 PolarHBondContact O-CD2 3.41Å; D20-H24 VanDerWaalsContact O-CD2 3.3Å; D20-H24 PolarHBondContact O-N 2.84Å |
| 21 | V | 94.5 | Very high | 93.2 | Very high | 3 Ų | 3 | 69.3 Ų | 69.3 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.6 | -41.6 | 175.5 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | L16 D17 R18 I23 H24 R25 | L16-V21 HydrophobicContact CB-CG2 3.72Å; L16-V21 HydrophobicContact CD1-CG2 3.78Å; L16-V21 HydrophobicContact CG-CG2 4.41Å; D17-V21 PolarHBondContact O-N 3.18Å; R18-V21 PolarHBondContact O-N 3.09Å; V21-I23 VanDerWaalsContact C-N 3.33Å; V21-I23 PolarHBondContact O-N 3.12Å; V21-H24 PolarHBondContact O-N 2.99Å; V21-R25 HydrophobicContact CG1-CG 4.44Å; V21-R25 VanDerWaalsContact CG1-CZ 3.46Å; V21-R25 VanDerWaalsContact CG1-NE 3.35Å; V21-R25 WeakPolarHBondContact O-CG 3.09Å; V21-R25 PolarHBondContact O-N 3.48Å; V21-R25 VanDerWaalsContact O-N 3.08Å |
| 22 | M | 92.7 | Very high | 93.1 | Very high | 57 Ų | 57 | 65 Ų | 65 | 28% | 0.281 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.7 | -34.8 | 177.6 | -69.7 | -59.7 | -62.2 | 0 | 0 | 113 | R18 Q19 D20 R25 A26 L29 E35 | R18-M22 VanDerWaalsContact O-CG 3.27Å; R18-M22 WeakPolarHBondContact O-CG 3.26Å; R18-M22 PolarHBondContact O-N 3.34Å; R18-M22 VanDerWaalsContact O-N 3.08Å; Q19-M22 PolarHBondContact O-N 3.31Å; D20-M22 VanDerWaalsContact C-N 3.29Å; D20-M22 PolarHBondContact O-N 2.87Å; M22-R25 PolarHBondContact O-N 3.04Å; M22-A26 PolarHBondContact O-N 3.3Å; M22-A26 VanDerWaalsContact O-N 3.07Å; M22-L29 HydrophobicContact CE-CD1 3.53Å; M22-E35 WeakPolarHBondContact CE-OE2 3.48Å |
| 23 | I | 93.2 | Very high | 92.9 | Very high | 100 Ų | 100 | 65.3 Ų | 65.3 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.3 | -46.7 | 176.4 | -70.3 | 163.8 | 0 | 0 | 0 | 110.3 | Q19 D20 V21 R25 A26 | Q19-I23 VanDerWaalsContact O-CG1 3.32Å; Q19-I23 WeakPolarHBondContact O-CG1 3.11Å; Q19-I23 PolarHBondContact O-N 3.36Å; D20-I23 WeakPolarHBondContact O-CB 3.32Å; D20-I23 PolarHBondContact O-N 3.07Å; D20-I23 VanDerWaalsContact O-N 3.16Å; V21-I23 VanDerWaalsContact C-N 3.33Å; V21-I23 PolarHBondContact O-N 3.12Å; I23-R25 VanDerWaalsContact C-N 3.33Å; I23-R25 PolarHBondContact O-N 3.12Å; I23-A26 VanDerWaalsContact O-CB 3.27Å; I23-A26 WeakPolarHBondContact O-CB 3.39Å; I23-A26 PolarHBondContact O-N 2.71Å |
| 24 | H | 91.2 | Very high | 92.8 | Very high | 92 Ų | 92 | 63.9 Ų | 63.9 | 43% | 0.426 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.9 | -32.9 | 179.5 | -75.5 | -78.3 | 0 | 0 | 0 | 112.8 | D20 V21 A26 S75 R76 | D20-H24 PolarHBondContact O-CD2 3.41Å; D20-H24 VanDerWaalsContact O-CD2 3.3Å; D20-H24 PolarHBondContact O-N 2.84Å; V21-H24 PolarHBondContact O-N 2.99Å; H24-A26 VanDerWaalsContact C-N 3.33Å; H24-S75 VanDerWaalsContact CB-O 3.23Å; H24-S75 WeakPolarHBondContact CB-O 3.3Å; H24-R76 PolarHBondContact ND1-O 3.3Å |
| 25 | R | 94.2 | Very high | 92.6 | Very high | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.015 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -78.3 | -12.3 | 176.6 | -68.8 | 178.3 | -178.8 | 179.6 | 2.2 | 114.3 | V21 M22 I23 N27 D28 L29 E35 Y38 D195 | V21-R25 HydrophobicContact CG1-CG 4.44Å; V21-R25 VanDerWaalsContact CG1-CZ 3.46Å; V21-R25 VanDerWaalsContact CG1-NE 3.35Å; V21-R25 WeakPolarHBondContact O-CG 3.09Å; V21-R25 PolarHBondContact O-N 3.48Å; V21-R25 VanDerWaalsContact O-N 3.08Å; M22-R25 PolarHBondContact O-N 3.04Å; I23-R25 VanDerWaalsContact C-N 3.33Å; I23-R25 PolarHBondContact O-N 3.12Å; R25-N27 PolarHBondContact O-N 3.33Å; R25-D28 PolarHBondContact O-N 3.45Å; R25-L29 HydrophobicContact CB-CD1 3.97Å; R25-L29 HydrophobicContact CB-CG 4.19Å; R25-L29 WeakPolarHBondContact O-CG 3.5Å; R25-L29 PolarHBondContact O-N 3.19Å; R25-E35 IonicContact NH1-OE1 2.7Å; R25-Y38 HydrophobicContact CB-CE2 4.25Å; R25-Y38 VanDerWaalsContact CD-CZ 3.43Å; R25-Y38 HydrophobicContact CG-CE1 4.31Å; R25-Y38 HydrophobicContact CG-CE2 3.82Å; R25-Y38 VanDerWaalsContact NE-CE1 3.29Å; R25-Y38 VanDerWaalsContact NE-CZ 3.31Å; R25-Y38 PolarHBondContact NE-OH 3.5Å; R25-Y38 VanDerWaalsContact NE-OH 3.14Å; R25-D195 IonicContact CZ-OD2 2.76Å; R25-D195 VanDerWaalsContact CZ-OD2 3.23Å; R25-D195 IonicContact NH1-OD2 3.36Å; R25-D195 PolarHBondContact NH1-OD2 3.29Å; R25-D195 VanDerWaalsContact NH2-CG 3.31Å; R25-D195 IonicContact NH2-OD1 2.85Å; R25-D195 PolarHBondContact NH2-OD1 3.08Å; R25-D195 IonicContact NH2-OD2 3.23Å; R25-D195 PolarHBondContact NH2-OD2 3.49Å |
| 26 | A | 92.6 | Very high | 92.5 | Very high | 36 Ų | 36 | 67.8 Ų | 67.8 | 30% | 0.298 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -54.2 | -31.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | M22 I23 H24 K30 | M22-A26 PolarHBondContact O-N 3.3Å; M22-A26 VanDerWaalsContact O-N 3.07Å; I23-A26 VanDerWaalsContact O-CB 3.27Å; I23-A26 WeakPolarHBondContact O-CB 3.39Å; I23-A26 PolarHBondContact O-N 2.71Å; H24-A26 VanDerWaalsContact C-N 3.33Å; A26-K30 VanDerWaalsContact O-CG 3.29Å; A26-K30 WeakPolarHBondContact O-CG 3.49Å; A26-K30 PolarHBondContact O-N 3.34Å |
| 27 | N | 90.2 | Very high | 92.4 | Very high | 83 Ų | 83 | 68.4 Ų | 68.4 | 44% | 0.444 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -74.7 | -42.1 | 176.8 | -68.6 | -42.4 | 0 | 0 | 0 | 112.6 | R25 L29 K30 I31 | R25-N27 PolarHBondContact O-N 3.33Å; N27-L29 VanDerWaalsContact C-N 3.33Å; N27-K30 PolarHBondContact O-N 3.44Å; N27-I31 WeakPolarHBondContact O-CG1 3.42Å; N27-I31 PolarHBondContact O-N 3.14Å |
| 28 | D | 94.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.7 | -36.1 | 178.6 | -67.9 | -17.8 | 0 | 0 | 0 | 110.8 | R25 K30 I31 L32 Y38 S78 F79 | R25-D28 PolarHBondContact O-N 3.45Å; D28-K30 VanDerWaalsContact C-N 3.27Å; D28-K30 PolarHBondContact O-N 3.18Å; D28-I31 PolarHBondContact O-N 3.19Å; D28-L32 WeakPolarHBondContact O-CB 3.32Å; D28-L32 WeakPolarHBondContact O-CG 3.23Å; D28-L32 PolarHBondContact O-N 3Å; D28-Y38 HydrophobicContact CB-CD2 4.04Å; D28-Y38 HydrophobicContact CB-CE2 4.02Å; D28-S78 WeakPolarHBondContact OD1-CB 3.48Å; D28-S78 PolarHBondContact OD1-OG 2.87Å; D28-S78 WeakPolarHBondContact OD2-CA 3.5Å; D28-S78 WeakPolarHBondContact OD2-CB 3.32Å; D28-S78 PolarHBondContact OD2-OG 2.71Å; D28-F79 HydrophobicContact CB-CD2 4.08Å; D28-F79 PolarHBondContact OD2-N 3.34Å |
| 29 | L | 92.9 | Very high | 92.6 | Very high | 27 Ų | 27 | 57.6 Ų | 57.6 | 14% | 0.141 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62 | -33.9 | 174.1 | -67.4 | 171.1 | 0 | 0 | 0 | 113 | M22 R25 N27 I31 D33 E35 Y38 | M22-L29 HydrophobicContact CE-CD1 3.53Å; R25-L29 HydrophobicContact CB-CD1 3.97Å; R25-L29 HydrophobicContact CB-CG 4.19Å; R25-L29 WeakPolarHBondContact O-CG 3.5Å; R25-L29 PolarHBondContact O-N 3.19Å; N27-L29 VanDerWaalsContact C-N 3.33Å; L29-I31 VanDerWaalsContact C-N 3.33Å; L29-D33 PolarHBondContact O-N 3.39Å; L29-D33 VanDerWaalsContact O-N 3.09Å; L29-E35 WeakPolarHBondContact CD1-OE2 3.14Å; L29-E35 HydrophobicContact CD2-CB 4.14Å; L29-E35 WeakPolarHBondContact CD2-OE2 3.36Å; L29-Y38 HydrophobicContact CD2-CD2 4.28Å; L29-Y38 HydrophobicContact CD2-CG 4.1Å |
| 30 | K | 91.6 | Very high | 92.7 | Very high | 154 Ų | 154 | 52.3 Ų | 52.3 | 67% | 0.67 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -69.1 | -31.1 | 173 | -73.2 | 169.3 | -174.3 | 175.6 | 0 | 112.6 | A26 N27 D28 | A26-K30 VanDerWaalsContact O-CG 3.29Å; A26-K30 WeakPolarHBondContact O-CG 3.49Å; A26-K30 PolarHBondContact O-N 3.34Å; N27-K30 PolarHBondContact O-N 3.44Å; D28-K30 VanDerWaalsContact C-N 3.27Å; D28-K30 PolarHBondContact O-N 3.18Å |
| 31 | I | 91.1 | Very high | 93 | Very high | 72 Ų | 72 | 48.1 Ų | 48.1 | 37% | 0.369 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -79.4 | -37.1 | 179.3 | -65.2 | 166.6 | 0 | 0 | 0 | 110.7 | N27 D28 L29 D33 K308 L309 | N27-I31 WeakPolarHBondContact O-CG1 3.42Å; N27-I31 PolarHBondContact O-N 3.14Å; D28-I31 PolarHBondContact O-N 3.19Å; L29-I31 VanDerWaalsContact C-N 3.33Å; I31-D33 VanDerWaalsContact C-N 3.35Å; I31-K308 HydrophobicContact CG2-CB 4.44Å; I31-K308 WeakPolarHBondContact CG2-O 3.22Å; I31-L309 HydrophobicContact CG2-CD2 4.14Å |
| 32 | L | 92.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -88.7 | 1.3 | -178.7 | -66.2 | 176.8 | 0 | 0 | 0 | 113.4 | D28 S34 E37 Y38 V41 F79 I304 K308 L309 | D28-L32 WeakPolarHBondContact O-CB 3.32Å; D28-L32 WeakPolarHBondContact O-CG 3.23Å; D28-L32 PolarHBondContact O-N 3Å; L32-S34 PolarHBondContact O-N 3.1Å; L32-E37 HydrophobicContact CB-CB 3.95Å; L32-E37 WeakPolarHBondContact O-CB 3.5Å; L32-Y38 HydrophobicContact CD1-CD2 4.07Å; L32-Y38 HydrophobicContact CD1-CG 4.42Å; L32-V41 HydrophobicContact CD1-CG2 4.18Å; L32-V41 HydrophobicContact CD2-CG2 4.39Å; L32-F79 HydrophobicContact CD1-CD2 4.45Å; L32-F79 HydrophobicContact CD1-CE2 4.14Å; L32-I304 HydrophobicContact CD2-CG2 3.68Å; L32-K308 HydrophobicContact CD2-CB 4.16Å; L32-K308 HydrophobicContact CD2-CD 4.39Å; L32-L309 HydrophobicContact CD1-CD1 4.4Å; L32-L309 HydrophobicContact CD2-CD1 3.91Å; L32-L309 HydrophobicContact CD2-CD2 4.46Å; L32-L309 HydrophobicContact CD2-CG 3.92Å |
| 33 | D | 88.7 | Confident | 93.3 | Very high | 121 Ų | 121 | 45.4 Ų | 45.4 | 65% | 0.647 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 59.6 | -12.8 | -179.2 | -52.7 | -53.1 | 0 | 0 | 0 | 116.3 | L29 I31 K308 | L29-D33 PolarHBondContact O-N 3.39Å; L29-D33 VanDerWaalsContact O-N 3.09Å; I31-D33 VanDerWaalsContact C-N 3.35Å; D33-K308 WeakPolarHBondContact OD2-CE 3.3Å; D33-K308 IonicContact OD2-NZ 2.78Å; D33-K308 PolarHBondContact OD2-NZ 3.3Å |
| 34 | S | 90.5 | Very high | 93.6 | Very high | 43 Ų | 43 | 40.6 Ų | 40.6 | 30% | 0.301 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -159.9 | 156.2 | -179.3 | 71 | 0 | 0 | 0 | 0 | 114.2 | L32 E36 E37 Y38 | L32-S34 PolarHBondContact O-N 3.1Å; S34-E36 VanDerWaalsContact C-N 3.3Å; S34-E37 PolarHBondContact O-N 2.86Å; S34-E37 WeakPolarHBondContact OG-CG 3.32Å; S34-E37 PolarHBondContact OG-N 2.85Å; S34-E37 VanDerWaalsContact OG-N 3.12Å; S34-Y38 PolarHBondContact O-N 2.83Å |
| 35 | E | 91.5 | Very high | 93.9 | Very high | 60 Ų | 60 | 36.3 Ų | 36.3 | 28% | 0.28 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.4 | -34.5 | 169.3 | -178.6 | 64.3 | -151.9 | 0 | 0 | 111.8 | M22 R25 L29 E37 Y38 Q39 | M22-E35 WeakPolarHBondContact CE-OE2 3.48Å; R25-E35 IonicContact NH1-OE1 2.7Å; L29-E35 WeakPolarHBondContact CD1-OE2 3.14Å; L29-E35 HydrophobicContact CD2-CB 4.14Å; L29-E35 WeakPolarHBondContact CD2-OE2 3.36Å; E35-E37 VanDerWaalsContact C-N 3.33Å; E35-E37 PolarHBondContact O-N 3.37Å; E35-Y38 WeakPolarHBondContact O-CB 3.36Å; E35-Y38 PolarHBondContact O-N 2.91Å; E35-Q39 HydrophobicContact CG-CG 4.34Å; E35-Q39 WeakPolarHBondContact O-CG 3.27Å; E35-Q39 PolarHBondContact O-N 3.32Å; E35-Q39 PolarHBondContact OE1-NE2 2.87Å |
| 36 | E | 93.1 | Very high | 94.1 | Very high | 67 Ų | 67 | 36.1 Ų | 36.1 | 31% | 0.313 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -61.6 | -42.5 | 178.6 | -165.1 | -177.7 | 118.8 | 0 | 0 | 110.9 | S34 Q39 K40 L291 R294 | S34-E36 VanDerWaalsContact C-N 3.3Å; E36-Q39 PolarHBondContact O-N 2.98Å; E36-K40 VanDerWaalsContact O-CG 3.29Å; E36-K40 WeakPolarHBondContact O-CG 3.36Å; E36-K40 PolarHBondContact O-N 2.56Å; E36-K40 WeakPolarHBondContact OE1-CE 3.39Å; E36-K40 IonicContact OE1-NZ 2.71Å; E36-K40 PolarHBondContact OE1-NZ 3.48Å; E36-L291 HydrophobicContact CG-CD1 3.46Å; E36-L291 VanDerWaalsContact CG-CD1 3.46Å; E36-R294 IonicContact OE1-NH1 3.77Å; E36-R294 IonicContact OE1-NH2 2.85Å; E36-R294 IonicContact OE2-CZ 3.79Å; E36-R294 IonicContact OE2-NH1 2.78Å; E36-R294 PolarHBondContact OE2-NH1 3.37Å; E36-R294 IonicContact OE2-NH2 2.94Å; E36-R294 PolarHBondContact OE2-NH2 3Å |
| 37 | E | 94.1 | Very high | 94.4 | Very high | 38 Ų | 38 | 35.6 Ų | 35.6 | 18% | 0.178 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.1 | -39.6 | 175 | -76.3 | -167.5 | -161.3 | 0 | 0 | 112.7 | L32 S34 E35 Q39 K40 V41 I304 K308 | L32-E37 HydrophobicContact CB-CB 3.95Å; L32-E37 WeakPolarHBondContact O-CB 3.5Å; S34-E37 PolarHBondContact O-N 2.86Å; S34-E37 WeakPolarHBondContact OG-CG 3.32Å; S34-E37 PolarHBondContact OG-N 2.85Å; S34-E37 VanDerWaalsContact OG-N 3.12Å; E35-E37 VanDerWaalsContact C-N 3.33Å; E35-E37 PolarHBondContact O-N 3.37Å; E37-Q39 VanDerWaalsContact C-N 3.33Å; E37-Q39 PolarHBondContact O-N 3.1Å; E37-K40 PolarHBondContact O-N 2.72Å; E37-V41 WeakPolarHBondContact O-CG2 3.07Å; E37-V41 PolarHBondContact O-N 3.27Å; E37-I304 HydrophobicContact CB-CD1 4.47Å; E37-I304 HydrophobicContact CG-CD1 4.1Å; E37-K308 IonicContact OE1-NZ 2.69Å; E37-K308 PolarHBondContact OE1-NZ 3.06Å; E37-K308 WeakPolarHBondContact OE2-CD 3.24Å; E37-K308 WeakPolarHBondContact OE2-CE 3.47Å; E37-K308 IonicContact OE2-NZ 2.71Å; E37-K308 PolarHBondContact OE2-NZ 3.42Å |
| 38 | Y | 95.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.2 | -47 | 173 | -175.6 | -78 | 0 | 0 | 0 | 111.4 | R25 D28 L29 L32 S34 E35 K40 V41 M42 Y74 F79 | R25-Y38 HydrophobicContact CB-CE2 4.25Å; R25-Y38 VanDerWaalsContact CD-CZ 3.43Å; R25-Y38 HydrophobicContact CG-CE1 4.31Å; R25-Y38 HydrophobicContact CG-CE2 3.82Å; R25-Y38 VanDerWaalsContact NE-CE1 3.29Å; R25-Y38 VanDerWaalsContact NE-CZ 3.31Å; R25-Y38 PolarHBondContact NE-OH 3.5Å; R25-Y38 VanDerWaalsContact NE-OH 3.14Å; D28-Y38 HydrophobicContact CB-CD2 4.04Å; D28-Y38 HydrophobicContact CB-CE2 4.02Å; L29-Y38 HydrophobicContact CD2-CD2 4.28Å; L29-Y38 HydrophobicContact CD2-CG 4.1Å; L32-Y38 HydrophobicContact CD1-CD2 4.07Å; L32-Y38 HydrophobicContact CD1-CG 4.42Å; S34-Y38 PolarHBondContact O-N 2.83Å; E35-Y38 WeakPolarHBondContact O-CB 3.36Å; E35-Y38 PolarHBondContact O-N 2.91Å; Y38-K40 VanDerWaalsContact C-N 3.32Å; Y38-K40 PolarHBondContact O-N 2.87Å; Y38-V41 WeakPolarHBondContact O-CB 3.43Å; Y38-V41 PolarHBondContact O-N 3.3Å; Y38-M42 HydrophobicContact CD1-CG 3.93Å; Y38-M42 HydrophobicContact CE1-CG 3.42Å; Y38-M42 VanDerWaalsContact CE1-CG 3.42Å; Y38-M42 HydrophobicContact CE1-SD 4.07Å; Y38-M42 WeakPolarHBondContact O-CG 3.41Å; Y38-M42 PolarHBondContact O-N 3.25Å; Y38-Y74 PolarHBondContact OH-O 3.27Å; Y38-F79 HydrophobicContact CD2-CD2 4.45Å; Y38-F79 AromaticContact CD2-CE2 3.54Å; Y38-F79 HydrophobicContact CD2-CE2 3.54Å; Y38-F79 HydrophobicContact CD2-CZ 4.13Å; Y38-F79 HydrophobicContact CE1-CZ 4.35Å; Y38-F79 HydrophobicContact CE2-CD2 4.13Å; Y38-F79 AromaticContact CE2-CE2 3.27Å; Y38-F79 HydrophobicContact CE2-CE2 3.27Å; Y38-F79 AromaticContact CE2-CZ 3.58Å; Y38-F79 HydrophobicContact CE2-CZ 3.58Å; Y38-F79 HydrophobicContact CG-CE2 4.36Å; Y38-F79 AromaticContact CZ-CE2 3.89Å; Y38-F79 AromaticContact CZ-CZ 3.67Å |
| 39 | Q | 95.6 | Very high | 95 | Very high | 39 Ų | 39 | 31.6 Ų | 31.6 | 18% | 0.182 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.8 | -37.6 | 177.8 | -67.1 | -63.2 | -25.7 | 0 | 0 | 111.9 | E35 E36 E37 V41 M42 L43 D195 L291 | E35-Q39 HydrophobicContact CG-CG 4.34Å; E35-Q39 WeakPolarHBondContact O-CG 3.27Å; E35-Q39 PolarHBondContact O-N 3.32Å; E35-Q39 PolarHBondContact OE1-NE2 2.87Å; E36-Q39 PolarHBondContact O-N 2.98Å; E37-Q39 VanDerWaalsContact C-N 3.33Å; E37-Q39 PolarHBondContact O-N 3.1Å; Q39-V41 PolarHBondContact O-N 2.87Å; Q39-M42 PolarHBondContact O-N 3.34Å; Q39-L43 VanDerWaalsContact O-CB 3.32Å; Q39-L43 WeakPolarHBondContact O-CB 3.26Å; Q39-L43 PolarHBondContact O-N 3.47Å; Q39-D195 PolarHBondContact NE2-OD2 3.28Å; Q39-L291 HydrophobicContact CB-CD2 3.98Å |
| 40 | K | 96.3 | Very high | 95.3 | Very high | 13 Ų | 13 | 31.2 Ų | 31.2 | 6% | 0.057 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.8 | -39.7 | 173.8 | -71.9 | 173.4 | -179.6 | 168.7 | 0 | 112.1 | E36 E37 Y38 L43 F44 L291 F295 E300 M301 | E36-K40 VanDerWaalsContact O-CG 3.29Å; E36-K40 WeakPolarHBondContact O-CG 3.36Å; E36-K40 PolarHBondContact O-N 2.56Å; E36-K40 WeakPolarHBondContact OE1-CE 3.39Å; E36-K40 IonicContact OE1-NZ 2.71Å; E36-K40 PolarHBondContact OE1-NZ 3.48Å; E37-K40 PolarHBondContact O-N 2.72Å; Y38-K40 VanDerWaalsContact C-N 3.32Å; Y38-K40 PolarHBondContact O-N 2.87Å; K40-L43 PolarHBondContact O-N 3.16Å; K40-F44 WeakPolarHBondContact O-CB 3.37Å; K40-F44 PolarHBondContact O-N 3.43Å; K40-L291 HydrophobicContact CG-CD1 4.11Å; K40-L291 HydrophobicContact CG-CD2 4.5Å; K40-F295 HydrophobicContact CB-CD2 4.46Å; K40-F295 HydrophobicContact CB-CE2 4.09Å; K40-F295 HydrophobicContact CB-CZ 4.25Å; K40-F295 HydrophobicContact CD-CD2 3.77Å; K40-F295 HydrophobicContact CD-CE2 4.01Å; K40-F295 HydrophobicContact CG-CD2 3.9Å; K40-F295 HydrophobicContact CG-CE2 4.03Å; K40-F295 HydrophobicContact CG-CG 4.26Å; K40-F295 HydrophobicContact CG-CZ 4.5Å; K40-E300 WeakPolarHBondContact CE-OE2 3.01Å; K40-E300 IonicContact NZ-OE1 2.63Å; K40-E300 IonicContact NZ-OE2 3.48Å; K40-E300 PolarHBondContact NZ-OE2 2.95Å; K40-M301 VanDerWaalsContact C-CE 3.46Å; K40-M301 HydrophobicContact CB-CE 3.39Å; K40-M301 WeakPolarHBondContact O-CE 3.44Å |
| 41 | V | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.3 | -47 | 173.5 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | L32 E37 Y38 Q39 L43 F44 F45 F79 I304 L305 L309 | L32-V41 HydrophobicContact CD1-CG2 4.18Å; L32-V41 HydrophobicContact CD2-CG2 4.39Å; E37-V41 WeakPolarHBondContact O-CG2 3.07Å; E37-V41 PolarHBondContact O-N 3.27Å; Y38-V41 WeakPolarHBondContact O-CB 3.43Å; Y38-V41 PolarHBondContact O-N 3.3Å; Q39-V41 PolarHBondContact O-N 2.87Å; V41-L43 VanDerWaalsContact C-N 3.33Å; V41-L43 PolarHBondContact O-N 2.66Å; V41-F44 PolarHBondContact O-N 2.96Å; V41-F45 HydrophobicContact CG1-CD2 3.88Å; V41-F45 HydrophobicContact CG1-CE2 4.06Å; V41-F45 WeakPolarHBondContact O-CD2 3.46Å; V41-F45 PolarHBondContact O-N 3.26Å; V41-F79 HydrophobicContact CB-CE2 4.3Å; V41-F79 HydrophobicContact CB-CZ 4.27Å; V41-F79 HydrophobicContact CG1-CD2 4.48Å; V41-F79 HydrophobicContact CG1-CE1 4.1Å; V41-F79 HydrophobicContact CG1-CE2 3.85Å; V41-F79 HydrophobicContact CG1-CZ 3.65Å; V41-I304 HydrophobicContact CG2-CG2 3.46Å; V41-I304 VanDerWaalsContact CG2-CG2 3.46Å; V41-L305 HydrophobicContact CG1-CD2 4.36Å; V41-L305 HydrophobicContact CG2-CD2 4.31Å; V41-L309 HydrophobicContact CG1-CD1 4.21Å; V41-L309 HydrophobicContact CG2-CD1 4.04Å |
| 42 | M | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.5 | -38.3 | 178.1 | -67.5 | -61.6 | -70.5 | 0 | 0 | 112.5 | Y38 Q39 T46 F70 K71 F79 | Y38-M42 HydrophobicContact CD1-CG 3.93Å; Y38-M42 HydrophobicContact CE1-CG 3.42Å; Y38-M42 VanDerWaalsContact CE1-CG 3.42Å; Y38-M42 HydrophobicContact CE1-SD 4.07Å; Y38-M42 WeakPolarHBondContact O-CG 3.41Å; Y38-M42 PolarHBondContact O-N 3.25Å; Q39-M42 PolarHBondContact O-N 3.34Å; M42-T46 WeakPolarHBondContact O-CB 3.41Å; M42-T46 PolarHBondContact O-N 3.36Å; M42-T46 PolarHBondContact O-OG1 3.3Å; M42-F70 HydrophobicContact CE-CD1 3.89Å; M42-F70 HydrophobicContact CE-CE1 3.86Å; M42-F70 HydrophobicContact SD-CD1 4.48Å; M42-F70 HydrophobicContact SD-CE1 3.85Å; M42-K71 HydrophobicContact CE-CB 4.4Å; M42-K71 HydrophobicContact CE-CG 3.66Å; M42-F79 HydrophobicContact CG-CZ 4.23Å; M42-F79 HydrophobicContact SD-CE1 3.8Å; M42-F79 HydrophobicContact SD-CZ 3.65Å |
| 43 | L | 97.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.016 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.4 | -48.5 | 175.4 | -179.2 | 60.5 | 0 | 0 | 0 | 110.9 | Q39 K40 V41 F45 T46 D47 R193 L288 F295 | Q39-L43 VanDerWaalsContact O-CB 3.32Å; Q39-L43 WeakPolarHBondContact O-CB 3.26Å; Q39-L43 PolarHBondContact O-N 3.47Å; K40-L43 PolarHBondContact O-N 3.16Å; V41-L43 VanDerWaalsContact C-N 3.33Å; V41-L43 PolarHBondContact O-N 2.66Å; L43-F45 PolarHBondContact O-N 3.4Å; L43-T46 VanDerWaalsContact O-CB 3.29Å; L43-T46 WeakPolarHBondContact O-CB 3.11Å; L43-T46 PolarHBondContact O-N 2.93Å; L43-T46 VanDerWaalsContact O-N 3.12Å; L43-D47 PolarHBondContact O-N 3.02Å; L43-D47 VanDerWaalsContact O-N 3.09Å; L43-R193 HydrophobicContact CD1-CB 3.87Å; L43-R193 HydrophobicContact CD1-CG 3.85Å; L43-L288 HydrophobicContact CD1-CD1 4.08Å; L43-F295 HydrophobicContact CD2-CD1 3.74Å; L43-F295 HydrophobicContact CD2-CE1 4.02Å; L43-F295 HydrophobicContact CG-CE1 4.46Å |
| 44 | F | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -56.1 | -49.6 | 177 | 174.7 | -96.1 | 0 | 0 | 0 | 112 | K40 V41 T46 D47 V48 W85 Y121 Y124 E297 M301 L305 | K40-F44 WeakPolarHBondContact O-CB 3.37Å; K40-F44 PolarHBondContact O-N 3.43Å; V41-F44 PolarHBondContact O-N 2.96Å; F44-T46 VanDerWaalsContact C-N 3.29Å; F44-T46 PolarHBondContact O-N 3.08Å; F44-D47 PolarHBondContact O-N 3.07Å; F44-D47 VanDerWaalsContact O-N 3.16Å; F44-V48 HydrophobicContact CD1-CG2 4.16Å; F44-V48 HydrophobicContact CE1-CG2 3.72Å; F44-V48 HydrophobicContact CZ-CG2 3.93Å; F44-V48 WeakPolarHBondContact O-CG2 3.48Å; F44-V48 PolarHBondContact O-N 3.3Å; F44-W85 AromaticContact CE1-CH2 3.78Å; F44-W85 HydrophobicContact CE1-CH2 3.78Å; F44-W85 AromaticContact CE1-CZ2 3.56Å; F44-W85 HydrophobicContact CE1-CZ2 3.56Å; F44-W85 AromaticContact CZ-CH2 3.74Å; F44-W85 HydrophobicContact CZ-CH2 3.74Å; F44-W85 AromaticContact CZ-CZ2 3.73Å; F44-W85 HydrophobicContact CZ-CZ2 3.73Å; F44-Y121 AromaticContact CE2-CD1 3.88Å; F44-Y121 HydrophobicContact CE2-CD1 3.88Å; F44-Y121 AromaticContact CE2-CE1 3.78Å; F44-Y121 HydrophobicContact CE2-CE1 3.78Å; F44-Y121 AromaticContact CZ-CD1 3.69Å; F44-Y121 HydrophobicContact CZ-CD1 3.69Å; F44-Y121 AromaticContact CZ-CE1 3.92Å; F44-Y121 HydrophobicContact CZ-CE1 3.92Å; F44-Y124 HydrophobicContact CE2-CD2 4.34Å; F44-Y124 HydrophobicContact CE2-CE1 4.38Å; F44-Y124 AromaticContact CE2-CE2 3.55Å; F44-Y124 HydrophobicContact CE2-CE2 3.55Å; F44-Y124 AromaticContact CE2-CZ 3.55Å; F44-Y124 WeakPolarHBondContact CE2-OH 3.36Å; F44-Y124 AromaticContact CZ-CD2 3.8Å; F44-Y124 HydrophobicContact CZ-CD2 3.8Å; F44-Y124 HydrophobicContact CZ-CE1 4.33Å; F44-Y124 AromaticContact CZ-CE2 3.48Å; F44-Y124 HydrophobicContact CZ-CE2 3.48Å; F44-Y124 VanDerWaalsContact CZ-CE2 3.48Å; F44-Y124 HydrophobicContact CZ-CG 4.37Å; F44-Y124 AromaticContact CZ-CZ 3.75Å; F44-E297 HydrophobicContact CD2-CG 3.9Å; F44-E297 HydrophobicContact CE2-CG 4.34Å; F44-E297 WeakPolarHBondContact CE2-OE1 3.44Å; F44-M301 HydrophobicContact CB-CE 4.42Å; F44-M301 HydrophobicContact CB-CG 4.22Å; F44-M301 HydrophobicContact CB-SD 3.7Å; F44-M301 HydrophobicContact CD1-SD 4.44Å; F44-M301 HydrophobicContact CD2-CB 4.41Å; F44-M301 HydrophobicContact CD2-CG 3.76Å; F44-M301 HydrophobicContact CD2-SD 4.18Å; F44-M301 HydrophobicContact CE2-CG 4.38Å; F44-M301 HydrophobicContact CG-CG 4.06Å; F44-M301 HydrophobicContact CG-SD 3.84Å; F44-L305 HydrophobicContact CD1-CD1 3.71Å; F44-L305 HydrophobicContact CE1-CD1 3.41Å; F44-L305 VanDerWaalsContact CE1-CD1 3.41Å; F44-L305 HydrophobicContact CG-CD1 4.43Å; F44-L305 HydrophobicContact CZ-CD1 3.9Å |
| 45 | F | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 0% | 0.004 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -71.5 | -23.7 | 179 | -79.5 | -72.2 | 0 | 0 | 0 | 113.6 | V41 L43 D47 V48 I49 F70 P84 W85 L305 | V41-F45 HydrophobicContact CG1-CD2 3.88Å; V41-F45 HydrophobicContact CG1-CE2 4.06Å; V41-F45 WeakPolarHBondContact O-CD2 3.46Å; V41-F45 PolarHBondContact O-N 3.26Å; L43-F45 PolarHBondContact O-N 3.4Å; F45-D47 VanDerWaalsContact C-N 3.34Å; F45-V48 HydrophobicContact CD1-CB 4.3Å; F45-V48 HydrophobicContact CD1-CG1 4.48Å; F45-V48 HydrophobicContact CD1-CG2 4.34Å; F45-V48 PolarHBondContact O-N 2.87Å; F45-I49 VanDerWaalsContact O-CG1 3.29Å; F45-I49 WeakPolarHBondContact O-CG1 3.39Å; F45-I49 PolarHBondContact O-N 3.2Å; F45-F70 HydrophobicContact CB-CE1 3.81Å; F45-F70 HydrophobicContact CB-CE2 4.14Å; F45-F70 HydrophobicContact CB-CZ 3.4Å; F45-F70 VanDerWaalsContact CB-CZ 3.4Å; F45-F70 HydrophobicContact CD1-CZ 4.49Å; F45-F70 HydrophobicContact CD2-CZ 4.37Å; F45-F70 HydrophobicContact CG-CE2 4.48Å; F45-F70 AromaticContact CG-CZ 3.85Å; F45-F70 HydrophobicContact CG-CZ 3.85Å; F45-P84 HydrophobicContact CD1-CB 3.78Å; F45-P84 HydrophobicContact CD2-CB 3.62Å; F45-P84 HydrophobicContact CD2-CG 4.35Å; F45-P84 HydrophobicContact CE1-CB 3.57Å; F45-P84 HydrophobicContact CE2-CB 3.39Å; F45-P84 HydrophobicContact CE2-CG 4Å; F45-P84 HydrophobicContact CG-CB 3.83Å; F45-P84 HydrophobicContact CZ-CB 3.39Å; F45-P84 HydrophobicContact CZ-CG 4.29Å; F45-W85 AromaticContact CE1-CD2 3.7Å; F45-W85 HydrophobicContact CE1-CD2 3.7Å; F45-W85 AromaticContact CE1-CE2 3.82Å; F45-W85 HydrophobicContact CE1-CE3 4.1Å; F45-W85 AromaticContact CE1-CG 3.9Å; F45-W85 HydrophobicContact CE1-CG 3.9Å; F45-W85 HydrophobicContact CE1-CZ2 4.32Å; F45-W85 AromaticContact CZ-CD1 3.84Å; F45-W85 HydrophobicContact CZ-CD2 4.11Å; F45-W85 AromaticContact CZ-CE2 3.83Å; F45-W85 HydrophobicContact CZ-CG 4.12Å; F45-W85 HydrophobicContact CZ-CZ2 4.38Å; F45-W85 AromaticContact CZ-NE1 3.66Å; F45-L305 HydrophobicContact CE2-CD1 4.46Å; F45-L305 HydrophobicContact CE2-CD2 3.86Å; F45-L305 HydrophobicContact CZ-CD1 4.48Å; F45-L305 HydrophobicContact CZ-CD2 4.43Å |
| 46 | T | 98.6 | Very high | 97 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 168.5 | -64.4 | 0 | 0 | 0 | 0 | 110.6 | M42 L43 F44 I49 Q50 L67 R193 | M42-T46 WeakPolarHBondContact O-CB 3.41Å; M42-T46 PolarHBondContact O-N 3.36Å; M42-T46 PolarHBondContact O-OG1 3.3Å; L43-T46 VanDerWaalsContact O-CB 3.29Å; L43-T46 WeakPolarHBondContact O-CB 3.11Å; L43-T46 PolarHBondContact O-N 2.93Å; L43-T46 VanDerWaalsContact O-N 3.12Å; F44-T46 VanDerWaalsContact C-N 3.29Å; F44-T46 PolarHBondContact O-N 3.08Å; T46-I49 PolarHBondContact O-N 3.06Å; T46-Q50 WeakPolarHBondContact O-CG 3.47Å; T46-Q50 PolarHBondContact O-N 2.69Å; T46-L67 HydrophobicContact CG2-CD1 3.87Å; T46-L67 HydrophobicContact CG2-CD2 3.62Å; T46-L67 HydrophobicContact CG2-CG 4.39Å; T46-R193 HydrophobicContact CG2-CB 4.46Å; T46-R193 HydrophobicContact CG2-CG 3.63Å |
| 47 | D | 98.1 | Very high | 97 | Very high | 25 Ų | 25 | 25.6 Ų | 25.6 | 13% | 0.134 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68.6 | -36.6 | 177.6 | -67.6 | -29.4 | 0 | 0 | 0 | 112.2 | L43 F44 F45 Q50 A51 R193 | L43-D47 PolarHBondContact O-N 3.02Å; L43-D47 VanDerWaalsContact O-N 3.09Å; F44-D47 PolarHBondContact O-N 3.07Å; F44-D47 VanDerWaalsContact O-N 3.16Å; F45-D47 VanDerWaalsContact C-N 3.34Å; D47-Q50 PolarHBondContact O-N 2.76Å; D47-A51 WeakPolarHBondContact O-CB 3.46Å; D47-A51 PolarHBondContact O-N 3.03Å; D47-R193 IonicContact OD1-CZ 3.7Å; D47-R193 IonicContact OD1-NE 3.41Å; D47-R193 PolarHBondContact OD1-NE 2.77Å; D47-R193 IonicContact OD1-NH2 3.73Å; D47-R193 PolarHBondContact OD1-NH2 2.93Å |
| 48 | V | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.5 | -47.1 | 171.9 | 173 | 0 | 0 | 0 | 0 | 111.4 | F44 F45 Q50 A51 F52 W85 A88 Y121 | F44-V48 HydrophobicContact CD1-CG2 4.16Å; F44-V48 HydrophobicContact CE1-CG2 3.72Å; F44-V48 HydrophobicContact CZ-CG2 3.93Å; F44-V48 WeakPolarHBondContact O-CG2 3.48Å; F44-V48 PolarHBondContact O-N 3.3Å; F45-V48 HydrophobicContact CD1-CB 4.3Å; F45-V48 HydrophobicContact CD1-CG1 4.48Å; F45-V48 HydrophobicContact CD1-CG2 4.34Å; F45-V48 PolarHBondContact O-N 2.87Å; V48-Q50 VanDerWaalsContact C-N 3.32Å; V48-Q50 PolarHBondContact O-N 2.81Å; V48-A51 PolarHBondContact O-N 3.09Å; V48-F52 HydrophobicContact CG1-CD2 3.97Å; V48-F52 HydrophobicContact CG1-CE1 4.17Å; V48-F52 HydrophobicContact CG1-CE2 3.5Å; V48-F52 HydrophobicContact CG1-CG 4.49Å; V48-F52 HydrophobicContact CG1-CZ 3.62Å; V48-F52 WeakPolarHBondContact O-CG 3.31Å; V48-F52 PolarHBondContact O-N 2.92Å; V48-W85 HydrophobicContact CG1-CE3 4.3Å; V48-W85 HydrophobicContact CG1-CZ3 3.83Å; V48-W85 HydrophobicContact CG2-CH2 3.98Å; V48-W85 HydrophobicContact CG2-CZ3 4Å; V48-A88 HydrophobicContact CG1-CB 4.5Å; V48-Y121 HydrophobicContact CG2-CD1 4.2Å; V48-Y121 HydrophobicContact CG2-CE1 3.76Å; V48-Y121 HydrophobicContact CG2-CE2 4.29Å |
| 49 | I | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 177.6 | -69.9 | 165.9 | 0 | 0 | 0 | 110.7 | F45 T46 F52 G53 I63 A66 L67 F70 A88 | F45-I49 VanDerWaalsContact O-CG1 3.29Å; F45-I49 WeakPolarHBondContact O-CG1 3.39Å; F45-I49 PolarHBondContact O-N 3.2Å; T46-I49 PolarHBondContact O-N 3.06Å; I49-F52 PolarHBondContact O-N 2.77Å; I49-G53 PolarHBondContact O-N 3.09Å; I49-I63 HydrophobicContact CG2-CG2 4.39Å; I49-A66 HydrophobicContact CG2-CB 3.95Å; I49-L67 HydrophobicContact CB-CD2 3.77Å; I49-L67 HydrophobicContact CD1-CD2 3.88Å; I49-L67 HydrophobicContact CG1-CD2 4.43Å; I49-L67 HydrophobicContact CG2-CD2 3.74Å; I49-L67 HydrophobicContact CG2-CG 4.2Å; I49-F70 HydrophobicContact CD1-CB 3.71Å; I49-F70 HydrophobicContact CD1-CD1 4.26Å; I49-F70 HydrophobicContact CD1-CD2 3.6Å; I49-F70 HydrophobicContact CD1-CE2 4.23Å; I49-F70 HydrophobicContact CD1-CG 3.6Å; I49-A88 HydrophobicContact CD1-CB 4.12Å; I49-A88 HydrophobicContact CG1-CB 3.56Å |
| 50 | Q | 98.5 | Very high | 96.9 | Very high | 18 Ų | 18 | 29.5 Ų | 29.5 | 8% | 0.084 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.8 | -42.9 | 174.9 | -72.4 | -176.3 | 24.6 | 0 | 0 | 112 | T46 D47 V48 G53 K54 I63 L67 R193 | T46-Q50 WeakPolarHBondContact O-CG 3.47Å; T46-Q50 PolarHBondContact O-N 2.69Å; D47-Q50 PolarHBondContact O-N 2.76Å; V48-Q50 VanDerWaalsContact C-N 3.32Å; V48-Q50 PolarHBondContact O-N 2.81Å; Q50-G53 PolarHBondContact O-N 3.25Å; Q50-K54 WeakPolarHBondContact O-CB 3.5Å; Q50-K54 VanDerWaalsContact O-CG 3.28Å; Q50-K54 WeakPolarHBondContact O-CG 3.5Å; Q50-K54 PolarHBondContact O-N 3.48Å; Q50-I63 HydrophobicContact CG-CG2 3.89Å; Q50-L67 HydrophobicContact CG-CD1 4.45Å; Q50-R193 VanDerWaalsContact NE2-CZ 3.32Å |
| 51 | A | 98.6 | Very high | 96.9 | Very high | 24 Ų | 24 | 31.7 Ų | 31.7 | 20% | 0.198 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.9 | -44 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D47 V48 K54 S55 V116 Y121 | D47-A51 WeakPolarHBondContact O-CB 3.46Å; D47-A51 PolarHBondContact O-N 3.03Å; V48-A51 PolarHBondContact O-N 3.09Å; A51-K54 PolarHBondContact O-N 3.13Å; A51-S55 WeakPolarHBondContact O-CB 3.39Å; A51-S55 PolarHBondContact O-N 2.89Å; A51-S55 PolarHBondContact O-OG 3.1Å; A51-V116 HydrophobicContact CB-CG1 3.77Å; A51-Y121 HydrophobicContact CB-CE2 4.25Å |
| 52 | F | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.2 | -49.2 | 173.7 | -69.4 | -12.8 | 0 | 0 | 0 | 111.5 | V48 I49 K54 S55 V56 A88 P89 L92 C113 V116 V117 | V48-F52 HydrophobicContact CG1-CD2 3.97Å; V48-F52 HydrophobicContact CG1-CE1 4.17Å; V48-F52 HydrophobicContact CG1-CE2 3.5Å; V48-F52 HydrophobicContact CG1-CG 4.49Å; V48-F52 HydrophobicContact CG1-CZ 3.62Å; V48-F52 WeakPolarHBondContact O-CG 3.31Å; V48-F52 PolarHBondContact O-N 2.92Å; I49-F52 PolarHBondContact O-N 2.77Å; F52-K54 PolarHBondContact O-N 3.1Å; F52-S55 PolarHBondContact O-N 3.29Å; F52-S55 VanDerWaalsContact O-N 3.12Å; F52-S55 PolarHBondContact O-OG 2.94Å; F52-V56 WeakPolarHBondContact O-CG2 3.45Å; F52-V56 PolarHBondContact O-N 3.37Å; F52-A88 HydrophobicContact CE2-CB 4.4Å; F52-P89 HydrophobicContact CD2-CB 4.42Å; F52-L92 HydrophobicContact CB-CD2 3.82Å; F52-C113 HydrophobicContact CD1-CB 4.23Å; F52-C113 HydrophobicContact CE1-CB 3.93Å; F52-C113 HydrophobicContact CE2-CB 4.32Å; F52-C113 HydrophobicContact CZ-CB 3.97Å; F52-V116 HydrophobicContact CD1-CB 3.83Å; F52-V116 HydrophobicContact CD1-CG1 3.71Å; F52-V116 HydrophobicContact CD1-CG2 4.23Å; F52-V116 HydrophobicContact CE1-CB 3.83Å; F52-V116 HydrophobicContact CE1-CG1 3.7Å; F52-V117 HydrophobicContact CE1-CG2 4.04Å; F52-V117 HydrophobicContact CZ-CG2 3.94Å |
| 53 | G | 96.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.7 | -45.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I49 Q50 S55 V56 E57 V58 | I49-G53 PolarHBondContact O-N 3.09Å; Q50-G53 PolarHBondContact O-N 3.25Å; G53-S55 PolarHBondContact O-N 2.87Å; G53-V56 WeakPolarHBondContact O-CG2 3.46Å; G53-V56 PolarHBondContact O-N 3.14Å; G53-E57 PolarHBondContact O-N 3.39Å; G53-V58 WeakPolarHBondContact O-CG2 3.32Å; G53-V58 PolarHBondContact O-N 3.42Å |
| 54 | K | 96.1 | Very high | 97 | Very high | 123 Ų | 123 | 31.7 Ų | 31.7 | 54% | 0.535 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.4 | -41.4 | 175.9 | -73 | 173.1 | -178.3 | 175.2 | 0 | 112 | Q50 A51 F52 V56 E57 | Q50-K54 WeakPolarHBondContact O-CB 3.5Å; Q50-K54 VanDerWaalsContact O-CG 3.28Å; Q50-K54 WeakPolarHBondContact O-CG 3.5Å; Q50-K54 PolarHBondContact O-N 3.48Å; A51-K54 PolarHBondContact O-N 3.13Å; F52-K54 PolarHBondContact O-N 3.1Å; K54-V56 PolarHBondContact O-N 2.69Å; K54-E57 PolarHBondContact O-N 3.17Å |
| 55 | S | 96.4 | Very high | 97 | Very high | 43 Ų | 43 | 31.7 Ų | 31.7 | 30% | 0.301 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -68.9 | -14.8 | -179.1 | 73.4 | 0 | 0 | 0 | 0 | 115.1 | A51 F52 G53 S112 V116 | A51-S55 WeakPolarHBondContact O-CB 3.39Å; A51-S55 PolarHBondContact O-N 2.89Å; A51-S55 PolarHBondContact O-OG 3.1Å; F52-S55 PolarHBondContact O-N 3.29Å; F52-S55 VanDerWaalsContact O-N 3.12Å; F52-S55 PolarHBondContact O-OG 2.94Å; G53-S55 PolarHBondContact O-N 2.87Å; S55-S112 PolarHBondContact O-OG 3.42Å; S55-S112 WeakPolarHBondContact OG-CB 3.47Å; S55-V116 VanDerWaalsContact CB-CG2 3.46Å |
| 56 | V | 95.3 | Very high | 97 | Very high | 28 Ų | 28 | 31.6 Ų | 31.6 | 17% | 0.17 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | 11.7 | 171.2 | -61.4 | 0 | 0 | 0 | 0 | 112.3 | F52 G53 K54 V58 L92 L109 | F52-V56 WeakPolarHBondContact O-CG2 3.45Å; F52-V56 PolarHBondContact O-N 3.37Å; G53-V56 WeakPolarHBondContact O-CG2 3.46Å; G53-V56 PolarHBondContact O-N 3.14Å; K54-V56 PolarHBondContact O-N 2.69Å; V56-V58 HydrophobicContact CG2-CG1 3.9Å; V56-V58 HydrophobicContact CG2-CG2 4.17Å; V56-V58 PolarHBondContact O-N 3.45Å; V56-V58 VanDerWaalsContact O-N 3.16Å; V56-L92 HydrophobicContact CG2-CD2 4.17Å; V56-L109 HydrophobicContact CG1-CD1 4.09Å |
| 57 | E | 93.4 | Very high | 97 | Very high | 182 Ų | 182 | 31.6 Ų | 31.6 | 85% | 0.85 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 32.3 | 174.1 | -56.1 | -177.3 | 163.4 | 0 | 0 | 114.5 | G53 K54 | G53-E57 PolarHBondContact O-N 3.39Å; K54-E57 PolarHBondContact O-N 3.17Å |
| 58 | V | 94.3 | Very high | 97.1 | Very high | 23 Ų | 23 | 30.6 Ų | 30.6 | 14% | 0.139 | 15% | 0.15 | C | C | . | . | trans | -77.7 | 153.9 | 174.7 | -66.5 | 0 | 0 | 0 | 0 | 111.6 | G53 V56 V62 I63 L92 V104 | G53-V58 WeakPolarHBondContact O-CG2 3.32Å; G53-V58 PolarHBondContact O-N 3.42Å; V56-V58 HydrophobicContact CG2-CG1 3.9Å; V56-V58 HydrophobicContact CG2-CG2 4.17Å; V56-V58 PolarHBondContact O-N 3.45Å; V56-V58 VanDerWaalsContact O-N 3.16Å; V58-V62 HydrophobicContact CB-CB 4.03Å; V58-V62 HydrophobicContact CB-CG1 4.11Å; V58-V62 HydrophobicContact CB-CG2 4.34Å; V58-V62 HydrophobicContact CG1-CG1 4.36Å; V58-V62 HydrophobicContact CG2-CB 4.15Å; V58-V62 HydrophobicContact CG2-CG1 4.12Å; V58-I63 HydrophobicContact CG2-CD1 4.28Å; V58-I63 HydrophobicContact CG2-CG1 3.75Å; V58-L92 HydrophobicContact CG2-CD1 4.02Å; V58-V104 HydrophobicContact CG1-CG2 3.7Å | ||
| 59 | R | 93.8 | Very high | 97.1 | Very high | 96 Ų | 96 | 30.6 Ų | 30.6 | 36% | 0.362 | 15% | 0.15 | S | C | . | . | trans | -62.8 | 151.1 | 176.3 | -67.8 | -179.1 | 172.9 | 83.4 | -4.3 | 111.1 | Q61 V62 I63 F101 S239 | R59-Q61 PolarHBondContact O-N 2.95Å; R59-Q61 VanDerWaalsContact O-N 3.1Å; R59-V62 HydrophobicContact CB-CG2 4.47Å; R59-V62 WeakPolarHBondContact O-CB 3.3Å; R59-V62 PolarHBondContact O-N 3.49Å; R59-I63 PolarHBondContact O-N 3.09Å; R59-F101 VanDerWaalsContact CZ-CD1 3.47Å; R59-S239 PolarHBondContact NE-OG 2.91Å; R59-S239 PolarHBondContact NH2-OG 2.95Å; R59-S239 VanDerWaalsContact NH2-OG 3.12Å | ||
| 60 | Q | 95.2 | Very high | 97.1 | Very high | 40 Ų | 40 | 30.6 Ų | 30.6 | 19% | 0.187 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -52.4 | -35.9 | 175.7 | 178.9 | 56.1 | 37.7 | 0 | 0 | 113.1 | V62 I63 A64 Y159 N189 | Q60-V62 VanDerWaalsContact C-N 3.33Å; Q60-V62 PolarHBondContact O-N 2.92Å; Q60-I63 PolarHBondContact O-N 2.58Å; Q60-A64 WeakPolarHBondContact O-CB 3.36Å; Q60-A64 PolarHBondContact O-N 3.49Å; Q60-Y159 WeakPolarHBondContact CG-OH 3.5Å; Q60-Y159 PolarHBondContact NE2-OH 3.31Å; Q60-N189 PolarHBondContact NE2-OD1 3.36Å |
| 61 | Q | 95.8 | Very high | 97.1 | Very high | 58 Ų | 58 | 29.8 Ų | 29.8 | 27% | 0.271 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -61.3 | -39 | 177.1 | -177.8 | 167.7 | -20.4 | 0 | 0 | 112.8 | R59 I63 A64 T65 E99 | R59-Q61 PolarHBondContact O-N 2.95Å; R59-Q61 VanDerWaalsContact O-N 3.1Å; Q61-I63 VanDerWaalsContact C-N 3.34Å; Q61-A64 PolarHBondContact O-N 2.88Å; Q61-T65 PolarHBondContact O-N 3.42Å; Q61-T65 PolarHBondContact O-OG1 2.79Å; Q61-E99 PolarHBondContact NE2-OE2 3.31Å |
| 62 | V | 97.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.1 | -42.7 | 175.5 | -179 | 0 | 0 | 0 | 0 | 110.5 | V58 R59 Q60 T65 A66 L92 A95 E99 F101 | V58-V62 HydrophobicContact CB-CB 4.03Å; V58-V62 HydrophobicContact CB-CG1 4.11Å; V58-V62 HydrophobicContact CB-CG2 4.34Å; V58-V62 HydrophobicContact CG1-CG1 4.36Å; V58-V62 HydrophobicContact CG2-CB 4.15Å; V58-V62 HydrophobicContact CG2-CG1 4.12Å; R59-V62 HydrophobicContact CB-CG2 4.47Å; R59-V62 WeakPolarHBondContact O-CB 3.3Å; R59-V62 PolarHBondContact O-N 3.49Å; Q60-V62 VanDerWaalsContact C-N 3.33Å; Q60-V62 PolarHBondContact O-N 2.92Å; V62-T65 PolarHBondContact O-N 3.26Å; V62-A66 PolarHBondContact O-N 3.34Å; V62-L92 HydrophobicContact CG1-CD1 4.37Å; V62-A95 HydrophobicContact CG1-CB 4.1Å; V62-A95 WeakPolarHBondContact O-CB 3.27Å; V62-E99 HydrophobicContact CG2-CB 4.06Å; V62-F101 HydrophobicContact CG2-CB 4.05Å; V62-F101 HydrophobicContact CG2-CD2 3.96Å; V62-F101 HydrophobicContact CG2-CG 4.47Å |
| 63 | I | 98.1 | Very high | 97.1 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 177.2 | -56.2 | -180 | 0 | 0 | 0 | 110.1 | I49 Q50 V58 R59 Q60 Q61 T65 A66 L67 | I49-I63 HydrophobicContact CG2-CG2 4.39Å; Q50-I63 HydrophobicContact CG-CG2 3.89Å; V58-I63 HydrophobicContact CG2-CD1 4.28Å; V58-I63 HydrophobicContact CG2-CG1 3.75Å; R59-I63 PolarHBondContact O-N 3.09Å; Q60-I63 PolarHBondContact O-N 2.58Å; Q61-I63 VanDerWaalsContact C-N 3.34Å; I63-T65 VanDerWaalsContact C-N 3.34Å; I63-T65 PolarHBondContact O-N 3.48Å; I63-A66 WeakPolarHBondContact O-CB 3.27Å; I63-A66 PolarHBondContact O-N 3.44Å; I63-L67 HydrophobicContact CG2-CD1 4.39Å; I63-L67 WeakPolarHBondContact O-CG 3.5Å; I63-L67 PolarHBondContact O-N 3.2Å |
| 64 | A | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.5 | -44 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | Q60 Q61 A66 L67 V68 Y159 F192 | Q60-A64 WeakPolarHBondContact O-CB 3.36Å; Q60-A64 PolarHBondContact O-N 3.49Å; Q61-A64 PolarHBondContact O-N 2.88Å; A64-A66 PolarHBondContact O-N 2.86Å; A64-L67 PolarHBondContact O-N 3.25Å; A64-V68 WeakPolarHBondContact O-CG2 3.33Å; A64-V68 PolarHBondContact O-N 3.36Å; A64-Y159 HydrophobicContact CB-CE2 3.93Å; A64-F192 HydrophobicContact CB-CD2 4.21Å; A64-F192 HydrophobicContact CB-CE1 4.17Å; A64-F192 HydrophobicContact CB-CE2 3.72Å; A64-F192 HydrophobicContact CB-CZ 3.69Å |
| 65 | T | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.8 | -42 | 175.1 | -63 | 0 | 0 | 0 | 0 | 111.6 | Q61 V62 I63 L67 V68 Y69 A95 E99 V155 H157 | Q61-T65 PolarHBondContact O-N 3.42Å; Q61-T65 PolarHBondContact O-OG1 2.79Å; V62-T65 PolarHBondContact O-N 3.26Å; I63-T65 VanDerWaalsContact C-N 3.34Å; I63-T65 PolarHBondContact O-N 3.48Å; T65-L67 VanDerWaalsContact C-N 3.35Å; T65-L67 PolarHBondContact O-N 3.25Å; T65-V68 PolarHBondContact O-N 2.7Å; T65-Y69 HydrophobicContact CG2-CD2 4.23Å; T65-Y69 HydrophobicContact CG2-CE1 3.95Å; T65-Y69 HydrophobicContact CG2-CE2 3.65Å; T65-Y69 VanDerWaalsContact CG2-CZ 3.48Å; T65-Y69 PolarHBondContact O-N 3.3Å; T65-A95 HydrophobicContact CG2-CB 3.75Å; T65-E99 HydrophobicContact CG2-CG 4.2Å; T65-E99 PolarHBondContact OG1-OE1 3.34Å; T65-V155 HydrophobicContact CG2-CB 4.37Å; T65-V155 HydrophobicContact CG2-CG2 4Å; T65-H157 PolarHBondContact N-CE1 3.14Å; T65-H157 PolarHBondContact OG1-CE1 3.27Å; T65-H157 PolarHBondContact OG1-NE2 3.08Å |
| 66 | A | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.9 | -42 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I49 V62 I63 A64 V68 Y69 F70 C91 L92 A95 | I49-A66 HydrophobicContact CG2-CB 3.95Å; V62-A66 PolarHBondContact O-N 3.34Å; I63-A66 WeakPolarHBondContact O-CB 3.27Å; I63-A66 PolarHBondContact O-N 3.44Å; A64-A66 PolarHBondContact O-N 2.86Å; A66-V68 VanDerWaalsContact C-N 3.35Å; A66-Y69 PolarHBondContact O-N 3.03Å; A66-F70 WeakPolarHBondContact O-CB 3.26Å; A66-F70 PolarHBondContact O-N 3.02Å; A66-C91 HydrophobicContact CB-CB 4.25Å; A66-C91 WeakPolarHBondContact O-CB 3.35Å; A66-L92 HydrophobicContact CB-CB 4.23Å; A66-L92 HydrophobicContact CB-CD1 4.05Å; A66-A95 HydrophobicContact CB-CB 3.92Å |
| 67 | L | 98.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.6 | -40 | 175.9 | -67.4 | 175.6 | 0 | 0 | 0 | 112 | T46 I49 Q50 I63 A64 T65 F70 K71 F192 | T46-L67 HydrophobicContact CG2-CD1 3.87Å; T46-L67 HydrophobicContact CG2-CD2 3.62Å; T46-L67 HydrophobicContact CG2-CG 4.39Å; I49-L67 HydrophobicContact CB-CD2 3.77Å; I49-L67 HydrophobicContact CD1-CD2 3.88Å; I49-L67 HydrophobicContact CG1-CD2 4.43Å; I49-L67 HydrophobicContact CG2-CD2 3.74Å; I49-L67 HydrophobicContact CG2-CG 4.2Å; Q50-L67 HydrophobicContact CG-CD1 4.45Å; I63-L67 HydrophobicContact CG2-CD1 4.39Å; I63-L67 WeakPolarHBondContact O-CG 3.5Å; I63-L67 PolarHBondContact O-N 3.2Å; A64-L67 PolarHBondContact O-N 3.25Å; T65-L67 VanDerWaalsContact C-N 3.35Å; T65-L67 PolarHBondContact O-N 3.25Å; L67-F70 PolarHBondContact O-N 3.35Å; L67-K71 WeakPolarHBondContact O-CB 3.24Å; L67-K71 WeakPolarHBondContact O-CG 3.29Å; L67-K71 PolarHBondContact O-N 2.85Å; L67-F192 HydrophobicContact CB-CB 4.42Å; L67-F192 HydrophobicContact CD1-CB 3.81Å |
| 68 | V | 98.8 | Very high | 97.1 | Very high | 4 Ų | 4 | 17.6 Ų | 17.6 | 2% | 0.024 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.8 | -45.5 | 174.3 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | A64 T65 A66 F70 K71 R72 V155 F192 C197 | A64-V68 WeakPolarHBondContact O-CG2 3.33Å; A64-V68 PolarHBondContact O-N 3.36Å; T65-V68 PolarHBondContact O-N 2.7Å; A66-V68 VanDerWaalsContact C-N 3.35Å; V68-F70 VanDerWaalsContact C-N 3.35Å; V68-F70 PolarHBondContact O-N 3.07Å; V68-K71 PolarHBondContact O-N 3.14Å; V68-R72 HydrophobicContact CG1-CG 4.13Å; V68-R72 WeakPolarHBondContact O-CB 3.39Å; V68-R72 VanDerWaalsContact O-CG 3.24Å; V68-R72 WeakPolarHBondContact O-CG 3.17Å; V68-R72 PolarHBondContact O-N 2.92Å; V68-V155 HydrophobicContact CB-CG1 4.15Å; V68-V155 HydrophobicContact CB-CG2 4.36Å; V68-V155 HydrophobicContact CG1-CG1 4.02Å; V68-V155 HydrophobicContact CG1-CG2 3.93Å; V68-V155 HydrophobicContact CG2-CG1 4Å; V68-F192 HydrophobicContact CG2-CD1 3.93Å; V68-F192 HydrophobicContact CG2-CE1 3.68Å; V68-C197 HydrophobicContact CG2-CB 4.23Å |
| 69 | Y | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.4 | -43.7 | 176.2 | -67.5 | -16 | 0 | 0 | 0 | 112.6 | T65 A66 K71 R72 F73 L94 A95 V98 M149 L153 V155 | T65-Y69 HydrophobicContact CG2-CD2 4.23Å; T65-Y69 HydrophobicContact CG2-CE1 3.95Å; T65-Y69 HydrophobicContact CG2-CE2 3.65Å; T65-Y69 VanDerWaalsContact CG2-CZ 3.48Å; T65-Y69 PolarHBondContact O-N 3.3Å; A66-Y69 PolarHBondContact O-N 3.03Å; Y69-K71 VanDerWaalsContact C-N 3.33Å; Y69-K71 PolarHBondContact O-N 3.45Å; Y69-R72 PolarHBondContact O-N 3.32Å; Y69-F73 WeakPolarHBondContact O-CB 3.5Å; Y69-F73 PolarHBondContact O-N 3.32Å; Y69-L94 HydrophobicContact CD2-CB 4.48Å; Y69-L94 HydrophobicContact CD2-CD2 4.12Å; Y69-L94 HydrophobicContact CD2-CG 4.26Å; Y69-L94 HydrophobicContact CE2-CB 4.4Å; Y69-L94 HydrophobicContact CE2-CD2 4.02Å; Y69-L94 HydrophobicContact CE2-CG 3.86Å; Y69-A95 HydrophobicContact CD2-CB 4.22Å; Y69-A95 HydrophobicContact CE2-CB 4.06Å; Y69-V98 WeakPolarHBondContact OH-CG1 3.32Å; Y69-M149 HydrophobicContact CD1-CE 3.69Å; Y69-M149 HydrophobicContact CD1-SD 3.59Å; Y69-M149 VanDerWaalsContact CD1-SD 3.59Å; Y69-M149 HydrophobicContact CD2-CE 4.24Å; Y69-M149 HydrophobicContact CE1-CE 4.08Å; Y69-M149 HydrophobicContact CE1-SD 4.29Å; Y69-M149 HydrophobicContact CG-CE 3.79Å; Y69-M149 HydrophobicContact CG-SD 4.01Å; Y69-L153 PolarHBondContact OH-O 3.5Å; Y69-V155 HydrophobicContact CD1-CG2 4.26Å; Y69-V155 HydrophobicContact CE1-CG2 3.64Å |
| 70 | F | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.3 | -46.1 | 177.1 | -174.4 | -91.2 | 0 | 0 | 0 | 111.4 | M42 F45 I49 A66 L67 V68 F73 Y74 P84 M87 A88 C91 | M42-F70 HydrophobicContact CE-CD1 3.89Å; M42-F70 HydrophobicContact CE-CE1 3.86Å; M42-F70 HydrophobicContact SD-CD1 4.48Å; M42-F70 HydrophobicContact SD-CE1 3.85Å; F45-F70 HydrophobicContact CB-CE1 3.81Å; F45-F70 HydrophobicContact CB-CE2 4.14Å; F45-F70 HydrophobicContact CB-CZ 3.4Å; F45-F70 VanDerWaalsContact CB-CZ 3.4Å; F45-F70 HydrophobicContact CD1-CZ 4.49Å; F45-F70 HydrophobicContact CD2-CZ 4.37Å; F45-F70 HydrophobicContact CG-CE2 4.48Å; F45-F70 AromaticContact CG-CZ 3.85Å; F45-F70 HydrophobicContact CG-CZ 3.85Å; I49-F70 HydrophobicContact CD1-CB 3.71Å; I49-F70 HydrophobicContact CD1-CD1 4.26Å; I49-F70 HydrophobicContact CD1-CD2 3.6Å; I49-F70 HydrophobicContact CD1-CE2 4.23Å; I49-F70 HydrophobicContact CD1-CG 3.6Å; A66-F70 WeakPolarHBondContact O-CB 3.26Å; A66-F70 PolarHBondContact O-N 3.02Å; L67-F70 PolarHBondContact O-N 3.35Å; V68-F70 VanDerWaalsContact C-N 3.35Å; V68-F70 PolarHBondContact O-N 3.07Å; F70-F73 PolarHBondContact O-N 3.43Å; F70-Y74 HydrophobicContact CD1-CD2 4.02Å; F70-Y74 HydrophobicContact CD1-CE2 4.43Å; F70-Y74 HydrophobicContact CD2-CD2 4.22Å; F70-Y74 AromaticContact CD2-CE2 3.88Å; F70-Y74 HydrophobicContact CD2-CE2 3.88Å; F70-Y74 AromaticContact CE1-CD2 3.72Å; F70-Y74 HydrophobicContact CE1-CD2 3.72Å; F70-Y74 AromaticContact CE1-CE2 3.98Å; F70-Y74 HydrophobicContact CE1-CE2 3.98Å; F70-Y74 AromaticContact CE2-CD2 3.98Å; F70-Y74 HydrophobicContact CE2-CD2 3.98Å; F70-Y74 AromaticContact CE2-CE2 3.41Å; F70-Y74 HydrophobicContact CE2-CE2 3.41Å; F70-Y74 VanDerWaalsContact CE2-CE2 3.41Å; F70-Y74 HydrophobicContact CG-CD2 4.25Å; F70-Y74 HydrophobicContact CG-CE2 4.38Å; F70-Y74 AromaticContact CZ-CD2 3.7Å; F70-Y74 HydrophobicContact CZ-CD2 3.7Å; F70-Y74 AromaticContact CZ-CE2 3.44Å; F70-Y74 HydrophobicContact CZ-CE2 3.44Å; F70-Y74 VanDerWaalsContact CZ-CE2 3.44Å; F70-Y74 WeakPolarHBondContact O-CD2 3.28Å; F70-Y74 PolarHBondContact O-N 3.44Å; F70-Y74 VanDerWaalsContact O-N 3.14Å; F70-P84 HydrophobicContact CE2-CB 4.25Å; F70-P84 HydrophobicContact CZ-CB 4.08Å; F70-M87 HydrophobicContact CD2-CB 4.36Å; F70-M87 HydrophobicContact CD2-CG 3.91Å; F70-M87 HydrophobicContact CE2-CB 4.25Å; F70-M87 HydrophobicContact CE2-CG 4.23Å; F70-A88 HydrophobicContact CE2-CB 4.39Å; F70-C91 VanDerWaalsContact CA-SG 3.55Å; F70-C91 HydrophobicContact CB-CB 4.44Å; F70-C91 PolarHBondContact N-SG 3.13Å; F70-C91 VanDerWaalsContact N-SG 3.43Å |
| 71 | K | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.8 | -40.7 | 176.4 | -76.7 | -179.6 | 177.2 | -70.3 | 0 | 112.9 | M42 L67 V68 Y69 F73 Y74 S75 F192 R193 T194 D195 C197 L198 | M42-K71 HydrophobicContact CE-CB 4.4Å; M42-K71 HydrophobicContact CE-CG 3.66Å; L67-K71 WeakPolarHBondContact O-CB 3.24Å; L67-K71 WeakPolarHBondContact O-CG 3.29Å; L67-K71 PolarHBondContact O-N 2.85Å; V68-K71 PolarHBondContact O-N 3.14Å; Y69-K71 VanDerWaalsContact C-N 3.33Å; Y69-K71 PolarHBondContact O-N 3.45Å; K71-F73 VanDerWaalsContact C-N 3.34Å; K71-Y74 PolarHBondContact O-N 3.24Å; K71-S75 VanDerWaalsContact O-CB 3.28Å; K71-S75 WeakPolarHBondContact O-CB 3.34Å; K71-S75 PolarHBondContact O-N 3.12Å; K71-S75 PolarHBondContact O-OG 3.47Å; K71-F192 WeakPolarHBondContact CE-O 3.33Å; K71-R193 PolarHBondContact NZ-O 3.17Å; K71-T194 WeakPolarHBondContact CE-O 3.35Å; K71-T194 PolarHBondContact NZ-O 2.8Å; K71-D195 IonicContact NZ-OD1 3.4Å; K71-D195 PolarHBondContact NZ-OD1 3.48Å; K71-C197 VanDerWaalsContact CD-SG 3.57Å; K71-L198 HydrophobicContact CB-CD1 4.16Å; K71-L198 HydrophobicContact CB-CD2 4.11Å; K71-L198 HydrophobicContact CB-CG 4.27Å |
| 72 | R | 98.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 19.1 Ų | 19.1 | 1% | 0.008 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.3 | -39.4 | 176.1 | -76.4 | -176.9 | 176 | -178.8 | -0.9 | 112 | N10 W14 V68 Y69 S75 M149 S152 L198 | N10-R72 VanDerWaalsContact CG-NH2 3.28Å; N10-R72 PolarHBondContact OD1-NH2 3.21Å; W14-R72 HydrophobicContact CD2-CB 4.43Å; W14-R72 VanDerWaalsContact CD2-CD 3.49Å; W14-R72 HydrophobicContact CD2-CG 3.88Å; W14-R72 HydrophobicContact CE3-CB 3.7Å; W14-R72 HydrophobicContact CE3-CG 3.36Å; W14-R72 HydrophobicContact CG-CG 4.47Å; W14-R72 VanDerWaalsContact CG-CZ 3.42Å; W14-R72 HydrophobicContact CH2-CB 4.1Å; W14-R72 HydrophobicContact CZ3-CB 3.48Å; W14-R72 VanDerWaalsContact CZ3-CB 3.48Å; W14-R72 HydrophobicContact CZ3-CG 3.75Å; V68-R72 HydrophobicContact CG1-CG 4.13Å; V68-R72 WeakPolarHBondContact O-CB 3.39Å; V68-R72 VanDerWaalsContact O-CG 3.24Å; V68-R72 WeakPolarHBondContact O-CG 3.17Å; V68-R72 PolarHBondContact O-N 2.92Å; Y69-R72 PolarHBondContact O-N 3.32Å; R72-S75 PolarHBondContact O-OG 3.47Å; R72-M149 HydrophobicContact CB-CG 4.45Å; R72-M149 HydrophobicContact CB-SD 4.03Å; R72-S152 PolarHBondContact NH1-O 3.23Å; R72-L198 HydrophobicContact CG-CD2 3.91Å |
| 73 | F | 98.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.009 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.2 | -53.8 | 175.8 | -174.8 | -91.6 | 0 | 0 | 0 | 110.9 | Y69 F70 K71 S75 R76 N77 I82 M87 I144 L145 A148 | Y69-F73 WeakPolarHBondContact O-CB 3.5Å; Y69-F73 PolarHBondContact O-N 3.32Å; F70-F73 PolarHBondContact O-N 3.43Å; K71-F73 VanDerWaalsContact C-N 3.34Å; F73-S75 VanDerWaalsContact C-N 3.29Å; F73-S75 PolarHBondContact O-N 3.2Å; F73-R76 PolarHBondContact O-N 2.99Å; F73-N77 HydrophobicContact CD1-CB 4.12Å; F73-N77 HydrophobicContact CE1-CB 3.73Å; F73-N77 HydrophobicContact CE2-CB 4.5Å; F73-N77 HydrophobicContact CZ-CB 3.94Å; F73-N77 VanDerWaalsContact O-CB 3.3Å; F73-N77 WeakPolarHBondContact O-CB 3.49Å; F73-N77 PolarHBondContact O-N 3.5Å; F73-N77 PolarHBondContact O-ND2 2.93Å; F73-I82 HydrophobicContact CE1-CB 4.2Å; F73-I82 HydrophobicContact CE1-CG1 4.36Å; F73-I82 HydrophobicContact CZ-CB 4.16Å; F73-I82 HydrophobicContact CZ-CG1 3.81Å; F73-M87 HydrophobicContact CB-SD 4.45Å; F73-M87 HydrophobicContact CD1-CE 3.7Å; F73-M87 HydrophobicContact CD1-CG 4.2Å; F73-M87 HydrophobicContact CD1-SD 4.32Å; F73-M87 HydrophobicContact CD2-CE 3.63Å; F73-M87 HydrophobicContact CD2-SD 4.3Å; F73-M87 HydrophobicContact CE1-CE 3.6Å; F73-M87 HydrophobicContact CE2-CE 3.53Å; F73-M87 HydrophobicContact CG-CE 3.72Å; F73-M87 HydrophobicContact CG-CG 4.42Å; F73-M87 HydrophobicContact CG-SD 4.08Å; F73-M87 HydrophobicContact CZ-CE 3.51Å; F73-I144 HydrophobicContact CE2-CG2 4.15Å; F73-L145 HydrophobicContact CB-CD1 4Å; F73-L145 HydrophobicContact CD2-CD1 3.97Å; F73-L145 HydrophobicContact CG-CD1 4.34Å; F73-A148 HydrophobicContact CD2-CB 3.75Å; F73-A148 HydrophobicContact CE2-CB 3.78Å |
| 74 | Y | 97.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 20 Ų | 20 | 0% | 0.004 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -79.9 | -2.5 | -177.6 | -67.6 | -63.8 | 0 | 0 | 0 | 114.9 | Y38 F70 K71 R76 N77 F79 I82 P84 M87 | Y38-Y74 PolarHBondContact OH-O 3.27Å; F70-Y74 HydrophobicContact CD1-CD2 4.02Å; F70-Y74 HydrophobicContact CD1-CE2 4.43Å; F70-Y74 HydrophobicContact CD2-CD2 4.22Å; F70-Y74 AromaticContact CD2-CE2 3.88Å; F70-Y74 HydrophobicContact CD2-CE2 3.88Å; F70-Y74 AromaticContact CE1-CD2 3.72Å; F70-Y74 HydrophobicContact CE1-CD2 3.72Å; F70-Y74 AromaticContact CE1-CE2 3.98Å; F70-Y74 HydrophobicContact CE1-CE2 3.98Å; F70-Y74 AromaticContact CE2-CD2 3.98Å; F70-Y74 HydrophobicContact CE2-CD2 3.98Å; F70-Y74 AromaticContact CE2-CE2 3.41Å; F70-Y74 HydrophobicContact CE2-CE2 3.41Å; F70-Y74 VanDerWaalsContact CE2-CE2 3.41Å; F70-Y74 HydrophobicContact CG-CD2 4.25Å; F70-Y74 HydrophobicContact CG-CE2 4.38Å; F70-Y74 AromaticContact CZ-CD2 3.7Å; F70-Y74 HydrophobicContact CZ-CD2 3.7Å; F70-Y74 AromaticContact CZ-CE2 3.44Å; F70-Y74 HydrophobicContact CZ-CE2 3.44Å; F70-Y74 VanDerWaalsContact CZ-CE2 3.44Å; F70-Y74 WeakPolarHBondContact O-CD2 3.28Å; F70-Y74 PolarHBondContact O-N 3.44Å; F70-Y74 VanDerWaalsContact O-N 3.14Å; K71-Y74 PolarHBondContact O-N 3.24Å; Y74-R76 VanDerWaalsContact C-N 3.31Å; Y74-N77 CarbonylContact C-O 3.39Å; Y74-N77 WeakPolarHBondContact CA-O 3.38Å; Y74-F79 AromaticContact CD1-CD1 3.47Å; Y74-F79 HydrophobicContact CD1-CD1 3.47Å; Y74-F79 VanDerWaalsContact CD1-CD1 3.47Å; Y74-F79 AromaticContact CD1-CE1 3.82Å; Y74-F79 HydrophobicContact CD1-CE1 3.82Å; Y74-F79 HydrophobicContact CD1-CG 4.4Å; Y74-F79 HydrophobicContact CD2-CD1 4.33Å; Y74-F79 HydrophobicContact CD2-CE1 4.06Å; Y74-F79 AromaticContact CE1-CD1 3.53Å; Y74-F79 HydrophobicContact CE1-CD1 3.53Å; Y74-F79 HydrophobicContact CE1-CE1 4.21Å; Y74-F79 HydrophobicContact CE1-CG 4.44Å; Y74-F79 HydrophobicContact CE2-CD1 4.35Å; Y74-F79 HydrophobicContact CE2-CE1 4.4Å; Y74-F79 AromaticContact CG-CD1 3.91Å; Y74-F79 HydrophobicContact CG-CD1 3.91Å; Y74-F79 AromaticContact CG-CE1 3.75Å; Y74-F79 HydrophobicContact CG-CE1 3.75Å; Y74-F79 AromaticContact CZ-CD1 3.97Å; Y74-I82 PolarHBondContact OH-O 3.11Å; Y74-P84 HydrophobicContact CE2-CG 4.37Å; Y74-P84 VanDerWaalsContact OH-CA 3.22Å; Y74-P84 WeakPolarHBondContact OH-CA 3.27Å; Y74-P84 WeakPolarHBondContact OH-CG 3.42Å; Y74-M87 HydrophobicContact CE2-CB 4.06Å; Y74-M87 HydrophobicContact CE2-CG 3.79Å; Y74-M87 WeakPolarHBondContact OH-CB 3.35Å |
| 75 | S | 96.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.007 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -78.2 | -18.6 | 168.6 | 71.1 | 0 | 0 | 0 | 0 | 112.7 | L16 H24 K71 R72 F73 | L16-S75 VanDerWaalsContact CD1-OG 3.26Å; L16-S75 WeakPolarHBondContact CD1-OG 3.48Å; H24-S75 VanDerWaalsContact CB-O 3.23Å; H24-S75 WeakPolarHBondContact CB-O 3.3Å; K71-S75 VanDerWaalsContact O-CB 3.28Å; K71-S75 WeakPolarHBondContact O-CB 3.34Å; K71-S75 PolarHBondContact O-N 3.12Å; K71-S75 PolarHBondContact O-OG 3.47Å; R72-S75 PolarHBondContact O-OG 3.47Å; F73-S75 VanDerWaalsContact C-N 3.29Å; F73-S75 PolarHBondContact O-N 3.2Å |
| 76 | R | 95.5 | Very high | 96.5 | Very high | 83 Ų | 83 | 21.2 Ų | 21.2 | 31% | 0.313 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -120.7 | -18 | 178.3 | -67.3 | -175.3 | 178.1 | 167 | 4.2 | 113.9 | E13 H24 F73 Y74 | E13-R76 PolarHBondContact O-NH2 2.65Å; H24-R76 PolarHBondContact ND1-O 3.3Å; F73-R76 PolarHBondContact O-N 2.99Å; Y74-R76 VanDerWaalsContact C-N 3.31Å |
| 77 | N | 94.9 | Very high | 96.5 | Very high | 45 Ų | 45 | 21.2 Ų | 21.2 | 24% | 0.241 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -119.8 | 149.5 | -178.1 | -58.8 | -80.6 | 0 | 0 | 0 | 111.1 | F73 Y74 | F73-N77 HydrophobicContact CD1-CB 4.12Å; F73-N77 HydrophobicContact CE1-CB 3.73Å; F73-N77 HydrophobicContact CE2-CB 4.5Å; F73-N77 HydrophobicContact CZ-CB 3.94Å; F73-N77 VanDerWaalsContact O-CB 3.3Å; F73-N77 WeakPolarHBondContact O-CB 3.49Å; F73-N77 PolarHBondContact O-N 3.5Å; F73-N77 PolarHBondContact O-ND2 2.93Å; Y74-N77 CarbonylContact C-O 3.39Å; Y74-N77 WeakPolarHBondContact CA-O 3.38Å |
| 78 | S | 93.6 | Very high | 96.5 | Very high | 11 Ų | 11 | 21.1 Ų | 21.1 | 8% | 0.077 | 10% | 0.103 | C | C | . | . | trans | -82 | 153.7 | 176.5 | 156.8 | 0 | 0 | 0 | 0 | 111.6 | D28 K80 T81 | D28-S78 WeakPolarHBondContact OD1-CB 3.48Å; D28-S78 PolarHBondContact OD1-OG 2.87Å; D28-S78 WeakPolarHBondContact OD2-CA 3.5Å; D28-S78 WeakPolarHBondContact OD2-CB 3.32Å; D28-S78 PolarHBondContact OD2-OG 2.71Å; S78-K80 PolarHBondContact O-N 3.24Å; S78-K80 VanDerWaalsContact O-N 3.09Å; S78-K80 VanDerWaalsContact OG-CG 3.28Å; S78-K80 WeakPolarHBondContact OG-CG 3.39Å; S78-K80 PolarHBondContact OG-N 2.63Å; S78-T81 PolarHBondContact N-OG1 2.86Å; S78-T81 WeakPolarHBondContact O-CB 3.47Å; S78-T81 PolarHBondContact O-N 2.56Å; S78-T81 PolarHBondContact O-OG1 3.05Å | ||
| 79 | F | 93.9 | Very high | 96.5 | Very high | 7 Ų | 7 | 21 Ų | 21 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -25.2 | 172.4 | -66.3 | -48.8 | 0 | 0 | 0 | 114 | D28 L32 Y38 V41 M42 Y74 T81 I82 P84 L309 | D28-F79 HydrophobicContact CB-CD2 4.08Å; D28-F79 PolarHBondContact OD2-N 3.34Å; L32-F79 HydrophobicContact CD1-CD2 4.45Å; L32-F79 HydrophobicContact CD1-CE2 4.14Å; Y38-F79 HydrophobicContact CD2-CD2 4.45Å; Y38-F79 AromaticContact CD2-CE2 3.54Å; Y38-F79 HydrophobicContact CD2-CE2 3.54Å; Y38-F79 HydrophobicContact CD2-CZ 4.13Å; Y38-F79 HydrophobicContact CE1-CZ 4.35Å; Y38-F79 HydrophobicContact CE2-CD2 4.13Å; Y38-F79 AromaticContact CE2-CE2 3.27Å; Y38-F79 HydrophobicContact CE2-CE2 3.27Å; Y38-F79 AromaticContact CE2-CZ 3.58Å; Y38-F79 HydrophobicContact CE2-CZ 3.58Å; Y38-F79 HydrophobicContact CG-CE2 4.36Å; Y38-F79 AromaticContact CZ-CE2 3.89Å; Y38-F79 AromaticContact CZ-CZ 3.67Å; V41-F79 HydrophobicContact CB-CE2 4.3Å; V41-F79 HydrophobicContact CB-CZ 4.27Å; V41-F79 HydrophobicContact CG1-CD2 4.48Å; V41-F79 HydrophobicContact CG1-CE1 4.1Å; V41-F79 HydrophobicContact CG1-CE2 3.85Å; V41-F79 HydrophobicContact CG1-CZ 3.65Å; M42-F79 HydrophobicContact CG-CZ 4.23Å; M42-F79 HydrophobicContact SD-CE1 3.8Å; M42-F79 HydrophobicContact SD-CZ 3.65Å; Y74-F79 AromaticContact CD1-CD1 3.47Å; Y74-F79 HydrophobicContact CD1-CD1 3.47Å; Y74-F79 VanDerWaalsContact CD1-CD1 3.47Å; Y74-F79 AromaticContact CD1-CE1 3.82Å; Y74-F79 HydrophobicContact CD1-CE1 3.82Å; Y74-F79 HydrophobicContact CD1-CG 4.4Å; Y74-F79 HydrophobicContact CD2-CD1 4.33Å; Y74-F79 HydrophobicContact CD2-CE1 4.06Å; Y74-F79 AromaticContact CE1-CD1 3.53Å; Y74-F79 HydrophobicContact CE1-CD1 3.53Å; Y74-F79 HydrophobicContact CE1-CE1 4.21Å; Y74-F79 HydrophobicContact CE1-CG 4.44Å; Y74-F79 HydrophobicContact CE2-CD1 4.35Å; Y74-F79 HydrophobicContact CE2-CE1 4.4Å; Y74-F79 AromaticContact CG-CD1 3.91Å; Y74-F79 HydrophobicContact CG-CD1 3.91Å; Y74-F79 AromaticContact CG-CE1 3.75Å; Y74-F79 HydrophobicContact CG-CE1 3.75Å; Y74-F79 AromaticContact CZ-CD1 3.97Å; F79-T81 VanDerWaalsContact C-N 3.25Å; F79-T81 PolarHBondContact O-N 2.92Å; F79-I82 VanDerWaalsContact O-O 3.06Å; F79-P84 HydrophobicContact CB-CG 4.49Å; F79-P84 HydrophobicContact CD1-CG 3.68Å; F79-P84 HydrophobicContact CE1-CG 4.33Å; F79-P84 HydrophobicContact CG-CG 4.38Å; F79-L309 HydrophobicContact CB-CD1 4.43Å; F79-L309 HydrophobicContact CB-CD2 4.15Å; F79-L309 HydrophobicContact CD2-CD1 3.88Å; F79-L309 HydrophobicContact CD2-CD2 4.35Å; F79-L309 HydrophobicContact CE2-CD1 4.48Å; F79-L309 HydrophobicContact CG-CD1 4.33Å |
| 80 | K | 91.4 | Very high | 96.4 | Very high | 143 Ų | 143 | 21 Ų | 21 | 62% | 0.622 | 10% | 0.102 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -18.8 | 176.5 | 81.1 | -165.3 | 177.6 | 174.7 | 0 | 113.6 | S78 | S78-K80 PolarHBondContact O-N 3.24Å; S78-K80 VanDerWaalsContact O-N 3.09Å; S78-K80 VanDerWaalsContact OG-CG 3.28Å; S78-K80 WeakPolarHBondContact OG-CG 3.39Å; S78-K80 PolarHBondContact OG-N 2.63Å |
| 81 | T | 92.6 | Very high | 96.4 | Very high | 71 Ų | 71 | 21 Ų | 21 | 44% | 0.436 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -49.7 | -173.7 | -44.3 | 0 | 0 | 0 | 0 | 109.9 | S78 F79 | S78-T81 PolarHBondContact N-OG1 2.86Å; S78-T81 WeakPolarHBondContact O-CB 3.47Å; S78-T81 PolarHBondContact O-N 2.56Å; S78-T81 PolarHBondContact O-OG1 3.05Å; F79-T81 VanDerWaalsContact C-N 3.25Å; F79-T81 PolarHBondContact O-N 2.92Å |
| 82 | I | 94.6 | Very high | 96.4 | Very high | 28 Ų | 28 | 21.1 Ų | 21.1 | 14% | 0.144 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -140.3 | 133.5 | 173.5 | -60.4 | -67 | 0 | 0 | 0 | 107.4 | F73 Y74 F79 P84 L86 M87 I144 | F73-I82 HydrophobicContact CE1-CB 4.2Å; F73-I82 HydrophobicContact CE1-CG1 4.36Å; F73-I82 HydrophobicContact CZ-CB 4.16Å; F73-I82 HydrophobicContact CZ-CG1 3.81Å; Y74-I82 PolarHBondContact OH-O 3.11Å; F79-I82 VanDerWaalsContact O-O 3.06Å; I82-P84 WeakPolarHBondContact O-CD 3.33Å; I82-L86 HydrophobicContact CG2-CB 4.46Å; I82-L86 HydrophobicContact CG2-CD2 4.41Å; I82-M87 HydrophobicContact CB-CE 4.03Å; I82-M87 HydrophobicContact CG1-CE 4.23Å; I82-M87 HydrophobicContact CG2-CB 4.26Å; I82-M87 HydrophobicContact CG2-CE 3.88Å; I82-I144 HydrophobicContact CD1-CD1 3.86Å; I82-I144 HydrophobicContact CG1-CG2 4.34Å |
| 83 | D | 95.3 | Very high | 96.3 | Very high | 12 Ų | 12 | 21.6 Ų | 21.6 | 6% | 0.064 | 11% | 0.105 | C | C | . | . | trans | -57.7 | 124.4 | 176.1 | -176.5 | -6 | 0 | 0 | 0 | 110.3 | W85 L86 M87 Y133 P312 | D83-W85 PolarHBondContact O-N 3.31Å; D83-W85 VanDerWaalsContact O-N 3.1Å; D83-W85 WeakPolarHBondContact OD1-CB 3.43Å; D83-W85 PolarHBondContact OD1-N 2.69Å; D83-L86 WeakPolarHBondContact O-CA 3.35Å; D83-L86 PolarHBondContact O-N 3.39Å; D83-M87 PolarHBondContact O-N 2.98Å; D83-Y133 WeakPolarHBondContact CB-OH 3.39Å; D83-Y133 PolarHBondContact OD2-OH 2.91Å; D83-P312 HydrophobicContact CB-CG 4.4Å | ||
| 84 | P | 97.5 | Very high | 96.3 | Very high | 9 Ų | 9 | 21.8 Ų | 21.8 | 6% | 0.058 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -51 | -31.3 | 174 | -32 | 38.8 | 0 | 0 | 0 | 114.7 | F45 F70 Y74 F79 I82 L86 M87 A88 | F45-P84 HydrophobicContact CD1-CB 3.78Å; F45-P84 HydrophobicContact CD2-CB 3.62Å; F45-P84 HydrophobicContact CD2-CG 4.35Å; F45-P84 HydrophobicContact CE1-CB 3.57Å; F45-P84 HydrophobicContact CE2-CB 3.39Å; F45-P84 HydrophobicContact CE2-CG 4Å; F45-P84 HydrophobicContact CG-CB 3.83Å; F45-P84 HydrophobicContact CZ-CB 3.39Å; F45-P84 HydrophobicContact CZ-CG 4.29Å; F70-P84 HydrophobicContact CE2-CB 4.25Å; F70-P84 HydrophobicContact CZ-CB 4.08Å; Y74-P84 HydrophobicContact CE2-CG 4.37Å; Y74-P84 VanDerWaalsContact OH-CA 3.22Å; Y74-P84 WeakPolarHBondContact OH-CA 3.27Å; Y74-P84 WeakPolarHBondContact OH-CG 3.42Å; F79-P84 HydrophobicContact CB-CG 4.49Å; F79-P84 HydrophobicContact CD1-CG 3.68Å; F79-P84 HydrophobicContact CE1-CG 4.33Å; F79-P84 HydrophobicContact CG-CG 4.38Å; I82-P84 WeakPolarHBondContact O-CD 3.33Å; P84-L86 PolarHBondContact O-N 3.29Å; P84-M87 PolarHBondContact O-N 3.07Å; P84-A88 VanDerWaalsContact O-CB 3.26Å; P84-A88 WeakPolarHBondContact O-CB 3.21Å; P84-A88 PolarHBondContact O-N 2.91Å |
| 85 | W | 96.7 | Very high | 96.3 | Very high | 6 Ų | 6 | 21.7 Ų | 21.7 | 2% | 0.023 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.6 | -27 | 175.1 | -75.2 | 107.6 | 0 | 0 | 0 | 113.3 | F44 F45 V48 D83 P89 V117 Y121 Y124 F125 Y131 Y133 | F44-W85 AromaticContact CE1-CH2 3.78Å; F44-W85 HydrophobicContact CE1-CH2 3.78Å; F44-W85 AromaticContact CE1-CZ2 3.56Å; F44-W85 HydrophobicContact CE1-CZ2 3.56Å; F44-W85 AromaticContact CZ-CH2 3.74Å; F44-W85 HydrophobicContact CZ-CH2 3.74Å; F44-W85 AromaticContact CZ-CZ2 3.73Å; F44-W85 HydrophobicContact CZ-CZ2 3.73Å; F45-W85 AromaticContact CE1-CD2 3.7Å; F45-W85 HydrophobicContact CE1-CD2 3.7Å; F45-W85 AromaticContact CE1-CE2 3.82Å; F45-W85 HydrophobicContact CE1-CE3 4.1Å; F45-W85 AromaticContact CE1-CG 3.9Å; F45-W85 HydrophobicContact CE1-CG 3.9Å; F45-W85 HydrophobicContact CE1-CZ2 4.32Å; F45-W85 AromaticContact CZ-CD1 3.84Å; F45-W85 HydrophobicContact CZ-CD2 4.11Å; F45-W85 AromaticContact CZ-CE2 3.83Å; F45-W85 HydrophobicContact CZ-CG 4.12Å; F45-W85 HydrophobicContact CZ-CZ2 4.38Å; F45-W85 AromaticContact CZ-NE1 3.66Å; V48-W85 HydrophobicContact CG1-CE3 4.3Å; V48-W85 HydrophobicContact CG1-CZ3 3.83Å; V48-W85 HydrophobicContact CG2-CH2 3.98Å; V48-W85 HydrophobicContact CG2-CZ3 4Å; D83-W85 PolarHBondContact O-N 3.31Å; D83-W85 VanDerWaalsContact O-N 3.1Å; D83-W85 WeakPolarHBondContact OD1-CB 3.43Å; D83-W85 PolarHBondContact OD1-N 2.69Å; W85-P89 VanDerWaalsContact O-CD 3.24Å; W85-P89 WeakPolarHBondContact O-CD 3.45Å; W85-V117 HydrophobicContact CE3-CG2 4.48Å; W85-V117 HydrophobicContact CZ3-CG2 4.05Å; W85-Y121 HydrophobicContact CH2-CD1 4.02Å; W85-Y121 AromaticContact CH2-CG 3.9Å; W85-Y121 HydrophobicContact CH2-CG 3.9Å; W85-Y121 HydrophobicContact CZ3-CG 4.36Å; W85-Y124 HydrophobicContact CH2-CD2 4.3Å; W85-Y124 HydrophobicContact CZ2-CD2 4.07Å; W85-Y124 HydrophobicContact CZ2-CG 4.07Å; W85-F125 HydrophobicContact CD2-CE2 4.17Å; W85-F125 AromaticContact CD2-CZ 3.59Å; W85-F125 HydrophobicContact CD2-CZ 3.59Å; W85-F125 AromaticContact CE2-CZ 3.78Å; W85-F125 HydrophobicContact CE3-CE2 4.2Å; W85-F125 AromaticContact CE3-CZ 3.85Å; W85-F125 HydrophobicContact CE3-CZ 3.85Å; W85-F125 AromaticContact CG-CZ 3.97Å; W85-F125 HydrophobicContact CG-CZ 3.97Å; W85-F125 HydrophobicContact CH2-CE2 4.1Å; W85-F125 HydrophobicContact CH2-CZ 4.48Å; W85-F125 HydrophobicContact CZ2-CE2 4.02Å; W85-F125 HydrophobicContact CZ2-CZ 4.23Å; W85-F125 HydrophobicContact CZ3-CE2 4.17Å; W85-F125 HydrophobicContact CZ3-CZ 4.29Å; W85-Y131 HydrophobicContact CB-CE2 4.21Å; W85-Y131 HydrophobicContact CE3-CE2 4.11Å; W85-Y131 PolarHBondContact O-OH 3.09Å; W85-Y133 HydrophobicContact CB-CD2 4.38Å; W85-Y133 HydrophobicContact CB-CE2 3.76Å |
| 86 | L | 97.5 | Very high | 96.2 | Very high | 19 Ų | 19 | 21.7 Ų | 21.7 | 10% | 0.099 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -91.6 | -36.3 | 172.9 | 177.6 | 58.6 | 0 | 0 | 0 | 112.1 | I82 D83 P84 A88 P89 S90 Y133 D137 V138 C141 | I82-L86 HydrophobicContact CG2-CB 4.46Å; I82-L86 HydrophobicContact CG2-CD2 4.41Å; D83-L86 WeakPolarHBondContact O-CA 3.35Å; D83-L86 PolarHBondContact O-N 3.39Å; P84-L86 PolarHBondContact O-N 3.29Å; L86-A88 PolarHBondContact O-N 3.01Å; L86-P89 VanDerWaalsContact O-CD 3.27Å; L86-P89 WeakPolarHBondContact O-CD 3.29Å; L86-P89 VanDerWaalsContact O-CG 3.29Å; L86-P89 WeakPolarHBondContact O-CG 3.4Å; L86-S90 WeakPolarHBondContact O-CB 3.47Å; L86-S90 PolarHBondContact O-N 3.14Å; L86-S90 PolarHBondContact O-OG 3.47Å; L86-Y133 HydrophobicContact CB-CD1 3.92Å; L86-Y133 HydrophobicContact CB-CD2 4.05Å; L86-Y133 HydrophobicContact CB-CE1 3.72Å; L86-Y133 HydrophobicContact CB-CE2 3.86Å; L86-Y133 HydrophobicContact CB-CG 4.09Å; L86-Y133 HydrophobicContact CD1-CD1 3.78Å; L86-Y133 HydrophobicContact CD1-CE1 4.37Å; L86-Y133 HydrophobicContact CD1-CG 3.91Å; L86-Y133 HydrophobicContact CD2-CD1 3.98Å; L86-Y133 HydrophobicContact CD2-CE1 3.84Å; L86-Y133 HydrophobicContact CG-CD1 4.1Å; L86-Y133 HydrophobicContact CG-CE1 4.17Å; L86-Y133 HydrophobicContact CG-CG 4.47Å; L86-D137 HydrophobicContact CD1-CB 3.74Å; L86-D137 HydrophobicContact CD2-CB 4.2Å; L86-V138 HydrophobicContact CD1-CG2 4.01Å; L86-C141 HydrophobicContact CD1-CB 4.28Å; L86-C141 HydrophobicContact CD2-CB 4.05Å; L86-C141 HydrophobicContact CG-CB 3.92Å |
| 87 | M | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.6 | -38.5 | 179.2 | -174.7 | 53 | 66 | 0 | 0 | 112 | F70 F73 Y74 I82 D83 P84 S90 C91 C141 L145 | F70-M87 HydrophobicContact CD2-CB 4.36Å; F70-M87 HydrophobicContact CD2-CG 3.91Å; F70-M87 HydrophobicContact CE2-CB 4.25Å; F70-M87 HydrophobicContact CE2-CG 4.23Å; F73-M87 HydrophobicContact CB-SD 4.45Å; F73-M87 HydrophobicContact CD1-CE 3.7Å; F73-M87 HydrophobicContact CD1-CG 4.2Å; F73-M87 HydrophobicContact CD1-SD 4.32Å; F73-M87 HydrophobicContact CD2-CE 3.63Å; F73-M87 HydrophobicContact CD2-SD 4.3Å; F73-M87 HydrophobicContact CE1-CE 3.6Å; F73-M87 HydrophobicContact CE2-CE 3.53Å; F73-M87 HydrophobicContact CG-CE 3.72Å; F73-M87 HydrophobicContact CG-CG 4.42Å; F73-M87 HydrophobicContact CG-SD 4.08Å; F73-M87 HydrophobicContact CZ-CE 3.51Å; Y74-M87 HydrophobicContact CE2-CB 4.06Å; Y74-M87 HydrophobicContact CE2-CG 3.79Å; Y74-M87 WeakPolarHBondContact OH-CB 3.35Å; I82-M87 HydrophobicContact CB-CE 4.03Å; I82-M87 HydrophobicContact CG1-CE 4.23Å; I82-M87 HydrophobicContact CG2-CB 4.26Å; I82-M87 HydrophobicContact CG2-CE 3.88Å; D83-M87 PolarHBondContact O-N 2.98Å; P84-M87 PolarHBondContact O-N 3.07Å; M87-S90 PolarHBondContact O-N 3.07Å; M87-S90 VanDerWaalsContact O-N 3.17Å; M87-C91 PolarHBondContact O-N 3.39Å; M87-C91 PolarHBondContact O-SG 3.44Å; M87-C91 VanDerWaalsContact SD-SG 3.64Å; M87-C141 VanDerWaalsContact CE-SG 3.55Å; M87-L145 HydrophobicContact SD-CB 4.33Å; M87-L145 HydrophobicContact SD-CD1 3.98Å; M87-L145 HydrophobicContact SD-CD2 4.17Å; M87-L145 HydrophobicContact SD-CG 4.38Å |
| 88 | A | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -54.1 | -57.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V48 I49 F52 F70 P84 L86 S90 C91 L92 | V48-A88 HydrophobicContact CG1-CB 4.5Å; I49-A88 HydrophobicContact CD1-CB 4.12Å; I49-A88 HydrophobicContact CG1-CB 3.56Å; F52-A88 HydrophobicContact CE2-CB 4.4Å; F70-A88 HydrophobicContact CE2-CB 4.39Å; P84-A88 VanDerWaalsContact O-CB 3.26Å; P84-A88 WeakPolarHBondContact O-CB 3.21Å; P84-A88 PolarHBondContact O-N 2.91Å; L86-A88 PolarHBondContact O-N 3.01Å; A88-S90 VanDerWaalsContact C-N 3.26Å; A88-S90 PolarHBondContact O-N 2.76Å; A88-C91 PolarHBondContact O-N 2.84Å; A88-L92 PolarHBondContact O-N 2.92Å |
| 89 | P | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.9 | -28 | 176.3 | 31.3 | -40.6 | 0 | 0 | 0 | 112.6 | F52 W85 L86 L92 F93 L109 Y131 V138 | F52-P89 HydrophobicContact CD2-CB 4.42Å; W85-P89 VanDerWaalsContact O-CD 3.24Å; W85-P89 WeakPolarHBondContact O-CD 3.45Å; L86-P89 VanDerWaalsContact O-CD 3.27Å; L86-P89 WeakPolarHBondContact O-CD 3.29Å; L86-P89 VanDerWaalsContact O-CG 3.29Å; L86-P89 WeakPolarHBondContact O-CG 3.4Å; P89-L92 PolarHBondContact O-N 3.47Å; P89-F93 WeakPolarHBondContact O-CB 3.45Å; P89-F93 PolarHBondContact O-N 2.86Å; P89-L109 HydrophobicContact CB-CD2 4.28Å; P89-L109 HydrophobicContact CB-CG 4.48Å; P89-Y131 WeakPolarHBondContact CG-OH 3.4Å; P89-V138 HydrophobicContact CB-CG2 4.33Å; P89-V138 HydrophobicContact CG-CG2 4.06Å |
| 90 | S | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -69 | -40.9 | 179.4 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | L86 M87 A88 L92 F93 L94 C141 | L86-S90 WeakPolarHBondContact O-CB 3.47Å; L86-S90 PolarHBondContact O-N 3.14Å; L86-S90 PolarHBondContact O-OG 3.47Å; M87-S90 PolarHBondContact O-N 3.07Å; M87-S90 VanDerWaalsContact O-N 3.17Å; A88-S90 VanDerWaalsContact C-N 3.26Å; A88-S90 PolarHBondContact O-N 2.76Å; S90-L92 VanDerWaalsContact C-N 3.33Å; S90-L92 PolarHBondContact O-N 2.9Å; S90-F93 PolarHBondContact O-N 3.35Å; S90-L94 WeakPolarHBondContact O-CB 3.07Å; S90-L94 PolarHBondContact O-N 3.3Å; S90-C141 VanDerWaalsContact OG-CB 3.32Å; S90-C141 WeakPolarHBondContact OG-CB 3.36Å; S90-C141 PolarHBondContact OG-SG 3.25Å; S90-C141 VanDerWaalsContact OG-SG 3.37Å |
| 91 | C | 98.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.9 | -43.8 | 170.3 | -68.7 | 0 | 0 | 0 | 0 | 111.7 | A66 F70 M87 A88 A95 L145 | A66-C91 HydrophobicContact CB-CB 4.25Å; A66-C91 WeakPolarHBondContact O-CB 3.35Å; F70-C91 VanDerWaalsContact CA-SG 3.55Å; F70-C91 HydrophobicContact CB-CB 4.44Å; F70-C91 PolarHBondContact N-SG 3.13Å; F70-C91 VanDerWaalsContact N-SG 3.43Å; M87-C91 PolarHBondContact O-N 3.39Å; M87-C91 PolarHBondContact O-SG 3.44Å; M87-C91 VanDerWaalsContact SD-SG 3.64Å; A88-C91 PolarHBondContact O-N 2.84Å; C91-A95 WeakPolarHBondContact O-CB 3.3Å; C91-A95 PolarHBondContact O-N 3.37Å; C91-L145 HydrophobicContact CB-CD2 4.32Å |
| 92 | L | 97.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.016 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66 | -42.2 | 178.6 | -173.6 | 66.6 | 0 | 0 | 0 | 112.3 | F52 V56 V58 V62 A66 A88 P89 S90 S96 L109 | F52-L92 HydrophobicContact CB-CD2 3.82Å; V56-L92 HydrophobicContact CG2-CD2 4.17Å; V58-L92 HydrophobicContact CG2-CD1 4.02Å; V62-L92 HydrophobicContact CG1-CD1 4.37Å; A66-L92 HydrophobicContact CB-CB 4.23Å; A66-L92 HydrophobicContact CB-CD1 4.05Å; A88-L92 PolarHBondContact O-N 2.92Å; P89-L92 PolarHBondContact O-N 3.47Å; S90-L92 VanDerWaalsContact C-N 3.33Å; S90-L92 PolarHBondContact O-N 2.9Å; L92-S96 WeakPolarHBondContact O-CB 3.44Å; L92-S96 PolarHBondContact O-N 3.16Å; L92-L109 HydrophobicContact CD2-CD1 3.86Å |
| 93 | F | 97 | Very high | 91.8 | Very high | 13 Ų | 13 | 30.9 Ų | 30.9 | 6% | 0.057 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.2 | -51.4 | 177 | -176.6 | -114.8 | 0 | 0 | 0 | 111.1 | P89 S90 S96 K97 V104 Q106 L109 V138 L139 E142 | P89-F93 WeakPolarHBondContact O-CB 3.45Å; P89-F93 PolarHBondContact O-N 2.86Å; S90-F93 PolarHBondContact O-N 3.35Å; F93-S96 PolarHBondContact O-N 3.39Å; F93-S96 PolarHBondContact O-OG 3.48Å; F93-K97 HydrophobicContact CE1-CD 4.48Å; F93-K97 HydrophobicContact CZ-CD 4.44Å; F93-K97 PolarHBondContact O-N 2.81Å; F93-V104 WeakPolarHBondContact CE2-O 2.83Å; F93-Q106 HydrophobicContact CE2-CB 4.1Å; F93-Q106 HydrophobicContact CZ-CB 4.35Å; F93-L109 HydrophobicContact CB-CD2 3.67Å; F93-L109 HydrophobicContact CD2-CD2 4.06Å; F93-L109 HydrophobicContact CG-CD2 4.24Å; F93-V138 HydrophobicContact CB-CG1 4.01Å; F93-V138 HydrophobicContact CD1-CG1 4.1Å; F93-V138 HydrophobicContact CG-CG1 4.1Å; F93-L139 HydrophobicContact CE1-CD2 3.76Å; F93-L139 HydrophobicContact CZ-CD2 4.09Å; F93-E142 WeakPolarHBondContact CD1-OE1 3.32Å; F93-E142 WeakPolarHBondContact CE1-OE2 3.19Å |
| 94 | L | 97.3 | Very high | 91.4 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.4 | -47 | 177.9 | 179.5 | 58.7 | 0 | 0 | 0 | 111.5 | Y69 S90 S96 K97 V98 E142 L145 L146 M149 L153 | Y69-L94 HydrophobicContact CD2-CB 4.48Å; Y69-L94 HydrophobicContact CD2-CD2 4.12Å; Y69-L94 HydrophobicContact CD2-CG 4.26Å; Y69-L94 HydrophobicContact CE2-CB 4.4Å; Y69-L94 HydrophobicContact CE2-CD2 4.02Å; Y69-L94 HydrophobicContact CE2-CG 3.86Å; S90-L94 WeakPolarHBondContact O-CB 3.07Å; S90-L94 PolarHBondContact O-N 3.3Å; L94-S96 VanDerWaalsContact C-N 3.28Å; L94-S96 PolarHBondContact O-N 3.24Å; L94-K97 PolarHBondContact O-N 3.19Å; L94-K97 VanDerWaalsContact O-N 3.11Å; L94-V98 HydrophobicContact CD1-CG2 4.13Å; L94-V98 HydrophobicContact CG-CG2 4.39Å; L94-V98 WeakPolarHBondContact O-CG2 3.45Å; L94-V98 PolarHBondContact O-N 2.91Å; L94-E142 HydrophobicContact CD1-CG 4.4Å; L94-L145 HydrophobicContact CB-CD2 4.35Å; L94-L145 HydrophobicContact CD2-CD2 3.69Å; L94-L145 HydrophobicContact CD2-CG 3.89Å; L94-L146 HydrophobicContact CD1-CD2 4.05Å; L94-L146 HydrophobicContact CD1-CG 4.28Å; L94-L146 HydrophobicContact CD2-CD2 4.24Å; L94-L146 HydrophobicContact CD2-CG 4.22Å; L94-M149 HydrophobicContact CD2-CE 3.91Å; L94-L153 HydrophobicContact CD1-CD1 4.39Å; L94-L153 HydrophobicContact CD2-CD2 3.95Å |
| 95 | A | 97.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.3 | -38.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V62 T65 A66 Y69 C91 K97 V98 E99 | V62-A95 HydrophobicContact CG1-CB 4.1Å; V62-A95 WeakPolarHBondContact O-CB 3.27Å; T65-A95 HydrophobicContact CG2-CB 3.75Å; A66-A95 HydrophobicContact CB-CB 3.92Å; Y69-A95 HydrophobicContact CD2-CB 4.22Å; Y69-A95 HydrophobicContact CE2-CB 4.06Å; C91-A95 WeakPolarHBondContact O-CB 3.3Å; C91-A95 PolarHBondContact O-N 3.37Å; A95-K97 VanDerWaalsContact C-N 3.27Å; A95-K97 PolarHBondContact O-N 3.37Å; A95-V98 PolarHBondContact O-N 3.31Å; A95-E99 WeakPolarHBondContact O-CB 3.29Å; A95-E99 WeakPolarHBondContact O-CG 3.41Å; A95-E99 PolarHBondContact O-N 3.05Å |
| 96 | S | 95.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63 | -33.2 | 178.3 | 76.5 | 0 | 0 | 0 | 0 | 113.1 | L92 F93 L94 | L92-S96 WeakPolarHBondContact O-CB 3.44Å; L92-S96 PolarHBondContact O-N 3.16Å; F93-S96 PolarHBondContact O-N 3.39Å; F93-S96 PolarHBondContact O-OG 3.48Å; L94-S96 VanDerWaalsContact C-N 3.28Å; L94-S96 PolarHBondContact O-N 3.24Å |
| 97 | K | 94.5 | Very high | 90.5 | Very high | 86 Ų | 86 | 42.1 Ų | 42.1 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -75.6 | -40.9 | 175.2 | -65.9 | -169.9 | -64.9 | 178.7 | 0 | 112.1 | F93 L94 A95 E142 | F93-K97 HydrophobicContact CE1-CD 4.48Å; F93-K97 HydrophobicContact CZ-CD 4.44Å; F93-K97 PolarHBondContact O-N 2.81Å; L94-K97 PolarHBondContact O-N 3.19Å; L94-K97 VanDerWaalsContact O-N 3.11Å; A95-K97 VanDerWaalsContact C-N 3.27Å; A95-K97 PolarHBondContact O-N 3.37Å; K97-E142 WeakPolarHBondContact CE-OE1 3.32Å; K97-E142 IonicContact NZ-OE1 2.65Å; K97-E142 PolarHBondContact NZ-OE1 2.83Å; K97-E142 IonicContact NZ-OE2 3.75Å; K97-E142 PolarHBondContact NZ-OE2 3.27Å |
| 98 | V | 95.1 | Very high | 90.2 | Very high | 45 Ų | 45 | 47 Ų | 47 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -71.2 | -39.8 | -175.7 | 173.6 | 0 | 0 | 0 | 0 | 112.4 | Y69 L94 A95 E100 L153 | Y69-V98 WeakPolarHBondContact OH-CG1 3.32Å; L94-V98 HydrophobicContact CD1-CG2 4.13Å; L94-V98 HydrophobicContact CG-CG2 4.39Å; L94-V98 WeakPolarHBondContact O-CG2 3.45Å; L94-V98 PolarHBondContact O-N 2.91Å; A95-V98 PolarHBondContact O-N 3.31Å; V98-E100 PolarHBondContact O-N 3.48Å; V98-L153 HydrophobicContact CG1-CB 4.13Å; V98-L153 HydrophobicContact CG2-CB 4Å; V98-L153 HydrophobicContact CG2-CD1 3.69Å; V98-L153 HydrophobicContact CG2-CG 4.32Å |
| 99 | E | 92.8 | Very high | 90.1 | Very high | 29 Ų | 29 | 47.1 Ų | 47.1 | 14% | 0.136 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 7.8 | -177.8 | -66.8 | -72.9 | 166.4 | 0 | 0 | 113 | Q61 V62 T65 A95 F101 H157 | Q61-E99 PolarHBondContact NE2-OE2 3.31Å; V62-E99 HydrophobicContact CG2-CB 4.06Å; T65-E99 HydrophobicContact CG2-CG 4.2Å; T65-E99 PolarHBondContact OG1-OE1 3.34Å; A95-E99 WeakPolarHBondContact O-CB 3.29Å; A95-E99 WeakPolarHBondContact O-CG 3.41Å; A95-E99 PolarHBondContact O-N 3.05Å; E99-F101 HydrophobicContact CB-CD2 3.79Å; E99-F101 HydrophobicContact CB-CE2 4.33Å; E99-F101 WeakPolarHBondContact O-CD2 3.47Å; E99-F101 WeakPolarHBondContact O-CE2 3.26Å; E99-F101 WeakPolarHBondContact O-CG 3.5Å; E99-F101 PolarHBondContact O-N 3.29Å; E99-H157 IonicContact OE1-NE2 2.93Å; E99-H157 PolarHBondContact OE1-NE2 3.43Å |
| 100 | E | 74.2 | Confident | 90.1 | Very high | 181 Ų | 181 | 47.2 Ų | 47.2 | 85% | 0.846 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 25.6 | 176.4 | -64 | -178.3 | 179.4 | 0 | 0 | 114.4 | V98 G102 | V98-E100 PolarHBondContact O-N 3.48Å; E100-G102 PolarHBondContact O-N 3.18Å |
| 101 | F | 67.4 | Low | 90 | Very high | 58 Ų | 58 | 50.5 Ų | 50.5 | 25% | 0.254 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -105 | 65 | -177.2 | -72.3 | -57.8 | 0 | 0 | 0 | 112.3 | R59 V62 E99 | R59-F101 VanDerWaalsContact CZ-CD1 3.47Å; V62-F101 HydrophobicContact CG2-CB 4.05Å; V62-F101 HydrophobicContact CG2-CD2 3.96Å; V62-F101 HydrophobicContact CG2-CG 4.47Å; E99-F101 HydrophobicContact CB-CD2 3.79Å; E99-F101 HydrophobicContact CB-CE2 4.33Å; E99-F101 WeakPolarHBondContact O-CD2 3.47Å; E99-F101 WeakPolarHBondContact O-CE2 3.26Å; E99-F101 WeakPolarHBondContact O-CG 3.5Å; E99-F101 PolarHBondContact O-N 3.29Å |
| 102 | G | 67.4 | Low | 89.9 | Confident | 52 Ų | 52 | 51.7 Ų | 51.7 | 54% | 0.536 | 28% | 0.281 | S | S | . | . | trans | 72.5 | 139.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | E100 V104 | E100-G102 PolarHBondContact O-N 3.18Å; G102-V104 PolarHBondContact O-N 3.26Å | ||
| 103 | V | 72.3 | Confident | 89.9 | Confident | 130 Ų | 130 | 51.5 Ų | 51.5 | 79% | 0.788 | 28% | 0.28 | S | S | * | . | trans | -80 | 106.2 | -179.2 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | S105 | V103-S105 PolarHBondContact O-N 2.83Š| ||
| 104 | V | 86.4 | Confident | 89.9 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 13% | 0.127 | 30% | 0.295 | C | S | . | . | trans | -67 | 119.8 | 169.9 | 177.7 | 0 | 0 | 0 | 0 | 108.1 | V58 F93 G102 Q106 L109 | V58-V104 HydrophobicContact CG1-CG2 3.7Å; F93-V104 WeakPolarHBondContact CE2-O 2.83Å; G102-V104 PolarHBondContact O-N 3.26Å; V104-Q106 PolarHBondContact O-N 3.43Å; V104-L109 HydrophobicContact CG1-CB 3.94Å | ||
| 105 | S | 90.7 | Very high | 89.9 | Confident | 50 Ų | 50 | 60 Ų | 60 | 35% | 0.35 | 32% | 0.318 | S | S | . | . | trans | -67.4 | 130.3 | 173.6 | 169 | 0 | 0 | 0 | 0 | 110.3 | V103 K107 N108 L109 | V103-S105 PolarHBondContact O-N 2.83Å; S105-K107 PolarHBondContact O-N 3.45Å; S105-K107 VanDerWaalsContact O-N 3.14Å; S105-K107 PolarHBondContact OG-N 2.92Å; S105-N108 PolarHBondContact O-N 3.44Å; S105-L109 PolarHBondContact O-N 3.43Å | ||
| 106 | Q | 90.2 | Very high | 90 | Very high | 61 Ų | 61 | 60.7 Ų | 60.7 | 29% | 0.285 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -51.7 | -35.3 | 173.8 | 65 | -168.6 | -0.1 | 0 | 0 | 113.6 | F93 V104 M110 A135 L139 | F93-Q106 HydrophobicContact CE2-CB 4.1Å; F93-Q106 HydrophobicContact CZ-CB 4.35Å; V104-Q106 PolarHBondContact O-N 3.43Å; Q106-M110 WeakPolarHBondContact O-CB 3.37Å; Q106-M110 VanDerWaalsContact O-CG 3.26Å; Q106-M110 WeakPolarHBondContact O-CG 3.17Å; Q106-M110 PolarHBondContact O-N 2.93Å; Q106-A135 HydrophobicContact CB-CB 4.19Å; Q106-A135 HydrophobicContact CG-CB 4.05Å; Q106-L139 VanDerWaalsContact OE1-CD2 3.24Å |
| 107 | K | 91.5 | Very high | 90.1 | Very high | 149 Ų | 149 | 60.7 Ų | 60.7 | 65% | 0.648 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -71 | -38.6 | 178.8 | -70 | -176.1 | 179.3 | 176.6 | 0 | 111.5 | S105 T111 | S105-K107 PolarHBondContact O-N 3.45Å; S105-K107 VanDerWaalsContact O-N 3.14Å; S105-K107 PolarHBondContact OG-N 2.92Å; K107-T111 WeakPolarHBondContact O-CB 3.4Å; K107-T111 PolarHBondContact O-N 3.31Å; K107-T111 PolarHBondContact O-OG1 3.29Å |
| 108 | N | 93.6 | Very high | 90.1 | Very high | 104 Ų | 104 | 62.8 Ų | 62.8 | 56% | 0.556 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -70.4 | -46.1 | 178.7 | -66.9 | 6.9 | 0 | 0 | 0 | 109.6 | S105 M110 T111 S112 | S105-N108 PolarHBondContact O-N 3.44Å; N108-M110 VanDerWaalsContact C-N 3.35Å; N108-M110 PolarHBondContact O-N 3.39Å; N108-T111 PolarHBondContact O-N 3.47Å; N108-T111 VanDerWaalsContact O-N 3.16Å; N108-S112 PolarHBondContact O-N 2.79Å; N108-S112 PolarHBondContact O-OG 3Å |
| 109 | L | 96.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.005 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -52.7 | -52.2 | 174.7 | 176.7 | 60.7 | 0 | 0 | 0 | 111.5 | V56 P89 L92 F93 V104 S105 T111 S112 C113 | V56-L109 HydrophobicContact CG1-CD1 4.09Å; P89-L109 HydrophobicContact CB-CD2 4.28Å; P89-L109 HydrophobicContact CB-CG 4.48Å; L92-L109 HydrophobicContact CD2-CD1 3.86Å; F93-L109 HydrophobicContact CB-CD2 3.67Å; F93-L109 HydrophobicContact CD2-CD2 4.06Å; F93-L109 HydrophobicContact CG-CD2 4.24Å; V104-L109 HydrophobicContact CG1-CB 3.94Å; S105-L109 PolarHBondContact O-N 3.43Å; L109-T111 VanDerWaalsContact C-N 3.31Å; L109-T111 PolarHBondContact O-N 3.16Å; L109-S112 PolarHBondContact O-N 2.94Å; L109-C113 PolarHBondContact O-N 3.42Å; L109-C113 PolarHBondContact O-SG 2.87Å |
| 110 | M | 97 | Very high | 90.3 | Very high | 2 Ų | 2 | 69.5 Ų | 69.5 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68.1 | -30.8 | -178.1 | -66.7 | -52.7 | -68.2 | 0 | 0 | 113.5 | Q106 N108 R114 Y131 Y133 A135 V138 | Q106-M110 WeakPolarHBondContact O-CB 3.37Å; Q106-M110 VanDerWaalsContact O-CG 3.26Å; Q106-M110 WeakPolarHBondContact O-CG 3.17Å; Q106-M110 PolarHBondContact O-N 2.93Å; N108-M110 VanDerWaalsContact C-N 3.35Å; N108-M110 PolarHBondContact O-N 3.39Å; M110-R114 VanDerWaalsContact O-CG 3.32Å; M110-R114 WeakPolarHBondContact O-CG 3.46Å; M110-R114 PolarHBondContact O-N 2.89Å; M110-R114 VanDerWaalsContact O-N 3.09Å; M110-R114 PolarHBondContact O-NH1 3.46Å; M110-Y131 HydrophobicContact CE-CD1 4.16Å; M110-Y131 HydrophobicContact CE-CE1 3.51Å; M110-Y133 VanDerWaalsContact CE-C 3.41Å; M110-Y133 WeakPolarHBondContact CE-O 3.26Å; M110-A135 HydrophobicContact CG-CB 4.15Å; M110-V138 HydrophobicContact CE-CG2 4.29Å; M110-V138 HydrophobicContact SD-CG2 3.46Å; M110-V138 WeakPolarHBondContact SD-CG2 3.41Å |
| 111 | T | 96.8 | Very high | 91.4 | Very high | 70 Ų | 70 | 61.9 Ų | 61.9 | 43% | 0.429 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65 | -46.9 | 172.1 | -56.8 | 0 | 0 | 0 | 0 | 110.5 | K107 N108 L109 R114 N115 | K107-T111 WeakPolarHBondContact O-CB 3.4Å; K107-T111 PolarHBondContact O-N 3.31Å; K107-T111 PolarHBondContact O-OG1 3.29Å; N108-T111 PolarHBondContact O-N 3.47Å; N108-T111 VanDerWaalsContact O-N 3.16Å; L109-T111 VanDerWaalsContact C-N 3.31Å; L109-T111 PolarHBondContact O-N 3.16Å; T111-R114 PolarHBondContact O-N 2.86Å; T111-N115 VanDerWaalsContact O-CG 3.29Å; T111-N115 PolarHBondContact O-N 3.45Å; T111-N115 PolarHBondContact O-ND2 2.76Å |
| 112 | S | 96.8 | Very high | 92.6 | Very high | 24 Ų | 24 | 62.7 Ų | 62.7 | 17% | 0.168 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 176.9 | -64.4 | 0 | 0 | 0 | 0 | 112.3 | S55 N108 L109 R114 N115 V116 | S55-S112 PolarHBondContact O-OG 3.42Å; S55-S112 WeakPolarHBondContact OG-CB 3.47Å; N108-S112 PolarHBondContact O-N 2.79Å; N108-S112 PolarHBondContact O-OG 3Å; L109-S112 PolarHBondContact O-N 2.94Å; S112-R114 VanDerWaalsContact C-N 3.34Å; S112-R114 PolarHBondContact O-N 3.12Å; S112-N115 PolarHBondContact O-N 3.36Å; S112-N115 VanDerWaalsContact O-N 3.16Å; S112-V116 WeakPolarHBondContact O-CG2 3.24Å; S112-V116 PolarHBondContact O-N 2.88Å |
| 113 | C | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58 | -44.3 | 175 | -68.7 | 0 | 0 | 0 | 0 | 112 | F52 L109 N115 V116 V117 Y131 | F52-C113 HydrophobicContact CD1-CB 4.23Å; F52-C113 HydrophobicContact CE1-CB 3.93Å; F52-C113 HydrophobicContact CE2-CB 4.32Å; F52-C113 HydrophobicContact CZ-CB 3.97Å; L109-C113 PolarHBondContact O-N 3.42Å; L109-C113 PolarHBondContact O-SG 2.87Å; C113-N115 VanDerWaalsContact C-N 3.35Å; C113-N115 PolarHBondContact O-N 3Å; C113-V116 PolarHBondContact O-N 3.35Å; C113-V117 WeakPolarHBondContact O-CB 3.36Å; C113-V117 VanDerWaalsContact O-CG2 3.3Å; C113-V117 WeakPolarHBondContact O-CG2 3.43Å; C113-V117 PolarHBondContact O-N 3.4Å; C113-Y131 HydrophobicContact CB-CD1 4.26Å; C113-Y131 HydrophobicContact CB-CE1 3.78Å |
| 114 | R | 97.3 | Very high | 94.8 | Very high | 98 Ų | 98 | 58.3 Ų | 58.3 | 37% | 0.37 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 175.5 | -73.9 | -176.4 | -167.6 | 98.9 | 7.3 | 112.1 | M110 T111 S112 V117 H118 Y131 Y133 | M110-R114 VanDerWaalsContact O-CG 3.32Å; M110-R114 WeakPolarHBondContact O-CG 3.46Å; M110-R114 PolarHBondContact O-N 2.89Å; M110-R114 VanDerWaalsContact O-N 3.09Å; M110-R114 PolarHBondContact O-NH1 3.46Å; T111-R114 PolarHBondContact O-N 2.86Å; S112-R114 VanDerWaalsContact C-N 3.34Å; S112-R114 PolarHBondContact O-N 3.12Å; R114-V117 PolarHBondContact O-N 2.97Å; R114-H118 VanDerWaalsContact O-CB 3.26Å; R114-H118 WeakPolarHBondContact O-CB 3.47Å; R114-H118 PolarHBondContact O-N 3.24Å; R114-Y131 HydrophobicContact CG-CD1 4.03Å; R114-Y133 PolarHBondContact NH2-O 2.85Å |
| 115 | N | 97.7 | Very high | 95.1 | Very high | 97 Ų | 97 | 57.6 Ų | 57.6 | 52% | 0.519 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 179.2 | -67.8 | -15.5 | 0 | 0 | 0 | 111.7 | T111 S112 C113 H118 S119 | T111-N115 VanDerWaalsContact O-CG 3.29Å; T111-N115 PolarHBondContact O-N 3.45Å; T111-N115 PolarHBondContact O-ND2 2.76Å; S112-N115 PolarHBondContact O-N 3.36Å; S112-N115 VanDerWaalsContact O-N 3.16Å; C113-N115 VanDerWaalsContact C-N 3.35Å; C113-N115 PolarHBondContact O-N 3Å; N115-H118 PolarHBondContact O-N 3.19Å; N115-S119 WeakPolarHBondContact O-CB 3.43Å; N115-S119 PolarHBondContact O-N 3.2Å; N115-S119 PolarHBondContact O-OG 2.88Å; N115-S119 VanDerWaalsContact O-OG 3.05Å |
| 116 | V | 98.4 | Very high | 94.9 | Very high | 15 Ų | 15 | 59.3 Ų | 59.3 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 176.5 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | A51 F52 S55 S112 C113 S119 H120 Y121 | A51-V116 HydrophobicContact CB-CG1 3.77Å; F52-V116 HydrophobicContact CD1-CB 3.83Å; F52-V116 HydrophobicContact CD1-CG1 3.71Å; F52-V116 HydrophobicContact CD1-CG2 4.23Å; F52-V116 HydrophobicContact CE1-CB 3.83Å; F52-V116 HydrophobicContact CE1-CG1 3.7Å; S55-V116 VanDerWaalsContact CB-CG2 3.46Å; S112-V116 WeakPolarHBondContact O-CG2 3.24Å; S112-V116 PolarHBondContact O-N 2.88Å; C113-V116 PolarHBondContact O-N 3.35Å; V116-S119 PolarHBondContact O-N 2.94Å; V116-H120 PolarHBondContact O-N 3.33Å; V116-Y121 HydrophobicContact CG1-CD2 3.93Å; V116-Y121 HydrophobicContact CG1-CE2 3.72Å |
| 117 | V | 97.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | I | π-helix | trans | -62.9 | -46.4 | 177.4 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | F52 W85 C113 R114 S119 Y121 L122 F125 Y131 | F52-V117 HydrophobicContact CE1-CG2 4.04Å; F52-V117 HydrophobicContact CZ-CG2 3.94Å; W85-V117 HydrophobicContact CE3-CG2 4.48Å; W85-V117 HydrophobicContact CZ3-CG2 4.05Å; C113-V117 WeakPolarHBondContact O-CB 3.36Å; C113-V117 VanDerWaalsContact O-CG2 3.3Å; C113-V117 WeakPolarHBondContact O-CG2 3.43Å; C113-V117 PolarHBondContact O-N 3.4Å; R114-V117 PolarHBondContact O-N 2.97Å; V117-S119 VanDerWaalsContact C-N 3.29Å; V117-S119 PolarHBondContact O-N 2.98Å; V117-Y121 CarbonylContact O-C 3.57Å; V117-Y121 VanDerWaalsContact O-C 3.26Å; V117-Y121 WeakPolarHBondContact O-CA 3.43Å; V117-Y121 PolarHBondContact O-N 3.4Å; V117-L122 PolarHBondContact O-N 3.05Å; V117-F125 HydrophobicContact CG1-CD2 3.51Å; V117-F125 HydrophobicContact CG1-CE2 3.37Å; V117-F125 HydrophobicContact CG1-CG 4.44Å; V117-F125 HydrophobicContact CG1-CZ 4.22Å; V117-F125 HydrophobicContact CG2-CE2 4.34Å; V117-Y131 HydrophobicContact CB-CD2 4.43Å; V117-Y131 HydrophobicContact CB-CG 4.43Å; V117-Y131 HydrophobicContact CG1-CD2 4.42Å; V117-Y131 HydrophobicContact CG2-CD2 3.71Å; V117-Y131 HydrophobicContact CG2-CE2 4.25Å; V117-Y131 HydrophobicContact CG2-CG 4.06Å |
| 118 | H | 96 | Very high | 94.1 | Very high | 131 Ų | 131 | 57.4 Ų | 57.4 | 61% | 0.606 | 32% | 0.319 | S | S | * | . | I | π-helix | trans | -58.7 | -40.9 | 177.6 | -179.1 | -81.7 | 0 | 0 | 0 | 112.1 | R114 N115 | R114-H118 VanDerWaalsContact O-CB 3.26Å; R114-H118 WeakPolarHBondContact O-CB 3.47Å; R114-H118 PolarHBondContact O-N 3.24Å; N115-H118 PolarHBondContact O-N 3.19Å |
| 119 | S | 96.4 | Very high | 93.7 | Very high | 81 Ų | 81 | 62.3 Ų | 62.3 | 57% | 0.566 | 33% | 0.331 | S | S | * | . | I | π-helix | trans | -78.5 | -35.1 | -176.6 | -63.2 | 0 | 0 | 0 | 0 | 114.3 | N115 V116 V117 | N115-S119 WeakPolarHBondContact O-CB 3.43Å; N115-S119 PolarHBondContact O-N 3.2Å; N115-S119 PolarHBondContact O-OG 2.88Å; N115-S119 VanDerWaalsContact O-OG 3.05Å; V116-S119 PolarHBondContact O-N 2.94Å; V117-S119 VanDerWaalsContact C-N 3.29Å; V117-S119 PolarHBondContact O-N 2.98Å |
| 120 | H | 95.7 | Very high | 93.3 | Very high | 133 Ų | 133 | 63.1 Ų | 63.1 | 62% | 0.616 | 34% | 0.34 | S | S | * | . | I | π-helix | trans | -126.4 | -23.4 | -167.6 | -61.6 | -70.7 | 0 | 0 | 0 | 114.9 | V116 | V116-H120 PolarHBondContact O-N 3.33Å |
| 121 | Y | 95.8 | Very high | 93.2 | Very high | 21 Ų | 21 | 63.7 Ų | 63.7 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | I | π-helix | trans | -126.3 | 13 | -168.4 | -57.6 | -76 | 0 | 0 | 0 | 113.6 | F44 V48 A51 W85 V116 V117 I123 Y124 F125 | F44-Y121 AromaticContact CE2-CD1 3.88Å; F44-Y121 HydrophobicContact CE2-CD1 3.88Å; F44-Y121 AromaticContact CE2-CE1 3.78Å; F44-Y121 HydrophobicContact CE2-CE1 3.78Å; F44-Y121 AromaticContact CZ-CD1 3.69Å; F44-Y121 HydrophobicContact CZ-CD1 3.69Å; F44-Y121 AromaticContact CZ-CE1 3.92Å; F44-Y121 HydrophobicContact CZ-CE1 3.92Å; V48-Y121 HydrophobicContact CG2-CD1 4.2Å; V48-Y121 HydrophobicContact CG2-CE1 3.76Å; V48-Y121 HydrophobicContact CG2-CE2 4.29Å; A51-Y121 HydrophobicContact CB-CE2 4.25Å; W85-Y121 HydrophobicContact CH2-CD1 4.02Å; W85-Y121 AromaticContact CH2-CG 3.9Å; W85-Y121 HydrophobicContact CH2-CG 3.9Å; W85-Y121 HydrophobicContact CZ3-CG 4.36Å; V116-Y121 HydrophobicContact CG1-CD2 3.93Å; V116-Y121 HydrophobicContact CG1-CE2 3.72Å; V117-Y121 CarbonylContact O-C 3.57Å; V117-Y121 VanDerWaalsContact O-C 3.26Å; V117-Y121 WeakPolarHBondContact O-CA 3.43Å; V117-Y121 PolarHBondContact O-N 3.4Å; Y121-I123 PolarHBondContact O-N 2.94Å; Y121-I123 VanDerWaalsContact O-N 3.17Å; Y121-Y124 HydrophobicContact CD1-CD2 4.08Å; Y121-Y124 AromaticContact CD1-CE2 3.82Å; Y121-Y124 HydrophobicContact CD1-CE2 3.82Å; Y121-Y124 WeakPolarHBondContact O-CD2 3.26Å; Y121-Y124 PolarHBondContact O-N 3.02Å; Y121-Y124 VanDerWaalsContact O-N 3.07Å; Y121-F125 WeakPolarHBondContact O-CD2 3.29Å |
| 122 | L | 93.4 | Very high | 93 | Very high | 76 Ų | 76 | 62.4 Ų | 62.4 | 40% | 0.398 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -62 | -28 | -175.5 | -170.4 | 63 | 0 | 0 | 0 | 112.7 | V117 Y124 F125 | V117-L122 PolarHBondContact O-N 3.05Å; L122-Y124 PolarHBondContact O-N 3.24Å; L122-Y124 VanDerWaalsContact O-N 3.13Å; L122-F125 PolarHBondContact O-N 3.42Å |
| 123 | I | 93 | Very high | 92.9 | Very high | 87 Ų | 87 | 61.8 Ų | 61.8 | 45% | 0.446 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -58.7 | -23.7 | 176.3 | 64.1 | 174.8 | 0 | 0 | 0 | 113.4 | Y121 F125 L298 P302 | Y121-I123 PolarHBondContact O-N 2.94Å; Y121-I123 VanDerWaalsContact O-N 3.17Å; I123-F125 VanDerWaalsContact C-N 3.29Å; I123-L298 HydrophobicContact CD1-CD2 3.91Å; I123-P302 HydrophobicContact CD1-CG 4.24Å |
| 124 | Y | 92.7 | Very high | 92.7 | Very high | 2 Ų | 2 | 68 Ų | 68 | 1% | 0.008 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -86.7 | 0.2 | 177.8 | -53.1 | -71.2 | 0 | 0 | 0 | 112.7 | F44 W85 Y121 L122 P126 M301 P302 L305 L306 R311 | F44-Y124 HydrophobicContact CE2-CD2 4.34Å; F44-Y124 HydrophobicContact CE2-CE1 4.38Å; F44-Y124 AromaticContact CE2-CE2 3.55Å; F44-Y124 HydrophobicContact CE2-CE2 3.55Å; F44-Y124 AromaticContact CE2-CZ 3.55Å; F44-Y124 WeakPolarHBondContact CE2-OH 3.36Å; F44-Y124 AromaticContact CZ-CD2 3.8Å; F44-Y124 HydrophobicContact CZ-CD2 3.8Å; F44-Y124 HydrophobicContact CZ-CE1 4.33Å; F44-Y124 AromaticContact CZ-CE2 3.48Å; F44-Y124 HydrophobicContact CZ-CE2 3.48Å; F44-Y124 VanDerWaalsContact CZ-CE2 3.48Å; F44-Y124 HydrophobicContact CZ-CG 4.37Å; F44-Y124 AromaticContact CZ-CZ 3.75Å; W85-Y124 HydrophobicContact CH2-CD2 4.3Å; W85-Y124 HydrophobicContact CZ2-CD2 4.07Å; W85-Y124 HydrophobicContact CZ2-CG 4.07Å; Y121-Y124 HydrophobicContact CD1-CD2 4.08Å; Y121-Y124 AromaticContact CD1-CE2 3.82Å; Y121-Y124 HydrophobicContact CD1-CE2 3.82Å; Y121-Y124 WeakPolarHBondContact O-CD2 3.26Å; Y121-Y124 PolarHBondContact O-N 3.02Å; Y121-Y124 VanDerWaalsContact O-N 3.07Å; L122-Y124 PolarHBondContact O-N 3.24Å; L122-Y124 VanDerWaalsContact O-N 3.13Å; Y124-P126 VanDerWaalsContact C-CD 3.4Å; Y124-P126 WeakPolarHBondContact O-CD 3.37Å; Y124-M301 HydrophobicContact CE1-CB 3.55Å; Y124-M301 WeakPolarHBondContact OH-CB 3.29Å; Y124-P302 HydrophobicContact CD1-CG 4.47Å; Y124-P302 HydrophobicContact CE1-CB 4.46Å; Y124-P302 HydrophobicContact CE1-CG 3.82Å; Y124-L305 HydrophobicContact CD1-CD1 3.93Å; Y124-L305 HydrophobicContact CE1-CD1 4.12Å; Y124-L305 HydrophobicContact CG-CD1 4.46Å; Y124-L306 WeakPolarHBondContact O-CD2 3.46Å; Y124-R311 PolarHBondContact O-NH1 3.14Å |
| 125 | F | 91.8 | Very high | 92.7 | Very high | 6 Ų | 6 | 64.5 Ų | 64.5 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | trans | -124.8 | 63.1 | 178.3 | -60.2 | -87.3 | 0 | 0 | 0 | 110.9 | W85 V117 Y121 L122 I123 D127 G128 G130 Y131 P132 | W85-F125 HydrophobicContact CD2-CE2 4.17Å; W85-F125 AromaticContact CD2-CZ 3.59Å; W85-F125 HydrophobicContact CD2-CZ 3.59Å; W85-F125 AromaticContact CE2-CZ 3.78Å; W85-F125 HydrophobicContact CE3-CE2 4.2Å; W85-F125 AromaticContact CE3-CZ 3.85Å; W85-F125 HydrophobicContact CE3-CZ 3.85Å; W85-F125 AromaticContact CG-CZ 3.97Å; W85-F125 HydrophobicContact CG-CZ 3.97Å; W85-F125 HydrophobicContact CH2-CE2 4.1Å; W85-F125 HydrophobicContact CH2-CZ 4.48Å; W85-F125 HydrophobicContact CZ2-CE2 4.02Å; W85-F125 HydrophobicContact CZ2-CZ 4.23Å; W85-F125 HydrophobicContact CZ3-CE2 4.17Å; W85-F125 HydrophobicContact CZ3-CZ 4.29Å; V117-F125 HydrophobicContact CG1-CD2 3.51Å; V117-F125 HydrophobicContact CG1-CE2 3.37Å; V117-F125 HydrophobicContact CG1-CG 4.44Å; V117-F125 HydrophobicContact CG1-CZ 4.22Å; V117-F125 HydrophobicContact CG2-CE2 4.34Å; Y121-F125 WeakPolarHBondContact O-CD2 3.29Å; L122-F125 PolarHBondContact O-N 3.42Å; I123-F125 VanDerWaalsContact C-N 3.29Å; F125-D127 PolarHBondContact O-N 2.76Å; F125-G128 PolarHBondContact O-N 3.16Å; F125-G130 VanDerWaalsContact CD1-O 3.3Å; F125-G130 WeakPolarHBondContact CD1-O 3.3Å; F125-Y131 HydrophobicContact CE1-CD2 4.17Å; F125-Y131 HydrophobicContact CE2-CD2 4.47Å; F125-Y131 AromaticContact CZ-CD2 3.77Å; F125-Y131 HydrophobicContact CZ-CD2 3.77Å; F125-Y131 HydrophobicContact CZ-CE2 4.4Å; F125-P132 HydrophobicContact CE1-CG 4.4Å | ||
| 126 | P | 86.5 | Confident | 92.6 | Very high | 86 Ų | 86 | 65.7 Ų | 65.7 | 56% | 0.558 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -18.7 | -172.4 | 28.8 | -37.5 | 0 | 0 | 0 | 114.2 | Y124 G128 L306 | Y124-P126 VanDerWaalsContact C-CD 3.4Å; Y124-P126 WeakPolarHBondContact O-CD 3.37Å; P126-G128 PolarHBondContact O-N 2.84Å; P126-G128 VanDerWaalsContact O-N 3.09Å; P126-L306 HydrophobicContact CG-CD1 4.27Å |
| 127 | D | 84.8 | Confident | 92.5 | Very high | 106 Ų | 106 | 66.8 Ų | 66.8 | 57% | 0.567 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -9.6 | 179.2 | -50 | -41.5 | 0 | 0 | 0 | 112.8 | F125 Y129 R311 | F125-D127 PolarHBondContact O-N 2.76Å; D127-Y129 HydrophobicContact CB-CD2 3.69Å; D127-Y129 HydrophobicContact CB-CE2 4.14Å; D127-Y129 PolarHBondContact O-N 3.42Å; D127-R311 IonicContact OD2-NH2 2.87Å; D127-R311 PolarHBondContact OD2-NH2 3.22Å |
| 128 | G | 81.5 | Confident | 92.5 | Very high | 65 Ų | 65 | 66.7 Ų | 66.7 | 67% | 0.67 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | -10.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | F125 P126 G130 | F125-G128 PolarHBondContact O-N 3.16Å; P126-G128 PolarHBondContact O-N 2.84Å; P126-G128 VanDerWaalsContact O-N 3.09Å; G128-G130 PolarHBondContact O-N 2.91Å |
| 129 | Y | 84.4 | Confident | 92.5 | Very high | 207 Ų | 207 | 62.4 Ų | 62.4 | 81% | 0.812 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -9.7 | 176 | -60.4 | -65.2 | 0 | 0 | 0 | 114.1 | D127 | D127-Y129 HydrophobicContact CB-CD2 3.69Å; D127-Y129 HydrophobicContact CB-CE2 4.14Å; D127-Y129 PolarHBondContact O-N 3.42Å |
| 130 | G | 88.9 | Confident | 92.5 | Very high | 18 Ų | 18 | 64.1 Ų | 64.1 | 19% | 0.186 | 33% | 0.332 | C | S | . | . | trans | 67.1 | -153.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F125 G128 P132 | F125-G130 VanDerWaalsContact CD1-O 3.3Å; F125-G130 WeakPolarHBondContact CD1-O 3.3Å; G128-G130 PolarHBondContact O-N 2.91Å; G130-P132 VanDerWaalsContact O-CD 3.32Å; G130-P132 WeakPolarHBondContact O-CD 3.39Å | ||
| 131 | Y | 94.1 | Very high | 92.6 | Very high | 14 Ų | 14 | 57.9 Ų | 57.9 | 6% | 0.055 | 30% | 0.303 | C | S | . | . | trans | -70.1 | 112.9 | -177.9 | -171 | -117.9 | 0 | 0 | 0 | 111.3 | W85 P89 M110 C113 R114 V117 F125 Y133 | W85-Y131 HydrophobicContact CB-CE2 4.21Å; W85-Y131 HydrophobicContact CE3-CE2 4.11Å; W85-Y131 PolarHBondContact O-OH 3.09Å; P89-Y131 WeakPolarHBondContact CG-OH 3.4Å; M110-Y131 HydrophobicContact CE-CD1 4.16Å; M110-Y131 HydrophobicContact CE-CE1 3.51Å; C113-Y131 HydrophobicContact CB-CD1 4.26Å; C113-Y131 HydrophobicContact CB-CE1 3.78Å; R114-Y131 HydrophobicContact CG-CD1 4.03Å; V117-Y131 HydrophobicContact CB-CD2 4.43Å; V117-Y131 HydrophobicContact CB-CG 4.43Å; V117-Y131 HydrophobicContact CG1-CD2 4.42Å; V117-Y131 HydrophobicContact CG2-CD2 3.71Å; V117-Y131 HydrophobicContact CG2-CE2 4.25Å; V117-Y131 HydrophobicContact CG2-CG 4.06Å; F125-Y131 HydrophobicContact CE1-CD2 4.17Å; F125-Y131 HydrophobicContact CE2-CD2 4.47Å; F125-Y131 AromaticContact CZ-CD2 3.77Å; F125-Y131 HydrophobicContact CZ-CD2 3.77Å; F125-Y131 HydrophobicContact CZ-CE2 4.4Å; Y131-Y133 HydrophobicContact CD2-CD2 4.49Å; Y131-Y133 AromaticContact CE2-CD2 3.87Å; Y131-Y133 HydrophobicContact CE2-CD2 3.87Å; Y131-Y133 AromaticContact CZ-CD2 3.89Å; Y131-Y133 PolarHBondContact O-N 2.92Å | ||
| 132 | P | 92.7 | Very high | 92.7 | Very high | 43 Ų | 43 | 57.3 Ų | 57.3 | 28% | 0.279 | 30% | 0.301 | S | S | . | . | trans | -83.5 | -17.2 | -161.6 | 33.1 | -37.1 | 0 | 0 | 0 | 113.9 | F125 G130 I314 | F125-P132 HydrophobicContact CE1-CG 4.4Å; G130-P132 VanDerWaalsContact O-CD 3.32Å; G130-P132 WeakPolarHBondContact O-CD 3.39Å; P132-I314 HydrophobicContact CB-CD1 3.58Å; P132-I314 HydrophobicContact CG-CD1 3.4Å | ||
| 133 | Y | 95.2 | Very high | 92.9 | Very high | 10 Ų | 10 | 60.4 Ų | 60.4 | 4% | 0.039 | 31% | 0.311 | C | S | . | . | trans | -78.2 | 150.6 | -171.9 | -62.3 | -67.1 | 0 | 0 | 0 | 113.4 | D83 W85 L86 M110 R114 Y131 D137 I314 | D83-Y133 WeakPolarHBondContact CB-OH 3.39Å; D83-Y133 PolarHBondContact OD2-OH 2.91Å; W85-Y133 HydrophobicContact CB-CD2 4.38Å; W85-Y133 HydrophobicContact CB-CE2 3.76Å; L86-Y133 HydrophobicContact CB-CD1 3.92Å; L86-Y133 HydrophobicContact CB-CD2 4.05Å; L86-Y133 HydrophobicContact CB-CE1 3.72Å; L86-Y133 HydrophobicContact CB-CE2 3.86Å; L86-Y133 HydrophobicContact CB-CG 4.09Å; L86-Y133 HydrophobicContact CD1-CD1 3.78Å; L86-Y133 HydrophobicContact CD1-CE1 4.37Å; L86-Y133 HydrophobicContact CD1-CG 3.91Å; L86-Y133 HydrophobicContact CD2-CD1 3.98Å; L86-Y133 HydrophobicContact CD2-CE1 3.84Å; L86-Y133 HydrophobicContact CG-CD1 4.1Å; L86-Y133 HydrophobicContact CG-CE1 4.17Å; L86-Y133 HydrophobicContact CG-CG 4.47Å; M110-Y133 VanDerWaalsContact CE-C 3.41Å; M110-Y133 WeakPolarHBondContact CE-O 3.26Å; R114-Y133 PolarHBondContact NH2-O 2.85Å; Y131-Y133 HydrophobicContact CD2-CD2 4.49Å; Y131-Y133 AromaticContact CE2-CD2 3.87Å; Y131-Y133 HydrophobicContact CE2-CD2 3.87Å; Y131-Y133 AromaticContact CZ-CD2 3.89Å; Y131-Y133 PolarHBondContact O-N 2.92Å; Y133-D137 WeakPolarHBondContact CA-OD2 3.43Å; Y133-D137 HydrophobicContact CD1-CB 4.21Å; Y133-I314 HydrophobicContact CD1-CD1 4.02Å; Y133-I314 HydrophobicContact CE1-CD1 3.39Å; Y133-I314 HydrophobicContact CE1-CG1 4Å; Y133-I314 HydrophobicContact CE2-CD1 4.32Å | ||
| 134 | R | 94 | Very high | 93.2 | Very high | 132 Ų | 132 | 59 Ų | 59 | 50% | 0.498 | 30% | 0.304 | S | S | . | . | trans | -115.6 | 167.7 | -179.3 | -60.1 | 176.5 | 177.5 | -173 | -1.9 | 110.4 | Q136 D137 V138 | R134-Q136 PolarHBondContact O-N 3.45Å; R134-D137 PolarHBondContact N-OD2 3.41Å; R134-D137 PolarHBondContact O-N 3.17Å; R134-V138 PolarHBondContact O-N 3.22Å | ||
| 135 | A | 95.7 | Very high | 93.5 | Very high | 23 Ų | 23 | 58.9 Ų | 58.9 | 19% | 0.19 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.9 | -33.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q106 M110 V138 L139 | Q106-A135 HydrophobicContact CB-CB 4.19Å; Q106-A135 HydrophobicContact CG-CB 4.05Å; M110-A135 HydrophobicContact CG-CB 4.15Å; A135-V138 PolarHBondContact O-N 3.49Å; A135-L139 PolarHBondContact O-N 3.42Å |
| 136 | Q | 95.9 | Very high | 93.8 | Very high | 122 Ų | 122 | 60.2 Ų | 60.2 | 57% | 0.57 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.6 | -40.2 | 177.2 | -173 | 58.4 | 38.2 | 0 | 0 | 112 | R134 V138 L139 E140 | R134-Q136 PolarHBondContact O-N 3.45Å; Q136-V138 VanDerWaalsContact C-N 3.28Å; Q136-V138 PolarHBondContact O-N 3.34Å; Q136-L139 WeakPolarHBondContact O-CB 3.41Å; Q136-L139 PolarHBondContact O-N 2.93Å; Q136-L139 VanDerWaalsContact O-N 3.14Å; Q136-E140 PolarHBondContact O-N 3.28Å |
| 137 | D | 96.1 | Very high | 94.3 | Very high | 38 Ų | 38 | 63.4 Ų | 63.4 | 20% | 0.203 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.5 | -37.4 | 179.3 | -46.5 | -27.8 | 0 | 0 | 0 | 110.8 | L86 Y133 R134 E140 C141 | L86-D137 HydrophobicContact CD1-CB 3.74Å; L86-D137 HydrophobicContact CD2-CB 4.2Å; Y133-D137 WeakPolarHBondContact CA-OD2 3.43Å; Y133-D137 HydrophobicContact CD1-CB 4.21Å; R134-D137 PolarHBondContact N-OD2 3.41Å; R134-D137 PolarHBondContact O-N 3.17Å; D137-E140 PolarHBondContact O-N 3.41Å; D137-C141 WeakPolarHBondContact O-CB 3.29Å; D137-C141 PolarHBondContact O-N 2.63Å |
| 138 | V | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.2 | -38.8 | 174.9 | 169.6 | 0 | 0 | 0 | 0 | 111.9 | L86 P89 F93 M110 R134 A135 Q136 E142 | L86-V138 HydrophobicContact CD1-CG2 4.01Å; P89-V138 HydrophobicContact CB-CG2 4.33Å; P89-V138 HydrophobicContact CG-CG2 4.06Å; F93-V138 HydrophobicContact CB-CG1 4.01Å; F93-V138 HydrophobicContact CD1-CG1 4.1Å; F93-V138 HydrophobicContact CG-CG1 4.1Å; M110-V138 HydrophobicContact CE-CG2 4.29Å; M110-V138 HydrophobicContact SD-CG2 3.46Å; M110-V138 WeakPolarHBondContact SD-CG2 3.41Å; R134-V138 PolarHBondContact O-N 3.22Å; A135-V138 PolarHBondContact O-N 3.49Å; Q136-V138 VanDerWaalsContact C-N 3.28Å; Q136-V138 PolarHBondContact O-N 3.34Å; V138-E142 VanDerWaalsContact O-CB 3.31Å; V138-E142 WeakPolarHBondContact O-CB 3.49Å; V138-E142 PolarHBondContact O-N 3.21Å |
| 139 | L | 96.3 | Very high | 95.6 | Very high | 40 Ų | 40 | 56.6 Ų | 56.6 | 21% | 0.209 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 175.7 | -71.2 | -178.8 | 0 | 0 | 0 | 112.1 | F93 Q106 A135 Q136 E142 F143 | F93-L139 HydrophobicContact CE1-CD2 3.76Å; F93-L139 HydrophobicContact CZ-CD2 4.09Å; Q106-L139 VanDerWaalsContact OE1-CD2 3.24Å; A135-L139 PolarHBondContact O-N 3.42Å; Q136-L139 WeakPolarHBondContact O-CB 3.41Å; Q136-L139 PolarHBondContact O-N 2.93Å; Q136-L139 VanDerWaalsContact O-N 3.14Å; L139-E142 WeakPolarHBondContact O-CB 3.39Å; L139-E142 PolarHBondContact O-N 3.37Å; L139-F143 WeakPolarHBondContact O-CD2 3.3Å; L139-F143 PolarHBondContact O-N 3.27Å |
| 140 | E | 97.5 | Very high | 96.2 | Very high | 118 Ų | 118 | 52.1 Ų | 52.1 | 55% | 0.551 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -66.8 | -45.9 | 177 | -175.1 | 172.1 | -178.4 | 0 | 0 | 111.3 | Q136 D137 E142 F143 I144 | Q136-E140 PolarHBondContact O-N 3.28Å; D137-E140 PolarHBondContact O-N 3.41Å; E140-E142 VanDerWaalsContact C-N 3.26Å; E140-E142 PolarHBondContact O-N 2.93Å; E140-F143 WeakPolarHBondContact O-CB 3.3Å; E140-F143 PolarHBondContact O-N 3.35Å; E140-F143 VanDerWaalsContact O-N 3.08Å; E140-I144 PolarHBondContact O-N 3.09Å |
| 141 | C | 97.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.2 | -33.5 | 176.3 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | L86 M87 S90 D137 F143 I144 L145 | L86-C141 HydrophobicContact CD1-CB 4.28Å; L86-C141 HydrophobicContact CD2-CB 4.05Å; L86-C141 HydrophobicContact CG-CB 3.92Å; M87-C141 VanDerWaalsContact CE-SG 3.55Å; S90-C141 VanDerWaalsContact OG-CB 3.32Å; S90-C141 WeakPolarHBondContact OG-CB 3.36Å; S90-C141 PolarHBondContact OG-SG 3.25Å; S90-C141 VanDerWaalsContact OG-SG 3.37Å; D137-C141 WeakPolarHBondContact O-CB 3.29Å; D137-C141 PolarHBondContact O-N 2.63Å; C141-F143 PolarHBondContact O-N 2.98Å; C141-I144 PolarHBondContact O-N 3.27Å; C141-L145 WeakPolarHBondContact O-CB 3.5Å; C141-L145 PolarHBondContact O-N 3.46Å |
| 142 | E | 97.7 | Very high | 96.6 | Very high | 9 Ų | 9 | 55.2 Ų | 55.2 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 171.8 | 167.5 | 173 | -110.2 | 0 | 0 | 112.5 | F93 L94 K97 V138 L139 E140 I144 L145 L146 | F93-E142 WeakPolarHBondContact CD1-OE1 3.32Å; F93-E142 WeakPolarHBondContact CE1-OE2 3.19Å; L94-E142 HydrophobicContact CD1-CG 4.4Å; K97-E142 WeakPolarHBondContact CE-OE1 3.32Å; K97-E142 IonicContact NZ-OE1 2.65Å; K97-E142 PolarHBondContact NZ-OE1 2.83Å; K97-E142 IonicContact NZ-OE2 3.75Å; K97-E142 PolarHBondContact NZ-OE2 3.27Å; V138-E142 VanDerWaalsContact O-CB 3.31Å; V138-E142 WeakPolarHBondContact O-CB 3.49Å; V138-E142 PolarHBondContact O-N 3.21Å; L139-E142 WeakPolarHBondContact O-CB 3.39Å; L139-E142 PolarHBondContact O-N 3.37Å; E140-E142 VanDerWaalsContact C-N 3.26Å; E140-E142 PolarHBondContact O-N 2.93Å; E142-I144 VanDerWaalsContact C-N 3.33Å; E142-I144 PolarHBondContact O-N 3.38Å; E142-L145 PolarHBondContact O-N 3Å; E142-L146 HydrophobicContact CG-CD1 3.96Å; E142-L146 HydrophobicContact CG-CG 4.5Å; E142-L146 WeakPolarHBondContact O-CB 3.45Å; E142-L146 WeakPolarHBondContact O-CG 3.48Å; E142-L146 PolarHBondContact O-N 2.64Å |
| 143 | F | 98.2 | Very high | 96.7 | Very high | 141 Ų | 141 | 55 Ų | 55 | 62% | 0.618 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 176.2 | -77.7 | -71.8 | 0 | 0 | 0 | 111.5 | L139 E140 C141 L145 L146 E147 | L139-F143 WeakPolarHBondContact O-CD2 3.3Å; L139-F143 PolarHBondContact O-N 3.27Å; E140-F143 WeakPolarHBondContact O-CB 3.3Å; E140-F143 PolarHBondContact O-N 3.35Å; E140-F143 VanDerWaalsContact O-N 3.08Å; C141-F143 PolarHBondContact O-N 2.98Å; F143-L145 VanDerWaalsContact C-N 3.33Å; F143-L145 PolarHBondContact O-N 3.19Å; F143-L146 WeakPolarHBondContact O-CB 3.45Å; F143-L146 PolarHBondContact O-N 3.01Å; F143-E147 PolarHBondContact O-N 3.13Å |
| 144 | I | 98.4 | Very high | 96.7 | Very high | 58 Ų | 58 | 58 Ų | 58 | 30% | 0.297 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 175.7 | -62.3 | 171.2 | 0 | 0 | 0 | 110.7 | F73 I82 E140 C141 E142 E147 A148 | F73-I144 HydrophobicContact CE2-CG2 4.15Å; I82-I144 HydrophobicContact CD1-CD1 3.86Å; I82-I144 HydrophobicContact CG1-CG2 4.34Å; E140-I144 PolarHBondContact O-N 3.09Å; C141-I144 PolarHBondContact O-N 3.27Å; E142-I144 VanDerWaalsContact C-N 3.33Å; E142-I144 PolarHBondContact O-N 3.38Å; I144-E147 PolarHBondContact O-N 2.75Å; I144-A148 VanDerWaalsContact O-CB 3.26Å; I144-A148 WeakPolarHBondContact O-CB 3.46Å; I144-A148 PolarHBondContact O-N 3.09Å |
| 145 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 177.9 | 178 | 58.9 | 0 | 0 | 0 | 111.8 | F73 M87 C91 L94 C141 E142 F143 M149 | F73-L145 HydrophobicContact CB-CD1 4Å; F73-L145 HydrophobicContact CD2-CD1 3.97Å; F73-L145 HydrophobicContact CG-CD1 4.34Å; M87-L145 HydrophobicContact SD-CB 4.33Å; M87-L145 HydrophobicContact SD-CD1 3.98Å; M87-L145 HydrophobicContact SD-CD2 4.17Å; M87-L145 HydrophobicContact SD-CG 4.38Å; C91-L145 HydrophobicContact CB-CD2 4.32Å; L94-L145 HydrophobicContact CB-CD2 4.35Å; L94-L145 HydrophobicContact CD2-CD2 3.69Å; L94-L145 HydrophobicContact CD2-CG 3.89Å; C141-L145 WeakPolarHBondContact O-CB 3.5Å; C141-L145 PolarHBondContact O-N 3.46Å; E142-L145 PolarHBondContact O-N 3Å; F143-L145 VanDerWaalsContact C-N 3.33Å; F143-L145 PolarHBondContact O-N 3.19Å; L145-M149 HydrophobicContact CD1-CE 3.64Å; L145-M149 HydrophobicContact CD1-CG 4.26Å; L145-M149 HydrophobicContact CD1-SD 4.01Å; L145-M149 HydrophobicContact CD2-CE 4.38Å; L145-M149 HydrophobicContact CG-CE 3.67Å; L145-M149 WeakPolarHBondContact O-CB 3.46Å; L145-M149 WeakPolarHBondContact O-CG 3.42Å; L145-M149 PolarHBondContact O-N 3.18Å; L145-M149 VanDerWaalsContact O-N 3.14Å |
| 146 | L | 98.6 | Very high | 96.8 | Very high | 34 Ų | 34 | 54.2 Ų | 54.2 | 18% | 0.178 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 175.1 | -81.1 | 164 | 0 | 0 | 0 | 112.1 | L94 E142 F143 M149 D150 C151 L153 | L94-L146 HydrophobicContact CD1-CD2 4.05Å; L94-L146 HydrophobicContact CD1-CG 4.28Å; L94-L146 HydrophobicContact CD2-CD2 4.24Å; L94-L146 HydrophobicContact CD2-CG 4.22Å; E142-L146 HydrophobicContact CG-CD1 3.96Å; E142-L146 HydrophobicContact CG-CG 4.5Å; E142-L146 WeakPolarHBondContact O-CB 3.45Å; E142-L146 WeakPolarHBondContact O-CG 3.48Å; E142-L146 PolarHBondContact O-N 2.64Å; F143-L146 WeakPolarHBondContact O-CB 3.45Å; F143-L146 PolarHBondContact O-N 3.01Å; L146-M149 PolarHBondContact O-N 2.8Å; L146-D150 PolarHBondContact O-N 2.94Å; L146-C151 PolarHBondContact O-N 3.33Å; L146-L153 HydrophobicContact CD2-CD1 3.71Å; L146-L153 HydrophobicContact CD2-CD2 3.84Å; L146-L153 HydrophobicContact CD2-CG 4.21Å |
| 147 | E | 98 | Very high | 96.8 | Very high | 152 Ų | 152 | 49.3 Ų | 49.3 | 71% | 0.71 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65.4 | -49.1 | 177.1 | -176.4 | 176.9 | -179.8 | 0 | 0 | 111.3 | F143 I144 M149 D150 | F143-E147 PolarHBondContact O-N 3.13Å; I144-E147 PolarHBondContact O-N 2.75Å; E147-M149 PolarHBondContact O-N 2.57Å; E147-M149 VanDerWaalsContact O-N 3.1Å; E147-D150 PolarHBondContact O-N 3.34Å |
| 148 | A | 96.7 | Very high | 96.9 | Very high | 28 Ų | 28 | 47.6 Ų | 47.6 | 23% | 0.231 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.6 | -23.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | F73 I144 | F73-A148 HydrophobicContact CD2-CB 3.75Å; F73-A148 HydrophobicContact CE2-CB 3.78Å; I144-A148 VanDerWaalsContact O-CB 3.26Å; I144-A148 WeakPolarHBondContact O-CB 3.46Å; I144-A148 PolarHBondContact O-N 3.09Å |
| 149 | M | 97 | Very high | 97 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 7.5 | 175.7 | -66.1 | -169.9 | -58.2 | 0 | 0 | 114 | W14 Y69 R72 L94 L145 L146 E147 C151 S152 L153 | W14-M149 HydrophobicContact CH2-CB 4.35Å; W14-M149 HydrophobicContact CH2-CG 4.02Å; W14-M149 HydrophobicContact CZ2-CB 3.88Å; W14-M149 HydrophobicContact CZ2-CG 4Å; Y69-M149 HydrophobicContact CD1-CE 3.69Å; Y69-M149 HydrophobicContact CD1-SD 3.59Å; Y69-M149 VanDerWaalsContact CD1-SD 3.59Å; Y69-M149 HydrophobicContact CD2-CE 4.24Å; Y69-M149 HydrophobicContact CE1-CE 4.08Å; Y69-M149 HydrophobicContact CE1-SD 4.29Å; Y69-M149 HydrophobicContact CG-CE 3.79Å; Y69-M149 HydrophobicContact CG-SD 4.01Å; R72-M149 HydrophobicContact CB-CG 4.45Å; R72-M149 HydrophobicContact CB-SD 4.03Å; L94-M149 HydrophobicContact CD2-CE 3.91Å; L145-M149 HydrophobicContact CD1-CE 3.64Å; L145-M149 HydrophobicContact CD1-CG 4.26Å; L145-M149 HydrophobicContact CD1-SD 4.01Å; L145-M149 HydrophobicContact CD2-CE 4.38Å; L145-M149 HydrophobicContact CG-CE 3.67Å; L145-M149 WeakPolarHBondContact O-CB 3.46Å; L145-M149 WeakPolarHBondContact O-CG 3.42Å; L145-M149 PolarHBondContact O-N 3.18Å; L145-M149 VanDerWaalsContact O-N 3.14Å; L146-M149 PolarHBondContact O-N 2.8Å; E147-M149 PolarHBondContact O-N 2.57Å; E147-M149 VanDerWaalsContact O-N 3.1Å; M149-C151 PolarHBondContact O-N 3.24Å; M149-C151 VanDerWaalsContact O-N 3.1Å; M149-S152 VanDerWaalsContact O-CB 3.27Å; M149-S152 WeakPolarHBondContact O-CB 3.15Å; M149-S152 PolarHBondContact O-N 3.27Å; M149-L153 HydrophobicContact CE-CD2 3.86Å |
| 150 | D | 96.1 | Very high | 97 | Very high | 114 Ų | 114 | 54 Ų | 54 | 61% | 0.61 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 33.4 | -176.2 | -62.2 | -57.7 | 0 | 0 | 0 | 113.3 | L146 E147 S152 | L146-D150 PolarHBondContact O-N 2.94Å; E147-D150 PolarHBondContact O-N 3.34Å; D150-S152 PolarHBondContact O-N 3.25Å; D150-S152 VanDerWaalsContact O-N 3.1Å |
| 151 | C | 95.7 | Very high | 97 | Very high | 86 Ų | 86 | 49.2 Ų | 49.2 | 58% | 0.581 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 22.3 | -172.2 | -62.6 | 0 | 0 | 0 | 0 | 114.8 | L146 M149 L153 | L146-C151 PolarHBondContact O-N 3.33Å; M149-C151 PolarHBondContact O-N 3.24Å; M149-C151 VanDerWaalsContact O-N 3.1Å; C151-L153 PolarHBondContact O-N 3.3Å |
| 152 | S | 95.8 | Very high | 97 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 8% | 0.077 | 25% | 0.249 | C | C | . | . | trans | -80.1 | 67.7 | 175.1 | -80.8 | 0 | 0 | 0 | 0 | 112.2 | S9 E13 W14 R72 M149 D150 | S9-S152 WeakPolarHBondContact CB-OG 3.48Å; S9-S152 WeakPolarHBondContact OG-CB 3.44Å; S9-S152 PolarHBondContact OG-OG 3.02Å; E13-S152 VanDerWaalsContact OE2-CB 3.29Å; E13-S152 WeakPolarHBondContact OE2-CB 3.23Å; E13-S152 PolarHBondContact OE2-OG 3.45Å; W14-S152 VanDerWaalsContact NE1-CB 3.29Å; R72-S152 PolarHBondContact NH1-O 3.23Å; M149-S152 VanDerWaalsContact O-CB 3.27Å; M149-S152 WeakPolarHBondContact O-CB 3.15Å; M149-S152 PolarHBondContact O-N 3.27Å; D150-S152 PolarHBondContact O-N 3.25Å; D150-S152 VanDerWaalsContact O-N 3.1Å | ||
| 153 | L | 95.3 | Very high | 97.1 | Very high | 37 Ų | 37 | 49.7 Ų | 49.7 | 19% | 0.194 | 25% | 0.252 | C | S | . | . | trans | -81.2 | -17.2 | -169.6 | -58.6 | -177.1 | 0 | 0 | 0 | 114.8 | Y69 L94 V98 L146 M149 C151 V155 | Y69-L153 PolarHBondContact OH-O 3.5Å; L94-L153 HydrophobicContact CD1-CD1 4.39Å; L94-L153 HydrophobicContact CD2-CD2 3.95Å; V98-L153 HydrophobicContact CG1-CB 4.13Å; V98-L153 HydrophobicContact CG2-CB 4Å; V98-L153 HydrophobicContact CG2-CD1 3.69Å; V98-L153 HydrophobicContact CG2-CG 4.32Å; L146-L153 HydrophobicContact CD2-CD1 3.71Å; L146-L153 HydrophobicContact CD2-CD2 3.84Å; L146-L153 HydrophobicContact CD2-CG 4.21Å; M149-L153 HydrophobicContact CE-CD2 3.86Å; C151-L153 PolarHBondContact O-N 3.3Å; L153-V155 PolarHBondContact O-N 2.92Å | ||
| 154 | V | 94 | Very high | 97 | Very high | 75 Ų | 75 | 48.4 Ų | 48.4 | 46% | 0.455 | 25% | 0.248 | S | C | . | . | trans | -70 | 120.7 | -177.2 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | F156 | V154-F156 HydrophobicContact CG1-CD2 4.02Å; V154-F156 HydrophobicContact CG1-CE2 3.53Å; V154-F156 HydrophobicContact CG1-CZ 4.25Å | ||
| 155 | V | 95.6 | Very high | 97 | Very high | 17 Ų | 17 | 47 Ų | 47 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | trans | -114.6 | 129.7 | 173.9 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | T65 V68 Y69 L153 H157 | T65-V155 HydrophobicContact CG2-CB 4.37Å; T65-V155 HydrophobicContact CG2-CG2 4Å; V68-V155 HydrophobicContact CB-CG1 4.15Å; V68-V155 HydrophobicContact CB-CG2 4.36Å; V68-V155 HydrophobicContact CG1-CG1 4.02Å; V68-V155 HydrophobicContact CG1-CG2 3.93Å; V68-V155 HydrophobicContact CG2-CG1 4Å; Y69-V155 HydrophobicContact CD1-CG2 4.26Å; Y69-V155 HydrophobicContact CE1-CG2 3.64Å; L153-V155 PolarHBondContact O-N 2.92Å; V155-H157 VanDerWaalsContact CG1-CE1 3.41Å; V155-H157 WeakPolarHBondContact CG1-CE1 3.36Å | ||
| 156 | F | 96 | Very high | 96.9 | Very high | 58 Ų | 58 | 47.2 Ų | 47.2 | 25% | 0.254 | 24% | 0.241 | S | C | . | . | trans | -99.2 | 126.5 | 171.9 | -71.6 | -104.6 | 0 | 0 | 0 | 108 | R3 F5 S8 N10 V154 P202 | R3-F156 WeakPolarHBondContact O-CE1 3.21Å; R3-F156 VanDerWaalsContact O-CZ 3.26Å; R3-F156 WeakPolarHBondContact O-CZ 3.41Å; F5-F156 HydrophobicContact CB-CD1 4.18Å; F5-F156 HydrophobicContact CB-CE1 4.2Å; F5-F156 HydrophobicContact CB-CG 4.48Å; F5-F156 HydrophobicContact CD2-CB 3.95Å; F5-F156 HydrophobicContact CD2-CD1 4.32Å; F5-F156 AromaticContact CD2-CD2 3.89Å; F5-F156 HydrophobicContact CD2-CD2 3.89Å; F5-F156 HydrophobicContact CD2-CE2 4.48Å; F5-F156 AromaticContact CD2-CG 3.8Å; F5-F156 HydrophobicContact CD2-CG 3.8Å; F5-F156 HydrophobicContact CE2-CB 4.48Å; S8-F156 VanDerWaalsContact CB-CE2 3.41Å; S8-F156 WeakPolarHBondContact OG-CE2 3.29Å; N10-F156 HydrophobicContact CB-CD2 4.02Å; N10-F156 PolarHBondContact ND2-N 3.37Å; N10-F156 VanDerWaalsContact ND2-N 3.13Å; V154-F156 HydrophobicContact CG1-CD2 4.02Å; V154-F156 HydrophobicContact CG1-CE2 3.53Å; V154-F156 HydrophobicContact CG1-CZ 4.25Å; F156-P202 HydrophobicContact CB-CG 3.71Å; F156-P202 WeakPolarHBondContact O-CG 3.4Å | ||
| 157 | H | 97 | Very high | 96.8 | Very high | 18 Ų | 18 | 48.1 Ų | 48.1 | 8% | 0.083 | 25% | 0.246 | C | C | . | . | trans | -102 | 149.3 | -176.2 | -63.7 | -69.3 | 0 | 0 | 0 | 112.7 | T65 E99 V155 Y159 P161 F192 | T65-H157 PolarHBondContact N-CE1 3.14Å; T65-H157 PolarHBondContact OG1-CE1 3.27Å; T65-H157 PolarHBondContact OG1-NE2 3.08Å; E99-H157 IonicContact OE1-NE2 2.93Å; E99-H157 PolarHBondContact OE1-NE2 3.43Å; V155-H157 VanDerWaalsContact CG1-CE1 3.41Å; V155-H157 WeakPolarHBondContact CG1-CE1 3.36Å; H157-Y159 HydrophobicContact CB-CD2 3.61Å; H157-Y159 HydrophobicContact CB-CE2 4.16Å; H157-Y159 HydrophobicContact CB-CG 4.49Å; H157-Y159 PolarHBondContact O-N 3.17Å; H157-P161 WeakPolarHBondContact O-CD 2.86Å; H157-F192 AromaticContact ND1-CZ 3.66Å | ||
| 158 | P | 98.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.019 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -12.4 | 175.5 | 28.3 | -37.9 | 0 | 0 | 0 | 114.1 | R160 P161 L162 V188 F192 P202 I205 A206 | P158-R160 PolarHBondContact O-N 3.44Å; P158-P161 VanDerWaalsContact O-CD 3.31Å; P158-P161 WeakPolarHBondContact O-CD 3Å; P158-P161 VanDerWaalsContact O-CG 3.32Å; P158-P161 WeakPolarHBondContact O-CG 3.42Å; P158-L162 WeakPolarHBondContact O-CB 3.47Å; P158-L162 PolarHBondContact O-N 3.49Å; P158-V188 HydrophobicContact CB-CG1 4.08Å; P158-V188 HydrophobicContact CB-CG2 4.16Å; P158-V188 HydrophobicContact CG-CB 4.46Å; P158-V188 HydrophobicContact CG-CG1 3.38Å; P158-V188 HydrophobicContact CG-CG2 4.3Å; P158-F192 HydrophobicContact CG-CE2 4.26Å; P158-F192 HydrophobicContact CG-CZ 4.08Å; P158-P202 WeakPolarHBondContact CB-O 3.48Å; P158-I205 HydrophobicContact CB-CB 4.3Å; P158-I205 HydrophobicContact CB-CG2 4.2Å; P158-I205 HydrophobicContact CG-CG2 4.32Å; P158-A206 HydrophobicContact CB-CB 4.01Å |
| 159 | Y | 98.4 | Very high | 96.5 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 4% | 0.035 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.5 | -46.9 | -177.4 | -59.1 | -62.3 | 0 | 0 | 0 | 113.9 | Q60 A64 H157 L162 V163 W185 V188 N189 F192 | Q60-Y159 WeakPolarHBondContact CG-OH 3.5Å; Q60-Y159 PolarHBondContact NE2-OH 3.31Å; A64-Y159 HydrophobicContact CB-CE2 3.93Å; H157-Y159 HydrophobicContact CB-CD2 3.61Å; H157-Y159 HydrophobicContact CB-CE2 4.16Å; H157-Y159 HydrophobicContact CB-CG 4.49Å; H157-Y159 PolarHBondContact O-N 3.17Å; Y159-L162 PolarHBondContact O-N 3.41Å; Y159-V163 WeakPolarHBondContact O-CG2 3.41Å; Y159-V163 PolarHBondContact O-N 3.49Å; Y159-V163 VanDerWaalsContact O-N 3.1Å; Y159-W185 AromaticContact CD1-CD2 3.89Å; Y159-W185 HydrophobicContact CD1-CD2 3.89Å; Y159-W185 AromaticContact CD1-CE2 3.68Å; Y159-W185 AromaticContact CD1-CE3 3.91Å; Y159-W185 HydrophobicContact CD1-CE3 3.91Å; Y159-W185 AromaticContact CD1-CH2 3.53Å; Y159-W185 HydrophobicContact CD1-CH2 3.53Å; Y159-W185 AromaticContact CD1-CZ2 3.51Å; Y159-W185 HydrophobicContact CD1-CZ2 3.51Å; Y159-W185 AromaticContact CD1-CZ3 3.74Å; Y159-W185 HydrophobicContact CD1-CZ3 3.74Å; Y159-W185 HydrophobicContact CE1-CD2 4.22Å; Y159-W185 AromaticContact CE1-CE2 3.76Å; Y159-W185 HydrophobicContact CE1-CH2 4.31Å; Y159-W185 AromaticContact CE1-CZ2 3.81Å; Y159-W185 HydrophobicContact CE1-CZ2 3.81Å; Y159-W185 AromaticContact CG-CH2 3.8Å; Y159-W185 HydrophobicContact CG-CH2 3.8Å; Y159-W185 HydrophobicContact CG-CZ2 4.09Å; Y159-W185 HydrophobicContact CG-CZ3 4.15Å; Y159-V188 HydrophobicContact CD1-CG1 3.64Å; Y159-V188 HydrophobicContact CE1-CB 4.39Å; Y159-V188 HydrophobicContact CE1-CG1 3.36Å; Y159-V188 HydrophobicContact CG-CG1 4.47Å; Y159-N189 VanDerWaalsContact CE1-OD1 3.27Å; Y159-N189 WeakPolarHBondContact CE1-OD1 3.4Å; Y159-N189 PolarHBondContact OH-OD1 2.84Å; Y159-F192 HydrophobicContact CE2-CE2 4.14Å; Y159-F192 HydrophobicContact CE2-CZ 4.48Å; Y159-F192 AromaticContact CZ-CE2 3.91Å; Y159-F192 WeakPolarHBondContact OH-CE2 3.36Å |
| 160 | R | 96.6 | Very high | 96.4 | Very high | 166 Ų | 166 | 48.5 Ų | 48.5 | 63% | 0.626 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -62.2 | -54.9 | 178.6 | -78.3 | -140.6 | -179.1 | 177 | -2.8 | 112.7 | P158 L162 V163 Q164 L240 | P158-R160 PolarHBondContact O-N 3.44Å; R160-L162 VanDerWaalsContact C-N 3.26Å; R160-L162 PolarHBondContact O-N 3.39Å; R160-V163 PolarHBondContact O-N 3.41Å; R160-Q164 WeakPolarHBondContact O-CG 3.35Å; R160-Q164 PolarHBondContact O-N 3.12Å; R160-L240 HydrophobicContact CG-CD1 4.06Å; R160-L240 HydrophobicContact CG-CD2 3.77Å |
| 161 | P | 97.2 | Very high | 96.2 | Very high | 17 Ų | 17 | 48 Ų | 48 | 11% | 0.11 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.6 | -36 | 178.1 | 21.8 | -31 | 0 | 0 | 0 | 111.7 | H157 P158 V163 Q164 F165 A206 | H157-P161 WeakPolarHBondContact O-CD 2.86Å; P158-P161 VanDerWaalsContact O-CD 3.31Å; P158-P161 WeakPolarHBondContact O-CD 3Å; P158-P161 VanDerWaalsContact O-CG 3.32Å; P158-P161 WeakPolarHBondContact O-CG 3.42Å; P161-V163 PolarHBondContact O-N 2.9Å; P161-Q164 WeakPolarHBondContact O-CB 3.43Å; P161-Q164 PolarHBondContact O-N 3.03Å; P161-F165 HydrophobicContact CB-CE2 3.84Å; P161-F165 HydrophobicContact CB-CZ 4.02Å; P161-F165 WeakPolarHBondContact O-CD2 3.34Å; P161-F165 WeakPolarHBondContact O-CG 3.41Å; P161-F165 PolarHBondContact O-N 3.47Å; P161-A206 HydrophobicContact CB-CB 4.3Å; P161-A206 HydrophobicContact CG-CB 4.1Å |
| 162 | L | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.5 | -50.1 | 175.4 | 177.3 | 67.6 | 0 | 0 | 0 | 112.1 | P158 Y159 R160 Q164 F165 C166 L181 A184 W185 V188 A206 L210 | P158-L162 WeakPolarHBondContact O-CB 3.47Å; P158-L162 PolarHBondContact O-N 3.49Å; Y159-L162 PolarHBondContact O-N 3.41Å; R160-L162 VanDerWaalsContact C-N 3.26Å; R160-L162 PolarHBondContact O-N 3.39Å; L162-Q164 VanDerWaalsContact C-N 3.28Å; L162-Q164 PolarHBondContact O-N 3.24Å; L162-F165 PolarHBondContact O-N 3.11Å; L162-C166 PolarHBondContact O-N 2.65Å; L162-C166 PolarHBondContact O-SG 2.9Å; L162-C166 VanDerWaalsContact O-SG 3.39Å; L162-L181 HydrophobicContact CD2-CD1 4.42Å; L162-L181 HydrophobicContact CG-CD1 4.44Å; L162-A184 HydrophobicContact CD1-CB 3.55Å; L162-A184 HydrophobicContact CD2-CB 3.99Å; L162-A184 HydrophobicContact CG-CB 4.32Å; L162-W185 HydrophobicContact CD2-CB 4.29Å; L162-W185 HydrophobicContact CD2-CE3 4.38Å; L162-V188 HydrophobicContact CD2-CB 4.49Å; L162-V188 HydrophobicContact CD2-CG2 3.86Å; L162-A206 HydrophobicContact CB-CB 4.02Å; L162-L210 HydrophobicContact CD1-CB 4.18Å; L162-L210 HydrophobicContact CD1-CD1 4.38Å |
| 163 | V | 98.3 | Very high | 95.5 | Very high | 19 Ų | 19 | 47.6 Ų | 47.6 | 12% | 0.115 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.9 | -41.4 | 179.1 | 173.4 | 0 | 0 | 0 | 0 | 111 | Y159 R160 P161 C166 D167 L181 W185 I242 | Y159-V163 WeakPolarHBondContact O-CG2 3.41Å; Y159-V163 PolarHBondContact O-N 3.49Å; Y159-V163 VanDerWaalsContact O-N 3.1Å; R160-V163 PolarHBondContact O-N 3.41Å; P161-V163 PolarHBondContact O-N 2.9Å; V163-C166 PolarHBondContact O-N 3.11Å; V163-D167 WeakPolarHBondContact O-CB 3.35Å; V163-D167 PolarHBondContact O-N 3.28Å; V163-L181 HydrophobicContact CG2-CD1 4.15Å; V163-W185 HydrophobicContact CG2-CZ3 4.12Å; V163-I242 HydrophobicContact CG1-CD1 3.87Å |
| 164 | Q | 97.4 | Very high | 95.2 | Very high | 115 Ų | 115 | 53 Ų | 53 | 54% | 0.537 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 177.3 | -66.6 | 176.8 | -53.4 | 0 | 0 | 111.8 | R160 P161 L162 D167 E168 | R160-Q164 WeakPolarHBondContact O-CG 3.35Å; R160-Q164 PolarHBondContact O-N 3.12Å; P161-Q164 WeakPolarHBondContact O-CB 3.43Å; P161-Q164 PolarHBondContact O-N 3.03Å; L162-Q164 VanDerWaalsContact C-N 3.28Å; L162-Q164 PolarHBondContact O-N 3.24Å; Q164-D167 PolarHBondContact O-N 2.85Å; Q164-E168 PolarHBondContact O-N 2.92Å |
| 165 | F | 97.4 | Very high | 94.8 | Very high | 28 Ų | 28 | 54.4 Ų | 54.4 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.4 | -42 | 177.6 | -58.2 | -33.3 | 0 | 0 | 0 | 112.5 | P161 L162 D167 E168 L169 A206 L207 L210 W267 | P161-F165 HydrophobicContact CB-CE2 3.84Å; P161-F165 HydrophobicContact CB-CZ 4.02Å; P161-F165 WeakPolarHBondContact O-CD2 3.34Å; P161-F165 WeakPolarHBondContact O-CG 3.41Å; P161-F165 PolarHBondContact O-N 3.47Å; L162-F165 PolarHBondContact O-N 3.11Å; F165-D167 VanDerWaalsContact C-N 3.3Å; F165-D167 PolarHBondContact O-N 2.96Å; F165-E168 PolarHBondContact O-N 3.32Å; F165-L169 PolarHBondContact O-N 2.98Å; F165-L169 VanDerWaalsContact O-N 3.11Å; F165-A206 HydrophobicContact CD2-CB 4.21Å; F165-A206 HydrophobicContact CE2-CB 3.98Å; F165-L207 HydrophobicContact CD1-CD2 4.49Å; F165-L207 HydrophobicContact CD2-CD2 3.73Å; F165-L207 HydrophobicContact CD2-CG 4.08Å; F165-L207 HydrophobicContact CE1-CD2 4.47Å; F165-L207 HydrophobicContact CE2-CD1 4.41Å; F165-L207 HydrophobicContact CE2-CD2 3.69Å; F165-L207 HydrophobicContact CE2-CG 3.6Å; F165-L207 HydrophobicContact CG-CD2 4.15Å; F165-L207 HydrophobicContact CZ-CD1 4.41Å; F165-L207 HydrophobicContact CZ-CD2 4.08Å; F165-L207 HydrophobicContact CZ-CG 4.05Å; F165-L210 HydrophobicContact CB-CD2 3.68Å; F165-L210 HydrophobicContact CG-CD2 4.48Å; F165-W267 HydrophobicContact CB-CH2 3.66Å; F165-W267 HydrophobicContact CB-CZ2 4.09Å; F165-W267 AromaticContact CD1-CH2 3.89Å; F165-W267 HydrophobicContact CD1-CH2 3.89Å; F165-W267 HydrophobicContact CD1-CZ2 4.09Å; F165-W267 AromaticContact CG-CH2 3.84Å; F165-W267 HydrophobicContact CG-CH2 3.84Å; F165-W267 HydrophobicContact CG-CZ2 4.37Å |
| 166 | C | 96.8 | Very high | 94.4 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 3% | 0.027 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.8 | -37.4 | 175.1 | -70.5 | 0 | 0 | 0 | 0 | 112 | L162 V163 L169 R170 L181 | L162-C166 PolarHBondContact O-N 2.65Å; L162-C166 PolarHBondContact O-SG 2.9Å; L162-C166 VanDerWaalsContact O-SG 3.39Å; V163-C166 PolarHBondContact O-N 3.11Å; C166-L169 PolarHBondContact O-N 2.72Å; C166-R170 WeakPolarHBondContact O-CB 3.45Å; C166-R170 PolarHBondContact O-N 2.89Å; C166-L181 HydrophobicContact CB-CB 4.37Å; C166-L181 HydrophobicContact CB-CD1 4.13Å |
| 167 | D | 96.6 | Very high | 94.2 | Very high | 53 Ų | 53 | 53.3 Ų | 53.3 | 28% | 0.283 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -69.5 | -31.2 | 176.7 | -76.6 | -22.7 | 0 | 0 | 0 | 112.8 | V163 Q164 F165 R170 P171 | V163-D167 WeakPolarHBondContact O-CB 3.35Å; V163-D167 PolarHBondContact O-N 3.28Å; Q164-D167 PolarHBondContact O-N 2.85Å; F165-D167 VanDerWaalsContact C-N 3.3Å; F165-D167 PolarHBondContact O-N 2.96Å; D167-R170 IonicContact OD1-CZ 3.64Å; D167-R170 IonicContact OD1-NE 3.58Å; D167-R170 PolarHBondContact OD1-NE 2.74Å; D167-R170 IonicContact OD1-NH2 3.37Å; D167-R170 PolarHBondContact OD1-NH2 2.9Å; D167-P171 WeakPolarHBondContact O-CD 3.19Å |
| 168 | E | 95.5 | Very high | 94 | Very high | 102 Ų | 102 | 57.9 Ų | 57.9 | 48% | 0.477 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.2 | -35.5 | 171.9 | -72 | 177 | -160.2 | 0 | 0 | 112.8 | Q164 F165 P171 W267 | Q164-E168 PolarHBondContact O-N 2.92Å; F165-E168 PolarHBondContact O-N 3.32Å; E168-P171 WeakPolarHBondContact O-CD 3.25Å; E168-W267 HydrophobicContact CB-CZ2 4.36Å; E168-W267 WeakPolarHBondContact OE2-CZ2 3.34Å; E168-W267 PolarHBondContact OE2-NE1 3.48Å |
| 169 | L | 94.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -79.1 | -26 | 176.7 | -74.8 | 170.1 | 0 | 0 | 0 | 113.2 | F165 C166 P171 Q172 M173 L180 L210 W267 | F165-L169 PolarHBondContact O-N 2.98Å; F165-L169 VanDerWaalsContact O-N 3.11Å; C166-L169 PolarHBondContact O-N 2.72Å; L169-P171 VanDerWaalsContact C-CD 3.42Å; L169-Q172 PolarHBondContact O-N 3.04Å; L169-M173 HydrophobicContact CB-SD 4.4Å; L169-M173 HydrophobicContact CD2-SD 4.27Å; L169-M173 PolarHBondContact O-N 3.26Å; L169-L180 HydrophobicContact CD1-CD2 4.1Å; L169-L210 HydrophobicContact CD1-CD1 4.2Å; L169-L210 HydrophobicContact CD1-CD2 3.88Å; L169-L210 HydrophobicContact CD1-CG 4.34Å; L169-W267 HydrophobicContact CD1-CD2 4.31Å; L169-W267 HydrophobicContact CD1-CE3 4.09Å; L169-W267 HydrophobicContact CD1-CZ3 4.29Å; L169-W267 HydrophobicContact CD2-CB 3.64Å; L169-W267 HydrophobicContact CD2-CD2 3.66Å; L169-W267 HydrophobicContact CD2-CE3 4.09Å; L169-W267 HydrophobicContact CD2-CG 3.45Å; L169-W267 VanDerWaalsContact CD2-CG 3.45Å; L169-W267 HydrophobicContact CG-CD2 3.92Å; L169-W267 HydrophobicContact CG-CE3 4.22Å; L169-W267 HydrophobicContact CG-CG 4.18Å |
| 170 | R | 94 | Very high | 93.5 | Very high | 85 Ų | 85 | 59.3 Ų | 59.3 | 32% | 0.321 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -42.3 | -175.4 | -178.2 | -174 | -68.8 | -97 | -0.3 | 114.2 | C166 D167 Q172 M173 H174 A177 D178 | C166-R170 WeakPolarHBondContact O-CB 3.45Å; C166-R170 PolarHBondContact O-N 2.89Å; D167-R170 IonicContact OD1-CZ 3.64Å; D167-R170 IonicContact OD1-NE 3.58Å; D167-R170 PolarHBondContact OD1-NE 2.74Å; D167-R170 IonicContact OD1-NH2 3.37Å; D167-R170 PolarHBondContact OD1-NH2 2.9Å; R170-Q172 VanDerWaalsContact C-N 3.33Å; R170-Q172 PolarHBondContact O-N 3.37Å; R170-M173 CarbonylContact O-C 3.26Å; R170-M173 PolarHBondContact O-N 2.78Å; R170-H174 VanDerWaalsContact O-CA 3.24Å; R170-H174 WeakPolarHBondContact O-CA 3.33Å; R170-H174 PolarHBondContact O-N 3.48Å; R170-A177 HydrophobicContact CB-CB 4.23Å; R170-A177 HydrophobicContact CG-CB 3.84Å; R170-D178 IonicContact NH1-OD1 3.75Å; R170-D178 PolarHBondContact NH1-OD1 3.21Å |
| 171 | P | 91.9 | Very high | 93.6 | Very high | 105 Ų | 105 | 52.2 Ų | 52.2 | 68% | 0.682 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -32.6 | 178.9 | -22.5 | 34.8 | 0 | 0 | 0 | 114.1 | D167 E168 L169 | D167-P171 WeakPolarHBondContact O-CD 3.19Å; E168-P171 WeakPolarHBondContact O-CD 3.25Å; L169-P171 VanDerWaalsContact C-CD 3.42Å |
| 172 | Q | 89.4 | Confident | 93.5 | Very high | 84 Ų | 84 | 54.4 Ų | 54.4 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -24.1 | -178.3 | -58.1 | -178.7 | 55 | 0 | 0 | 111.9 | L169 R170 V263 | L169-Q172 PolarHBondContact O-N 3.04Å; R170-Q172 VanDerWaalsContact C-N 3.33Å; R170-Q172 PolarHBondContact O-N 3.37Å; Q172-V263 HydrophobicContact CB-CG1 3.49Å; Q172-V263 VanDerWaalsContact CB-CG1 3.49Å; Q172-V263 HydrophobicContact CG-CG1 4.4Å |
| 173 | M | 87.8 | Confident | 93.4 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.015 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -120.7 | 38.1 | -176.9 | -59.3 | -174.5 | 61.9 | 0 | 0 | 112.3 | L169 R170 E175 Y176 A177 L180 P260 V263 | L169-M173 HydrophobicContact CB-SD 4.4Å; L169-M173 HydrophobicContact CD2-SD 4.27Å; L169-M173 PolarHBondContact O-N 3.26Å; R170-M173 CarbonylContact O-C 3.26Å; R170-M173 PolarHBondContact O-N 2.78Å; M173-E175 VanDerWaalsContact C-N 3.27Å; M173-E175 PolarHBondContact O-N 3.35Å; M173-E175 VanDerWaalsContact O-N 3.15Å; M173-Y176 CarbonylContact O-C 3.5Å; M173-Y176 PolarHBondContact O-N 2.95Å; M173-A177 PolarHBondContact O-N 3.45Å; M173-L180 HydrophobicContact CE-CD2 4.15Å; M173-L180 HydrophobicContact SD-CD2 4.17Å; M173-P260 HydrophobicContact CE-CB 3.37Å; M173-V263 HydrophobicContact CG-CB 4.19Å; M173-V263 HydrophobicContact CG-CG1 3.68Å; M173-V263 HydrophobicContact SD-CB 4.46Å; M173-V263 HydrophobicContact SD-CG1 4.14Å |
| 174 | H | 87.4 | Confident | 93.4 | Very high | 150 Ų | 150 | 58.9 Ų | 58.9 | 69% | 0.694 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -52.2 | -42.5 | -171.4 | 179.7 | -86.9 | 0 | 0 | 0 | 113.4 | R170 Y176 | R170-H174 VanDerWaalsContact O-CA 3.24Å; R170-H174 WeakPolarHBondContact O-CA 3.33Å; R170-H174 PolarHBondContact O-N 3.48Å; H174-Y176 VanDerWaalsContact C-N 3.27Å; H174-Y176 PolarHBondContact O-N 3.03Å |
| 175 | E | 87 | Confident | 93.4 | Very high | 105 Ų | 105 | 54.5 Ų | 54.5 | 49% | 0.491 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -68.3 | -23.5 | 179.7 | -63.5 | -170.4 | 160.9 | 0 | 0 | 113.9 | M173 S256 | M173-E175 VanDerWaalsContact C-N 3.27Å; M173-E175 PolarHBondContact O-N 3.35Å; M173-E175 VanDerWaalsContact O-N 3.15Å; E175-S256 WeakPolarHBondContact OE1-CB 3.45Å; E175-S256 VanDerWaalsContact OE2-CB 3.26Å; E175-S256 WeakPolarHBondContact OE2-CB 3.39Å; E175-S256 PolarHBondContact OE2-OG 3.46Å |
| 176 | Y | 87.9 | Confident | 93.5 | Very high | 46 Ų | 46 | 57.3 Ų | 57.3 | 18% | 0.18 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -107.6 | -4.7 | -177.7 | -59.3 | -75.4 | 0 | 0 | 0 | 113.3 | M173 H174 D178 V179 L180 I217 L224 P260 | M173-Y176 CarbonylContact O-C 3.5Å; M173-Y176 PolarHBondContact O-N 2.95Å; H174-Y176 VanDerWaalsContact C-N 3.27Å; H174-Y176 PolarHBondContact O-N 3.03Å; Y176-D178 PolarHBondContact O-N 2.98Å; Y176-V179 PolarHBondContact O-N 2.81Å; Y176-L180 VanDerWaalsContact O-CB 3.25Å; Y176-L180 WeakPolarHBondContact O-CB 3.32Å; Y176-L180 PolarHBondContact O-N 3.24Å; Y176-I217 HydrophobicContact CD1-CG2 3.79Å; Y176-I217 HydrophobicContact CE1-CG2 4.29Å; Y176-I217 HydrophobicContact CG-CG2 4.37Å; Y176-L224 HydrophobicContact CD1-CD1 4.26Å; Y176-L224 HydrophobicContact CE1-CD1 4.46Å; Y176-P260 HydrophobicContact CD2-CB 4.2Å; Y176-P260 HydrophobicContact CE2-CB 4.36Å; Y176-P260 HydrophobicContact CE2-CG 4.28Å |
| 177 | A | 90.3 | Very high | 93.6 | Very high | 7 Ų | 7 | 57.6 Ų | 57.6 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.4 | -46.3 | -165.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | R170 M173 L180 L181 | R170-A177 HydrophobicContact CB-CB 4.23Å; R170-A177 HydrophobicContact CG-CB 3.84Å; M173-A177 PolarHBondContact O-N 3.45Å; A177-L180 PolarHBondContact O-N 3.04Å; A177-L181 PolarHBondContact O-N 3.44Å |
| 178 | D | 92.7 | Very high | 93.7 | Very high | 113 Ų | 113 | 55 Ų | 55 | 60% | 0.604 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -71.4 | -40.2 | -177.7 | -65.2 | -26.2 | 0 | 0 | 0 | 111.4 | R170 Y176 L180 L181 E182 | R170-D178 IonicContact NH1-OD1 3.75Å; R170-D178 PolarHBondContact NH1-OD1 3.21Å; Y176-D178 PolarHBondContact O-N 2.98Å; D178-L180 VanDerWaalsContact C-N 3.35Å; D178-L181 PolarHBondContact O-N 3.31Å; D178-E182 WeakPolarHBondContact O-CB 3.47Å; D178-E182 PolarHBondContact O-N 3.33Å |
| 179 | V | 92.7 | Very high | 93.8 | Very high | 40 Ų | 40 | 50.7 Ų | 50.7 | 24% | 0.242 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.5 | -40.8 | 174.8 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | Y176 E182 R183 I217 L224 | Y176-V179 PolarHBondContact O-N 2.81Å; V179-E182 PolarHBondContact O-N 2.9Å; V179-R183 HydrophobicContact CG1-CG 4.09Å; V179-R183 WeakPolarHBondContact O-CB 3.33Å; V179-R183 WeakPolarHBondContact O-CG 3.26Å; V179-R183 PolarHBondContact O-N 3.49Å; V179-I217 HydrophobicContact CG1-CD1 4.02Å; V179-I217 HydrophobicContact CG1-CG1 4.21Å; V179-L224 HydrophobicContact CG1-CD1 3.92Å; V179-L224 HydrophobicContact CG1-CD2 3.74Å; V179-L224 HydrophobicContact CG1-CG 4.46Å |
| 180 | L | 95 | Very high | 94 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -49.2 | 177.4 | 178.3 | 62.7 | 0 | 0 | 0 | 111.2 | L169 M173 Y176 A177 D178 R183 A184 L210 A213 V214 I217 | L169-L180 HydrophobicContact CD1-CD2 4.1Å; M173-L180 HydrophobicContact CE-CD2 4.15Å; M173-L180 HydrophobicContact SD-CD2 4.17Å; Y176-L180 VanDerWaalsContact O-CB 3.25Å; Y176-L180 WeakPolarHBondContact O-CB 3.32Å; Y176-L180 PolarHBondContact O-N 3.24Å; A177-L180 PolarHBondContact O-N 3.04Å; D178-L180 VanDerWaalsContact C-N 3.35Å; L180-R183 PolarHBondContact O-N 2.87Å; L180-A184 VanDerWaalsContact O-CB 3.23Å; L180-A184 WeakPolarHBondContact O-CB 3.49Å; L180-A184 PolarHBondContact O-N 3.07Å; L180-L210 HydrophobicContact CD1-CD1 3.88Å; L180-L210 HydrophobicContact CD2-CD1 4.03Å; L180-L210 HydrophobicContact CG-CD1 3.96Å; L180-A213 HydrophobicContact CD1-CB 3.84Å; L180-V214 HydrophobicContact CD1-CG2 3.69Å; L180-I217 VanDerWaalsContact CA-CD1 3.49Å; L180-I217 HydrophobicContact CB-CD1 3.91Å; L180-I217 HydrophobicContact CD1-CD1 3.92Å |
| 181 | L | 97 | Very high | 94.2 | Very high | 17 Ų | 17 | 47.7 Ų | 47.7 | 9% | 0.089 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.4 | -46.2 | 177.4 | 176.8 | 59.3 | 0 | 0 | 0 | 111.2 | L162 V163 C166 A177 D178 A184 W185 M236 | L162-L181 HydrophobicContact CD2-CD1 4.42Å; L162-L181 HydrophobicContact CG-CD1 4.44Å; V163-L181 HydrophobicContact CG2-CD1 4.15Å; C166-L181 HydrophobicContact CB-CB 4.37Å; C166-L181 HydrophobicContact CB-CD1 4.13Å; A177-L181 PolarHBondContact O-N 3.44Å; D178-L181 PolarHBondContact O-N 3.31Å; L181-A184 PolarHBondContact O-N 3.32Å; L181-W185 WeakPolarHBondContact O-CB 3.49Å; L181-W185 PolarHBondContact O-N 3.4Å; L181-M236 HydrophobicContact CD2-CE 4.27Å |
| 182 | E | 96.9 | Very high | 94.5 | Very high | 64 Ų | 64 | 42.9 Ų | 42.9 | 30% | 0.299 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -58.8 | -50.8 | 178 | -176.1 | -178.1 | 172.9 | 0 | 0 | 111.3 | D178 V179 W185 W186 | D178-E182 WeakPolarHBondContact O-CB 3.47Å; D178-E182 PolarHBondContact O-N 3.33Å; V179-E182 PolarHBondContact O-N 2.9Å; E182-W185 WeakPolarHBondContact O-CB 2.99Å; E182-W185 PolarHBondContact O-N 3.26Å; E182-W186 PolarHBondContact O-N 3.04Å; E182-W186 VanDerWaalsContact O-N 3.08Å |
| 183 | R | 95.1 | Very high | 95 | Very high | 112 Ų | 112 | 39.9 Ų | 39.9 | 42% | 0.423 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.3 | -45.3 | -179.3 | -67.7 | -64.9 | 177.5 | -169.3 | -2.1 | 112 | V179 L180 W185 W186 L187 A213 I217 | V179-R183 HydrophobicContact CG1-CG 4.09Å; V179-R183 WeakPolarHBondContact O-CB 3.33Å; V179-R183 WeakPolarHBondContact O-CG 3.26Å; V179-R183 PolarHBondContact O-N 3.49Å; L180-R183 PolarHBondContact O-N 2.87Å; R183-W185 VanDerWaalsContact C-N 3.29Å; R183-W185 PolarHBondContact O-N 2.71Å; R183-W186 PolarHBondContact O-N 3.4Å; R183-L187 WeakPolarHBondContact O-CG 3.39Å; R183-L187 PolarHBondContact O-N 3.41Å; R183-L187 VanDerWaalsContact O-N 3.08Å; R183-A213 HydrophobicContact CB-CB 4.08Å; R183-I217 HydrophobicContact CG-CD1 4.45Å; R183-I217 HydrophobicContact CG-CG1 4.5Å |
| 184 | A | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.3 | -33.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | L162 L180 L181 L187 V188 L210 A213 | L162-A184 HydrophobicContact CD1-CB 3.55Å; L162-A184 HydrophobicContact CD2-CB 3.99Å; L162-A184 HydrophobicContact CG-CB 4.32Å; L180-A184 VanDerWaalsContact O-CB 3.23Å; L180-A184 WeakPolarHBondContact O-CB 3.49Å; L180-A184 PolarHBondContact O-N 3.07Å; L181-A184 PolarHBondContact O-N 3.32Å; A184-L187 PolarHBondContact O-N 2.94Å; A184-V188 WeakPolarHBondContact O-CG2 3.08Å; A184-V188 PolarHBondContact O-N 3.36Å; A184-L210 HydrophobicContact CB-CD1 4.37Å; A184-A213 HydrophobicContact CB-CB 3.76Å |
| 185 | W | 98.4 | Very high | 95.9 | Very high | 24 Ų | 24 | 33.7 Ų | 33.7 | 9% | 0.091 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 175 | -172.4 | -80.6 | 0 | 0 | 0 | 112 | Y159 L162 V163 L181 E182 R183 V188 N189 S238 | Y159-W185 AromaticContact CD1-CD2 3.89Å; Y159-W185 HydrophobicContact CD1-CD2 3.89Å; Y159-W185 AromaticContact CD1-CE2 3.68Å; Y159-W185 AromaticContact CD1-CE3 3.91Å; Y159-W185 HydrophobicContact CD1-CE3 3.91Å; Y159-W185 AromaticContact CD1-CH2 3.53Å; Y159-W185 HydrophobicContact CD1-CH2 3.53Å; Y159-W185 AromaticContact CD1-CZ2 3.51Å; Y159-W185 HydrophobicContact CD1-CZ2 3.51Å; Y159-W185 AromaticContact CD1-CZ3 3.74Å; Y159-W185 HydrophobicContact CD1-CZ3 3.74Å; Y159-W185 HydrophobicContact CE1-CD2 4.22Å; Y159-W185 AromaticContact CE1-CE2 3.76Å; Y159-W185 HydrophobicContact CE1-CH2 4.31Å; Y159-W185 AromaticContact CE1-CZ2 3.81Å; Y159-W185 HydrophobicContact CE1-CZ2 3.81Å; Y159-W185 AromaticContact CG-CH2 3.8Å; Y159-W185 HydrophobicContact CG-CH2 3.8Å; Y159-W185 HydrophobicContact CG-CZ2 4.09Å; Y159-W185 HydrophobicContact CG-CZ3 4.15Å; L162-W185 HydrophobicContact CD2-CB 4.29Å; L162-W185 HydrophobicContact CD2-CE3 4.38Å; V163-W185 HydrophobicContact CG2-CZ3 4.12Å; L181-W185 WeakPolarHBondContact O-CB 3.49Å; L181-W185 PolarHBondContact O-N 3.4Å; E182-W185 WeakPolarHBondContact O-CB 2.99Å; E182-W185 PolarHBondContact O-N 3.26Å; R183-W185 VanDerWaalsContact C-N 3.29Å; R183-W185 PolarHBondContact O-N 2.71Å; W185-V188 WeakPolarHBondContact O-CB 3.39Å; W185-V188 PolarHBondContact O-N 3.01Å; W185-N189 PolarHBondContact O-N 3.16Å; W185-N189 PolarHBondContact O-ND2 3.22Å; W185-S238 WeakPolarHBondContact CH2-OG 3.44Å; W185-S238 WeakPolarHBondContact CZ2-OG 3.47Å |
| 186 | W | 98.2 | Very high | 96.4 | Very high | 86 Ų | 86 | 28.7 Ų | 28.7 | 33% | 0.326 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -60.6 | -46.8 | 173.1 | -76.9 | 114.6 | 0 | 0 | 0 | 112.2 | E182 R183 V188 N189 D190 F235 | E182-W186 PolarHBondContact O-N 3.04Å; E182-W186 VanDerWaalsContact O-N 3.08Å; R183-W186 PolarHBondContact O-N 3.4Å; W186-V188 VanDerWaalsContact C-N 3.27Å; W186-V188 PolarHBondContact O-N 2.96Å; W186-N189 WeakPolarHBondContact O-CB 3.47Å; W186-N189 PolarHBondContact O-N 3.25Å; W186-D190 PolarHBondContact O-N 2.84Å; W186-F235 HydrophobicContact CH2-CB 4.26Å; W186-F235 AromaticContact CH2-CD1 3.5Å; W186-F235 HydrophobicContact CH2-CD1 3.5Å; W186-F235 VanDerWaalsContact CH2-CD1 3.5Å; W186-F235 AromaticContact CH2-CD2 3.63Å; W186-F235 HydrophobicContact CH2-CD2 3.63Å; W186-F235 AromaticContact CH2-CE1 3.62Å; W186-F235 HydrophobicContact CH2-CE1 3.62Å; W186-F235 AromaticContact CH2-CE2 3.72Å; W186-F235 HydrophobicContact CH2-CE2 3.72Å; W186-F235 AromaticContact CH2-CG 3.5Å; W186-F235 HydrophobicContact CH2-CG 3.5Å; W186-F235 VanDerWaalsContact CH2-CG 3.5Å; W186-F235 AromaticContact CH2-CZ 3.72Å; W186-F235 HydrophobicContact CH2-CZ 3.72Å; W186-F235 HydrophobicContact CZ2-CB 4Å; W186-F235 HydrophobicContact CZ2-CD1 4.03Å; W186-F235 AromaticContact CZ2-CD2 3.36Å; W186-F235 HydrophobicContact CZ2-CD2 3.36Å; W186-F235 HydrophobicContact CZ2-CE1 4.37Å; W186-F235 AromaticContact CZ2-CE2 3.74Å; W186-F235 HydrophobicContact CZ2-CE2 3.74Å; W186-F235 AromaticContact CZ2-CG 3.51Å; W186-F235 HydrophobicContact CZ2-CG 3.51Å; W186-F235 HydrophobicContact CZ2-CZ 4.23Å; W186-F235 HydrophobicContact CZ3-CD1 4.41Å |
| 187 | L | 98.6 | Very high | 96.9 | Very high | 10 Ų | 10 | 27.1 Ų | 27.1 | 5% | 0.052 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.1 | -36.3 | 176.2 | -68.1 | 174.4 | 0 | 0 | 0 | 112.3 | R183 A184 D190 S191 C209 L212 A213 I216 L285 Y289 | R183-L187 WeakPolarHBondContact O-CG 3.39Å; R183-L187 PolarHBondContact O-N 3.41Å; R183-L187 VanDerWaalsContact O-N 3.08Å; A184-L187 PolarHBondContact O-N 2.94Å; L187-D190 PolarHBondContact O-N 3.19Å; L187-S191 PolarHBondContact O-N 3.39Å; L187-C209 HydrophobicContact CB-CB 3.84Å; L187-C209 WeakPolarHBondContact CD1-O 3.36Å; L187-L212 HydrophobicContact CD1-CB 3.89Å; L187-L212 HydrophobicContact CD1-CD2 4.14Å; L187-L212 HydrophobicContact CD1-CG 3.92Å; L187-L212 HydrophobicContact CD2-CD2 3.89Å; L187-L212 HydrophobicContact CD2-CG 4.41Å; L187-A213 HydrophobicContact CD1-CB 3.88Å; L187-I216 HydrophobicContact CD1-CD1 4.24Å; L187-I216 HydrophobicContact CD2-CD1 4.42Å; L187-L285 HydrophobicContact CB-CD1 4.43Å; L187-Y289 HydrophobicContact CD2-CE2 4.15Å; L187-Y289 WeakPolarHBondContact CD2-OH 3.4Å |
| 188 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.9 | -43.6 | 172.5 | 159.6 | 0 | 0 | 0 | 0 | 111.2 | P158 Y159 L162 A184 W185 W186 D190 S191 F192 C209 | P158-V188 HydrophobicContact CB-CG1 4.08Å; P158-V188 HydrophobicContact CB-CG2 4.16Å; P158-V188 HydrophobicContact CG-CB 4.46Å; P158-V188 HydrophobicContact CG-CG1 3.38Å; P158-V188 HydrophobicContact CG-CG2 4.3Å; Y159-V188 HydrophobicContact CD1-CG1 3.64Å; Y159-V188 HydrophobicContact CE1-CB 4.39Å; Y159-V188 HydrophobicContact CE1-CG1 3.36Å; Y159-V188 HydrophobicContact CG-CG1 4.47Å; L162-V188 HydrophobicContact CD2-CB 4.49Å; L162-V188 HydrophobicContact CD2-CG2 3.86Å; A184-V188 WeakPolarHBondContact O-CG2 3.08Å; A184-V188 PolarHBondContact O-N 3.36Å; W185-V188 WeakPolarHBondContact O-CB 3.39Å; W185-V188 PolarHBondContact O-N 3.01Å; W186-V188 VanDerWaalsContact C-N 3.27Å; W186-V188 PolarHBondContact O-N 2.96Å; V188-D190 VanDerWaalsContact C-N 3.28Å; V188-D190 PolarHBondContact O-N 3.1Å; V188-S191 WeakPolarHBondContact O-CB 3.34Å; V188-S191 PolarHBondContact O-N 3.34Å; V188-S191 VanDerWaalsContact O-N 3.16Å; V188-S191 PolarHBondContact O-OG 2.94Å; V188-F192 HydrophobicContact CG1-CE2 4.26Å; V188-F192 WeakPolarHBondContact O-CD2 3.37Å; V188-C209 HydrophobicContact CG2-CB 3.71Å |
| 189 | N | 98.6 | Very high | 97.5 | Very high | 11 Ų | 11 | 23 Ų | 23 | 6% | 0.059 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.7 | -40.8 | 175.8 | -67.7 | -29.9 | 0 | 0 | 0 | 111.4 | Q60 Y159 W185 W186 S191 F192 | Q60-N189 PolarHBondContact NE2-OD1 3.36Å; Y159-N189 VanDerWaalsContact CE1-OD1 3.27Å; Y159-N189 WeakPolarHBondContact CE1-OD1 3.4Å; Y159-N189 PolarHBondContact OH-OD1 2.84Å; W185-N189 PolarHBondContact O-N 3.16Å; W185-N189 PolarHBondContact O-ND2 3.22Å; W186-N189 WeakPolarHBondContact O-CB 3.47Å; W186-N189 PolarHBondContact O-N 3.25Å; N189-S191 VanDerWaalsContact C-N 3.31Å; N189-S191 PolarHBondContact O-N 3.01Å; N189-F192 PolarHBondContact O-N 3.25Å |
| 190 | D | 98.4 | Very high | 97.7 | Very high | 22 Ų | 22 | 22.4 Ų | 22.4 | 12% | 0.118 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.9 | -28.4 | 176.3 | -73.3 | -15.2 | 0 | 0 | 0 | 113 | W186 L187 V188 F192 R193 L285 L288 Y289 | W186-D190 PolarHBondContact O-N 2.84Å; L187-D190 PolarHBondContact O-N 3.19Å; V188-D190 VanDerWaalsContact C-N 3.28Å; V188-D190 PolarHBondContact O-N 3.1Å; D190-F192 PolarHBondContact O-N 2.99Å; D190-F192 VanDerWaalsContact O-N 3.14Å; D190-R193 VanDerWaalsContact O-CB 3.25Å; D190-R193 WeakPolarHBondContact O-CB 3.38Å; D190-R193 PolarHBondContact O-N 3.14Å; D190-R193 IonicContact OD1-CZ 3.19Å; D190-R193 IonicContact OD1-NH1 3.87Å; D190-R193 PolarHBondContact OD1-NH1 2.62Å; D190-L285 HydrophobicContact CB-CD2 4.26Å; D190-L288 HydrophobicContact CB-CD2 4.26Å; D190-L288 WeakPolarHBondContact O-CD2 3.28Å; D190-Y289 WeakPolarHBondContact OD2-CE1 3.44Å; D190-Y289 PolarHBondContact OD2-OH 3.29Å |
| 191 | S | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.007 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -57.6 | -31.3 | 176.9 | 80.4 | 0 | 0 | 0 | 0 | 112.4 | L187 V188 N189 R193 T194 | L187-S191 PolarHBondContact O-N 3.39Å; V188-S191 WeakPolarHBondContact O-CB 3.34Å; V188-S191 PolarHBondContact O-N 3.34Å; V188-S191 VanDerWaalsContact O-N 3.16Å; V188-S191 PolarHBondContact O-OG 2.94Å; N189-S191 VanDerWaalsContact C-N 3.31Å; N189-S191 PolarHBondContact O-N 3.01Å; S191-R193 PolarHBondContact O-N 3.4Å; S191-T194 PolarHBondContact O-N 3.16Å; S191-T194 PolarHBondContact O-OG1 3.41Å |
| 192 | F | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.018 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -9.4 | 175.9 | -67.2 | -73.8 | 0 | 0 | 0 | 114.3 | A64 L67 V68 K71 H157 P158 Y159 V188 N189 D190 T194 C197 | A64-F192 HydrophobicContact CB-CD2 4.21Å; A64-F192 HydrophobicContact CB-CE1 4.17Å; A64-F192 HydrophobicContact CB-CE2 3.72Å; A64-F192 HydrophobicContact CB-CZ 3.69Å; L67-F192 HydrophobicContact CB-CB 4.42Å; L67-F192 HydrophobicContact CD1-CB 3.81Å; V68-F192 HydrophobicContact CG2-CD1 3.93Å; V68-F192 HydrophobicContact CG2-CE1 3.68Å; K71-F192 WeakPolarHBondContact CE-O 3.33Å; H157-F192 AromaticContact ND1-CZ 3.66Å; P158-F192 HydrophobicContact CG-CE2 4.26Å; P158-F192 HydrophobicContact CG-CZ 4.08Å; Y159-F192 HydrophobicContact CE2-CE2 4.14Å; Y159-F192 HydrophobicContact CE2-CZ 4.48Å; Y159-F192 AromaticContact CZ-CE2 3.91Å; Y159-F192 WeakPolarHBondContact OH-CE2 3.36Å; V188-F192 HydrophobicContact CG1-CE2 4.26Å; V188-F192 WeakPolarHBondContact O-CD2 3.37Å; N189-F192 PolarHBondContact O-N 3.25Å; D190-F192 PolarHBondContact O-N 2.99Å; D190-F192 VanDerWaalsContact O-N 3.14Å; F192-T194 VanDerWaalsContact C-N 3.34Å; F192-C197 HydrophobicContact CD1-CB 4.3Å; F192-C197 HydrophobicContact CE1-CB 4.4Å |
| 193 | R | 98 | Very high | 97.9 | Very high | 20 Ų | 20 | 23.5 Ų | 23.5 | 8% | 0.075 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -25.6 | 168.4 | -66.9 | 170.6 | 162.2 | 85.7 | 10.1 | 111.4 | L43 T46 D47 Q50 K71 D190 S191 L288 | L43-R193 HydrophobicContact CD1-CB 3.87Å; L43-R193 HydrophobicContact CD1-CG 3.85Å; T46-R193 HydrophobicContact CG2-CB 4.46Å; T46-R193 HydrophobicContact CG2-CG 3.63Å; D47-R193 IonicContact OD1-CZ 3.7Å; D47-R193 IonicContact OD1-NE 3.41Å; D47-R193 PolarHBondContact OD1-NE 2.77Å; D47-R193 IonicContact OD1-NH2 3.73Å; D47-R193 PolarHBondContact OD1-NH2 2.93Å; Q50-R193 VanDerWaalsContact NE2-CZ 3.32Å; K71-R193 PolarHBondContact NZ-O 3.17Å; D190-R193 VanDerWaalsContact O-CB 3.25Å; D190-R193 WeakPolarHBondContact O-CB 3.38Å; D190-R193 PolarHBondContact O-N 3.14Å; D190-R193 IonicContact OD1-CZ 3.19Å; D190-R193 IonicContact OD1-NH1 3.87Å; D190-R193 PolarHBondContact OD1-NH1 2.62Å; S191-R193 PolarHBondContact O-N 3.4Å; R193-L288 HydrophobicContact CB-CD1 3.92Å; R193-L288 HydrophobicContact CB-CD2 3.77Å |
| 194 | T | 97.8 | Very high | 98 | Very high | 10 Ų | 10 | 18.5 Ų | 18.5 | 6% | 0.061 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -91.5 | 173.6 | 176.1 | 77.2 | 0 | 0 | 0 | 0 | 111.8 | K71 S191 F192 V196 H284 L288 | K71-T194 WeakPolarHBondContact CE-O 3.35Å; K71-T194 PolarHBondContact NZ-O 2.8Å; S191-T194 PolarHBondContact O-N 3.16Å; S191-T194 PolarHBondContact O-OG1 3.41Å; F192-T194 VanDerWaalsContact C-N 3.34Å; T194-V196 VanDerWaalsContact C-N 3.29Å; T194-V196 PolarHBondContact O-N 3.34Å; T194-V196 WeakPolarHBondContact OG1-CG1 3.46Å; T194-V196 WeakPolarHBondContact OG1-CG2 3.23Å; T194-V196 PolarHBondContact OG1-N 3.31Å; T194-H284 HydrophobicContact CG2-CB 4.45Å; T194-L288 HydrophobicContact CG2-CB 3.83Å; T194-L288 HydrophobicContact CG2-CD2 3.85Å; T194-L288 HydrophobicContact CG2-CG 4.29Å |
| 195 | D | 97 | Very high | 98 | Very high | 13 Ų | 13 | 18.8 Ų | 18.8 | 7% | 0.07 | 9% | 0.085 | C | C | . | . | S | Bend | trans | -86.8 | 8 | 176.5 | -68.7 | -26.3 | 0 | 0 | 0 | 113.9 | R25 Q39 K71 C197 L198 H199 | R25-D195 IonicContact CZ-OD2 2.76Å; R25-D195 VanDerWaalsContact CZ-OD2 3.23Å; R25-D195 IonicContact NH1-OD2 3.36Å; R25-D195 PolarHBondContact NH1-OD2 3.29Å; R25-D195 VanDerWaalsContact NH2-CG 3.31Å; R25-D195 IonicContact NH2-OD1 2.85Å; R25-D195 PolarHBondContact NH2-OD1 3.08Å; R25-D195 IonicContact NH2-OD2 3.23Å; R25-D195 PolarHBondContact NH2-OD2 3.49Å; Q39-D195 PolarHBondContact NE2-OD2 3.28Å; K71-D195 IonicContact NZ-OD1 3.4Å; K71-D195 PolarHBondContact NZ-OD1 3.48Å; D195-C197 PolarHBondContact O-N 2.88Å; D195-C197 VanDerWaalsContact O-N 3.11Å; D195-L198 HydrophobicContact CB-CD1 4.45Å; D195-L198 WeakPolarHBondContact O-CB 3.23Å; D195-L198 PolarHBondContact O-N 2.78Å; D195-H199 PolarHBondContact O-CD2 2.91Å |
| 196 | V | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.3 | -29.5 | -176.9 | -62.6 | 0 | 0 | 0 | 0 | 113.3 | T194 L198 H199 Y200 I205 I281 H284 | T194-V196 VanDerWaalsContact C-N 3.29Å; T194-V196 PolarHBondContact O-N 3.34Å; T194-V196 WeakPolarHBondContact OG1-CG1 3.46Å; T194-V196 WeakPolarHBondContact OG1-CG2 3.23Å; T194-V196 PolarHBondContact OG1-N 3.31Å; V196-L198 PolarHBondContact O-N 2.99Å; V196-H199 PolarHBondContact O-N 3.23Å; V196-H199 VanDerWaalsContact O-N 3.11Å; V196-Y200 HydrophobicContact CB-CD2 3.92Å; V196-Y200 HydrophobicContact CB-CE2 4.5Å; V196-Y200 HydrophobicContact CG1-CD2 4.19Å; V196-Y200 HydrophobicContact CG1-CE2 4.31Å; V196-Y200 PolarHBondContact O-N 3.24Å; V196-I205 HydrophobicContact CB-CG1 4.45Å; V196-I205 HydrophobicContact CG2-CD1 4.12Å; V196-I205 HydrophobicContact CG2-CG1 4.21Å; V196-I205 HydrophobicContact CG2-CG2 4.22Å; V196-I281 HydrophobicContact CB-CD1 3.9Å; V196-I281 HydrophobicContact CG1-CD1 3.89Å; V196-H284 HydrophobicContact CG1-CB 3.58Å |
| 197 | C | 97.9 | Very high | 98.1 | Very high | 13 Ų | 13 | 13.6 Ų | 13.6 | 9% | 0.088 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -68.2 | -14.7 | 176.6 | 65.7 | 0 | 0 | 0 | 0 | 114 | V68 K71 F192 D195 I205 | V68-C197 HydrophobicContact CG2-CB 4.23Å; K71-C197 VanDerWaalsContact CD-SG 3.57Å; F192-C197 HydrophobicContact CD1-CB 4.3Å; F192-C197 HydrophobicContact CE1-CB 4.4Å; D195-C197 PolarHBondContact O-N 2.88Å; D195-C197 VanDerWaalsContact O-N 3.11Å; C197-I205 HydrophobicContact CB-CD1 4.49Å |
| 198 | L | 97.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -91.3 | -16.1 | 173.2 | -60.2 | 179.3 | 0 | 0 | 0 | 112.6 | L15 L16 K71 R72 D195 V196 | L15-L198 CarbonylContact C-O 3.53Å; L15-L198 WeakPolarHBondContact CA-O 3.49Å; L16-L198 PolarHBondContact N-O 3.33Å; K71-L198 HydrophobicContact CB-CD1 4.16Å; K71-L198 HydrophobicContact CB-CD2 4.11Å; K71-L198 HydrophobicContact CB-CG 4.27Å; R72-L198 HydrophobicContact CG-CD2 3.91Å; D195-L198 HydrophobicContact CB-CD1 4.45Å; D195-L198 WeakPolarHBondContact O-CB 3.23Å; D195-L198 PolarHBondContact O-N 2.78Å; V196-L198 PolarHBondContact O-N 2.99Å |
| 199 | H | 97.4 | Very high | 98.1 | Very high | 34 Ų | 34 | 13.1 Ų | 13.1 | 16% | 0.157 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -119.3 | -27 | -168.2 | -61.7 | -49.7 | 0 | 0 | 0 | 113.5 | L16 D195 V196 | L16-H199 PolarHBondContact O-ND1 3.22Å; D195-H199 PolarHBondContact O-CD2 2.91Å; V196-H199 PolarHBondContact O-N 3.23Å; V196-H199 VanDerWaalsContact O-N 3.11Å |
| 200 | Y | 97.9 | Very high | 98 | Very high | 27 Ų | 27 | 12.6 Ų | 12.6 | 11% | 0.106 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -123.6 | 145.1 | -171.7 | -59.1 | -88.2 | 0 | 0 | 0 | 111.8 | V196 I204 E280 I281 | V196-Y200 HydrophobicContact CB-CD2 3.92Å; V196-Y200 HydrophobicContact CB-CE2 4.5Å; V196-Y200 HydrophobicContact CG1-CD2 4.19Å; V196-Y200 HydrophobicContact CG1-CE2 4.31Å; V196-Y200 PolarHBondContact O-N 3.24Å; Y200-I204 HydrophobicContact CD1-CG2 4.24Å; Y200-E280 HydrophobicContact CE1-CB 4.32Å; Y200-E280 VanDerWaalsContact CE1-OE2 3.23Å; Y200-E280 WeakPolarHBondContact CE1-OE2 3.45Å; Y200-E280 PolarHBondContact OH-OE2 3.45Å; Y200-I281 HydrophobicContact CD1-CD1 3.98Å; Y200-I281 HydrophobicContact CD2-CD1 3.48Å; Y200-I281 VanDerWaalsContact CD2-CD1 3.48Å; Y200-I281 HydrophobicContact CE1-CD1 4.47Å; Y200-I281 HydrophobicContact CE2-CD1 4.04Å; Y200-I281 HydrophobicContact CG-CD1 3.46Å; Y200-I281 VanDerWaalsContact CG-CD1 3.46Å |
| 201 | P | 96.9 | Very high | 97.9 | Very high | 17 Ų | 17 | 13.2 Ų | 13.2 | 11% | 0.11 | 6% | 0.063 | C | C | . | . | trans | -68.2 | 150.3 | 175.2 | 31.4 | -36.6 | 0 | 0 | 0 | 110.6 | F5 W6 L15 Y203 I204 I205 | F5-P201 HydrophobicContact CD1-CB 4.37Å; F5-P201 HydrophobicContact CE1-CB 3.42Å; F5-P201 VanDerWaalsContact CE1-CB 3.42Å; F5-P201 HydrophobicContact CZ-CB 3.59Å; W6-P201 HydrophobicContact CH2-CB 4.39Å; W6-P201 HydrophobicContact CH2-CG 4.45Å; L15-P201 HydrophobicContact CD1-CB 4.45Å; P201-Y203 VanDerWaalsContact C-N 3.26Å; P201-Y203 HydrophobicContact CB-CD1 3.89Å; P201-Y203 HydrophobicContact CB-CE1 3.69Å; P201-Y203 HydrophobicContact CG-CD1 4.03Å; P201-Y203 HydrophobicContact CG-CE1 3.49Å; P201-Y203 VanDerWaalsContact CG-CE1 3.49Å; P201-Y203 PolarHBondContact O-N 3.44Å; P201-Y203 VanDerWaalsContact O-N 3.1Å; P201-I204 HydrophobicContact CG-CB 4.02Å; P201-I204 HydrophobicContact CG-CG1 3.52Å; P201-I204 PolarHBondContact O-N 2.98Å; P201-I205 PolarHBondContact O-N 3.19Å | ||
| 202 | P | 97.5 | Very high | 97.8 | Very high | 13 Ų | 13 | 14.1 Ų | 14.1 | 8% | 0.084 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -59.8 | -30.8 | -170.2 | -26.4 | 34.5 | 0 | 0 | 0 | 115.2 | F5 F156 P158 I205 A206 | F5-P202 HydrophobicContact CD2-CG 4.45Å; F5-P202 VanDerWaalsContact CE2-CD 3.46Å; F5-P202 HydrophobicContact CE2-CG 4.14Å; F156-P202 HydrophobicContact CB-CG 3.71Å; F156-P202 WeakPolarHBondContact O-CG 3.4Å; P158-P202 WeakPolarHBondContact CB-O 3.48Å; P202-I205 PolarHBondContact O-N 2.96Å; P202-A206 WeakPolarHBondContact O-CB 3.35Å; P202-A206 PolarHBondContact O-N 3.31Å |
| 203 | Y | 96.8 | Very high | 97.6 | Very high | 76 Ų | 76 | 13.9 Ų | 13.9 | 30% | 0.298 | 7% | 0.066 | S | C | . | . | H | α-helix | trans | -71.3 | -32.6 | 178.1 | 79.3 | -86.2 | 0 | 0 | 0 | 112.2 | W6 P201 A206 L207 V273 | W6-Y203 AromaticContact CH2-CE1 3.67Å; W6-Y203 HydrophobicContact CH2-CE1 3.67Å; W6-Y203 HydrophobicContact CZ2-CD1 4.44Å; W6-Y203 AromaticContact CZ2-CE1 3.55Å; W6-Y203 HydrophobicContact CZ2-CE1 3.55Å; P201-Y203 VanDerWaalsContact C-N 3.26Å; P201-Y203 HydrophobicContact CB-CD1 3.89Å; P201-Y203 HydrophobicContact CB-CE1 3.69Å; P201-Y203 HydrophobicContact CG-CD1 4.03Å; P201-Y203 HydrophobicContact CG-CE1 3.49Å; P201-Y203 VanDerWaalsContact CG-CE1 3.49Å; P201-Y203 PolarHBondContact O-N 3.44Å; P201-Y203 VanDerWaalsContact O-N 3.1Å; Y203-A206 PolarHBondContact O-N 3.32Å; Y203-L207 HydrophobicContact CD2-CD1 4.14Å; Y203-L207 VanDerWaalsContact O-CG 3.3Å; Y203-L207 WeakPolarHBondContact O-CG 3.48Å; Y203-L207 PolarHBondContact O-N 3.36Å; Y203-V273 HydrophobicContact CE2-CG1 4.46Å; Y203-V273 HydrophobicContact CE2-CG2 4.26Å |
| 204 | I | 98.3 | Very high | 97.4 | Very high | 7 Ų | 7 | 13.1 Ų | 13.1 | 4% | 0.036 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -69 | -41.7 | 174.1 | -64.8 | -68.2 | 0 | 0 | 0 | 110 | Y200 P201 A206 L207 G208 V273 R277 V278 I281 | Y200-I204 HydrophobicContact CD1-CG2 4.24Å; P201-I204 HydrophobicContact CG-CB 4.02Å; P201-I204 HydrophobicContact CG-CG1 3.52Å; P201-I204 PolarHBondContact O-N 2.98Å; I204-A206 VanDerWaalsContact C-N 3.34Å; I204-A206 PolarHBondContact O-N 3.02Å; I204-L207 PolarHBondContact O-N 2.93Å; I204-G208 PolarHBondContact O-N 3.45Å; I204-V273 HydrophobicContact CD1-CG1 3.37Å; I204-R277 HydrophobicContact CG2-CB 3.99Å; I204-V278 HydrophobicContact CD1-CG2 4.31Å; I204-I281 HydrophobicContact CG2-CD1 4.36Å; I204-I281 HydrophobicContact CG2-CG1 3.94Å |
| 205 | I | 98.8 | Very high | 97.2 | Very high | 5 Ų | 5 | 16.1 Ų | 16.1 | 3% | 0.026 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.2 | -48.7 | 174 | -59 | 170.8 | 0 | 0 | 0 | 110 | P158 V196 C197 P201 P202 L207 G208 C209 I281 | P158-I205 HydrophobicContact CB-CB 4.3Å; P158-I205 HydrophobicContact CB-CG2 4.2Å; P158-I205 HydrophobicContact CG-CG2 4.32Å; V196-I205 HydrophobicContact CB-CG1 4.45Å; V196-I205 HydrophobicContact CG2-CD1 4.12Å; V196-I205 HydrophobicContact CG2-CG1 4.21Å; V196-I205 HydrophobicContact CG2-CG2 4.22Å; C197-I205 HydrophobicContact CB-CD1 4.49Å; P201-I205 PolarHBondContact O-N 3.19Å; P202-I205 PolarHBondContact O-N 2.96Å; I205-L207 PolarHBondContact O-N 3.44Å; I205-G208 PolarHBondContact O-N 2.9Å; I205-C209 PolarHBondContact O-N 3.1Å; I205-C209 PolarHBondContact O-SG 3.26Å; I205-I281 HydrophobicContact CG1-CD1 4Å; I205-I281 HydrophobicContact CG2-CG2 4.47Å |
| 206 | A | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.8 | -43.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P158 P161 L162 F165 P202 Y203 I204 C209 L210 | P158-A206 HydrophobicContact CB-CB 4.01Å; P161-A206 HydrophobicContact CB-CB 4.3Å; P161-A206 HydrophobicContact CG-CB 4.1Å; L162-A206 HydrophobicContact CB-CB 4.02Å; F165-A206 HydrophobicContact CD2-CB 4.21Å; F165-A206 HydrophobicContact CE2-CB 3.98Å; P202-A206 WeakPolarHBondContact O-CB 3.35Å; P202-A206 PolarHBondContact O-N 3.31Å; Y203-A206 PolarHBondContact O-N 3.32Å; I204-A206 VanDerWaalsContact C-N 3.34Å; I204-A206 PolarHBondContact O-N 3.02Å; A206-C209 PolarHBondContact O-N 3.49Å; A206-L210 VanDerWaalsContact O-CB 3.27Å; A206-L210 WeakPolarHBondContact O-CB 3.32Å; A206-L210 PolarHBondContact O-N 3.12Å |
| 207 | L | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.9 | -40.7 | 176.6 | -73.6 | 170 | 0 | 0 | 0 | 112.5 | F165 Y203 I204 I205 L210 Q211 W267 F268 L271 V273 V278 | F165-L207 HydrophobicContact CD1-CD2 4.49Å; F165-L207 HydrophobicContact CD2-CD2 3.73Å; F165-L207 HydrophobicContact CD2-CG 4.08Å; F165-L207 HydrophobicContact CE1-CD2 4.47Å; F165-L207 HydrophobicContact CE2-CD1 4.41Å; F165-L207 HydrophobicContact CE2-CD2 3.69Å; F165-L207 HydrophobicContact CE2-CG 3.6Å; F165-L207 HydrophobicContact CG-CD2 4.15Å; F165-L207 HydrophobicContact CZ-CD1 4.41Å; F165-L207 HydrophobicContact CZ-CD2 4.08Å; F165-L207 HydrophobicContact CZ-CG 4.05Å; Y203-L207 HydrophobicContact CD2-CD1 4.14Å; Y203-L207 VanDerWaalsContact O-CG 3.3Å; Y203-L207 WeakPolarHBondContact O-CG 3.48Å; Y203-L207 PolarHBondContact O-N 3.36Å; I204-L207 PolarHBondContact O-N 2.93Å; I205-L207 PolarHBondContact O-N 3.44Å; L207-L210 PolarHBondContact O-N 2.98Å; L207-Q211 WeakPolarHBondContact O-CB 3.06Å; L207-Q211 PolarHBondContact O-N 3.5Å; L207-W267 HydrophobicContact CD2-CH2 3.79Å; L207-W267 HydrophobicContact CD2-CZ3 3.88Å; L207-F268 HydrophobicContact CB-CE1 4.3Å; L207-F268 HydrophobicContact CD2-CE1 3.86Å; L207-L271 HydrophobicContact CD1-CD1 4.31Å; L207-L271 HydrophobicContact CD2-CD1 3.65Å; L207-V273 HydrophobicContact CD1-CB 4.33Å; L207-V273 HydrophobicContact CD1-CG1 3.86Å; L207-V273 HydrophobicContact CD1-CG2 3.98Å; L207-V278 HydrophobicContact CB-CG1 4.07Å; L207-V278 HydrophobicContact CB-CG2 3.97Å; L207-V278 HydrophobicContact CD1-CG2 4.29Å |
| 208 | G | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.1 | -45.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I204 I205 L210 Q211 L212 S282 | I204-G208 PolarHBondContact O-N 3.45Å; I205-G208 PolarHBondContact O-N 2.9Å; G208-L210 VanDerWaalsContact C-N 3.34Å; G208-L210 PolarHBondContact O-N 2.92Å; G208-Q211 PolarHBondContact O-N 3.13Å; G208-L212 PolarHBondContact O-N 3.12Å; G208-L212 VanDerWaalsContact O-N 3.07Å; G208-S282 PolarHBondContact O-OG 2.99Å |
| 209 | C | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.1 | -42.2 | 173.3 | -65 | 0 | 0 | 0 | 0 | 111.9 | L187 V188 I205 A206 L212 A213 | L187-C209 HydrophobicContact CB-CB 3.84Å; L187-C209 WeakPolarHBondContact CD1-O 3.36Å; V188-C209 HydrophobicContact CG2-CB 3.71Å; I205-C209 PolarHBondContact O-N 3.1Å; I205-C209 PolarHBondContact O-SG 3.26Å; A206-C209 PolarHBondContact O-N 3.49Å; C209-L212 PolarHBondContact O-N 3.48Å; C209-A213 WeakPolarHBondContact O-CB 3.31Å; C209-A213 PolarHBondContact O-N 2.95Å |
| 210 | L | 98 | Very high | 93.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.6 | -45.4 | 177.4 | -179.7 | 65.1 | 0 | 0 | 0 | 111.8 | L162 F165 L169 L180 A184 A206 L207 G208 L212 A213 V214 W267 F268 | L162-L210 HydrophobicContact CD1-CB 4.18Å; L162-L210 HydrophobicContact CD1-CD1 4.38Å; F165-L210 HydrophobicContact CB-CD2 3.68Å; F165-L210 HydrophobicContact CG-CD2 4.48Å; L169-L210 HydrophobicContact CD1-CD1 4.2Å; L169-L210 HydrophobicContact CD1-CD2 3.88Å; L169-L210 HydrophobicContact CD1-CG 4.34Å; L180-L210 HydrophobicContact CD1-CD1 3.88Å; L180-L210 HydrophobicContact CD2-CD1 4.03Å; L180-L210 HydrophobicContact CG-CD1 3.96Å; A184-L210 HydrophobicContact CB-CD1 4.37Å; A206-L210 VanDerWaalsContact O-CB 3.27Å; A206-L210 WeakPolarHBondContact O-CB 3.32Å; A206-L210 PolarHBondContact O-N 3.12Å; L207-L210 PolarHBondContact O-N 2.98Å; G208-L210 VanDerWaalsContact C-N 3.34Å; G208-L210 PolarHBondContact O-N 2.92Å; L210-L212 PolarHBondContact O-N 2.6Å; L210-A213 WeakPolarHBondContact O-CB 3.39Å; L210-A213 PolarHBondContact O-N 2.97Å; L210-V214 WeakPolarHBondContact O-CG2 3.32Å; L210-V214 PolarHBondContact O-N 3.28Å; L210-W267 HydrophobicContact CD2-CH2 3.95Å; L210-W267 HydrophobicContact CD2-CZ3 3.69Å; L210-F268 HydrophobicContact CB-CZ 4.44Å; L210-F268 HydrophobicContact CD2-CZ 4.19Å; L210-F268 HydrophobicContact CG-CZ 4.2Å |
| 211 | Q | 96 | Very high | 92.1 | Very high | 36 Ų | 36 | 27.2 Ų | 27.2 | 17% | 0.168 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.7 | -48.3 | 177.4 | -175 | -173.5 | 40.4 | 0 | 0 | 111 | L207 G208 A213 V214 V215 F268 V278 S282 | L207-Q211 WeakPolarHBondContact O-CB 3.06Å; L207-Q211 PolarHBondContact O-N 3.5Å; G208-Q211 PolarHBondContact O-N 3.13Å; Q211-A213 VanDerWaalsContact C-N 3.32Å; Q211-A213 PolarHBondContact O-N 3.42Å; Q211-V214 PolarHBondContact O-N 3.46Å; Q211-V215 WeakPolarHBondContact O-CG2 3.18Å; Q211-V215 PolarHBondContact O-N 3.44Å; Q211-V215 VanDerWaalsContact O-N 3.12Å; Q211-F268 HydrophobicContact CB-CE1 4.36Å; Q211-F268 HydrophobicContact CB-CE2 4.17Å; Q211-F268 HydrophobicContact CB-CZ 3.75Å; Q211-F268 HydrophobicContact CG-CE2 4.48Å; Q211-F268 HydrophobicContact CG-CZ 4.44Å; Q211-V278 HydrophobicContact CB-CG1 4.47Å; Q211-S282 PolarHBondContact OE1-OG 2.75Å |
| 212 | L | 95.3 | Very high | 90.2 | Very high | 19 Ų | 19 | 33 Ų | 33 | 10% | 0.099 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.6 | -36.7 | 178.6 | -177.6 | 60.8 | 0 | 0 | 0 | 111.8 | L187 G208 C209 L210 V215 I216 L285 L286 Y289 | L187-L212 HydrophobicContact CD1-CB 3.89Å; L187-L212 HydrophobicContact CD1-CD2 4.14Å; L187-L212 HydrophobicContact CD1-CG 3.92Å; L187-L212 HydrophobicContact CD2-CD2 3.89Å; L187-L212 HydrophobicContact CD2-CG 4.41Å; G208-L212 PolarHBondContact O-N 3.12Å; G208-L212 VanDerWaalsContact O-N 3.07Å; C209-L212 PolarHBondContact O-N 3.48Å; L210-L212 PolarHBondContact O-N 2.6Å; L212-V215 PolarHBondContact O-N 2.96Å; L212-I216 HydrophobicContact CD1-CD1 4.47Å; L212-I216 HydrophobicContact CG-CD1 4.1Å; L212-I216 VanDerWaalsContact O-CG1 3.28Å; L212-I216 WeakPolarHBondContact O-CG1 3.4Å; L212-I216 PolarHBondContact O-N 3.48Å; L212-L285 HydrophobicContact CD2-CB 3.96Å; L212-L285 HydrophobicContact CD2-CD1 3.91Å; L212-L286 HydrophobicContact CD1-CD2 4.36Å; L212-Y289 HydrophobicContact CD2-CE2 4.45Å |
| 213 | A | 95.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.5 | -44 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L180 R183 A184 L187 C209 L210 Q211 V215 I216 I217 | L180-A213 HydrophobicContact CD1-CB 3.84Å; R183-A213 HydrophobicContact CB-CB 4.08Å; A184-A213 HydrophobicContact CB-CB 3.76Å; L187-A213 HydrophobicContact CD1-CB 3.88Å; C209-A213 WeakPolarHBondContact O-CB 3.31Å; C209-A213 PolarHBondContact O-N 2.95Å; L210-A213 WeakPolarHBondContact O-CB 3.39Å; L210-A213 PolarHBondContact O-N 2.97Å; Q211-A213 VanDerWaalsContact C-N 3.32Å; Q211-A213 PolarHBondContact O-N 3.42Å; A213-V215 VanDerWaalsContact C-N 3.33Å; A213-V215 PolarHBondContact O-N 3.34Å; A213-I216 PolarHBondContact O-N 3.46Å; A213-I217 WeakPolarHBondContact O-CG1 3.5Å; A213-I217 PolarHBondContact O-N 3.46Å |
| 214 | V | 93.9 | Very high | 85.6 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.024 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.8 | -44.5 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | L180 L210 Q211 I216 I217 S218 A264 | L180-V214 HydrophobicContact CD1-CG2 3.69Å; L210-V214 WeakPolarHBondContact O-CG2 3.32Å; L210-V214 PolarHBondContact O-N 3.28Å; Q211-V214 PolarHBondContact O-N 3.46Å; V214-I216 VanDerWaalsContact C-N 3.35Å; V214-I216 PolarHBondContact O-N 3.02Å; V214-I217 PolarHBondContact O-N 3.05Å; V214-S218 WeakPolarHBondContact O-CB 3.27Å; V214-S218 PolarHBondContact O-N 3.3Å; V214-S218 PolarHBondContact O-OG 2.96Å; V214-A264 HydrophobicContact CB-CB 4.25Å; V214-A264 HydrophobicContact CG1-CB 3.55Å; V214-A264 HydrophobicContact CG2-CB 3.9Å |
| 215 | V | 92 | Very high | 82.9 | Confident | 73 Ų | 73 | 43 Ų | 43 | 44% | 0.442 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62 | -43.2 | 178.7 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | Q211 L212 A213 S218 S219 | Q211-V215 WeakPolarHBondContact O-CG2 3.18Å; Q211-V215 PolarHBondContact O-N 3.44Å; Q211-V215 VanDerWaalsContact O-N 3.12Å; L212-V215 PolarHBondContact O-N 2.96Å; A213-V215 VanDerWaalsContact C-N 3.33Å; A213-V215 PolarHBondContact O-N 3.34Å; V215-S218 PolarHBondContact O-N 3.08Å; V215-S219 WeakPolarHBondContact O-CB 3.3Å; V215-S219 PolarHBondContact O-N 3.33Å; V215-S219 PolarHBondContact O-OG 3.3Å |
| 216 | I | 90.4 | Very high | 79.8 | Confident | 63 Ų | 63 | 44.7 Ų | 44.7 | 32% | 0.323 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 178.2 | -69.6 | 165.1 | 0 | 0 | 0 | 111.4 | L187 L212 A213 V214 S219 N220 | L187-I216 HydrophobicContact CD1-CD1 4.24Å; L187-I216 HydrophobicContact CD2-CD1 4.42Å; L212-I216 HydrophobicContact CD1-CD1 4.47Å; L212-I216 HydrophobicContact CG-CD1 4.1Å; L212-I216 VanDerWaalsContact O-CG1 3.28Å; L212-I216 WeakPolarHBondContact O-CG1 3.4Å; L212-I216 PolarHBondContact O-N 3.48Å; A213-I216 PolarHBondContact O-N 3.46Å; V214-I216 VanDerWaalsContact C-N 3.35Å; V214-I216 PolarHBondContact O-N 3.02Å; I216-S219 PolarHBondContact O-N 2.94Å; I216-N220 PolarHBondContact O-N 2.99Å; I216-N220 PolarHBondContact O-ND2 3.38Å |
| 217 | I | 88.4 | Confident | 76.6 | Confident | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 178.9 | -72.8 | 168.8 | 0 | 0 | 0 | 110.8 | Y176 V179 L180 R183 A213 V214 S219 N220 L224 | Y176-I217 HydrophobicContact CD1-CG2 3.79Å; Y176-I217 HydrophobicContact CE1-CG2 4.29Å; Y176-I217 HydrophobicContact CG-CG2 4.37Å; V179-I217 HydrophobicContact CG1-CD1 4.02Å; V179-I217 HydrophobicContact CG1-CG1 4.21Å; L180-I217 VanDerWaalsContact CA-CD1 3.49Å; L180-I217 HydrophobicContact CB-CD1 3.91Å; L180-I217 HydrophobicContact CD1-CD1 3.92Å; R183-I217 HydrophobicContact CG-CD1 4.45Å; R183-I217 HydrophobicContact CG-CG1 4.5Å; A213-I217 WeakPolarHBondContact O-CG1 3.5Å; A213-I217 PolarHBondContact O-N 3.46Å; V214-I217 PolarHBondContact O-N 3.05Å; I217-S219 VanDerWaalsContact C-N 3.26Å; I217-S219 PolarHBondContact O-N 3.25Å; I217-N220 CarbonylContact O-C 3.36Å; I217-N220 PolarHBondContact O-N 3.38Å; I217-L224 HydrophobicContact CB-CD1 4.39Å; I217-L224 HydrophobicContact CG1-CD1 4.24Å; I217-L224 HydrophobicContact CG2-CD1 3.78Å |
| 218 | S | 86.1 | Confident | 73.4 | Confident | 36 Ų | 36 | 55 Ų | 55 | 25% | 0.252 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.6 | -28.3 | 180 | -53.9 | 0 | 0 | 0 | 0 | 112.7 | V214 V215 | V214-S218 WeakPolarHBondContact O-CB 3.27Å; V214-S218 PolarHBondContact O-N 3.3Å; V214-S218 PolarHBondContact O-OG 2.96Å; V215-S218 PolarHBondContact O-N 3.08Å |
| 219 | S | 82.8 | Confident | 69.9 | Low | 81 Ų | 81 | 62.2 Ų | 62.2 | 57% | 0.566 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -82.6 | -21.2 | -179.8 | -56.2 | 0 | 0 | 0 | 0 | 113.6 | V215 I216 I217 | V215-S219 WeakPolarHBondContact O-CB 3.3Å; V215-S219 PolarHBondContact O-N 3.33Å; V215-S219 PolarHBondContact O-OG 3.3Å; I216-S219 PolarHBondContact O-N 2.94Å; I217-S219 VanDerWaalsContact C-N 3.26Å; I217-S219 PolarHBondContact O-N 3.25Å |
| 220 | N | 70.8 | Confident | 66.9 | Low | 82 Ų | 82 | 67.8 Ų | 67.8 | 44% | 0.439 | 40% | 0.399 | S | S | . | . | trans | -134 | 59.8 | -177.2 | -61.2 | -82.4 | 0 | 0 | 0 | 112.1 | I216 I217 D222 L223 | I216-N220 PolarHBondContact O-N 2.99Å; I216-N220 PolarHBondContact O-ND2 3.38Å; I217-N220 CarbonylContact O-C 3.36Å; I217-N220 PolarHBondContact O-N 3.38Å; N220-D222 VanDerWaalsContact C-N 3.28Å; N220-D222 PolarHBondContact O-N 3.07Å; N220-L223 HydrophobicContact CB-CD1 4.39Å | ||
| 221 | P | 60.8 | Low | 63.6 | Low | 54 Ų | 54 | 72.8 Ų | 72.8 | 35% | 0.351 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -63.1 | -35.3 | -178.5 | 25.8 | -33.6 | 0 | 0 | 0 | 112.3 | L223 L224 | P221-L223 VanDerWaalsContact C-N 3.35Å; P221-L223 PolarHBondContact O-N 3.47Å; P221-L224 PolarHBondContact O-N 3.32Å; P221-L224 VanDerWaalsContact O-N 3.13Å |
| 222 | D | 57.5 | Low | 60.7 | Low | 139 Ų | 139 | 72.6 Ų | 72.6 | 74% | 0.743 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -67.3 | -31.3 | -172 | -61.7 | -31.8 | 0 | 0 | 0 | 113.7 | N220 L224 | N220-D222 VanDerWaalsContact C-N 3.28Å; N220-D222 PolarHBondContact O-N 3.07Å; D222-L224 PolarHBondContact O-N 2.91Å |
| 223 | L | 50.3 | Low | 57.7 | Low | 130 Ų | 130 | 76.5 Ų | 76.5 | 68% | 0.681 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -71.9 | -14.1 | 177.8 | -70.5 | 177.6 | 0 | 0 | 0 | 113 | N220 P221 | N220-L223 HydrophobicContact CB-CD1 4.39Å; P221-L223 VanDerWaalsContact C-N 3.35Å; P221-L223 PolarHBondContact O-N 3.47Å |
| 224 | L | 47 | Very low | 55.1 | Low | 52 Ų | 52 | 80.8 Ų | 80.8 | 27% | 0.272 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -92 | -27.7 | -179.8 | -56.3 | -175 | 0 | 0 | 0 | 112.9 | Y176 V179 I217 P221 D222 G226 | Y176-L224 HydrophobicContact CD1-CD1 4.26Å; Y176-L224 HydrophobicContact CE1-CD1 4.46Å; V179-L224 HydrophobicContact CG1-CD1 3.92Å; V179-L224 HydrophobicContact CG1-CD2 3.74Å; V179-L224 HydrophobicContact CG1-CG 4.46Å; I217-L224 HydrophobicContact CB-CD1 4.39Å; I217-L224 HydrophobicContact CG1-CD1 4.24Å; I217-L224 HydrophobicContact CG2-CD1 3.78Å; P221-L224 PolarHBondContact O-N 3.32Å; P221-L224 VanDerWaalsContact O-N 3.13Å; D222-L224 PolarHBondContact O-N 2.91Å; L224-G226 VanDerWaalsContact C-N 3.32Å |
| 225 | V | 41.5 | Very low | 52.4 | Low | 122 Ų | 122 | 85.5 Ų | 85.5 | 74% | 0.739 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -76.5 | -26.1 | 177.2 | -170.3 | 0 | 0 | 0 | 0 | 110.9 | S227 | V225-S227 PolarHBondContact O-N 3.35Å; V225-S227 VanDerWaalsContact O-N 3.14Å |
| 226 | G | 35.3 | Very low | 49.9 | Very low | 42 Ų | 42 | 87.4 Ų | 87.4 | 43% | 0.433 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -70.2 | 105.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110 | L224 V228 | L224-G226 VanDerWaalsContact C-N 3.32Å; G226-V228 PolarHBondContact O-N 2.7Å |
| 227 | S | 31.3 | Very low | 47.2 | Very low | 110 Ų | 110 | 90.9 Ų | 90.9 | 77% | 0.769 | 54% | 0.541 | S | S | * | . | trans | -57.8 | 79.7 | 176.9 | -43.4 | 0 | 0 | 0 | 0 | 111.8 | V225 N229 | V225-S227 PolarHBondContact O-N 3.35Å; V225-S227 VanDerWaalsContact O-N 3.14Å; S227-N229 PolarHBondContact O-N 3.08Å | ||
| 228 | V | 31 | Very low | 45.1 | Very low | 106 Ų | 106 | 92.2 Ų | 92.2 | 64% | 0.642 | 55% | 0.551 | S | S | * | * | trans | -80.9 | 101.1 | 167.1 | -163.8 | 0 | 0 | 0 | 0 | 106 | G226 I230 | G226-V228 PolarHBondContact O-N 2.7Å; V228-I230 HydrophobicContact CB-CD1 4.49Å; V228-I230 HydrophobicContact CB-CG1 3.96Å; V228-I230 HydrophobicContact CG1-CD1 3.89Å; V228-I230 HydrophobicContact CG1-CG1 3.25Å; V228-I230 PolarHBondContact O-N 3.36Å | ||
| 229 | N | 26 | Very low | 42.9 | Very low | 152 Ų | 152 | 93.7 Ų | 93.7 | 81% | 0.813 | 56% | 0.561 | S | S | * | * | trans | -62.3 | 60 | 163 | -73 | -27.8 | 0 | 0 | 0 | 109.9 | S227 S231 | S227-N229 PolarHBondContact O-N 3.08Å; N229-S231 PolarHBondContact O-N 2.96Å | ||
| 230 | I | 34.4 | Very low | 40.5 | Very low | 117 Ų | 117 | 92.1 Ų | 92.1 | 60% | 0.6 | 55% | 0.546 | S | S | * | . | trans | -73 | 116 | 164.1 | -47.7 | -174.2 | 0 | 0 | 0 | 104.5 | V228 S232 | V228-I230 HydrophobicContact CB-CD1 4.49Å; V228-I230 HydrophobicContact CB-CG1 3.96Å; V228-I230 HydrophobicContact CG1-CD1 3.89Å; V228-I230 HydrophobicContact CG1-CG1 3.25Å; V228-I230 PolarHBondContact O-N 3.36Å; I230-S232 VanDerWaalsContact CB-OG 3.29Å; I230-S232 WeakPolarHBondContact CB-OG 3.44Å; I230-S232 WeakPolarHBondContact CG2-OG 3.38Å; I230-S232 PolarHBondContact O-N 3.42Å; I230-S232 PolarHBondContact O-OG 3.34Å | ||
| 231 | S | 29.4 | Very low | 38.3 | Very low | 106 Ų | 106 | 93.8 Ų | 93.8 | 74% | 0.741 | 56% | 0.564 | S | S | * | * | trans | -68.5 | 56.6 | 173.5 | -48.2 | 0 | 0 | 0 | 0 | 110.3 | N229 S233 | N229-S231 PolarHBondContact O-N 2.96Å; S231-S233 VanDerWaalsContact C-N 3.26Å; S231-S233 PolarHBondContact O-N 3.39Å | ||
| 232 | S | 35.6 | Very low | 37 | Very low | 31 Ų | 31 | 95.2 Ų | 95.2 | 22% | 0.217 | 57% | 0.568 | C | S | . | * | G | 310 helix | trans | -81.3 | 8.1 | -170.3 | -53.6 | 0 | 0 | 0 | 0 | 114.5 | I230 S234 F235 | I230-S232 VanDerWaalsContact CB-OG 3.29Å; I230-S232 WeakPolarHBondContact CB-OG 3.44Å; I230-S232 WeakPolarHBondContact CG2-OG 3.38Å; I230-S232 PolarHBondContact O-N 3.42Å; I230-S232 PolarHBondContact O-OG 3.34Å; S232-S234 PolarHBondContact O-N 2.98Å; S232-F235 PolarHBondContact O-N 3.44Å |
| 233 | S | 32 | Very low | 35.4 | Very low | 102 Ų | 102 | 94.5 Ų | 94.5 | 71% | 0.713 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -65.9 | -6.6 | 178.6 | 55 | 0 | 0 | 0 | 0 | 113.7 | S231 F235 | S231-S233 VanDerWaalsContact C-N 3.26Å; S231-S233 PolarHBondContact O-N 3.39Å; S233-F235 VanDerWaalsContact C-N 3.32Å; S233-F235 PolarHBondContact O-N 3.05Å |
| 234 | S | 40.5 | Very low | 34.6 | Very low | 90 Ų | 90 | 92.1 Ų | 92.1 | 63% | 0.629 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -71.7 | -18.4 | 175.8 | 37.3 | 0 | 0 | 0 | 0 | 114.3 | S232 | S232-S234 PolarHBondContact O-N 2.98Š|
| 235 | F | 37.6 | Very low | 33.6 | Very low | 102 Ų | 102 | 96.8 Ų | 96.8 | 45% | 0.447 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -94.8 | -15.7 | 178.1 | -61.7 | -74 | 0 | 0 | 0 | 114.4 | W186 S232 S233 N237 | W186-F235 HydrophobicContact CH2-CB 4.26Å; W186-F235 AromaticContact CH2-CD1 3.5Å; W186-F235 HydrophobicContact CH2-CD1 3.5Å; W186-F235 VanDerWaalsContact CH2-CD1 3.5Å; W186-F235 AromaticContact CH2-CD2 3.63Å; W186-F235 HydrophobicContact CH2-CD2 3.63Å; W186-F235 AromaticContact CH2-CE1 3.62Å; W186-F235 HydrophobicContact CH2-CE1 3.62Å; W186-F235 AromaticContact CH2-CE2 3.72Å; W186-F235 HydrophobicContact CH2-CE2 3.72Å; W186-F235 AromaticContact CH2-CG 3.5Å; W186-F235 HydrophobicContact CH2-CG 3.5Å; W186-F235 VanDerWaalsContact CH2-CG 3.5Å; W186-F235 AromaticContact CH2-CZ 3.72Å; W186-F235 HydrophobicContact CH2-CZ 3.72Å; W186-F235 HydrophobicContact CZ2-CB 4Å; W186-F235 HydrophobicContact CZ2-CD1 4.03Å; W186-F235 AromaticContact CZ2-CD2 3.36Å; W186-F235 HydrophobicContact CZ2-CD2 3.36Å; W186-F235 HydrophobicContact CZ2-CE1 4.37Å; W186-F235 AromaticContact CZ2-CE2 3.74Å; W186-F235 HydrophobicContact CZ2-CE2 3.74Å; W186-F235 AromaticContact CZ2-CG 3.51Å; W186-F235 HydrophobicContact CZ2-CG 3.51Å; W186-F235 HydrophobicContact CZ2-CZ 4.23Å; W186-F235 HydrophobicContact CZ3-CD1 4.41Å; S232-F235 PolarHBondContact O-N 3.44Å; S233-F235 VanDerWaalsContact C-N 3.32Å; S233-F235 PolarHBondContact O-N 3.05Å; F235-N237 VanDerWaalsContact C-N 3.29Å; F235-N237 PolarHBondContact O-N 3.22Å |
| 236 | M | 39.4 | Very low | 32.8 | Very low | 113 Ų | 113 | 101.1 Ų | 101.1 | 56% | 0.557 | 60% | 0.602 | S | S | * | * | trans | -88.2 | 18.6 | 179.5 | -62.8 | -168.7 | 92.6 | 0 | 0 | 113.9 | L181 S238 | L181-M236 HydrophobicContact CD2-CE 4.27Å; M236-S238 PolarHBondContact O-N 2.97Å | ||
| 237 | N | 33.8 | Very low | 32.3 | Very low | 136 Ų | 136 | 105.8 Ų | 105.8 | 73% | 0.727 | 61% | 0.612 | S | S | * | * | trans | -73 | 17.6 | 176.9 | -145.3 | 12.9 | 0 | 0 | 0 | 113.7 | F235 S239 | F235-N237 VanDerWaalsContact C-N 3.29Å; F235-N237 PolarHBondContact O-N 3.22Å; N237-S239 PolarHBondContact O-N 3.15Å | ||
| 238 | S | 44.2 | Very low | 31.9 | Very low | 34 Ų | 34 | 104.1 Ų | 104.1 | 24% | 0.238 | 61% | 0.613 | C | S | . | * | trans | -71.7 | 90.9 | 165.5 | 35.2 | 0 | 0 | 0 | 0 | 108.3 | W185 M236 L240 | W185-S238 WeakPolarHBondContact CH2-OG 3.44Å; W185-S238 WeakPolarHBondContact CZ2-OG 3.47Å; M236-S238 PolarHBondContact O-N 2.97Å; S238-L240 PolarHBondContact O-N 2.7Å | ||
| 239 | S | 39 | Very low | 31.8 | Very low | 67 Ų | 67 | 108.5 Ų | 108.5 | 47% | 0.469 | 62% | 0.619 | S | S | . | * | trans | -66.2 | 67.2 | 167.3 | 61.6 | 0 | 0 | 0 | 0 | 110.5 | R59 N237 | R59-S239 PolarHBondContact NE-OG 2.91Å; R59-S239 PolarHBondContact NH2-OG 2.95Å; R59-S239 VanDerWaalsContact NH2-OG 3.12Å; N237-S239 PolarHBondContact O-N 3.15Å | ||
| 240 | L | 32.5 | Very low | 31.8 | Very low | 48 Ų | 48 | 111.4 Ų | 111.4 | 25% | 0.251 | 63% | 0.625 | S | S | . | * | trans | -85 | 92.8 | 151.6 | -164.4 | 76.7 | 0 | 0 | 0 | 105 | R160 S238 I242 | R160-L240 HydrophobicContact CG-CD1 4.06Å; R160-L240 HydrophobicContact CG-CD2 3.77Å; S238-L240 PolarHBondContact O-N 2.7Å; L240-I242 VanDerWaalsContact C-N 3.32Å; L240-I242 HydrophobicContact CD2-CD1 3.66Å; L240-I242 HydrophobicContact CD2-CG1 4.16Å; L240-I242 HydrophobicContact CG-CD1 4.34Å; L240-I242 HydrophobicContact CG-CG1 4.31Å; L240-I242 PolarHBondContact O-N 3.05Å | ||
| 241 | S | 26 | Very low | 31.4 | Very low | 116 Ų | 116 | 109.3 Ų | 109.3 | 81% | 0.811 | 63% | 0.632 | S | S | * | * | trans | -64.9 | 95 | 176.3 | 57.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 242 | I | 32.3 | Very low | 31.5 | Very low | 84 Ų | 84 | 112.1 Ų | 112.1 | 43% | 0.431 | 63% | 0.633 | S | S | . | * | trans | -108.2 | 113.1 | 161.6 | -63.9 | 175.6 | 0 | 0 | 0 | 105 | V163 L240 S244 | V163-I242 HydrophobicContact CG1-CD1 3.87Å; L240-I242 VanDerWaalsContact C-N 3.32Å; L240-I242 HydrophobicContact CD2-CD1 3.66Å; L240-I242 HydrophobicContact CD2-CG1 4.16Å; L240-I242 HydrophobicContact CG-CD1 4.34Å; L240-I242 HydrophobicContact CG-CG1 4.31Å; L240-I242 PolarHBondContact O-N 3.05Å; I242-S244 VanDerWaalsContact C-N 3.34Å; I242-S244 PolarHBondContact O-N 2.91Å | ||
| 243 | S | 24.8 | Very low | 31.2 | Very low | 124 Ų | 124 | 120.2 Ų | 120.2 | 87% | 0.867 | 67% | 0.668 | S | S | * | * | trans | -67.3 | 90.5 | 176.8 | -65.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 244 | S | 32.8 | Very low | 31.5 | Very low | 80 Ų | 80 | 119.5 Ų | 119.5 | 56% | 0.559 | 66% | 0.659 | S | S | * | * | trans | -99.3 | 114.3 | 170.3 | -61.2 | 0 | 0 | 0 | 0 | 109.2 | I242 K246 | I242-S244 VanDerWaalsContact C-N 3.34Å; I242-S244 PolarHBondContact O-N 2.91Å; S244-K246 PolarHBondContact O-N 3.43Å; S244-K246 VanDerWaalsContact O-N 3.14Å | ||
| 245 | N | 26.1 | Very low | 31.6 | Very low | 151 Ų | 151 | 124.4 Ų | 124.4 | 81% | 0.807 | 67% | 0.672 | S | S | * | * | trans | -60.1 | 110.8 | 177.3 | -78 | -46.3 | 0 | 0 | 0 | 110.4 | H247 | N245-H247 PolarHBondContact O-N 3.28Å; N245-H247 VanDerWaalsContact O-N 3.1Å | ||
| 246 | K | 24.9 | Very low | 32.3 | Very low | 212 Ų | 212 | 121.4 Ų | 121.4 | 92% | 0.922 | 66% | 0.664 | S | S | * | * | trans | -65.6 | 103.2 | 170.7 | -73.3 | -178 | 176.4 | -178.6 | 0 | 109.7 | S244 | S244-K246 PolarHBondContact O-N 3.43Å; S244-K246 VanDerWaalsContact O-N 3.14Å | ||
| 247 | H | 24.7 | Very low | 33.2 | Very low | 140 Ų | 140 | 122.6 Ų | 122.6 | 65% | 0.648 | 68% | 0.678 | S | S | * | * | trans | -100 | 112.3 | 161.2 | -91 | 70.3 | 0 | 0 | 0 | 108.4 | N245 Y249 | N245-H247 PolarHBondContact O-N 3.28Å; N245-H247 VanDerWaalsContact O-N 3.1Å; H247-Y249 HydrophobicContact CB-CD2 4.09Å; H247-Y249 HydrophobicContact CB-CE2 3.73Å; H247-Y249 AromaticContact CD2-CE2 3.7Å; H247-Y249 AromaticContact CD2-CZ 3.95Å | ||
| 248 | G | 23.3 | Very low | 35 | Very low | 75 Ų | 75 | 119.1 Ų | 119.1 | 77% | 0.773 | 66% | 0.661 | S | S | * | * | trans | -79.3 | 124.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 249 | Y | 28.5 | Very low | 36.8 | Very low | 199 Ų | 199 | 121.2 Ų | 121.2 | 78% | 0.78 | 67% | 0.67 | S | S | * | * | trans | -126.3 | 137.4 | 170.2 | -77.5 | -72.8 | 0 | 0 | 0 | 112 | H247 | H247-Y249 HydrophobicContact CB-CD2 4.09Å; H247-Y249 HydrophobicContact CB-CE2 3.73Å; H247-Y249 AromaticContact CD2-CE2 3.7Å; H247-Y249 AromaticContact CD2-CZ 3.95Å | ||
| 250 | F | 25.6 | Very low | 39 | Very low | 213 Ų | 213 | 118.5 Ų | 118.5 | 93% | 0.934 | 65% | 0.65 | S | S | * | * | trans | -67.6 | 152.3 | -176.9 | -134.8 | -109.4 | 0 | 0 | 0 | 111.4 | ||||
| 251 | G | 27 | Very low | 41.6 | Very low | 73 Ų | 73 | 117.9 Ų | 117.9 | 75% | 0.753 | 65% | 0.65 | S | S | * | * | trans | -62.5 | 144.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 252 | H | 31.4 | Very low | 44.7 | Very low | 164 Ų | 164 | 117.8 Ų | 117.8 | 76% | 0.759 | 64% | 0.64 | S | S | * | * | trans | -135.5 | 114.1 | 149.4 | -138.9 | -60.5 | 0 | 0 | 0 | 106.2 | T254 | H252-T254 PolarHBondContact O-N 3.1Š| ||
| 253 | Q | 29.8 | Very low | 47.5 | Very low | 202 Ų | 202 | 114.8 Ų | 114.8 | 94% | 0.944 | 63% | 0.625 | S | S | * | * | trans | -68.6 | 84.7 | 167.9 | -88.7 | 178.1 | -0.8 | 0 | 0 | 107.7 | ||||
| 254 | T | 38.3 | Very low | 50.6 | Low | 86 Ų | 86 | 109 Ų | 109 | 53% | 0.528 | 59% | 0.585 | S | S | . | * | trans | -101.5 | 117.1 | 158 | 52.8 | 0 | 0 | 0 | 0 | 105.2 | H252 S256 | H252-T254 PolarHBondContact O-N 3.1Å; T254-S256 PolarHBondContact O-N 3.38Å | ||
| 255 | Q | 41.1 | Very low | 53.4 | Low | 193 Ų | 193 | 109.3 Ų | 109.3 | 90% | 0.902 | 58% | 0.58 | S | S | * | * | trans | -57.1 | 89.4 | 167.7 | -168.6 | 174.9 | 50.2 | 0 | 0 | 106.4 | T257 | Q255-T257 PolarHBondContact O-N 2.95Š| ||
| 256 | S | 52.3 | Low | 56.6 | Low | 40 Ų | 40 | 109.7 Ų | 109.7 | 28% | 0.28 | 57% | 0.57 | S | S | . | * | trans | -73.1 | 124.2 | -168.5 | 98.3 | 0 | 0 | 0 | 0 | 107.4 | E175 T254 V258 | E175-S256 WeakPolarHBondContact OE1-CB 3.45Å; E175-S256 VanDerWaalsContact OE2-CB 3.26Å; E175-S256 WeakPolarHBondContact OE2-CB 3.39Å; E175-S256 PolarHBondContact OE2-OG 3.46Å; T254-S256 PolarHBondContact O-N 3.38Å; S256-V258 PolarHBondContact O-N 3.2Å | ||
| 257 | T | 59.6 | Low | 60 | Low | 138 Ų | 138 | 100.2 Ų | 100.2 | 85% | 0.847 | 53% | 0.529 | S | S | * | . | trans | -86.7 | 15.2 | -174 | 50.2 | 0 | 0 | 0 | 0 | 111.7 | Q255 N259 | Q255-T257 PolarHBondContact O-N 2.95Å; T257-N259 PolarHBondContact O-N 3.2Å | ||
| 258 | V | 71 | Confident | 63.3 | Low | 62 Ų | 62 | 94 Ų | 94 | 38% | 0.376 | 50% | 0.5 | S | S | . | . | trans | -80.9 | 108.1 | -174.1 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | S256 P260 V263 | S256-V258 PolarHBondContact O-N 3.2Å; V258-P260 WeakPolarHBondContact O-CD 3.29Å; V258-V263 HydrophobicContact CG1-CG2 3.55Å | ||
| 259 | N | 82.4 | Confident | 66.6 | Low | 79 Ų | 79 | 95.3 Ų | 95.3 | 42% | 0.422 | 50% | 0.497 | S | S | . | . | trans | -73 | 111.1 | 172.1 | -175.5 | -18.1 | 0 | 0 | 0 | 109.1 | T257 S261 L262 V263 | T257-N259 PolarHBondContact O-N 3.2Å; N259-S261 PolarHBondContact O-N 3.37Å; N259-S261 WeakPolarHBondContact OD1-CB 3.41Å; N259-S261 PolarHBondContact OD1-N 3.44Å; N259-S261 VanDerWaalsContact OD1-N 3.15Å; N259-L262 HydrophobicContact CB-CB 4.33Å; N259-L262 HydrophobicContact CB-CD1 3.96Å; N259-L262 HydrophobicContact CB-CG 4.05Å; N259-L262 PolarHBondContact O-N 3.35Å; N259-L262 VanDerWaalsContact O-N 3.14Å; N259-V263 PolarHBondContact O-N 3.04Å | ||
| 260 | P | 85.2 | Confident | 69.7 | Low | 9 Ų | 9 | 91.6 Ų | 91.6 | 6% | 0.058 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -59.2 | -33.2 | -175.8 | 23.6 | -34.4 | 0 | 0 | 0 | 112.9 | M173 Y176 V258 V263 A264 | M173-P260 HydrophobicContact CE-CB 3.37Å; Y176-P260 HydrophobicContact CD2-CB 4.2Å; Y176-P260 HydrophobicContact CE2-CB 4.36Å; Y176-P260 HydrophobicContact CE2-CG 4.28Å; V258-P260 WeakPolarHBondContact O-CD 3.29Å; P260-V263 PolarHBondContact O-N 2.97Å; P260-A264 WeakPolarHBondContact O-CB 3.45Å; P260-A264 PolarHBondContact O-N 3.39Å |
| 261 | S | 87.5 | Confident | 72.9 | Confident | 35 Ų | 35 | 83.4 Ų | 83.4 | 25% | 0.245 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 177.6 | -166.9 | 0 | 0 | 0 | 0 | 111.8 | N259 V263 A264 D265 | N259-S261 PolarHBondContact O-N 3.37Å; N259-S261 WeakPolarHBondContact OD1-CB 3.41Å; N259-S261 PolarHBondContact OD1-N 3.44Å; N259-S261 VanDerWaalsContact OD1-N 3.15Å; S261-V263 VanDerWaalsContact C-N 3.33Å; S261-V263 PolarHBondContact O-N 2.88Å; S261-A264 PolarHBondContact O-N 2.93Å; S261-D265 WeakPolarHBondContact O-CB 3.28Å; S261-D265 PolarHBondContact O-N 3.28Å |
| 262 | L | 90.2 | Very high | 76 | Confident | 115 Ų | 115 | 88.1 Ų | 88.1 | 60% | 0.602 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.6 | -37.6 | -178.6 | -69 | 179.6 | 0 | 0 | 0 | 112.2 | N259 R266 | N259-L262 HydrophobicContact CB-CB 4.33Å; N259-L262 HydrophobicContact CB-CD1 3.96Å; N259-L262 HydrophobicContact CB-CG 4.05Å; N259-L262 PolarHBondContact O-N 3.35Å; N259-L262 VanDerWaalsContact O-N 3.14Å; L262-R266 PolarHBondContact O-N 3.5Å |
| 263 | V | 91 | Very high | 78.9 | Confident | 21 Ų | 21 | 82 Ų | 82 | 13% | 0.127 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64 | -47.4 | 175.6 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | Q172 M173 V258 N259 P260 S261 R266 W267 | Q172-V263 HydrophobicContact CB-CG1 3.49Å; Q172-V263 VanDerWaalsContact CB-CG1 3.49Å; Q172-V263 HydrophobicContact CG-CG1 4.4Å; M173-V263 HydrophobicContact CG-CB 4.19Å; M173-V263 HydrophobicContact CG-CG1 3.68Å; M173-V263 HydrophobicContact SD-CB 4.46Å; M173-V263 HydrophobicContact SD-CG1 4.14Å; V258-V263 HydrophobicContact CG1-CG2 3.55Å; N259-V263 PolarHBondContact O-N 3.04Å; P260-V263 PolarHBondContact O-N 2.97Å; S261-V263 VanDerWaalsContact C-N 3.33Å; S261-V263 PolarHBondContact O-N 2.88Å; V263-R266 PolarHBondContact O-N 3.47Å; V263-W267 PolarHBondContact O-N 2.87Å |
| 264 | A | 90.6 | Very high | 82 | Confident | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.008 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -64.3 | -45.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V214 P260 S261 R266 W267 F268 | V214-A264 HydrophobicContact CB-CB 4.25Å; V214-A264 HydrophobicContact CG1-CB 3.55Å; V214-A264 HydrophobicContact CG2-CB 3.9Å; P260-A264 WeakPolarHBondContact O-CB 3.45Å; P260-A264 PolarHBondContact O-N 3.39Å; S261-A264 PolarHBondContact O-N 2.93Å; A264-R266 PolarHBondContact O-N 2.88Å; A264-W267 PolarHBondContact O-N 3.43Å; A264-W267 VanDerWaalsContact O-N 3.07Å; A264-F268 HydrophobicContact CB-CD2 4.25Å; A264-F268 HydrophobicContact CB-CE2 4.35Å; A264-F268 WeakPolarHBondContact O-CB 3.14Å; A264-F268 WeakPolarHBondContact O-CD2 3.43Å; A264-F268 PolarHBondContact O-N 3.33Å |
| 265 | D | 91.3 | Very high | 84.6 | Confident | 87 Ų | 87 | 74.9 Ų | 74.9 | 47% | 0.465 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -56.4 | -42.4 | 179.2 | -70.9 | -27.5 | 0 | 0 | 0 | 111.2 | S261 S269 | S261-D265 WeakPolarHBondContact O-CB 3.28Å; S261-D265 PolarHBondContact O-N 3.28Å; D265-S269 WeakPolarHBondContact O-CB 3.47Å; D265-S269 PolarHBondContact O-N 3.47Å; D265-S269 PolarHBondContact O-OG 2.94Å |
| 266 | R | 94 | Very high | 87.3 | Confident | 159 Ų | 159 | 71.4 Ų | 71.4 | 60% | 0.6 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -63.8 | -49.9 | 174 | -178.9 | -179.9 | 172.6 | 175.2 | 0.9 | 111.7 | L262 V263 A264 F268 S269 E270 | L262-R266 PolarHBondContact O-N 3.5Å; V263-R266 PolarHBondContact O-N 3.47Å; A264-R266 PolarHBondContact O-N 2.88Å; R266-F268 PolarHBondContact O-N 3.01Å; R266-S269 WeakPolarHBondContact O-CB 3.46Å; R266-S269 PolarHBondContact O-N 3.23Å; R266-S269 VanDerWaalsContact O-N 3.15Å; R266-E270 IonicContact CZ-OE1 3.76Å; R266-E270 IonicContact NE-OE1 2.98Å; R266-E270 PolarHBondContact NE-OE1 2.89Å; R266-E270 IonicContact NH2-OE1 3.63Å; R266-E270 WeakPolarHBondContact O-CG 3.12Å; R266-E270 PolarHBondContact O-N 2.89Å; R266-E270 VanDerWaalsContact O-N 3.13Å |
| 267 | W | 94.9 | Very high | 89.4 | Confident | 14 Ų | 14 | 75.4 Ų | 75.4 | 5% | 0.053 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -61.6 | -44.5 | -179 | -179.6 | 82 | 0 | 0 | 0 | 111.9 | F165 E168 L169 L207 L210 V263 A264 S269 E270 L271 | F165-W267 HydrophobicContact CB-CH2 3.66Å; F165-W267 HydrophobicContact CB-CZ2 4.09Å; F165-W267 AromaticContact CD1-CH2 3.89Å; F165-W267 HydrophobicContact CD1-CH2 3.89Å; F165-W267 HydrophobicContact CD1-CZ2 4.09Å; F165-W267 AromaticContact CG-CH2 3.84Å; F165-W267 HydrophobicContact CG-CH2 3.84Å; F165-W267 HydrophobicContact CG-CZ2 4.37Å; E168-W267 HydrophobicContact CB-CZ2 4.36Å; E168-W267 WeakPolarHBondContact OE2-CZ2 3.34Å; E168-W267 PolarHBondContact OE2-NE1 3.48Å; L169-W267 HydrophobicContact CD1-CD2 4.31Å; L169-W267 HydrophobicContact CD1-CE3 4.09Å; L169-W267 HydrophobicContact CD1-CZ3 4.29Å; L169-W267 HydrophobicContact CD2-CB 3.64Å; L169-W267 HydrophobicContact CD2-CD2 3.66Å; L169-W267 HydrophobicContact CD2-CE3 4.09Å; L169-W267 HydrophobicContact CD2-CG 3.45Å; L169-W267 VanDerWaalsContact CD2-CG 3.45Å; L169-W267 HydrophobicContact CG-CD2 3.92Å; L169-W267 HydrophobicContact CG-CE3 4.22Å; L169-W267 HydrophobicContact CG-CG 4.18Å; L207-W267 HydrophobicContact CD2-CH2 3.79Å; L207-W267 HydrophobicContact CD2-CZ3 3.88Å; L210-W267 HydrophobicContact CD2-CH2 3.95Å; L210-W267 HydrophobicContact CD2-CZ3 3.69Å; V263-W267 PolarHBondContact O-N 2.87Å; A264-W267 PolarHBondContact O-N 3.43Å; A264-W267 VanDerWaalsContact O-N 3.07Å; W267-S269 VanDerWaalsContact C-N 3.28Å; W267-S269 PolarHBondContact O-N 3.45Å; W267-E270 PolarHBondContact O-N 3.31Å; W267-E270 VanDerWaalsContact O-N 3.11Å; W267-L271 HydrophobicContact CE3-CD1 4.09Å; W267-L271 HydrophobicContact CH2-CD1 3.72Å; W267-L271 HydrophobicContact CH2-CD2 4.32Å; W267-L271 HydrophobicContact CH2-CG 4.46Å; W267-L271 HydrophobicContact CZ2-CD1 4.27Å; W267-L271 HydrophobicContact CZ2-CD2 4.06Å; W267-L271 HydrophobicContact CZ3-CD1 3.62Å; W267-L271 HydrophobicContact CZ3-CG 4.47Å; W267-L271 PolarHBondContact O-N 3.44Å |
| 268 | F | 93.9 | Very high | 91.2 | Very high | 10 Ų | 10 | 68.8 Ų | 68.8 | 4% | 0.044 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61 | -35.5 | 174.4 | -84.1 | -73.5 | 0 | 0 | 0 | 112.4 | L207 L210 Q211 A264 R266 E270 L271 M275 V278 | L207-F268 HydrophobicContact CB-CE1 4.3Å; L207-F268 HydrophobicContact CD2-CE1 3.86Å; L210-F268 HydrophobicContact CB-CZ 4.44Å; L210-F268 HydrophobicContact CD2-CZ 4.19Å; L210-F268 HydrophobicContact CG-CZ 4.2Å; Q211-F268 HydrophobicContact CB-CE1 4.36Å; Q211-F268 HydrophobicContact CB-CE2 4.17Å; Q211-F268 HydrophobicContact CB-CZ 3.75Å; Q211-F268 HydrophobicContact CG-CE2 4.48Å; Q211-F268 HydrophobicContact CG-CZ 4.44Å; A264-F268 HydrophobicContact CB-CD2 4.25Å; A264-F268 HydrophobicContact CB-CE2 4.35Å; A264-F268 WeakPolarHBondContact O-CB 3.14Å; A264-F268 WeakPolarHBondContact O-CD2 3.43Å; A264-F268 PolarHBondContact O-N 3.33Å; R266-F268 PolarHBondContact O-N 3.01Å; F268-E270 VanDerWaalsContact C-N 3.28Å; F268-E270 PolarHBondContact O-N 3.08Å; F268-L271 HydrophobicContact CD1-CD1 4.06Å; F268-L271 WeakPolarHBondContact O-CB 3.17Å; F268-L271 PolarHBondContact O-N 3.12Å; F268-M275 HydrophobicContact CB-CE 4.11Å; F268-M275 HydrophobicContact CB-SD 4.4Å; F268-M275 HydrophobicContact CD1-CE 3.9Å; F268-M275 HydrophobicContact CD1-SD 4.11Å; F268-M275 HydrophobicContact CG-CE 4.19Å; F268-V278 HydrophobicContact CE1-CG1 4.49Å |
| 269 | S | 92.3 | Very high | 92.4 | Very high | 102 Ų | 102 | 69 Ų | 69 | 71% | 0.713 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -69.9 | -24.7 | 176.8 | -58.4 | 0 | 0 | 0 | 0 | 113.2 | D265 R266 W267 L271 | D265-S269 WeakPolarHBondContact O-CB 3.47Å; D265-S269 PolarHBondContact O-N 3.47Å; D265-S269 PolarHBondContact O-OG 2.94Å; R266-S269 WeakPolarHBondContact O-CB 3.46Å; R266-S269 PolarHBondContact O-N 3.23Å; R266-S269 VanDerWaalsContact O-N 3.15Å; W267-S269 VanDerWaalsContact C-N 3.28Å; W267-S269 PolarHBondContact O-N 3.45Å; S269-L271 VanDerWaalsContact C-N 3.32Å |
| 270 | E | 93.7 | Very high | 93.1 | Very high | 121 Ų | 121 | 67.5 Ų | 67.5 | 57% | 0.565 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -81.8 | -12.9 | 176.5 | -68.7 | 173.2 | -173 | 0 | 0 | 112 | R266 W267 F268 | R266-E270 IonicContact CZ-OE1 3.76Å; R266-E270 IonicContact NE-OE1 2.98Å; R266-E270 PolarHBondContact NE-OE1 2.89Å; R266-E270 IonicContact NH2-OE1 3.63Å; R266-E270 WeakPolarHBondContact O-CG 3.12Å; R266-E270 PolarHBondContact O-N 2.89Å; R266-E270 VanDerWaalsContact O-N 3.13Å; W267-E270 PolarHBondContact O-N 3.31Å; W267-E270 VanDerWaalsContact O-N 3.11Å; F268-E270 VanDerWaalsContact C-N 3.28Å; F268-E270 PolarHBondContact O-N 3.08Å |
| 271 | L | 93.2 | Very high | 93.7 | Very high | 41 Ų | 41 | 67.1 Ų | 67.1 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -78.4 | 133.3 | 176.5 | -61.7 | -179.3 | 0 | 0 | 0 | 111.9 | L207 W267 F268 S269 V273 | L207-L271 HydrophobicContact CD1-CD1 4.31Å; L207-L271 HydrophobicContact CD2-CD1 3.65Å; W267-L271 HydrophobicContact CE3-CD1 4.09Å; W267-L271 HydrophobicContact CH2-CD1 3.72Å; W267-L271 HydrophobicContact CH2-CD2 4.32Å; W267-L271 HydrophobicContact CH2-CG 4.46Å; W267-L271 HydrophobicContact CZ2-CD1 4.27Å; W267-L271 HydrophobicContact CZ2-CD2 4.06Å; W267-L271 HydrophobicContact CZ3-CD1 3.62Å; W267-L271 HydrophobicContact CZ3-CG 4.47Å; W267-L271 PolarHBondContact O-N 3.44Å; F268-L271 HydrophobicContact CD1-CD1 4.06Å; F268-L271 WeakPolarHBondContact O-CB 3.17Å; F268-L271 PolarHBondContact O-N 3.12Å; S269-L271 VanDerWaalsContact C-N 3.32Å; L271-V273 HydrophobicContact CB-CB 4.34Å; L271-V273 HydrophobicContact CB-CG2 4.14Å; L271-V273 PolarHBondContact O-N 3.29Å |
| 272 | N | 92.5 | Very high | 94.2 | Very high | 172 Ų | 172 | 66 Ų | 66 | 92% | 0.92 | 33% | 0.329 | S | S | * | . | trans | -81.6 | 64.1 | 169 | -173.5 | 34.2 | 0 | 0 | 0 | 110.9 | ||||
| 273 | V | 93.2 | Very high | 94.5 | Very high | 34 Ų | 34 | 67.2 Ų | 67.2 | 21% | 0.206 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -131.2 | 143.3 | -176.9 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | Y203 I204 L207 L271 M275 V278 | Y203-V273 HydrophobicContact CE2-CG1 4.46Å; Y203-V273 HydrophobicContact CE2-CG2 4.26Å; I204-V273 HydrophobicContact CD1-CG1 3.37Å; L207-V273 HydrophobicContact CD1-CB 4.33Å; L207-V273 HydrophobicContact CD1-CG1 3.86Å; L207-V273 HydrophobicContact CD1-CG2 3.98Å; L271-V273 HydrophobicContact CB-CB 4.34Å; L271-V273 HydrophobicContact CB-CG2 4.14Å; L271-V273 PolarHBondContact O-N 3.29Å; V273-M275 PolarHBondContact O-N 3.3Å; V273-M275 VanDerWaalsContact O-N 3.08Å; V273-V278 HydrophobicContact CG1-CG2 3.81Å |
| 274 | D | 94.1 | Very high | 94.9 | Very high | 78 Ų | 78 | 68.5 Ų | 68.5 | 42% | 0.417 | 33% | 0.33 | S | S | . | . | trans | -68.6 | 103.6 | 172.1 | -175.1 | -6.9 | 0 | 0 | 0 | 110.8 | E276 R277 V278 | D274-E276 PolarHBondContact O-N 3.44Å; D274-E276 VanDerWaalsContact OD1-CB 3.29Å; D274-E276 WeakPolarHBondContact OD1-CB 3.39Å; D274-E276 PolarHBondContact OD1-N 2.99Å; D274-R277 HydrophobicContact CB-CB 4.49Å; D274-R277 HydrophobicContact CB-CG 4Å; D274-R277 PolarHBondContact O-N 3.26Å; D274-R277 WeakPolarHBondContact OD2-CG 3.2Å; D274-R277 IonicContact OD2-NE 3.44Å; D274-V278 PolarHBondContact O-N 3.25Å | ||
| 275 | M | 93.7 | Very high | 95.2 | Very high | 61 Ų | 61 | 68.5 Ų | 68.5 | 30% | 0.3 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.2 | -22.5 | -179.7 | -69.1 | -57.3 | -64.3 | 0 | 0 | 113.1 | F268 V273 V278 L279 | F268-M275 HydrophobicContact CB-CE 4.11Å; F268-M275 HydrophobicContact CB-SD 4.4Å; F268-M275 HydrophobicContact CD1-CE 3.9Å; F268-M275 HydrophobicContact CD1-SD 4.11Å; F268-M275 HydrophobicContact CG-CE 4.19Å; V273-M275 PolarHBondContact O-N 3.3Å; V273-M275 VanDerWaalsContact O-N 3.08Å; M275-V278 HydrophobicContact CE-CG1 4.41Å; M275-V278 PolarHBondContact O-N 3.07Å; M275-V278 HydrophobicContact SD-CG2 4.4Å; M275-L279 WeakPolarHBondContact O-CB 3.36Å; M275-L279 VanDerWaalsContact O-CG 3.28Å; M275-L279 WeakPolarHBondContact O-CG 3.47Å; M275-L279 PolarHBondContact O-N 2.84Å |
| 276 | E | 96 | Very high | 95.5 | Very high | 121 Ų | 121 | 68.5 Ų | 68.5 | 57% | 0.565 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64.1 | -44.9 | 175.3 | -174.1 | 171.5 | -165.9 | 0 | 0 | 110.4 | D274 V278 L279 E280 | D274-E276 PolarHBondContact O-N 3.44Å; D274-E276 VanDerWaalsContact OD1-CB 3.29Å; D274-E276 WeakPolarHBondContact OD1-CB 3.39Å; D274-E276 PolarHBondContact OD1-N 2.99Å; E276-V278 VanDerWaalsContact C-N 3.35Å; E276-V278 PolarHBondContact O-N 3.37Å; E276-L279 PolarHBondContact O-N 2.92Å; E276-E280 WeakPolarHBondContact O-CG 3.45Å; E276-E280 PolarHBondContact O-N 3.4Å |
| 277 | R | 96.4 | Very high | 95.7 | Very high | 123 Ų | 123 | 64.6 Ų | 64.6 | 46% | 0.464 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 176 | -56.9 | -61.9 | -177.5 | 116.9 | -2.8 | 112.2 | I204 D274 L279 E280 I281 | I204-R277 HydrophobicContact CG2-CB 3.99Å; D274-R277 HydrophobicContact CB-CB 4.49Å; D274-R277 HydrophobicContact CB-CG 4Å; D274-R277 PolarHBondContact O-N 3.26Å; D274-R277 WeakPolarHBondContact OD2-CG 3.2Å; D274-R277 IonicContact OD2-NE 3.44Å; R277-L279 VanDerWaalsContact C-N 3.35Å; R277-E280 VanDerWaalsContact CD-OE2 3.23Å; R277-E280 WeakPolarHBondContact CD-OE2 3.18Å; R277-E280 WeakPolarHBondContact O-CB 3.27Å; R277-E280 PolarHBondContact O-N 2.92Å; R277-I281 PolarHBondContact O-N 3.44Å |
| 278 | V | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 175.3 | 176.5 | 0 | 0 | 0 | 0 | 110.3 | I204 L207 Q211 F268 V273 D274 M275 E276 E280 I281 S282 | I204-V278 HydrophobicContact CD1-CG2 4.31Å; L207-V278 HydrophobicContact CB-CG1 4.07Å; L207-V278 HydrophobicContact CB-CG2 3.97Å; L207-V278 HydrophobicContact CD1-CG2 4.29Å; Q211-V278 HydrophobicContact CB-CG1 4.47Å; F268-V278 HydrophobicContact CE1-CG1 4.49Å; V273-V278 HydrophobicContact CG1-CG2 3.81Å; D274-V278 PolarHBondContact O-N 3.25Å; M275-V278 HydrophobicContact CE-CG1 4.41Å; M275-V278 PolarHBondContact O-N 3.07Å; M275-V278 HydrophobicContact SD-CG2 4.4Å; E276-V278 VanDerWaalsContact C-N 3.35Å; E276-V278 PolarHBondContact O-N 3.37Å; V278-E280 VanDerWaalsContact C-N 3.32Å; V278-E280 PolarHBondContact O-N 3.11Å; V278-I281 WeakPolarHBondContact O-CB 3.45Å; V278-I281 PolarHBondContact O-N 3.41Å; V278-S282 PolarHBondContact O-N 3.36Å |
| 279 | L | 96.3 | Very high | 96 | Very high | 66 Ų | 66 | 67.1 Ų | 67.1 | 35% | 0.346 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67 | -30.5 | 177.3 | -71.4 | 169 | 0 | 0 | 0 | 112.8 | M275 E276 R277 I281 S282 R283 | M275-L279 WeakPolarHBondContact O-CB 3.36Å; M275-L279 VanDerWaalsContact O-CG 3.28Å; M275-L279 WeakPolarHBondContact O-CG 3.47Å; M275-L279 PolarHBondContact O-N 2.84Å; E276-L279 PolarHBondContact O-N 2.92Å; R277-L279 VanDerWaalsContact C-N 3.35Å; L279-I281 VanDerWaalsContact C-N 3.34Å; L279-S282 PolarHBondContact O-N 3.27Å; L279-R283 WeakPolarHBondContact O-CG 3.47Å; L279-R283 PolarHBondContact O-N 3.39Å |
| 280 | E | 98.1 | Very high | 96.2 | Very high | 48 Ų | 48 | 66.7 Ų | 66.7 | 22% | 0.224 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 172.3 | -74.7 | 173.3 | 159.3 | 0 | 0 | 112 | Y200 E276 R277 V278 S282 R283 H284 | Y200-E280 HydrophobicContact CE1-CB 4.32Å; Y200-E280 VanDerWaalsContact CE1-OE2 3.23Å; Y200-E280 WeakPolarHBondContact CE1-OE2 3.45Å; Y200-E280 PolarHBondContact OH-OE2 3.45Å; E276-E280 WeakPolarHBondContact O-CG 3.45Å; E276-E280 PolarHBondContact O-N 3.4Å; R277-E280 VanDerWaalsContact CD-OE2 3.23Å; R277-E280 WeakPolarHBondContact CD-OE2 3.18Å; R277-E280 WeakPolarHBondContact O-CB 3.27Å; R277-E280 PolarHBondContact O-N 2.92Å; V278-E280 VanDerWaalsContact C-N 3.32Å; V278-E280 PolarHBondContact O-N 3.11Å; E280-S282 VanDerWaalsContact C-N 3.34Å; E280-S282 PolarHBondContact O-N 3.03Å; E280-R283 WeakPolarHBondContact O-CB 3.42Å; E280-R283 PolarHBondContact O-N 3.44Å; E280-H284 PolarHBondContact O-N 2.96Å; E280-H284 PolarHBondContact O-ND1 3.05Å |
| 281 | I | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.7 | -47.7 | 174.8 | -55.8 | -57.4 | 0 | 0 | 0 | 110.7 | V196 Y200 I204 I205 R277 V278 L279 R283 H284 L285 | V196-I281 HydrophobicContact CB-CD1 3.9Å; V196-I281 HydrophobicContact CG1-CD1 3.89Å; Y200-I281 HydrophobicContact CD1-CD1 3.98Å; Y200-I281 HydrophobicContact CD2-CD1 3.48Å; Y200-I281 VanDerWaalsContact CD2-CD1 3.48Å; Y200-I281 HydrophobicContact CE1-CD1 4.47Å; Y200-I281 HydrophobicContact CE2-CD1 4.04Å; Y200-I281 HydrophobicContact CG-CD1 3.46Å; Y200-I281 VanDerWaalsContact CG-CD1 3.46Å; I204-I281 HydrophobicContact CG2-CD1 4.36Å; I204-I281 HydrophobicContact CG2-CG1 3.94Å; I205-I281 HydrophobicContact CG1-CD1 4Å; I205-I281 HydrophobicContact CG2-CG2 4.47Å; R277-I281 PolarHBondContact O-N 3.44Å; V278-I281 WeakPolarHBondContact O-CB 3.45Å; V278-I281 PolarHBondContact O-N 3.41Å; L279-I281 VanDerWaalsContact C-N 3.34Å; I281-R283 VanDerWaalsContact C-N 3.29Å; I281-R283 PolarHBondContact O-N 3.13Å; I281-H284 PolarHBondContact O-N 3.11Å; I281-H284 VanDerWaalsContact O-N 3.12Å; I281-L285 HydrophobicContact CG2-CD1 4.42Å; I281-L285 PolarHBondContact O-N 3.48Å |
| 282 | S | 96.4 | Very high | 96.2 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 8% | 0.077 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58 | -41.9 | 177 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | G208 Q211 V278 L279 E280 H284 L285 L286 | G208-S282 PolarHBondContact O-OG 2.99Å; Q211-S282 PolarHBondContact OE1-OG 2.75Å; V278-S282 PolarHBondContact O-N 3.36Å; L279-S282 PolarHBondContact O-N 3.27Å; E280-S282 VanDerWaalsContact C-N 3.34Å; E280-S282 PolarHBondContact O-N 3.03Å; S282-H284 PolarHBondContact O-N 3.35Å; S282-L285 PolarHBondContact O-N 2.79Å; S282-L286 VanDerWaalsContact O-CG 3.32Å; S282-L286 WeakPolarHBondContact O-CG 3.44Å; S282-L286 PolarHBondContact O-N 3.29Å |
| 283 | R | 98 | Very high | 96.3 | Very high | 141 Ų | 141 | 64.6 Ų | 64.6 | 53% | 0.532 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 175.1 | -69.8 | 174.1 | -172.2 | 116.7 | -2.7 | 112.7 | L279 E280 I281 L286 S287 | L279-R283 WeakPolarHBondContact O-CG 3.47Å; L279-R283 PolarHBondContact O-N 3.39Å; E280-R283 WeakPolarHBondContact O-CB 3.42Å; E280-R283 PolarHBondContact O-N 3.44Å; I281-R283 VanDerWaalsContact C-N 3.29Å; I281-R283 PolarHBondContact O-N 3.13Å; R283-L286 PolarHBondContact O-N 2.8Å; R283-S287 WeakPolarHBondContact O-CB 3.23Å; R283-S287 PolarHBondContact O-N 3.45Å |
| 284 | H | 98.1 | Very high | 96.3 | Very high | 48 Ų | 48 | 70 Ų | 70 | 22% | 0.222 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.4 | -40.9 | 176.2 | -73.2 | 83.1 | 0 | 0 | 0 | 111.7 | T194 V196 E280 I281 S282 S287 L288 | T194-H284 HydrophobicContact CG2-CB 4.45Å; V196-H284 HydrophobicContact CG1-CB 3.58Å; E280-H284 PolarHBondContact O-N 2.96Å; E280-H284 PolarHBondContact O-ND1 3.05Å; I281-H284 PolarHBondContact O-N 3.11Å; I281-H284 VanDerWaalsContact O-N 3.12Å; S282-H284 PolarHBondContact O-N 3.35Å; H284-S287 PolarHBondContact O-N 3.15Å; H284-L288 WeakPolarHBondContact O-CB 3.43Å; H284-L288 PolarHBondContact O-N 3.24Å |
| 285 | L | 98.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 175.7 | -72 | 173.5 | 0 | 0 | 0 | 112.1 | L187 D190 L212 I281 S282 S287 L288 Y289 | L187-L285 HydrophobicContact CB-CD1 4.43Å; D190-L285 HydrophobicContact CB-CD2 4.26Å; L212-L285 HydrophobicContact CD2-CB 3.96Å; L212-L285 HydrophobicContact CD2-CD1 3.91Å; I281-L285 HydrophobicContact CG2-CD1 4.42Å; I281-L285 PolarHBondContact O-N 3.48Å; S282-L285 PolarHBondContact O-N 2.79Å; L285-S287 PolarHBondContact O-N 3.07Å; L285-L288 WeakPolarHBondContact O-CB 3.28Å; L285-L288 PolarHBondContact O-N 2.73Å; L285-Y289 HydrophobicContact CB-CE2 4.24Å; L285-Y289 WeakPolarHBondContact O-CD2 3.15Å; L285-Y289 PolarHBondContact O-N 3.28Å |
| 286 | L | 97 | Very high | 96.3 | Very high | 87 Ų | 87 | 68.2 Ų | 68.2 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 175.6 | -67.8 | 174.9 | 0 | 0 | 0 | 111.5 | L212 S282 R283 L288 Y289 D290 | L212-L286 HydrophobicContact CD1-CD2 4.36Å; S282-L286 VanDerWaalsContact O-CG 3.32Å; S282-L286 WeakPolarHBondContact O-CG 3.44Å; S282-L286 PolarHBondContact O-N 3.29Å; R283-L286 PolarHBondContact O-N 2.8Å; L286-L288 VanDerWaalsContact C-N 3.28Å; L286-L288 PolarHBondContact O-N 2.68Å; L286-Y289 PolarHBondContact O-N 3.46Å; L286-Y289 VanDerWaalsContact O-N 3.13Å; L286-D290 PolarHBondContact O-N 2.73Å |
| 287 | S | 97.6 | Very high | 96.1 | Very high | 77 Ų | 77 | 63.6 Ų | 63.6 | 54% | 0.538 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.3 | -36.2 | 174.6 | -176 | 0 | 0 | 0 | 0 | 112.4 | R283 H284 L285 L291 | R283-S287 WeakPolarHBondContact O-CB 3.23Å; R283-S287 PolarHBondContact O-N 3.45Å; H284-S287 PolarHBondContact O-N 3.15Å; L285-S287 PolarHBondContact O-N 3.07Å; S287-L291 WeakPolarHBondContact O-CB 3.37Å; S287-L291 PolarHBondContact O-N 3.47Å |
| 288 | L | 97.7 | Very high | 95.9 | Very high | 12 Ų | 12 | 62.8 Ų | 62.8 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.9 | -48.4 | 172.6 | 169.2 | 68.8 | 0 | 0 | 0 | 110.6 | L43 D190 R193 T194 H284 L285 L286 D290 L291 W292 | L43-L288 HydrophobicContact CD1-CD1 4.08Å; D190-L288 HydrophobicContact CB-CD2 4.26Å; D190-L288 WeakPolarHBondContact O-CD2 3.28Å; R193-L288 HydrophobicContact CB-CD1 3.92Å; R193-L288 HydrophobicContact CB-CD2 3.77Å; T194-L288 HydrophobicContact CG2-CB 3.83Å; T194-L288 HydrophobicContact CG2-CD2 3.85Å; T194-L288 HydrophobicContact CG2-CG 4.29Å; H284-L288 WeakPolarHBondContact O-CB 3.43Å; H284-L288 PolarHBondContact O-N 3.24Å; L285-L288 WeakPolarHBondContact O-CB 3.28Å; L285-L288 PolarHBondContact O-N 2.73Å; L286-L288 VanDerWaalsContact C-N 3.28Å; L286-L288 PolarHBondContact O-N 2.68Å; L288-D290 VanDerWaalsContact C-N 3.33Å; L288-D290 PolarHBondContact O-N 2.84Å; L288-L291 PolarHBondContact O-N 2.91Å; L288-W292 VanDerWaalsContact O-CB 3.32Å; L288-W292 WeakPolarHBondContact O-CB 3.46Å; L288-W292 PolarHBondContact O-N 3.01Å |
| 289 | Y | 97 | Very high | 95.7 | Very high | 66 Ų | 66 | 65.3 Ų | 65.3 | 26% | 0.259 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.5 | -35 | -179.6 | -62.6 | -45.9 | 0 | 0 | 0 | 112.8 | L187 D190 L212 L285 L286 W292 R293 | L187-Y289 HydrophobicContact CD2-CE2 4.15Å; L187-Y289 WeakPolarHBondContact CD2-OH 3.4Å; D190-Y289 WeakPolarHBondContact OD2-CE1 3.44Å; D190-Y289 PolarHBondContact OD2-OH 3.29Å; L212-Y289 HydrophobicContact CD2-CE2 4.45Å; L285-Y289 HydrophobicContact CB-CE2 4.24Å; L285-Y289 WeakPolarHBondContact O-CD2 3.15Å; L285-Y289 PolarHBondContact O-N 3.28Å; L286-Y289 PolarHBondContact O-N 3.46Å; L286-Y289 VanDerWaalsContact O-N 3.13Å; Y289-W292 HydrophobicContact CD1-CE3 4.21Å; Y289-W292 HydrophobicContact CE1-CE3 4.37Å; Y289-W292 HydrophobicContact CE1-CZ3 4.44Å; Y289-W292 PolarHBondContact O-N 3.3Å; Y289-R293 WeakPolarHBondContact O-CB 3.43Å; Y289-R293 PolarHBondContact O-N 3.36Å |
| 290 | D | 96.5 | Very high | 95.6 | Very high | 93 Ų | 93 | 64.5 Ų | 64.5 | 50% | 0.497 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.9 | -38.6 | 173.4 | -74.9 | -28.4 | 0 | 0 | 0 | 112.7 | L286 L288 R294 | L286-D290 PolarHBondContact O-N 2.73Å; L288-D290 VanDerWaalsContact C-N 3.33Å; L288-D290 PolarHBondContact O-N 2.84Å; D290-R294 WeakPolarHBondContact O-CG 3.43Å; D290-R294 PolarHBondContact O-NE 3.36Å |
| 291 | L | 95.2 | Very high | 95.4 | Very high | 17 Ų | 17 | 62.2 Ų | 62.2 | 9% | 0.089 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66 | -48.9 | 172.6 | 177.1 | 57.8 | 0 | 0 | 0 | 110.5 | E36 Q39 K40 S287 L288 R293 R294 F295 | E36-L291 HydrophobicContact CG-CD1 3.46Å; E36-L291 VanDerWaalsContact CG-CD1 3.46Å; Q39-L291 HydrophobicContact CB-CD2 3.98Å; K40-L291 HydrophobicContact CG-CD1 4.11Å; K40-L291 HydrophobicContact CG-CD2 4.5Å; S287-L291 WeakPolarHBondContact O-CB 3.37Å; S287-L291 PolarHBondContact O-N 3.47Å; L288-L291 PolarHBondContact O-N 2.91Å; L291-R293 VanDerWaalsContact C-N 3.31Å; L291-R293 PolarHBondContact O-N 2.75Å; L291-R294 CarbonylContact O-C 3.53Å; L291-R294 PolarHBondContact O-N 3.47Å; L291-F295 VanDerWaalsContact O-CB 3.3Å; L291-F295 WeakPolarHBondContact O-CB 3.46Å; L291-F295 PolarHBondContact O-N 3.37Å |
| 292 | W | 92.1 | Very high | 95.1 | Very high | 54 Ų | 54 | 63.6 Ų | 63.6 | 21% | 0.205 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.5 | -38.2 | -176.1 | -157.5 | -4.4 | 0 | 0 | 0 | 112.1 | L288 Y289 R294 F295 | L288-W292 VanDerWaalsContact O-CB 3.32Å; L288-W292 WeakPolarHBondContact O-CB 3.46Å; L288-W292 PolarHBondContact O-N 3.01Å; Y289-W292 HydrophobicContact CD1-CE3 4.21Å; Y289-W292 HydrophobicContact CE1-CE3 4.37Å; Y289-W292 HydrophobicContact CE1-CZ3 4.44Å; Y289-W292 PolarHBondContact O-N 3.3Å; W292-R294 VanDerWaalsContact C-N 3.26Å; W292-R294 PolarHBondContact O-N 3.3Å; W292-F295 PolarHBondContact O-N 3.36Å |
| 293 | R | 94.7 | Very high | 94.9 | Very high | 218 Ų | 218 | 66.6 Ų | 66.6 | 82% | 0.823 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.6 | -33.2 | 174.4 | 176.6 | -179.8 | -84.1 | -178.1 | -4.4 | 113 | Y289 L291 | Y289-R293 WeakPolarHBondContact O-CB 3.43Å; Y289-R293 PolarHBondContact O-N 3.36Å; L291-R293 VanDerWaalsContact C-N 3.31Å; L291-R293 PolarHBondContact O-N 2.75Å |
| 294 | R | 93.2 | Very high | 94.6 | Very high | 148 Ų | 148 | 60.2 Ų | 60.2 | 56% | 0.558 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -95.9 | -7.8 | -177.8 | -63.1 | -176.2 | -61.6 | 124.3 | 0.7 | 113.3 | E36 D290 L291 W292 D296 | E36-R294 IonicContact OE1-NH1 3.77Å; E36-R294 IonicContact OE1-NH2 2.85Å; E36-R294 IonicContact OE2-CZ 3.79Å; E36-R294 IonicContact OE2-NH1 2.78Å; E36-R294 PolarHBondContact OE2-NH1 3.37Å; E36-R294 IonicContact OE2-NH2 2.94Å; E36-R294 PolarHBondContact OE2-NH2 3Å; D290-R294 WeakPolarHBondContact O-CG 3.43Å; D290-R294 PolarHBondContact O-NE 3.36Å; L291-R294 CarbonylContact O-C 3.53Å; L291-R294 PolarHBondContact O-N 3.47Å; W292-R294 VanDerWaalsContact C-N 3.26Å; W292-R294 PolarHBondContact O-N 3.3Å; R294-D296 PolarHBondContact O-N 3.4Å |
| 295 | F | 93.2 | Very high | 94.3 | Very high | 13 Ų | 13 | 58.5 Ų | 58.5 | 6% | 0.057 | 29% | 0.287 | C | S | . | . | trans | -87.8 | 109.6 | -173.2 | 176.8 | -144 | 0 | 0 | 0 | 111.1 | K40 L43 L291 W292 E297 E300 M301 | K40-F295 HydrophobicContact CB-CD2 4.46Å; K40-F295 HydrophobicContact CB-CE2 4.09Å; K40-F295 HydrophobicContact CB-CZ 4.25Å; K40-F295 HydrophobicContact CD-CD2 3.77Å; K40-F295 HydrophobicContact CD-CE2 4.01Å; K40-F295 HydrophobicContact CG-CD2 3.9Å; K40-F295 HydrophobicContact CG-CE2 4.03Å; K40-F295 HydrophobicContact CG-CG 4.26Å; K40-F295 HydrophobicContact CG-CZ 4.5Å; L43-F295 HydrophobicContact CD2-CD1 3.74Å; L43-F295 HydrophobicContact CD2-CE1 4.02Å; L43-F295 HydrophobicContact CG-CE1 4.46Å; L291-F295 VanDerWaalsContact O-CB 3.3Å; L291-F295 WeakPolarHBondContact O-CB 3.46Å; L291-F295 PolarHBondContact O-N 3.37Å; W292-F295 PolarHBondContact O-N 3.36Å; F295-E297 HydrophobicContact CE1-CB 4.01Å; F295-E297 HydrophobicContact CE1-CG 4.19Å; F295-E297 HydrophobicContact CE2-CB 4.23Å; F295-E297 HydrophobicContact CZ-CB 3.79Å; F295-E297 HydrophobicContact CZ-CG 3.85Å; F295-E297 PolarHBondContact O-N 3.45Å; F295-E300 HydrophobicContact CE2-CB 4.22Å; F295-M301 HydrophobicContact CE2-CE 3.57Å; F295-M301 HydrophobicContact CE2-CG 4.09Å; F295-M301 HydrophobicContact CZ-CE 3.44Å; F295-M301 VanDerWaalsContact CZ-CE 3.44Å; F295-M301 HydrophobicContact CZ-CG 3.7Å; F295-M301 HydrophobicContact CZ-SD 4.29Å | ||
| 296 | D | 94.7 | Very high | 93.9 | Very high | 88 Ų | 88 | 61.1 Ų | 61.1 | 47% | 0.471 | 30% | 0.301 | S | S | . | . | trans | -94 | 86.2 | 170.6 | -171.7 | -12.9 | 0 | 0 | 0 | 109.5 | R294 L298 A299 E300 | R294-D296 PolarHBondContact O-N 3.4Å; D296-L298 VanDerWaalsContact C-N 3.27Å; D296-L298 PolarHBondContact O-N 3.14Å; D296-L298 PolarHBondContact OD1-N 3.27Å; D296-A299 HydrophobicContact CB-CB 4.08Å; D296-A299 VanDerWaalsContact CG-CB 3.5Å; D296-A299 PolarHBondContact O-N 3.41Å; D296-A299 PolarHBondContact OD1-N 3.44Å; D296-A299 WeakPolarHBondContact OD2-CB 3.21Å; D296-E300 PolarHBondContact N-OE1 3.01Å; D296-E300 VanDerWaalsContact O-CB 3.3Å; D296-E300 WeakPolarHBondContact O-CB 3.25Å; D296-E300 WeakPolarHBondContact O-CG 3.19Å; D296-E300 PolarHBondContact O-N 2.91Å | ||
| 297 | E | 92.9 | Very high | 93.3 | Very high | 24 Ų | 24 | 64.4 Ų | 64.4 | 11% | 0.112 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -50.7 | -45.1 | -177.5 | -170.6 | -167.7 | 128.4 | 0 | 0 | 112.8 | F44 F295 A299 M301 | F44-E297 HydrophobicContact CD2-CG 3.9Å; F44-E297 HydrophobicContact CE2-CG 4.34Å; F44-E297 WeakPolarHBondContact CE2-OE1 3.44Å; F295-E297 HydrophobicContact CE1-CB 4.01Å; F295-E297 HydrophobicContact CE1-CG 4.19Å; F295-E297 HydrophobicContact CE2-CB 4.23Å; F295-E297 HydrophobicContact CZ-CB 3.79Å; F295-E297 HydrophobicContact CZ-CG 3.85Å; F295-E297 PolarHBondContact O-N 3.45Å; E297-A299 VanDerWaalsContact C-N 3.35Å; E297-A299 PolarHBondContact O-N 3.19Å; E297-M301 HydrophobicContact CG-CB 4.36Å; E297-M301 HydrophobicContact CG-CG 3.77Å; E297-M301 WeakPolarHBondContact O-CB 3.37Å; E297-M301 PolarHBondContact O-N 3.35Å |
| 298 | L | 91.6 | Very high | 92.9 | Very high | 107 Ų | 107 | 63.2 Ų | 63.2 | 56% | 0.56 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -71.5 | -30.5 | -174.7 | -66.2 | 176.6 | 0 | 0 | 0 | 112.5 | I123 D296 P302 | I123-L298 HydrophobicContact CD1-CD2 3.91Å; D296-L298 VanDerWaalsContact C-N 3.27Å; D296-L298 PolarHBondContact O-N 3.14Å; D296-L298 PolarHBondContact OD1-N 3.27Å; L298-P302 WeakPolarHBondContact O-CD 3.33Å; L298-P302 WeakPolarHBondContact O-CG 3.48Å |
| 299 | A | 92.9 | Very high | 92.3 | Very high | 52 Ų | 52 | 64 Ų | 64 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -84 | -37.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | D296 E297 N303 | D296-A299 HydrophobicContact CB-CB 4.08Å; D296-A299 VanDerWaalsContact CG-CB 3.5Å; D296-A299 PolarHBondContact O-N 3.41Å; D296-A299 PolarHBondContact OD1-N 3.44Å; D296-A299 WeakPolarHBondContact OD2-CB 3.21Å; E297-A299 VanDerWaalsContact C-N 3.35Å; E297-A299 PolarHBondContact O-N 3.19Å; A299-N303 PolarHBondContact O-ND2 2.98Å |
| 300 | E | 94 | Very high | 91.2 | Very high | 49 Ų | 49 | 65.3 Ų | 65.3 | 23% | 0.229 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -92.4 | -45.6 | -170 | -63.8 | -175.6 | -109.6 | 0 | 0 | 113 | K40 F295 D296 N303 I304 | K40-E300 WeakPolarHBondContact CE-OE2 3.01Å; K40-E300 IonicContact NZ-OE1 2.63Å; K40-E300 IonicContact NZ-OE2 3.48Å; K40-E300 PolarHBondContact NZ-OE2 2.95Å; F295-E300 HydrophobicContact CE2-CB 4.22Å; D296-E300 PolarHBondContact N-OE1 3.01Å; D296-E300 VanDerWaalsContact O-CB 3.3Å; D296-E300 WeakPolarHBondContact O-CB 3.25Å; D296-E300 WeakPolarHBondContact O-CG 3.19Å; D296-E300 PolarHBondContact O-N 2.91Å; E300-N303 WeakPolarHBondContact O-CB 3.39Å; E300-N303 PolarHBondContact O-N 3.44Å; E300-N303 VanDerWaalsContact O-N 3.13Å; E300-I304 HydrophobicContact CB-CD1 4.38Å; E300-I304 PolarHBondContact O-N 2.99Å; E300-I304 VanDerWaalsContact O-N 3.09Å |
| 301 | M | 94.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.6 | -38.7 | -172.4 | -77.8 | -67.3 | 129.1 | 0 | 0 | 114.4 | K40 F44 Y124 F295 E297 N303 I304 L305 | K40-M301 VanDerWaalsContact C-CE 3.46Å; K40-M301 HydrophobicContact CB-CE 3.39Å; K40-M301 WeakPolarHBondContact O-CE 3.44Å; F44-M301 HydrophobicContact CB-CE 4.42Å; F44-M301 HydrophobicContact CB-CG 4.22Å; F44-M301 HydrophobicContact CB-SD 3.7Å; F44-M301 HydrophobicContact CD1-SD 4.44Å; F44-M301 HydrophobicContact CD2-CB 4.41Å; F44-M301 HydrophobicContact CD2-CG 3.76Å; F44-M301 HydrophobicContact CD2-SD 4.18Å; F44-M301 HydrophobicContact CE2-CG 4.38Å; F44-M301 HydrophobicContact CG-CG 4.06Å; F44-M301 HydrophobicContact CG-SD 3.84Å; Y124-M301 HydrophobicContact CE1-CB 3.55Å; Y124-M301 WeakPolarHBondContact OH-CB 3.29Å; F295-M301 HydrophobicContact CE2-CE 3.57Å; F295-M301 HydrophobicContact CE2-CG 4.09Å; F295-M301 HydrophobicContact CZ-CE 3.44Å; F295-M301 VanDerWaalsContact CZ-CE 3.44Å; F295-M301 HydrophobicContact CZ-CG 3.7Å; F295-M301 HydrophobicContact CZ-SD 4.29Å; E297-M301 HydrophobicContact CG-CB 4.36Å; E297-M301 HydrophobicContact CG-CG 3.77Å; E297-M301 WeakPolarHBondContact O-CB 3.37Å; E297-M301 PolarHBondContact O-N 3.35Å; M301-N303 PolarHBondContact O-N 3.35Å; M301-I304 HydrophobicContact CE-CD1 3.65Å; M301-I304 PolarHBondContact O-N 3.43Å; M301-L305 HydrophobicContact CB-CD1 4.43Å; M301-L305 WeakPolarHBondContact O-CB 3.39Å; M301-L305 WeakPolarHBondContact O-CG 3.45Å; M301-L305 PolarHBondContact O-N 2.92Å; M301-L305 HydrophobicContact SD-CD1 4.21Å; M301-L305 HydrophobicContact SD-CG 4.1Å |
| 302 | P | 92.3 | Very high | 89.3 | Confident | 30 Ų | 30 | 66.1 Ų | 66.1 | 20% | 0.195 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.7 | -36.1 | 176.3 | -27 | 36.4 | 0 | 0 | 0 | 112 | I123 Y124 L298 L306 | I123-P302 HydrophobicContact CD1-CG 4.24Å; Y124-P302 HydrophobicContact CD1-CG 4.47Å; Y124-P302 HydrophobicContact CE1-CB 4.46Å; Y124-P302 HydrophobicContact CE1-CG 3.82Å; L298-P302 WeakPolarHBondContact O-CD 3.33Å; L298-P302 WeakPolarHBondContact O-CG 3.48Å; P302-L306 HydrophobicContact CB-CD1 4.32Å; P302-L306 WeakPolarHBondContact O-CB 3.36Å; P302-L306 VanDerWaalsContact O-CG 3.26Å; P302-L306 WeakPolarHBondContact O-CG 3.41Å; P302-L306 PolarHBondContact O-N 3.31Å |
| 303 | N | 91.1 | Very high | 87.9 | Confident | 74 Ų | 74 | 70.5 Ų | 70.5 | 40% | 0.396 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.3 | -45.7 | 176 | -70.2 | -59 | 0 | 0 | 0 | 111.4 | A299 E300 M301 K307 | A299-N303 PolarHBondContact O-ND2 2.98Å; E300-N303 WeakPolarHBondContact O-CB 3.39Å; E300-N303 PolarHBondContact O-N 3.44Å; E300-N303 VanDerWaalsContact O-N 3.13Å; M301-N303 PolarHBondContact O-N 3.35Å; N303-K307 VanDerWaalsContact O-CB 3.24Å; N303-K307 WeakPolarHBondContact O-CB 3.43Å; N303-K307 PolarHBondContact O-N 3.19Å; N303-K307 VanDerWaalsContact O-N 3.12Å; N303-K307 PolarHBondContact OD1-NZ 3.2Å |
| 304 | I | 93.1 | Very high | 86.4 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -65.4 | -53.4 | -178.9 | -65 | 167.1 | 0 | 0 | 0 | 110.9 | L32 E37 V41 E300 M301 K308 L309 | L32-I304 HydrophobicContact CD2-CG2 3.68Å; E37-I304 HydrophobicContact CB-CD1 4.47Å; E37-I304 HydrophobicContact CG-CD1 4.1Å; V41-I304 HydrophobicContact CG2-CG2 3.46Å; V41-I304 VanDerWaalsContact CG2-CG2 3.46Å; E300-I304 HydrophobicContact CB-CD1 4.38Å; E300-I304 PolarHBondContact O-N 2.99Å; E300-I304 VanDerWaalsContact O-N 3.09Å; M301-I304 HydrophobicContact CE-CD1 3.65Å; M301-I304 PolarHBondContact O-N 3.43Å; I304-K308 WeakPolarHBondContact O-CA 3.19Å; I304-K308 WeakPolarHBondContact O-CB 3.45Å; I304-K308 PolarHBondContact O-N 3.27Å; I304-K308 VanDerWaalsContact O-N 3.12Å; I304-L309 PolarHBondContact O-N 3.45Å |
| 305 | L | 91.8 | Very high | 84.2 | Confident | 12 Ų | 12 | 64 Ų | 64 | 6% | 0.063 | 34% | 0.34 | C | S | . | . | I | π-helix | trans | -75.9 | -33.1 | -173.6 | -61.1 | -178.6 | 0 | 0 | 0 | 113.6 | V41 F44 F45 Y124 M301 L309 | V41-L305 HydrophobicContact CG1-CD2 4.36Å; V41-L305 HydrophobicContact CG2-CD2 4.31Å; F44-L305 HydrophobicContact CD1-CD1 3.71Å; F44-L305 HydrophobicContact CE1-CD1 3.41Å; F44-L305 VanDerWaalsContact CE1-CD1 3.41Å; F44-L305 HydrophobicContact CG-CD1 4.43Å; F44-L305 HydrophobicContact CZ-CD1 3.9Å; F45-L305 HydrophobicContact CE2-CD1 4.46Å; F45-L305 HydrophobicContact CE2-CD2 3.86Å; F45-L305 HydrophobicContact CZ-CD1 4.48Å; F45-L305 HydrophobicContact CZ-CD2 4.43Å; Y124-L305 HydrophobicContact CD1-CD1 3.93Å; Y124-L305 HydrophobicContact CE1-CD1 4.12Å; Y124-L305 HydrophobicContact CG-CD1 4.46Å; M301-L305 HydrophobicContact CB-CD1 4.43Å; M301-L305 WeakPolarHBondContact O-CB 3.39Å; M301-L305 WeakPolarHBondContact O-CG 3.45Å; M301-L305 PolarHBondContact O-N 2.92Å; M301-L305 HydrophobicContact SD-CD1 4.21Å; M301-L305 HydrophobicContact SD-CG 4.1Å; L305-L309 CarbonylContact O-C 3.58Å |
| 306 | L | 88.3 | Confident | 82.2 | Confident | 57 Ų | 57 | 67.9 Ų | 67.9 | 30% | 0.298 | 37% | 0.369 | S | S | . | . | I | π-helix | trans | -93.3 | -28.5 | -176.4 | -53.2 | 177 | 0 | 0 | 0 | 113.2 | Y124 P126 P302 | Y124-L306 WeakPolarHBondContact O-CD2 3.46Å; P126-L306 HydrophobicContact CG-CD1 4.27Å; P302-L306 HydrophobicContact CB-CD1 4.32Å; P302-L306 WeakPolarHBondContact O-CB 3.36Å; P302-L306 VanDerWaalsContact O-CG 3.26Å; P302-L306 WeakPolarHBondContact O-CG 3.41Å; P302-L306 PolarHBondContact O-N 3.31Å |
| 307 | K | 85.6 | Confident | 79.9 | Confident | 156 Ų | 156 | 68 Ų | 68 | 68% | 0.678 | 37% | 0.374 | S | S | * | . | I | π-helix | trans | -102 | -43.3 | -178.3 | -57.5 | 175.7 | 176.8 | 164.4 | 0 | 113 | N303 | N303-K307 VanDerWaalsContact O-CB 3.24Å; N303-K307 WeakPolarHBondContact O-CB 3.43Å; N303-K307 PolarHBondContact O-N 3.19Å; N303-K307 VanDerWaalsContact O-N 3.12Å; N303-K307 PolarHBondContact OD1-NZ 3.2Å |
| 308 | K | 87.5 | Confident | 77.6 | Confident | 52 Ų | 52 | 74.4 Ų | 74.4 | 23% | 0.226 | 40% | 0.404 | C | S | . | . | I | π-helix | trans | -90.1 | -35.3 | -175 | -55.8 | -167.1 | -176 | -172.1 | 0 | 113 | I31 L32 D33 E37 I304 P310 | I31-K308 HydrophobicContact CG2-CB 4.44Å; I31-K308 WeakPolarHBondContact CG2-O 3.22Å; L32-K308 HydrophobicContact CD2-CB 4.16Å; L32-K308 HydrophobicContact CD2-CD 4.39Å; D33-K308 WeakPolarHBondContact OD2-CE 3.3Å; D33-K308 IonicContact OD2-NZ 2.78Å; D33-K308 PolarHBondContact OD2-NZ 3.3Å; E37-K308 IonicContact OE1-NZ 2.69Å; E37-K308 PolarHBondContact OE1-NZ 3.06Å; E37-K308 WeakPolarHBondContact OE2-CD 3.24Å; E37-K308 WeakPolarHBondContact OE2-CE 3.47Å; E37-K308 IonicContact OE2-NZ 2.71Å; E37-K308 PolarHBondContact OE2-NZ 3.42Å; I304-K308 WeakPolarHBondContact O-CA 3.19Å; I304-K308 WeakPolarHBondContact O-CB 3.45Å; I304-K308 PolarHBondContact O-N 3.27Å; I304-K308 VanDerWaalsContact O-N 3.12Å; K308-P310 VanDerWaalsContact O-CD 3.23Å; K308-P310 WeakPolarHBondContact O-CD 3.26Å |
| 309 | L | 86.8 | Confident | 74.9 | Confident | 28 Ų | 28 | 75.1 Ų | 75.1 | 15% | 0.147 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -116.2 | 63.9 | 178.1 | -66.8 | 175.6 | 0 | 0 | 0 | 112.2 | I31 L32 V41 F79 I304 L305 R311 | I31-L309 HydrophobicContact CG2-CD2 4.14Å; L32-L309 HydrophobicContact CD1-CD1 4.4Å; L32-L309 HydrophobicContact CD2-CD1 3.91Å; L32-L309 HydrophobicContact CD2-CD2 4.46Å; L32-L309 HydrophobicContact CD2-CG 3.92Å; V41-L309 HydrophobicContact CG1-CD1 4.21Å; V41-L309 HydrophobicContact CG2-CD1 4.04Å; F79-L309 HydrophobicContact CB-CD1 4.43Å; F79-L309 HydrophobicContact CB-CD2 4.15Å; F79-L309 HydrophobicContact CD2-CD1 3.88Å; F79-L309 HydrophobicContact CD2-CD2 4.35Å; F79-L309 HydrophobicContact CE2-CD1 4.48Å; F79-L309 HydrophobicContact CG-CD1 4.33Å; I304-L309 PolarHBondContact O-N 3.45Å; L305-L309 CarbonylContact O-C 3.58Å; L309-R311 PolarHBondContact O-N 3.39Å |
| 310 | P | 73 | Confident | 72 | Confident | 93 Ų | 93 | 78.5 Ų | 78.5 | 60% | 0.604 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 137.6 | -179.3 | 27.3 | -34.6 | 0 | 0 | 0 | 110.9 | K308 | K308-P310 VanDerWaalsContact O-CD 3.23Å; K308-P310 WeakPolarHBondContact O-CD 3.26Å |
| 311 | R | 79.4 | Confident | 68.9 | Low | 63 Ų | 63 | 83.5 Ų | 83.5 | 24% | 0.238 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -61 | 142.5 | -179.4 | -68.7 | -173.2 | -66.1 | -86.5 | 1.3 | 111.2 | Y124 D127 L309 | Y124-R311 PolarHBondContact O-NH1 3.14Å; D127-R311 IonicContact OD2-NH2 2.87Å; D127-R311 PolarHBondContact OD2-NH2 3.22Å; L309-R311 PolarHBondContact O-N 3.39Å |
| 312 | P | 72 | Confident | 65.6 | Low | 64 Ų | 64 | 90.8 Ų | 90.8 | 42% | 0.416 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 140.1 | 164 | -22 | 33.1 | 0 | 0 | 0 | 110.6 | D83 I314 | D83-P312 HydrophobicContact CB-CG 4.4Å; P312-I314 PolarHBondContact O-N 3.15Å |
| 313 | V | 63 | Low | 62.5 | Low | 146 Ų | 146 | 100.5 Ų | 100.5 | 89% | 0.885 | 53% | 0.53 | S | S | * | . | trans | -68.8 | 106.6 | 177.6 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 314 | I | 64.1 | Low | 59.5 | Low | 64 Ų | 64 | 105.4 Ų | 105.4 | 33% | 0.328 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -75 | 125.1 | 170.5 | -54.8 | 161.4 | 0 | 0 | 0 | 106.6 | P132 Y133 P312 S316 | P132-I314 HydrophobicContact CB-CD1 3.58Å; P132-I314 HydrophobicContact CG-CD1 3.4Å; Y133-I314 HydrophobicContact CD1-CD1 4.02Å; Y133-I314 HydrophobicContact CE1-CD1 3.39Å; Y133-I314 HydrophobicContact CE1-CG1 4Å; Y133-I314 HydrophobicContact CE2-CD1 4.32Å; P312-I314 PolarHBondContact O-N 3.15Å; I314-S316 PolarHBondContact O-N 2.7Å; I314-S316 VanDerWaalsContact O-N 3.16Å |
| 315 | Q | 46.9 | Very low | 56.2 | Low | 165 Ų | 165 | 111.1 Ų | 111.1 | 77% | 0.771 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 126.1 | 174.2 | -89.4 | 174.7 | -5.9 | 0 | 0 | 109.5 | ||
| 316 | S | 51.3 | Low | 53.1 | Low | 95 Ų | 95 | 114 Ų | 114 | 66% | 0.664 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 152.9 | 177 | -48.4 | 0 | 0 | 0 | 0 | 110 | I314 H318 | I314-S316 PolarHBondContact O-N 2.7Å; I314-S316 VanDerWaalsContact O-N 3.16Å; S316-H318 PolarHBondContact O-N 3.31Å |
| 317 | P | 46.3 | Very low | 50.3 | Low | 90 Ų | 90 | 118.8 Ų | 118.8 | 58% | 0.584 | 65% | 0.65 | S | S | * | * | trans | -53.6 | 107.3 | 172.7 | -16.6 | 27.2 | 0 | 0 | 0 | 108.2 | T319 | P317-T319 VanDerWaalsContact C-N 3.28Å; P317-T319 PolarHBondContact O-N 3.13Å | ||
| 318 | H | 44.3 | Very low | 47.4 | Very low | 159 Ų | 159 | 116.4 Ų | 116.4 | 74% | 0.736 | 65% | 0.653 | S | S | * | * | trans | -60.5 | 103.9 | 162.9 | -81.2 | -69.1 | 0 | 0 | 0 | 105.6 | S316 S320 | S316-H318 PolarHBondContact O-N 3.31Å; H318-S320 PolarHBondContact O-N 3.34Å | ||
| 319 | T | 35 | Very low | 44.7 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 76% | 0.755 | 68% | 0.683 | S | S | * | * | trans | -48.8 | 120.7 | 158.3 | 2.4 | 0 | 0 | 0 | 0 | 105.6 | P317 Q321 | P317-T319 VanDerWaalsContact C-N 3.28Å; P317-T319 PolarHBondContact O-N 3.13Å; T319-Q321 VanDerWaalsContact C-N 3.35Å; T319-Q321 PolarHBondContact O-N 3.34Å | ||
| 320 | S | 31.9 | Very low | 41.7 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 85% | 0.853 | 72% | 0.715 | S | S | * | * | trans | -45.1 | 95.6 | -177.4 | -49.9 | 0 | 0 | 0 | 0 | 110.9 | H318 N322 | H318-S320 PolarHBondContact O-N 3.34Å; S320-N322 PolarHBondContact O-N 3.1Å | ||
| 321 | Q | 29 | Very low | 39.8 | Very low | 155 Ų | 155 | 127.2 Ų | 127.2 | 72% | 0.724 | 72% | 0.719 | S | S | * | * | trans | -75.3 | 116.1 | 167.7 | -79.5 | -74.7 | -1.2 | 0 | 0 | 105.3 | T319 Y323 | T319-Q321 VanDerWaalsContact C-N 3.35Å; T319-Q321 PolarHBondContact O-N 3.34Å; Q321-Y323 PolarHBondContact O-N 3.41Å | ||
| 322 | N | 25 | Very low | 37.3 | Very low | 153 Ų | 153 | 130.4 Ų | 130.4 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -43.2 | 105.3 | 170.1 | -93.3 | -28.3 | 0 | 0 | 0 | 109.4 | S320 Q324 | S320-N322 PolarHBondContact O-N 3.1Å; N322-Q324 VanDerWaalsContact C-N 3.28Å; N322-Q324 PolarHBondContact O-N 3.06Å | ||
| 323 | Y | 27.2 | Very low | 35 | Very low | 233 Ų | 233 | 131.2 Ų | 131.2 | 91% | 0.914 | 77% | 0.765 | S | S | * | * | trans | -70.7 | 94.3 | 165 | -81 | -83.6 | 0 | 0 | 0 | 107.4 | Q321 S325 | Q321-Y323 PolarHBondContact O-N 3.41Å; Y323-S325 PolarHBondContact O-N 3.48Å | ||
| 324 | Q | 27.2 | Very low | 33.1 | Very low | 178 Ų | 178 | 130.5 Ų | 130.5 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | trans | -62.2 | 125.9 | 162.8 | -79.2 | 179.4 | -12.8 | 0 | 0 | 108.3 | N322 G326 | N322-Q324 VanDerWaalsContact C-N 3.28Å; N322-Q324 PolarHBondContact O-N 3.06Å; Q324-G326 PolarHBondContact O-N 3.36Å | ||
| 325 | S | 24.8 | Very low | 31.2 | Very low | 126 Ų | 126 | 133.3 Ų | 133.3 | 88% | 0.881 | 79% | 0.79 | S | S | * | * | trans | -47.9 | 112.9 | 178.1 | 53 | 0 | 0 | 0 | 0 | 112.7 | Y323 | Y323-S325 PolarHBondContact O-N 3.48Š| ||
| 326 | G | 27.5 | Very low | 30.4 | Very low | 72 Ų | 72 | 131.1 Ų | 131.1 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -118.3 | 109.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q324 | Q324-G326 PolarHBondContact O-N 3.36Š| ||
| 327 | N | 29 | Very low | 29 | Very low | 158 Ų | 158 | 133 Ų | 133 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | 10.9 | 129.4 | 166.3 | -83.7 | -0.7 | 0 | 0 | 0 | 122 | ||||
| 328 | S | 23.9 | Very low | 28.2 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | trans | -31.2 | 128.6 | 155.3 | 58.3 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 329 | V | 30.3 | Very low | 27.3 | Very low | 142 Ų | 142 | 132.1 Ų | 132.1 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | trans | -140.3 | 127.3 | 137.4 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 330 | N | 24 | Very low | 26.8 | Very low | 152 Ų | 152 | 130.8 Ų | 130.8 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | -106.6 | 118.8 | -172.1 | -165 | 17.9 | 0 | 0 | 0 | 108.4 | ||||
| 331 | P | 33.1 | Very low | 26.7 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 69% | 0.688 | 82% | 0.817 | S | S | * | * | trans | -106 | 103.1 | 161.7 | 28.8 | -15 | 0 | 0 | 0 | 109.7 | ||||
| 332 | T | 27.2 | Very low | 26.4 | Very low | 130 Ų | 130 | 132 Ų | 132 | 80% | 0.798 | 82% | 0.821 | S | S | * | * | trans | 22.3 | 111.8 | 132.2 | 49.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 333 | G | 23.4 | Very low | 26.7 | Very low | 80 Ų | 80 | 130.6 Ų | 130.6 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | 79.4 | 93.6 | 115.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 334 | C | 24.5 | Very low | 26.5 | Very low | 132 Ų | 132 | 126.9 Ų | 126.9 | 89% | 0.892 | 82% | 0.82 | S | S | * | * | trans | -134.3 | 111.5 | 138.6 | 57.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 335 | S | 23.6 | Very low | 26.5 | Very low | 122 Ų | 122 | 127 Ų | 127 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | -99.2 | 117.9 | 173.9 | 36.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 336 | S | 30 | Very low | 26.5 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -153.6 | 108.8 | 154.9 | 55.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 337 | T | 23 | Very low | 26.6 | Very low | 135 Ų | 135 | 128.3 Ų | 128.3 | 83% | 0.828 | 82% | 0.823 | S | S | * | * | trans | -71.9 | 133.7 | 172.3 | 40.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 338 | T | 28.7 | Very low | 26.3 | Very low | 136 Ų | 136 | 124 Ų | 124 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | -157.5 | 99.2 | 142.5 | 37.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 339 | A | 25.3 | Very low | 26.5 | Very low | 95 Ų | 95 | 125.1 Ų | 125.1 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | 53.8 | 96.6 | 84.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 340 | A | 24.9 | Very low | 26.1 | Very low | 95 Ų | 95 | 126 Ų | 126 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | 107.7 | 147.9 | 71.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 341 | Q | 29.2 | Very low | 26.1 | Very low | 185 Ų | 185 | 125.4 Ų | 125.4 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | 104.3 | 91.8 | 176.8 | -61.3 | 179 | 12.3 | 0 | 0 | 112.7 | ||||
| 342 | S | 22.8 | Very low | 25.7 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | 59.8 | 102.8 | 54.3 | 87 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 343 | S | 30.9 | Very low | 25.5 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -167.1 | 113.3 | 134.3 | 53 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 344 | N | 24 | Very low | 25.8 | Very low | 156 Ų | 156 | 133 Ų | 133 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | -53.7 | 146 | 166.1 | -71.3 | -34.2 | 0 | 0 | 0 | 111.8 | ||||
| 345 | L | 27.3 | Very low | 25.8 | Very low | 179 Ų | 179 | 130.5 Ų | 130.5 | 94% | 0.937 | 80% | 0.802 | S | S | * | * | trans | -142.3 | 115.9 | 139.4 | -101.2 | 159.5 | 0 | 0 | 0 | 109.1 | ||||
| 346 | S | 23.3 | Very low | 26 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -96.6 | 133.3 | -178.3 | 47.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 347 | S | 29.4 | Very low | 25.7 | Very low | 122 Ų | 122 | 128 Ų | 128 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -173.4 | 122.3 | 153 | 53.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 348 | G | 23.3 | Very low | 25.9 | Very low | 69 Ų | 69 | 130.3 Ų | 130.3 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | cis | 104.8 | 80.9 | 22.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 349 | T | 28.1 | Very low | 25.7 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -178.3 | 115.9 | 152.7 | 18.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 350 | Q | 22.6 | Very low | 26 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | 56.8 | 130.9 | 90.2 | -70.7 | -168.7 | 20.5 | 0 | 0 | 111.4 | |||||
| 351 | Q | 23.3 | Very low | 26 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 65% | 0.65 | 79% | 0.79 | S | S | * | * | cis | -178.8 | 159.4 | 30.5 | -126.4 | 175.4 | 10 | 0 | 0 | 108.1 | ||||
| 352 | Q | 25.9 | Very low | 25.7 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | trans | 67.2 | 108.7 | 148.8 | -64.7 | 171.3 | 23.4 | 0 | 0 | 117.5 | ||||
| 353 | N | 22.3 | Very low | 26.1 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 77% | 0.765 | 79% | 0.79 | S | S | * | * | 73.2 | 139.4 | 50 | -147.6 | 22.2 | 0 | 0 | 0 | 114.4 | |||||
| 354 | H | 30.1 | Very low | 25.9 | Very low | 179 Ų | 179 | 128.3 Ų | 128.3 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | trans | 85.5 | 127.3 | -173.8 | -56.5 | -58 | 0 | 0 | 0 | 115.1 | ||||
| 355 | G | 24.6 | Very low | 26.1 | Very low | 79 Ų | 79 | 124.8 Ų | 124.8 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | cis | 170.9 | 174.4 | 5.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 356 | G | 26.9 | Very low | 26.1 | Very low | 83 Ų | 83 | 120.5 Ų | 120.5 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | 115.5 | 72.9 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 357 | S | 23.3 | Very low | 26.3 | Very low | 104 Ų | 104 | 122.1 Ų | 122.1 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | -62.3 | 133.2 | 156.7 | 162.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 358 | M | 28.4 | Very low | 26.4 | Very low | 184 Ų | 184 | 120 Ų | 120 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | -142.1 | 102.5 | 139.2 | -77.1 | -155.1 | -159.1 | 0 | 0 | 109.8 | ||||
| 359 | V | 24.4 | Very low | 26.5 | Very low | 126 Ų | 126 | 122.8 Ų | 122.8 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | trans | -82.3 | 126.9 | 157.8 | 172.3 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 360 | V | 30.4 | Very low | 26.6 | Very low | 130 Ų | 130 | 120.5 Ų | 120.5 | 79% | 0.788 | 79% | 0.788 | S | S | * | * | trans | -121.6 | 133.5 | 160.6 | 176.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 361 | P | 26.2 | Very low | 26.7 | Very low | 97 Ų | 97 | 117.7 Ų | 117.7 | 63% | 0.63 | 79% | 0.786 | S | S | * | * | trans | -98.2 | 152.9 | -159.7 | 37.9 | -30.2 | 0 | 0 | 0 | 113.4 | ||||
| 362 | S | 23.1 | Very low | 26.9 | Very low | 113 Ų | 113 | 116.5 Ų | 116.5 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | 8 | 122.2 | 145.2 | 45.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 363 | A | 30.8 | Very low | 27.1 | Very low | 105 Ų | 105 | 114.4 Ų | 114.4 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | -118.7 | 112.4 | 148.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 364 | T | 25.9 | Very low | 27.2 | Very low | 139 Ų | 139 | 111.4 Ų | 111.4 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -61.6 | 131.7 | 168.5 | 43.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 365 | G | 29 | Very low | 27.3 | Very low | 81 Ų | 81 | 107.8 Ų | 107.8 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -136.7 | 102.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 366 | A | 27.9 | Very low | 27.4 | Very low | 89 Ų | 89 | 110.6 Ų | 110.6 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -81.8 | 148.7 | -168.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 367 | V | 26.1 | Very low | 27.5 | Very low | 138 Ų | 138 | 110.6 Ų | 110.6 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | 61.1 | 116.8 | 133.9 | 179.8 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 368 | G | 31 | Very low | 27.7 | Very low | 78 Ų | 78 | 111.3 Ų | 111.3 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -162.7 | 67.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | G370 | G368-G370 PolarHBondContact O-N 2.92Š| ||
| 369 | T | 27.3 | Very low | 27.6 | Very low | 127 Ų | 127 | 108.9 Ų | 108.9 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | trans | -66.6 | 117.5 | 170 | 44.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 370 | G | 28.9 | Very low | 27.7 | Very low | 82 Ų | 82 | 106.6 Ų | 106.6 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | -120.1 | 96.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | G368 | G368-G370 PolarHBondContact O-N 2.92Š| ||
| 371 | S | 25.1 | Very low | 27.6 | Very low | 100 Ų | 100 | 105.7 Ų | 105.7 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | trans | -89 | 155.3 | -177.2 | -49.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 372 | S | 26.7 | Very low | 27.5 | Very low | 115 Ų | 115 | 109 Ų | 109 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 69.8 | 145 | 156 | 77.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 373 | S | 30.1 | Very low | 27.8 | Very low | 111 Ų | 111 | 112.3 Ų | 112.3 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | cis | -165 | 139.5 | 19.5 | 35.7 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 374 | G | 24.7 | Very low | 27.7 | Very low | 80 Ų | 80 | 112.9 Ų | 112.9 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | 82.8 | 83.2 | 84.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 375 | A | 31.9 | Very low | 27.8 | Very low | 102 Ų | 102 | 114.7 Ų | 114.7 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -142.4 | 93.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 376 | T | 27.4 | Very low | 27.9 | Very low | 139 Ų | 139 | 116.5 Ų | 116.5 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -63.5 | 121 | 164.1 | 37.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 377 | G | 30 | Very low | 27.7 | Very low | 82 Ų | 82 | 119.6 Ų | 119.6 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | trans | -126.4 | 103.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 378 | T | 26.9 | Very low | 28 | Very low | 120 Ų | 120 | 121 Ų | 121 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | -100.1 | 135.2 | -171.2 | -39.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 379 | V | 25 | Very low | 27.8 | Very low | 133 Ų | 133 | 124.8 Ų | 124.8 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | 66.4 | 116 | 151 | 176.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 380 | G | 28.2 | Very low | 27.7 | Very low | 78 Ų | 78 | 124.7 Ų | 124.7 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -153 | 114.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 381 | S | 26.6 | Very low | 27.7 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -66.5 | 152.1 | -162.7 | -61.8 | 0 | 0 | 0 | 0 | 117 | H383 | S381-H383 PolarHBondContact O-N 3.15Š| ||
| 382 | I | 24.2 | Very low | 27.6 | Very low | 167 Ų | 167 | 133 Ų | 133 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -48 | 121.7 | 158.6 | -66.2 | 161.4 | 0 | 0 | 0 | 110 | ||||
| 383 | H | 30.1 | Very low | 27.6 | Very low | 181 Ų | 181 | 135.3 Ų | 135.3 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -131 | 133.6 | 160.7 | -138.1 | -64.3 | 0 | 0 | 0 | 110.4 | S381 | S381-H383 PolarHBondContact O-N 3.15Š| ||
| 384 | T | 28.1 | Very low | 27.6 | Very low | 117 Ų | 117 | 138.7 Ų | 138.7 | 72% | 0.718 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 136.3 | -164.9 | -30.3 | 0 | 0 | 0 | 0 | 113.5 | ||
| 385 | M | 27.8 | Very low | 27.5 | Very low | 177 Ų | 177 | 146 Ų | 146 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 135.4 | 168 | -80.2 | -87 | 179.3 | 0 | 0 | 110.7 | ||
| 386 | P | 32.1 | Very low | 27.4 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 123.6 | 167.7 | 31.1 | -23.1 | 0 | 0 | 0 | 111.3 | ||
| 387 | D | 24.3 | Very low | 27.3 | Very low | 154 Ų | 154 | 149.2 Ų | 149.2 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 128.1 | 160.3 | -76.2 | -48.2 | 0 | 0 | 0 | 109.8 | ||
| 388 | H | 32.1 | Very low | 27.4 | Very low | 167 Ų | 167 | 151.6 Ų | 151.6 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | trans | -171.5 | 106.2 | 144.2 | -105.9 | -69.8 | 0 | 0 | 0 | 112.5 | ||||
| 389 | Q | 26.5 | Very low | 27.3 | Very low | 159 Ų | 159 | 151.4 Ų | 151.4 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | 50.1 | 111 | 122.9 | -70.5 | -175.5 | 0.1 | 0 | 0 | 121.7 | |||||
| 390 | T | 24.5 | Very low | 27.6 | Very low | 125 Ų | 125 | 150.5 Ų | 150.5 | 77% | 0.767 | 82% | 0.815 | S | S | * | * | 45.8 | 111.2 | 122.3 | 23.6 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 391 | Q | 29.7 | Very low | 27.5 | Very low | 192 Ų | 192 | 154.7 Ų | 154.7 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | trans | -166.7 | 98.4 | 140.8 | -110.2 | 168.2 | 15.7 | 0 | 0 | 106.7 | ||||
| 392 | Q | 23.2 | Very low | 27.6 | Very low | 163 Ų | 163 | 158.3 Ų | 158.3 | 76% | 0.762 | 82% | 0.823 | S | S | * | * | 46.6 | 125.6 | 76.6 | -110.9 | -172.4 | 35.6 | 0 | 0 | 116.1 | |||||
| 393 | Q | 26.4 | Very low | 27.8 | Very low | 164 Ų | 164 | 156.4 Ų | 156.4 | 77% | 0.766 | 82% | 0.822 | S | S | * | * | trans | 84.3 | 124.9 | 167.7 | -53.3 | 174.2 | 19.3 | 0 | 0 | 113.6 | ||||
| 394 | Q | 29.1 | Very low | 27.7 | Very low | 183 Ų | 183 | 159.5 Ų | 159.5 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | -157.8 | 143.8 | 52.3 | -113.4 | 153.1 | 17.2 | 0 | 0 | 111.7 | |||||
| 395 | R | 23.7 | Very low | 27.8 | Very low | 233 Ų | 233 | 162.2 Ų | 162.2 | 88% | 0.879 | 83% | 0.833 | S | S | * | * | trans | -67 | 144.1 | 166.4 | -66.2 | 171.2 | 166.2 | -149.3 | -3.2 | 110.6 | ||||
| 396 | S | 29.4 | Very low | 27.8 | Very low | 128 Ų | 128 | 162.9 Ų | 162.9 | 90% | 0.895 | 83% | 0.833 | S | S | * | * | trans | -157 | 125.4 | 137.3 | -88.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 397 | M | 24.9 | Very low | 27.8 | Very low | 181 Ų | 181 | 162.8 Ų | 162.8 | 89% | 0.892 | 83% | 0.832 | S | S | * | * | trans | -88 | 130.6 | 173.3 | -66.7 | -175.8 | 167.4 | 0 | 0 | 109.4 | ||||
| 398 | T | 32.1 | Very low | 28 | Very low | 132 Ų | 132 | 165.2 Ų | 165.2 | 81% | 0.81 | 84% | 0.839 | S | S | * | * | trans | -147.7 | 101.1 | 154.4 | 52.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 399 | S | 25.3 | Very low | 27.9 | Very low | 116 Ų | 116 | 160.8 Ų | 160.8 | 81% | 0.811 | 84% | 0.838 | S | S | * | * | 58.7 | 104.1 | 95.6 | -174 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 400 | S | 31.3 | Very low | 27.8 | Very low | 114 Ų | 114 | 159 Ų | 159 | 80% | 0.797 | 84% | 0.844 | S | S | * | * | 179.4 | 116.4 | 118.9 | 57.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 401 | N | 25.5 | Very low | 28 | Very low | 165 Ų | 165 | 156.2 Ų | 156.2 | 88% | 0.882 | 84% | 0.839 | S | S | * | * | trans | -50.7 | 128.3 | 162.7 | -88.9 | -25.3 | 0 | 0 | 0 | 111.7 | ||||
| 402 | Q | 29.7 | Very low | 27.8 | Very low | 188 Ų | 188 | 155.9 Ų | 155.9 | 88% | 0.879 | 84% | 0.84 | S | S | * | * | trans | -142 | 123.8 | 143.2 | -85.5 | -156.1 | -11.2 | 0 | 0 | 110.5 | ||||
| 403 | P | 28 | Very low | 27.9 | Very low | 127 Ų | 127 | 157 Ų | 157 | 83% | 0.825 | 85% | 0.845 | S | S | * | * | trans | -84.7 | 116.3 | 175.4 | 32.1 | -27.8 | 0 | 0 | 0 | 109.2 | ||||
| 404 | R | 28.5 | Very low | 27.8 | Very low | 246 Ų | 246 | 157.6 Ų | 157.6 | 93% | 0.928 | 85% | 0.847 | S | S | * | * | trans | -104.8 | 101.7 | 174.5 | -163.1 | 171.6 | 180 | 179.3 | -1 | 110.9 | ||||
| 405 | M | 30.4 | Very low | 27.5 | Very low | 174 Ų | 174 | 157.6 Ų | 157.6 | 86% | 0.857 | 85% | 0.85 | S | S | * | * | trans | -1 | 126.3 | 157.3 | -65.2 | -70.9 | -174 | 0 | 0 | 118.1 | ||||
| 406 | H | 26.4 | Very low | 27.4 | Very low | 191 Ų | 191 | 149 Ų | 149 | 88% | 0.884 | 83% | 0.834 | S | S | * | * | trans | -56.7 | 137 | 158.3 | -82.9 | -25.3 | 0 | 0 | 0 | 112.5 | ||||
| 407 | P | 33.8 | Very low | 27.1 | Very low | 116 Ų | 116 | 150 Ų | 150 | 75% | 0.753 | 83% | 0.834 | S | S | * | * | trans | -103.8 | 133.3 | 144 | 23.8 | -7.7 | 0 | 0 | 0 | 110 | G409 | P407-G409 PolarHBondContact O-N 3.24Å; P407-G409 VanDerWaalsContact O-N 3.15Å | ||
| 408 | Q | 27.7 | Very low | 27.2 | Very low | 206 Ų | 206 | 151.6 Ų | 151.6 | 96% | 0.963 | 83% | 0.83 | S | S | * | * | trans | -52 | 109.9 | 172.6 | -70.4 | 161.6 | -10.4 | 0 | 0 | 110.8 | ||||
| 409 | G | 28.9 | Very low | 27 | Very low | 74 Ų | 74 | 152.6 Ų | 152.6 | 76% | 0.763 | 83% | 0.831 | S | S | * | * | trans | -99.2 | 108.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P407 G411 | P407-G409 PolarHBondContact O-N 3.24Å; P407-G409 VanDerWaalsContact O-N 3.15Å; G409-G411 PolarHBondContact O-N 3.14Å | ||
| 410 | S | 26.2 | Very low | 27.1 | Very low | 122 Ų | 122 | 154.5 Ų | 154.5 | 85% | 0.853 | 83% | 0.832 | S | S | * | * | trans | -62.8 | 96 | 171.6 | 61.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 411 | G | 27.1 | Very low | 26.8 | Very low | 65 Ų | 65 | 156.8 Ų | 156.8 | 67% | 0.67 | 83% | 0.834 | S | S | * | * | trans | -96.6 | 107.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | G409 Q413 | G409-G411 PolarHBondContact O-N 3.14Å; G411-Q413 PolarHBondContact O-N 3.34Å | ||
| 412 | M | 25.3 | Very low | 26.9 | Very low | 185 Ų | 185 | 156.3 Ų | 156.3 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | trans | -47 | 117.4 | 174.4 | -81 | 126.6 | 83.3 | 0 | 0 | 112.1 | H414 | M412-H414 VanDerWaalsContact C-N 3.34Å; M412-H414 PolarHBondContact O-N 3.26Å | ||
| 413 | Q | 26.8 | Very low | 26.7 | Very low | 186 Ų | 186 | 154.3 Ų | 154.3 | 87% | 0.869 | 83% | 0.829 | S | S | * | * | trans | -74.5 | 87.1 | 167.2 | -70.7 | -180 | -5.5 | 0 | 0 | 108.8 | G411 M415 | G411-Q413 PolarHBondContact O-N 3.34Å; Q413-M415 PolarHBondContact O-N 2.54Å | ||
| 414 | H | 23.5 | Very low | 26.6 | Very low | 177 Ų | 177 | 156.1 Ų | 156.1 | 82% | 0.819 | 83% | 0.829 | S | S | * | * | trans | -92.1 | 84.5 | 165.5 | -157.6 | -2.7 | 0 | 0 | 0 | 108.1 | M412 G416 | M412-H414 VanDerWaalsContact C-N 3.34Å; M412-H414 PolarHBondContact O-N 3.26Å; H414-G416 PolarHBondContact O-N 2.72Å | ||
| 415 | M | 22.7 | Very low | 26.5 | Very low | 183 Ų | 183 | 149.7 Ų | 149.7 | 90% | 0.901 | 82% | 0.822 | S | S | * | * | trans | -73.5 | 84.6 | 165.1 | -83.9 | -150.4 | -93.8 | 0 | 0 | 108.2 | Q413 | Q413-M415 PolarHBondContact O-N 2.54Š| ||
| 416 | G | 22.7 | Very low | 26.2 | Very low | 53 Ų | 53 | 147.8 Ų | 147.8 | 55% | 0.546 | 82% | 0.819 | S | S | . | * | trans | -82 | 130.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | H414 R418 | H414-G416 PolarHBondContact O-N 2.72Å; G416-R418 PolarHBondContact O-N 2.88Å | ||
| 417 | V | 22.8 | Very low | 26.2 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 90% | 0.897 | 81% | 0.813 | S | S | * | * | trans | -35.9 | 123.7 | 167.3 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 418 | R | 26.8 | Very low | 25.5 | Very low | 216 Ų | 216 | 146.8 Ų | 146.8 | 82% | 0.815 | 82% | 0.819 | S | S | * | * | trans | -126.5 | 0 | 154.1 | -105.3 | -172.3 | 172.9 | -160 | -6.8 | 108.3 | G416 | G416-R418 PolarHBondContact O-N 2.88Š|
Retrieved 418 of 418 residues in 507.2 ms
(Link to these results)