| 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 | 54.6 | Low | 69.6 | Low | 82 Ų | 82 | 61.1 Ų | 61.1 | 40% | 0.404 | 32% | 0.32 | S | S | . | . | 0 | -11.4 | 0 | -158.2 | 158.8 | -78.5 | 0 | 0 | 112.8 | Y6 Q139 R140 | M1-Y6 HydrophobicContact CG-CE1 3.88Å; M1-Y6 WeakPolarHBondContact O-CD1 3.23Å; M1-Y6 WeakPolarHBondContact O-CD2 3.43Å; M1-Y6 WeakPolarHBondContact O-CE1 3.45Å; M1-Y6 VanDerWaalsContact O-CE2 3.3Å; M1-Y6 WeakPolarHBondContact O-CE2 3.3Å; M1-Q139 HydrophobicContact SD-CB 3.65Å; M1-Q139 HydrophobicContact SD-CG 4.19Å; M1-Q139 PolarHBondContact SD-OE1 3.01Å; M1-R140 VanDerWaalsContact CE-CZ 3.41Å | |||
| 2 | W | 62.7 | Low | 71.3 | Confident | 44 Ų | 44 | 69 Ų | 69 | 17% | 0.167 | 35% | 0.354 | C | S | . | . | trans | -111.9 | 31 | 178.8 | -51 | 112.7 | 0 | 0 | 0 | 112.2 | I36 Y42 I138 Q139 | W2-I36 HydrophobicContact CD2-CB 4.31Å; W2-I36 HydrophobicContact CD2-CD1 4.4Å; W2-I36 HydrophobicContact CD2-CG1 3.77Å; W2-I36 HydrophobicContact CE3-CG1 4.15Å; W2-I36 HydrophobicContact CG-CB 4.27Å; W2-I36 HydrophobicContact CG-CG1 4.24Å; W2-I36 HydrophobicContact CH2-CD1 3.9Å; W2-I36 HydrophobicContact CH2-CG1 4.1Å; W2-I36 HydrophobicContact CZ2-CD1 3.4Å; W2-I36 VanDerWaalsContact CZ2-CD1 3.4Å; W2-I36 HydrophobicContact CZ2-CG1 3.72Å; W2-I36 HydrophobicContact CZ3-CG1 4.31Å; W2-Y42 HydrophobicContact CH2-CD2 4.12Å; W2-Y42 AromaticContact CZ3-CD2 4Å; W2-Y42 HydrophobicContact CZ3-CD2 4Å; W2-I138 HydrophobicContact CH2-CG2 4.16Å; W2-Q139 HydrophobicContact CH2-CG 3.83Å; W2-Q139 HydrophobicContact CZ2-CG 3.88Å | ||
| 3 | S | 57 | Low | 72.5 | Confident | 53 Ų | 53 | 68.8 Ų | 68.8 | 37% | 0.371 | 36% | 0.363 | S | S | . | . | trans | -72.2 | 156.9 | -179.7 | 60.5 | 0 | 0 | 0 | 0 | 111 | E5 Y6 | S3-E5 PolarHBondContact O-N 3Å; S3-Y6 VanDerWaalsContact O-CB 3.29Å; S3-Y6 WeakPolarHBondContact O-CB 3.32Å; S3-Y6 PolarHBondContact O-N 3.01Å; S3-Y6 WeakPolarHBondContact OG-CD2 3.46Å | ||
| 4 | V | 58.6 | Low | 73.9 | Confident | 112 Ų | 112 | 65.4 Ų | 65.4 | 68% | 0.679 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -54.1 | -27.8 | 179.7 | -173.7 | 0 | 0 | 0 | 0 | 112.6 | Y6 D7 | V4-Y6 PolarHBondContact O-N 3.39Å; V4-Y6 VanDerWaalsContact O-N 3.16Å; V4-D7 PolarHBondContact O-N 3.31Å |
| 5 | E | 59.8 | Low | 75.3 | Confident | 154 Ų | 154 | 66.5 Ų | 66.5 | 72% | 0.72 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -59.1 | -23.4 | 173 | -66.9 | -179.1 | 167.6 | 0 | 0 | 113.7 | S3 D7 | S3-E5 PolarHBondContact O-N 3Å; E5-D7 VanDerWaalsContact C-N 3.26Å; E5-D7 PolarHBondContact O-N 2.8Å |
| 6 | Y | 64.1 | Low | 76.6 | Confident | 32 Ų | 32 | 66 Ų | 66 | 13% | 0.125 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -74.6 | -16.8 | 175.9 | -77.1 | -112.2 | 0 | 0 | 0 | 112.6 | M1 S3 V4 L8 R41 Y143 | M1-Y6 HydrophobicContact CG-CE1 3.88Å; M1-Y6 WeakPolarHBondContact O-CD1 3.23Å; M1-Y6 WeakPolarHBondContact O-CD2 3.43Å; M1-Y6 WeakPolarHBondContact O-CE1 3.45Å; M1-Y6 VanDerWaalsContact O-CE2 3.3Å; M1-Y6 WeakPolarHBondContact O-CE2 3.3Å; S3-Y6 VanDerWaalsContact O-CB 3.29Å; S3-Y6 WeakPolarHBondContact O-CB 3.32Å; S3-Y6 PolarHBondContact O-N 3.01Å; S3-Y6 WeakPolarHBondContact OG-CD2 3.46Å; V4-Y6 PolarHBondContact O-N 3.39Å; V4-Y6 VanDerWaalsContact O-N 3.16Å; Y6-L8 VanDerWaalsContact C-N 3.26Å; Y6-L8 PolarHBondContact O-N 3.47Å; Y6-R41 PolarHBondContact O-NE 2.85Å; Y6-R41 PolarHBondContact O-NH2 3.05Å; Y6-R41 VanDerWaalsContact O-NH2 3.17Å; Y6-Y143 AromaticContact CD1-CD2 3.13Å; Y6-Y143 HydrophobicContact CD1-CD2 3.13Å; Y6-Y143 AromaticContact CD1-CE2 3.2Å; Y6-Y143 HydrophobicContact CD1-CE2 3.2Å; Y6-Y143 AromaticContact CD1-CG 3.86Å; Y6-Y143 HydrophobicContact CD1-CG 3.86Å; Y6-Y143 AromaticContact CD1-CZ 3.96Å; Y6-Y143 AromaticContact CD2-CE2 3.84Å; Y6-Y143 HydrophobicContact CD2-CE2 3.84Å; Y6-Y143 AromaticContact CE1-CD1 3.77Å; Y6-Y143 HydrophobicContact CE1-CD1 3.77Å; Y6-Y143 AromaticContact CE1-CD2 3.12Å; Y6-Y143 HydrophobicContact CE1-CD2 3.12Å; Y6-Y143 AromaticContact CE1-CE1 3.75Å; Y6-Y143 HydrophobicContact CE1-CE1 3.75Å; Y6-Y143 AromaticContact CE1-CE2 3.11Å; Y6-Y143 HydrophobicContact CE1-CE2 3.11Å; Y6-Y143 AromaticContact CE1-CG 3.42Å; Y6-Y143 HydrophobicContact CE1-CG 3.42Å; Y6-Y143 VanDerWaalsContact CE1-CG 3.42Å; Y6-Y143 AromaticContact CE1-CZ 3.37Å; Y6-Y143 AromaticContact CE2-CE2 3.74Å; Y6-Y143 HydrophobicContact CE2-CE2 3.74Å; Y6-Y143 AromaticContact CE2-CZ 3.64Å; Y6-Y143 WeakPolarHBondContact CE2-OH 3.46Å; Y6-Y143 AromaticContact CG-CD2 3.92Å; Y6-Y143 HydrophobicContact CG-CD2 3.92Å; Y6-Y143 AromaticContact CG-CE2 3.57Å; Y6-Y143 HydrophobicContact CG-CE2 3.57Å; Y6-Y143 AromaticContact CZ-CD2 3.89Å; Y6-Y143 AromaticContact CZ-CE1 3.65Å; Y6-Y143 AromaticContact CZ-CE2 3.37Å; Y6-Y143 AromaticContact CZ-CZ 3.17Å; Y6-Y143 WeakPolarHBondContact OH-CE1 3.47Å; Y6-Y143 PolarHBondContact OH-OH 3.3Å |
| 7 | D | 73.8 | Confident | 77.8 | Confident | 18 Ų | 18 | 70.2 Ų | 70.2 | 10% | 0.096 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -88.9 | 7.1 | -178.2 | -62.7 | -25.7 | 0 | 0 | 0 | 112.4 | V4 E5 G9 L10 S39 K40 R41 | V4-D7 PolarHBondContact O-N 3.31Å; E5-D7 VanDerWaalsContact C-N 3.26Å; E5-D7 PolarHBondContact O-N 2.8Å; D7-G9 PolarHBondContact O-N 2.87Å; D7-L10 VanDerWaalsContact O-CB 3.25Å; D7-L10 WeakPolarHBondContact O-CB 3.32Å; D7-L10 PolarHBondContact O-N 3.04Å; D7-L10 VanDerWaalsContact O-N 3.11Å; D7-S39 PolarHBondContact OD1-OG 3.28Å; D7-K40 HydrophobicContact CB-CB 4.44Å; D7-K40 PolarHBondContact OD1-N 3.06Å; D7-K40 WeakPolarHBondContact OD2-CB 3.47Å; D7-K40 PolarHBondContact OD2-N 3.25Å; D7-R41 WeakPolarHBondContact OD1-CB 3.45Å; D7-R41 PolarHBondContact OD1-N 3.08Å |
| 8 | L | 74.1 | Confident | 78.9 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 49% | 0.492 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 129.1 | -179.6 | -160.5 | 95.9 | 0 | 0 | 0 | 111.9 | Y6 L10 R41 N150 C152 | Y6-L8 VanDerWaalsContact C-N 3.26Å; Y6-L8 PolarHBondContact O-N 3.47Å; L8-L10 PolarHBondContact O-N 3.46Å; L8-R41 PolarHBondContact O-NH2 2.83Å; L8-N150 VanDerWaalsContact CD2-OD1 3.31Å; L8-N150 WeakPolarHBondContact CD2-OD1 3.32Å; L8-C152 PolarHBondContact O-N 2.98Å |
| 9 | G | 82.5 | Confident | 79.8 | Confident | 14 Ų | 14 | 67.7 Ų | 67.7 | 14% | 0.144 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 1.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D7 E12 C152 | D7-G9 PolarHBondContact O-N 2.87Å; G9-E12 WeakPolarHBondContact CA-OE2 3.01Å; G9-E12 PolarHBondContact N-OE2 2.87Å; G9-C152 WeakPolarHBondContact O-CB 3.44Å |
| 10 | L | 89.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -50.5 | -178.8 | 175.7 | 65.9 | 0 | 0 | 0 | 111.1 | D7 L8 E12 S13 L14 L22 K40 R41 V44 C152 | D7-L10 VanDerWaalsContact O-CB 3.25Å; D7-L10 WeakPolarHBondContact O-CB 3.32Å; D7-L10 PolarHBondContact O-N 3.04Å; D7-L10 VanDerWaalsContact O-N 3.11Å; L8-L10 PolarHBondContact O-N 3.46Å; L10-E12 PolarHBondContact O-N 3.02Å; L10-S13 WeakPolarHBondContact O-CB 3.47Å; L10-S13 PolarHBondContact O-N 3.42Å; L10-S13 PolarHBondContact O-OG 3.07Å; L10-L14 HydrophobicContact CG-CD1 4.45Å; L10-L22 HydrophobicContact CD2-CD2 4.05Å; L10-K40 VanDerWaalsContact CD2-C 3.46Å; L10-K40 HydrophobicContact CD2-CB 3.76Å; L10-R41 HydrophobicContact CD2-CB 4.11Å; L10-V44 HydrophobicContact CD1-CG1 4.03Å; L10-V44 HydrophobicContact CD2-CG1 4.44Å; L10-C152 HydrophobicContact CB-CB 4.28Å |
| 11 | E | 89.6 | Confident | 81.5 | Confident | 69 Ų | 69 | 66.6 Ų | 66.6 | 32% | 0.322 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -64.5 | -34.6 | -173.9 | -60.4 | -164.5 | 150.8 | 0 | 0 | 111.3 | S13 L14 L19 H23 K40 | E11-S13 PolarHBondContact O-N 2.97Å; E11-L14 PolarHBondContact O-N 3.38Å; E11-L19 HydrophobicContact CB-CD1 3.74Å; E11-L19 HydrophobicContact CB-CD2 4.47Å; E11-L19 HydrophobicContact CG-CD1 3.62Å; E11-H23 IonicContact OE1-CD2 3.15Å; E11-H23 IonicContact OE1-CE1 3.01Å; E11-H23 IonicContact OE1-NE2 2.67Å; E11-H23 PolarHBondContact OE1-NE2 3.25Å; E11-K40 IonicContact OE1-NZ 2.7Å; E11-K40 PolarHBondContact OE1-NZ 3.15Å |
| 12 | E | 89 | Confident | 83.5 | Confident | 156 Ų | 156 | 62.7 Ų | 62.7 | 73% | 0.729 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -68.3 | -18.7 | 175.3 | -57.1 | 88 | 162 | 0 | 0 | 113.2 | G9 L10 | G9-E12 WeakPolarHBondContact CA-OE2 3.01Å; G9-E12 PolarHBondContact N-OE2 2.87Å; L10-E12 PolarHBondContact O-N 3.02Å |
| 13 | S | 87.3 | Confident | 85.1 | Confident | 67 Ų | 67 | 64 Ų | 64 | 47% | 0.469 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -88.1 | -8.3 | 177.3 | 76.5 | 0 | 0 | 0 | 0 | 113.7 | L10 E11 | L10-S13 WeakPolarHBondContact O-CB 3.47Å; L10-S13 PolarHBondContact O-N 3.42Å; L10-S13 PolarHBondContact O-OG 3.07Å; E11-S13 PolarHBondContact O-N 2.97Å |
| 14 | L | 92.5 | Very high | 87 | Confident | 21 Ų | 21 | 66.2 Ų | 66.2 | 11% | 0.11 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -104.6 | 150.6 | -175.7 | -61.4 | -179.4 | 0 | 0 | 0 | 111.6 | L10 E11 E18 L19 L22 V44 W52 | L10-L14 HydrophobicContact CG-CD1 4.45Å; E11-L14 PolarHBondContact O-N 3.38Å; L14-E18 HydrophobicContact CB-CB 4.05Å; L14-E18 HydrophobicContact CD2-CB 4.41Å; L14-L19 HydrophobicContact CB-CB 4.47Å; L14-L22 HydrophobicContact CD1-CB 4.48Å; L14-L22 HydrophobicContact CD1-CD2 3.48Å; L14-L22 VanDerWaalsContact CD1-CD2 3.48Å; L14-V44 HydrophobicContact CD1-CG2 4.27Å; L14-V44 HydrophobicContact CD2-CG2 4.32Å; L14-W52 HydrophobicContact CD1-CH2 4.24Å; L14-W52 HydrophobicContact CD2-CH2 3.82Å; L14-W52 HydrophobicContact CD2-CZ2 4.22Å |
| 15 | T | 95.2 | Very high | 88.8 | Confident | 81 Ų | 81 | 60.9 Ų | 60.9 | 50% | 0.497 | 34% | 0.336 | S | S | . | . | trans | -68.7 | 163.6 | 166.9 | 63.2 | 0 | 0 | 0 | 0 | 111.1 | D17 E18 L19 | T15-D17 VanDerWaalsContact C-N 3.29Å; T15-D17 PolarHBondContact O-N 2.57Å; T15-E18 WeakPolarHBondContact CG2-OE2 3.31Å; T15-E18 PolarHBondContact N-OE2 3.32Å; T15-E18 PolarHBondContact O-N 2.83Å; T15-E18 WeakPolarHBondContact OG1-CB 3.39Å; T15-E18 VanDerWaalsContact OG1-CD 3.27Å; T15-E18 WeakPolarHBondContact OG1-CG 3.27Å; T15-E18 PolarHBondContact OG1-N 2.94Å; T15-E18 PolarHBondContact OG1-OE2 3.1Å; T15-L19 WeakPolarHBondContact O-CB 3.38Å; T15-L19 PolarHBondContact O-N 3.49Å | ||
| 16 | G | 95.8 | Very high | 90.5 | Very high | 59 Ų | 59 | 55.7 Ų | 55.7 | 61% | 0.608 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -58.4 | -39.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S20 | G16-S20 PolarHBondContact O-N 2.99Å |
| 17 | D | 96.6 | Very high | 92 | Very high | 138 Ų | 138 | 59.9 Ų | 59.9 | 74% | 0.738 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -67.9 | -46.7 | 177.8 | -66.9 | -17.4 | 0 | 0 | 0 | 111.2 | T15 L19 S20 V21 | T15-D17 VanDerWaalsContact C-N 3.29Å; T15-D17 PolarHBondContact O-N 2.57Å; D17-L19 VanDerWaalsContact C-N 3.31Å; D17-L19 PolarHBondContact O-N 3.3Å; D17-S20 WeakPolarHBondContact O-CB 3.26Å; D17-S20 PolarHBondContact O-N 2.75Å; D17-V21 WeakPolarHBondContact O-CG2 3.33Å; D17-V21 PolarHBondContact O-N 2.82Å |
| 18 | E | 97.3 | Very high | 93 | Very high | 51 Ų | 51 | 63.2 Ų | 63.2 | 24% | 0.238 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 176.4 | -73.6 | 174.5 | 142.5 | 0 | 0 | 112.1 | L14 T15 S20 V21 L22 W52 | L14-E18 HydrophobicContact CB-CB 4.05Å; L14-E18 HydrophobicContact CD2-CB 4.41Å; T15-E18 WeakPolarHBondContact CG2-OE2 3.31Å; T15-E18 PolarHBondContact N-OE2 3.32Å; T15-E18 PolarHBondContact O-N 2.83Å; T15-E18 WeakPolarHBondContact OG1-CB 3.39Å; T15-E18 VanDerWaalsContact OG1-CD 3.27Å; T15-E18 WeakPolarHBondContact OG1-CG 3.27Å; T15-E18 PolarHBondContact OG1-N 2.94Å; T15-E18 PolarHBondContact OG1-OE2 3.1Å; E18-S20 VanDerWaalsContact C-N 3.34Å; E18-V21 PolarHBondContact O-N 2.7Å; E18-L22 WeakPolarHBondContact O-CB 3.26Å; E18-L22 PolarHBondContact O-N 3.38Å; E18-W52 HydrophobicContact CB-CD2 4.45Å; E18-W52 HydrophobicContact CB-CE3 4.21Å; E18-W52 HydrophobicContact CB-CH2 3.5Å; E18-W52 HydrophobicContact CB-CZ2 3.75Å; E18-W52 HydrophobicContact CB-CZ3 3.75Å; E18-W52 VanDerWaalsContact CD-CZ2 3.43Å; E18-W52 HydrophobicContact CG-CD2 3.98Å; E18-W52 HydrophobicContact CG-CE3 4.25Å; E18-W52 HydrophobicContact CG-CH2 3.75Å; E18-W52 HydrophobicContact CG-CZ2 3.41Å; E18-W52 VanDerWaalsContact CG-CZ2 3.41Å; E18-W52 HydrophobicContact CG-CZ3 4.15Å; E18-W52 VanDerWaalsContact O-CZ3 3.28Å; E18-W52 WeakPolarHBondContact O-CZ3 3.47Å; E18-W52 VanDerWaalsContact OE1-CZ2 3.22Å; E18-W52 WeakPolarHBondContact OE1-CZ2 3.44Å; E18-W52 PolarHBondContact OE1-NE1 3.43Å |
| 19 | L | 96 | Very high | 93.9 | Very high | 41 Ų | 41 | 58.7 Ų | 58.7 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 176.5 | -175 | 61.1 | 0 | 0 | 0 | 111.4 | E11 L14 T15 D17 L22 H23 | E11-L19 HydrophobicContact CB-CD1 3.74Å; E11-L19 HydrophobicContact CB-CD2 4.47Å; E11-L19 HydrophobicContact CG-CD1 3.62Å; L14-L19 HydrophobicContact CB-CB 4.47Å; T15-L19 WeakPolarHBondContact O-CB 3.38Å; T15-L19 PolarHBondContact O-N 3.49Å; D17-L19 VanDerWaalsContact C-N 3.31Å; D17-L19 PolarHBondContact O-N 3.3Å; L19-L22 PolarHBondContact O-N 2.87Å; L19-H23 WeakPolarHBondContact CD1-NE2 3.42Å; L19-H23 PolarHBondContact O-CD2 3.06Å; L19-H23 PolarHBondContact O-N 3.37Å |
| 20 | S | 97.2 | Very high | 94.3 | Very high | 79 Ų | 79 | 61 Ų | 61 | 55% | 0.552 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -62.7 | -44.9 | 176.3 | -175.7 | 0 | 0 | 0 | 0 | 112 | G16 D17 E18 H23 Q24 | G16-S20 PolarHBondContact O-N 2.99Å; D17-S20 WeakPolarHBondContact O-CB 3.26Å; D17-S20 PolarHBondContact O-N 2.75Å; E18-S20 VanDerWaalsContact C-N 3.34Å; S20-H23 PolarHBondContact O-N 3.37Å; S20-Q24 PolarHBondContact O-N 3.44Å |
| 21 | V | 98 | Very high | 94.2 | Very high | 33 Ų | 33 | 65.5 Ų | 65.5 | 20% | 0.2 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 176.5 | 176.7 | 0 | 0 | 0 | 0 | 111.3 | D17 E18 H23 Q24 F25 L47 W52 V54 | D17-V21 WeakPolarHBondContact O-CG2 3.33Å; D17-V21 PolarHBondContact O-N 2.82Å; E18-V21 PolarHBondContact O-N 2.7Å; V21-H23 VanDerWaalsContact C-N 3.34Å; V21-H23 PolarHBondContact O-N 3.15Å; V21-Q24 PolarHBondContact O-N 3.46Å; V21-F25 WeakPolarHBondContact O-CB 3.33Å; V21-F25 PolarHBondContact O-N 2.92Å; V21-L47 HydrophobicContact CG1-CD1 4.33Å; V21-L47 HydrophobicContact CG1-CD2 3.93Å; V21-W52 HydrophobicContact CB-CE3 4.14Å; V21-W52 HydrophobicContact CG1-CB 4.33Å; V21-W52 HydrophobicContact CG1-CE3 4.04Å; V21-W52 WeakPolarHBondContact CG1-O 3.47Å; V21-V54 HydrophobicContact CG1-CG2 3.68Å |
| 22 | L | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 174.9 | 176.3 | 60.1 | 0 | 0 | 0 | 111.8 | L10 L14 E18 L19 F25 Y26 K40 L43 V44 L47 W52 | L10-L22 HydrophobicContact CD2-CD2 4.05Å; L14-L22 HydrophobicContact CD1-CB 4.48Å; L14-L22 HydrophobicContact CD1-CD2 3.48Å; L14-L22 VanDerWaalsContact CD1-CD2 3.48Å; E18-L22 WeakPolarHBondContact O-CB 3.26Å; E18-L22 PolarHBondContact O-N 3.38Å; L19-L22 PolarHBondContact O-N 2.87Å; L22-F25 PolarHBondContact O-N 3.02Å; L22-Y26 WeakPolarHBondContact O-CB 3.44Å; L22-Y26 PolarHBondContact O-N 2.82Å; L22-K40 HydrophobicContact CD1-CB 4.39Å; L22-K40 HydrophobicContact CD2-CB 4.21Å; L22-L43 HydrophobicContact CD1-CB 4.17Å; L22-V44 HydrophobicContact CD1-CB 4.14Å; L22-V44 HydrophobicContact CD2-CG2 4.47Å; L22-L47 HydrophobicContact CB-CD1 4.18Å; L22-L47 HydrophobicContact CD1-CD1 3.96Å; L22-W52 HydrophobicContact CB-CZ3 4.4Å |
| 23 | H | 96.1 | Very high | 94 | Very high | 72 Ų | 72 | 60.6 Ų | 60.6 | 33% | 0.333 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 175.6 | -70.4 | 177.4 | 0 | 0 | 0 | 111.5 | E11 L19 S20 V21 F25 Y26 E27 | E11-H23 IonicContact OE1-CD2 3.15Å; E11-H23 IonicContact OE1-CE1 3.01Å; E11-H23 IonicContact OE1-NE2 2.67Å; E11-H23 PolarHBondContact OE1-NE2 3.25Å; L19-H23 WeakPolarHBondContact CD1-NE2 3.42Å; L19-H23 PolarHBondContact O-CD2 3.06Å; L19-H23 PolarHBondContact O-N 3.37Å; S20-H23 PolarHBondContact O-N 3.37Å; V21-H23 VanDerWaalsContact C-N 3.34Å; V21-H23 PolarHBondContact O-N 3.15Å; H23-F25 VanDerWaalsContact C-N 3.34Å; H23-F25 PolarHBondContact O-N 3.15Å; H23-Y26 PolarHBondContact O-N 3.36Å; H23-E27 WeakPolarHBondContact O-CG 3.42Å; H23-E27 PolarHBondContact O-N 2.83Å |
| 24 | Q | 97.1 | Very high | 93.9 | Very high | 100 Ų | 100 | 61 Ų | 61 | 47% | 0.467 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58 | -46.7 | 174.5 | -176.5 | -174.5 | 14.8 | 0 | 0 | 111.8 | S20 V21 E27 R28 | S20-Q24 PolarHBondContact O-N 3.44Å; V21-Q24 PolarHBondContact O-N 3.46Å; Q24-E27 PolarHBondContact O-N 3.13Å; Q24-R28 PolarHBondContact O-N 2.84Å |
| 25 | F | 97.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 179.4 | -174.8 | -136.4 | 0 | 0 | 0 | 111.8 | V21 L22 H23 E27 R28 M29 L43 W46 L47 V54 A57 E58 L61 | V21-F25 WeakPolarHBondContact O-CB 3.33Å; V21-F25 PolarHBondContact O-N 2.92Å; L22-F25 PolarHBondContact O-N 3.02Å; H23-F25 VanDerWaalsContact C-N 3.34Å; H23-F25 PolarHBondContact O-N 3.15Å; F25-E27 PolarHBondContact O-N 3.29Å; F25-R28 PolarHBondContact O-N 3.19Å; F25-M29 HydrophobicContact CD2-CG 4.08Å; F25-M29 HydrophobicContact CE1-CG 4.5Å; F25-M29 HydrophobicContact CE2-CG 3.77Å; F25-M29 HydrophobicContact CE2-SD 3.83Å; F25-M29 HydrophobicContact CZ-CG 4.01Å; F25-M29 HydrophobicContact CZ-SD 4.19Å; F25-M29 WeakPolarHBondContact O-CG 3.5Å; F25-M29 PolarHBondContact O-N 3.28Å; F25-L43 HydrophobicContact CD1-CB 3.91Å; F25-L43 HydrophobicContact CD1-CD1 4.42Å; F25-L43 HydrophobicContact CE1-CB 3.94Å; F25-L43 HydrophobicContact CE1-CD2 3.97Å; F25-L43 HydrophobicContact CE1-CG 4.4Å; F25-L43 HydrophobicContact CZ-CD2 4.45Å; F25-W46 HydrophobicContact CE1-CB 4.24Å; F25-L47 HydrophobicContact CB-CD1 3.94Å; F25-L47 HydrophobicContact CB-CD2 4.09Å; F25-L47 HydrophobicContact CB-CG 4.34Å; F25-L47 HydrophobicContact CD1-CD1 3.72Å; F25-L47 HydrophobicContact CD1-CD2 3.93Å; F25-L47 HydrophobicContact CD1-CG 3.59Å; F25-L47 HydrophobicContact CE1-CG 4.16Å; F25-L47 HydrophobicContact CG-CD1 4.21Å; F25-L47 HydrophobicContact CG-CD2 4.03Å; F25-L47 HydrophobicContact CG-CG 4.17Å; F25-V54 HydrophobicContact CB-CG1 4.19Å; F25-V54 HydrophobicContact CD2-CG1 3.82Å; F25-V54 HydrophobicContact CG-CG1 4.38Å; F25-A57 HydrophobicContact CE1-CB 4.33Å; F25-A57 HydrophobicContact CE2-CB 4.4Å; F25-A57 HydrophobicContact CZ-CB 4.07Å; F25-E58 HydrophobicContact CE2-CB 3.87Å; F25-E58 HydrophobicContact CE2-CG 4.45Å; F25-L61 HydrophobicContact CE1-CD2 4.42Å; F25-L61 HydrophobicContact CZ-CD2 3.85Å |
| 26 | Y | 95.1 | Very high | 93.2 | Very high | 45 Ų | 45 | 62.6 Ų | 62.6 | 18% | 0.176 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.5 | -47.2 | 175.1 | 179.5 | -93.4 | 0 | 0 | 0 | 112 | L22 H23 R28 M29 L30 R38 K40 L43 | L22-Y26 WeakPolarHBondContact O-CB 3.44Å; L22-Y26 PolarHBondContact O-N 2.82Å; H23-Y26 PolarHBondContact O-N 3.36Å; Y26-R28 VanDerWaalsContact C-N 3.35Å; Y26-R28 PolarHBondContact O-N 2.95Å; Y26-M29 PolarHBondContact O-N 2.95Å; Y26-M29 VanDerWaalsContact O-N 3.14Å; Y26-L30 HydrophobicContact CD1-CD2 4.48Å; Y26-L30 HydrophobicContact CE1-CD1 4.49Å; Y26-L30 HydrophobicContact CE1-CD2 3.81Å; Y26-L30 HydrophobicContact CE1-CG 4.3Å; Y26-L30 PolarHBondContact O-N 3.09Å; Y26-L30 VanDerWaalsContact O-N 3.14Å; Y26-R38 WeakPolarHBondContact CE2-O 3.49Å; Y26-K40 HydrophobicContact CD2-CG 3.64Å; Y26-K40 HydrophobicContact CE2-CG 4.05Å; Y26-K40 HydrophobicContact CG-CG 4.24Å; Y26-L43 HydrophobicContact CD2-CD1 3.78Å; Y26-L43 HydrophobicContact CG-CD1 4.36Å |
| 27 | E | 95.4 | Very high | 92.8 | Very high | 120 Ų | 120 | 59.8 Ų | 59.8 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.5 | -40.5 | 177.7 | -71.6 | -60.1 | 127.9 | 0 | 0 | 112.6 | H23 Q24 F25 M29 L30 | H23-E27 WeakPolarHBondContact O-CG 3.42Å; H23-E27 PolarHBondContact O-N 2.83Å; Q24-E27 PolarHBondContact O-N 3.13Å; F25-E27 PolarHBondContact O-N 3.29Å; E27-M29 VanDerWaalsContact C-N 3.32Å; E27-M29 PolarHBondContact O-N 3.19Å; E27-L30 WeakPolarHBondContact O-CB 3.36Å; E27-L30 PolarHBondContact O-N 2.71Å; E27-L30 WeakPolarHBondContact OE2-CD1 3.31Å |
| 28 | R | 94.6 | Very high | 92.5 | Very high | 87 Ų | 87 | 56.4 Ų | 56.4 | 33% | 0.328 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 174.7 | -69.9 | -171.5 | -179.1 | -168.9 | 5.5 | 112 | Q24 F25 Y26 L30 S31 D55 E58 | Q24-R28 PolarHBondContact O-N 2.84Å; F25-R28 PolarHBondContact O-N 3.19Å; Y26-R28 VanDerWaalsContact C-N 3.35Å; Y26-R28 PolarHBondContact O-N 2.95Å; R28-L30 PolarHBondContact O-N 2.82Å; R28-S31 PolarHBondContact O-N 2.91Å; R28-S31 PolarHBondContact O-OG 2.98Å; R28-D55 IonicContact CZ-OD1 3.85Å; R28-D55 IonicContact NH1-OD1 2.66Å; R28-D55 PolarHBondContact NH1-OD1 2.93Å; R28-D55 IonicContact NH2-OD1 3.85Å; R28-D55 PolarHBondContact NH2-OD1 2.92Å; R28-D55 VanDerWaalsContact NH2-OD1 3.15Å; R28-E58 WeakPolarHBondContact CD-OE2 3.31Å; R28-E58 IonicContact CZ-OE2 3.74Å; R28-E58 IonicContact NH1-OE2 2.81Å; R28-E58 PolarHBondContact NH1-OE2 3.19Å |
| 29 | M | 93.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.5 | -11.2 | -178.3 | -65.1 | -49.9 | -53.4 | 0 | 0 | 113.5 | F25 Y26 E27 S31 C32 C37 R38 L43 E58 L61 | F25-M29 HydrophobicContact CD2-CG 4.08Å; F25-M29 HydrophobicContact CE1-CG 4.5Å; F25-M29 HydrophobicContact CE2-CG 3.77Å; F25-M29 HydrophobicContact CE2-SD 3.83Å; F25-M29 HydrophobicContact CZ-CG 4.01Å; F25-M29 HydrophobicContact CZ-SD 4.19Å; F25-M29 WeakPolarHBondContact O-CG 3.5Å; F25-M29 PolarHBondContact O-N 3.28Å; Y26-M29 PolarHBondContact O-N 2.95Å; Y26-M29 VanDerWaalsContact O-N 3.14Å; E27-M29 VanDerWaalsContact C-N 3.32Å; E27-M29 PolarHBondContact O-N 3.19Å; M29-S31 PolarHBondContact O-N 2.99Å; M29-C32 HydrophobicContact CE-CB 3.74Å; M29-C32 WeakPolarHBondContact O-CB 3.37Å; M29-C32 PolarHBondContact O-N 2.92Å; M29-C37 HydrophobicContact CB-CB 4.37Å; M29-C37 HydrophobicContact CE-CB 4.16Å; M29-R38 PolarHBondContact O-NH1 2.74Å; M29-L43 HydrophobicContact CB-CD1 4.07Å; M29-L43 HydrophobicContact CB-CD2 4.28Å; M29-L43 HydrophobicContact CG-CD1 4.16Å; M29-L43 HydrophobicContact CG-CD2 3.89Å; M29-E58 HydrophobicContact SD-CG 4.33Å; M29-L61 HydrophobicContact CE-CD2 3.56Å; M29-L61 HydrophobicContact CE-CG 4.28Å; M29-L61 HydrophobicContact CG-CD2 4.27Å; M29-L61 HydrophobicContact SD-CD2 3.92Å |
| 30 | L | 90.2 | Very high | 92 | Very high | 63 Ų | 63 | 54 Ų | 54 | 33% | 0.33 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -25.2 | 172.1 | -69.5 | 179.3 | 0 | 0 | 0 | 113.2 | Y26 E27 R28 C32 R38 | Y26-L30 HydrophobicContact CD1-CD2 4.48Å; Y26-L30 HydrophobicContact CE1-CD1 4.49Å; Y26-L30 HydrophobicContact CE1-CD2 3.81Å; Y26-L30 HydrophobicContact CE1-CG 4.3Å; Y26-L30 PolarHBondContact O-N 3.09Å; Y26-L30 VanDerWaalsContact O-N 3.14Å; E27-L30 WeakPolarHBondContact O-CB 3.36Å; E27-L30 PolarHBondContact O-N 2.71Å; E27-L30 WeakPolarHBondContact OE2-CD1 3.31Å; R28-L30 PolarHBondContact O-N 2.82Å; L30-C32 VanDerWaalsContact C-N 3.35Å; L30-R38 VanDerWaalsContact CA-NH1 3.32Å; L30-R38 PolarHBondContact O-NH2 3.47Å |
| 31 | S | 88.4 | Confident | 91.7 | Very high | 93 Ų | 93 | 50.9 Ų | 50.9 | 65% | 0.65 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -25.9 | 175.1 | 63.2 | 0 | 0 | 0 | 0 | 113.6 | R28 M29 | R28-S31 PolarHBondContact O-N 2.91Å; R28-S31 PolarHBondContact O-OG 2.98Å; M29-S31 PolarHBondContact O-N 2.99Å |
| 32 | C | 87.6 | Confident | 91.3 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -71 | 130.1 | 177.9 | -178.2 | 0 | 0 | 0 | 0 | 109.8 | M29 L30 L34 C37 R38 | M29-C32 HydrophobicContact CE-CB 3.74Å; M29-C32 WeakPolarHBondContact O-CB 3.37Å; M29-C32 PolarHBondContact O-N 2.92Å; L30-C32 VanDerWaalsContact C-N 3.35Å; C32-L34 VanDerWaalsContact C-N 3.26Å; C32-L34 PolarHBondContact O-N 3.44Å; C32-C37 HydrophobicContact CB-CB 4.23Å; C32-C37 VanDerWaalsContact SG-SG 3.64Å; C32-R38 VanDerWaalsContact O-CZ 3.22Å; C32-R38 PolarHBondContact O-NH1 3.27Å; C32-R38 PolarHBondContact O-NH2 2.98Å |
| 33 | P | 85 | Confident | 91.2 | Very high | 116 Ų | 116 | 49.8 Ų | 49.8 | 75% | 0.753 | 25% | 0.252 | S | S | * | . | trans | -76.8 | -7.6 | -175.9 | 30.5 | -36.2 | 0 | 0 | 0 | 114.2 | ||||
| 34 | L | 85.8 | Confident | 91.1 | Very high | 75 Ų | 75 | 46.3 Ų | 46.3 | 39% | 0.393 | 24% | 0.236 | S | C | . | . | trans | -82.8 | 127.2 | -174.8 | -59.5 | 178.1 | 0 | 0 | 0 | 111.6 | C32 I36 C37 L65 | C32-L34 VanDerWaalsContact C-N 3.26Å; C32-L34 PolarHBondContact O-N 3.44Å; L34-I36 HydrophobicContact CB-CG2 4.11Å; L34-I36 PolarHBondContact O-N 3.22Å; L34-I36 VanDerWaalsContact O-N 3.14Å; L34-C37 WeakPolarHBondContact O-CB 3.38Å; L34-C37 PolarHBondContact O-N 3.35Å; L34-L65 HydrophobicContact CD1-CB 4.35Å; L34-L65 HydrophobicContact CD1-CD1 4.17Å; L34-L65 HydrophobicContact CD1-CD2 3.82Å; L34-L65 HydrophobicContact CD1-CG 4.31Å | ||
| 35 | D | 85.7 | Confident | 91 | Very high | 126 Ų | 126 | 42 Ų | 42 | 67% | 0.674 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -57.3 | -30.2 | -179.2 | -75.6 | -19 | 0 | 0 | 0 | 113.6 | C37 R38 | D35-C37 PolarHBondContact O-N 2.95Å; D35-R38 VanDerWaalsContact O-CB 3.26Å; D35-R38 WeakPolarHBondContact O-CB 3.39Å; D35-R38 PolarHBondContact O-N 2.95Å |
| 36 | I | 86.7 | Confident | 91 | Very high | 11 Ų | 11 | 42.2 Ų | 42.2 | 6% | 0.056 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -60.2 | -30.2 | 177.9 | -164 | 165.3 | 0 | 0 | 0 | 112.2 | W2 L34 R38 S39 Y42 L65 | W2-I36 HydrophobicContact CD2-CB 4.31Å; W2-I36 HydrophobicContact CD2-CD1 4.4Å; W2-I36 HydrophobicContact CD2-CG1 3.77Å; W2-I36 HydrophobicContact CE3-CG1 4.15Å; W2-I36 HydrophobicContact CG-CB 4.27Å; W2-I36 HydrophobicContact CG-CG1 4.24Å; W2-I36 HydrophobicContact CH2-CD1 3.9Å; W2-I36 HydrophobicContact CH2-CG1 4.1Å; W2-I36 HydrophobicContact CZ2-CD1 3.4Å; W2-I36 VanDerWaalsContact CZ2-CD1 3.4Å; W2-I36 HydrophobicContact CZ2-CG1 3.72Å; W2-I36 HydrophobicContact CZ3-CG1 4.31Å; L34-I36 HydrophobicContact CB-CG2 4.11Å; L34-I36 PolarHBondContact O-N 3.22Å; L34-I36 VanDerWaalsContact O-N 3.14Å; I36-R38 PolarHBondContact O-N 2.83Å; I36-S39 PolarHBondContact O-N 3.22Å; I36-Y42 HydrophobicContact CD1-CD1 4.45Å; I36-Y42 HydrophobicContact CD1-CD2 3.89Å; I36-Y42 HydrophobicContact CD1-CE1 4Å; I36-Y42 HydrophobicContact CD1-CE2 3.38Å; I36-Y42 HydrophobicContact CD1-CG 4.38Å; I36-Y42 VanDerWaalsContact CD1-CZ 3.4Å; I36-Y42 HydrophobicContact CG1-CD1 3.75Å; I36-Y42 HydrophobicContact CG1-CD2 3.73Å; I36-Y42 HydrophobicContact CG1-CE1 3.69Å; I36-Y42 HydrophobicContact CG1-CE2 3.69Å; I36-Y42 HydrophobicContact CG1-CG 3.74Å; I36-Y42 HydrophobicContact CG2-CE1 4.28Å; I36-Y42 WeakPolarHBondContact O-CD1 3.49Å; I36-L65 HydrophobicContact CG2-CD2 4.04Å |
| 37 | C | 89.2 | Confident | 91.1 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -76.4 | -1.5 | 176.3 | -63.2 | 0 | 0 | 0 | 0 | 113 | M29 C32 L34 D35 | M29-C37 HydrophobicContact CB-CB 4.37Å; M29-C37 HydrophobicContact CE-CB 4.16Å; C32-C37 HydrophobicContact CB-CB 4.23Å; C32-C37 VanDerWaalsContact SG-SG 3.64Å; L34-C37 WeakPolarHBondContact O-CB 3.38Å; L34-C37 PolarHBondContact O-N 3.35Å; D35-C37 PolarHBondContact O-N 2.95Å |
| 38 | R | 89.6 | Confident | 91.1 | Very high | 66 Ų | 66 | 36.5 Ų | 36.5 | 25% | 0.249 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -93.1 | -2.8 | 173.4 | -56.4 | -65.8 | -179.7 | -97.8 | -4.2 | 113.5 | Y26 M29 L30 C32 D35 I36 | Y26-R38 WeakPolarHBondContact CE2-O 3.49Å; M29-R38 PolarHBondContact O-NH1 2.74Å; L30-R38 VanDerWaalsContact CA-NH1 3.32Å; L30-R38 PolarHBondContact O-NH2 3.47Å; C32-R38 VanDerWaalsContact O-CZ 3.22Å; C32-R38 PolarHBondContact O-NH1 3.27Å; C32-R38 PolarHBondContact O-NH2 2.98Å; D35-R38 VanDerWaalsContact O-CB 3.26Å; D35-R38 WeakPolarHBondContact O-CB 3.39Å; D35-R38 PolarHBondContact O-N 2.95Å; I36-R38 PolarHBondContact O-N 2.83Å |
| 39 | S | 90.4 | Very high | 91 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | trans | -95.3 | 117.4 | 173.8 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | D7 I36 R41 Y42 L43 | D7-S39 PolarHBondContact OD1-OG 3.28Å; I36-S39 PolarHBondContact O-N 3.22Å; S39-R41 PolarHBondContact O-N 2.84Å; S39-R41 PolarHBondContact OG-N 3.01Å; S39-Y42 WeakPolarHBondContact O-CB 3.25Å; S39-Y42 PolarHBondContact O-N 3.47Å; S39-Y42 PolarHBondContact OG-N 2.89Å; S39-Y42 VanDerWaalsContact OG-N 3.17Å; S39-L43 WeakPolarHBondContact O-CG 3.31Å; S39-L43 PolarHBondContact O-N 2.6Å | ||
| 40 | K | 92.1 | Very high | 91.1 | Very high | 42 Ų | 42 | 37.5 Ų | 37.5 | 18% | 0.183 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.2 | -35.7 | 173.7 | -71.8 | 176.8 | 176.6 | 172.5 | 0 | 111.4 | D7 L10 E11 L22 Y26 Y42 L43 V44 | D7-K40 HydrophobicContact CB-CB 4.44Å; D7-K40 PolarHBondContact OD1-N 3.06Å; D7-K40 WeakPolarHBondContact OD2-CB 3.47Å; D7-K40 PolarHBondContact OD2-N 3.25Å; L10-K40 VanDerWaalsContact CD2-C 3.46Å; L10-K40 HydrophobicContact CD2-CB 3.76Å; E11-K40 IonicContact OE1-NZ 2.7Å; E11-K40 PolarHBondContact OE1-NZ 3.15Å; L22-K40 HydrophobicContact CD1-CB 4.39Å; L22-K40 HydrophobicContact CD2-CB 4.21Å; Y26-K40 HydrophobicContact CD2-CG 3.64Å; Y26-K40 HydrophobicContact CE2-CG 4.05Å; Y26-K40 HydrophobicContact CG-CG 4.24Å; K40-Y42 VanDerWaalsContact C-N 3.27Å; K40-Y42 PolarHBondContact O-N 3.02Å; K40-L43 PolarHBondContact O-N 2.96Å; K40-V44 WeakPolarHBondContact O-CB 3.47Å; K40-V44 PolarHBondContact O-N 2.87Å |
| 41 | R | 90.2 | Very high | 91.3 | Very high | 13 Ų | 13 | 39.3 Ų | 39.3 | 5% | 0.049 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.8 | -30.7 | 174.5 | -178.7 | -170.9 | -75.2 | -129.9 | 4.9 | 113 | Y6 D7 L8 L10 S39 V44 R45 S146 C152 I153 D154 | Y6-R41 PolarHBondContact O-NE 2.85Å; Y6-R41 PolarHBondContact O-NH2 3.05Å; Y6-R41 VanDerWaalsContact O-NH2 3.17Å; D7-R41 WeakPolarHBondContact OD1-CB 3.45Å; D7-R41 PolarHBondContact OD1-N 3.08Å; L8-R41 PolarHBondContact O-NH2 2.83Å; L10-R41 HydrophobicContact CD2-CB 4.11Å; S39-R41 PolarHBondContact O-N 2.84Å; S39-R41 PolarHBondContact OG-N 3.01Å; R41-V44 WeakPolarHBondContact O-CG1 3.18Å; R41-R45 PolarHBondContact O-NE 3.44Å; R41-R45 VanDerWaalsContact O-NE 3.09Å; R41-S146 PolarHBondContact NH1-OG 3.43Å; R41-S146 PolarHBondContact NH2-OG 2.79Å; R41-C152 VanDerWaalsContact CZ-SG 3.53Å; R41-I153 PolarHBondContact NH1-O 3.37Å; R41-D154 HydrophobicContact CG-CB 4.33Å |
| 42 | Y | 90.6 | Very high | 91.7 | Very high | 9 Ų | 9 | 37.4 Ų | 37.4 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73 | -46.3 | 172 | -173.7 | -100.9 | 0 | 0 | 0 | 110.7 | W2 I36 S39 K40 V44 R45 W46 L61 H64 | W2-Y42 HydrophobicContact CH2-CD2 4.12Å; W2-Y42 AromaticContact CZ3-CD2 4Å; W2-Y42 HydrophobicContact CZ3-CD2 4Å; I36-Y42 HydrophobicContact CD1-CD1 4.45Å; I36-Y42 HydrophobicContact CD1-CD2 3.89Å; I36-Y42 HydrophobicContact CD1-CE1 4Å; I36-Y42 HydrophobicContact CD1-CE2 3.38Å; I36-Y42 HydrophobicContact CD1-CG 4.38Å; I36-Y42 VanDerWaalsContact CD1-CZ 3.4Å; I36-Y42 HydrophobicContact CG1-CD1 3.75Å; I36-Y42 HydrophobicContact CG1-CD2 3.73Å; I36-Y42 HydrophobicContact CG1-CE1 3.69Å; I36-Y42 HydrophobicContact CG1-CE2 3.69Å; I36-Y42 HydrophobicContact CG1-CG 3.74Å; I36-Y42 HydrophobicContact CG2-CE1 4.28Å; I36-Y42 WeakPolarHBondContact O-CD1 3.49Å; S39-Y42 WeakPolarHBondContact O-CB 3.25Å; S39-Y42 PolarHBondContact O-N 3.47Å; S39-Y42 PolarHBondContact OG-N 2.89Å; S39-Y42 VanDerWaalsContact OG-N 3.17Å; K40-Y42 VanDerWaalsContact C-N 3.27Å; K40-Y42 PolarHBondContact O-N 3.02Å; Y42-V44 PolarHBondContact O-N 2.53Å; Y42-R45 PolarHBondContact O-N 2.94Å; Y42-W46 AromaticContact CD1-NE1 3.68Å; Y42-W46 HydrophobicContact CE1-CZ2 4.17Å; Y42-W46 AromaticContact CE1-NE1 3.39Å; Y42-W46 HydrophobicContact CE2-CZ2 4.42Å; Y42-W46 AromaticContact CZ-CZ2 3.79Å; Y42-W46 AromaticContact CZ-NE1 3.79Å; Y42-W46 PolarHBondContact O-NE1 2.81Å; Y42-L61 HydrophobicContact CE1-CD1 3.73Å; Y42-H64 PolarHBondContact OH-CD2 3.41Å; Y42-H64 PolarHBondContact OH-NE2 3.4Å |
| 43 | L | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.6 | -40.2 | -177.6 | -65.7 | -173.2 | 0 | 0 | 0 | 114 | L22 F25 Y26 M29 S39 K40 R45 W46 L47 L61 | L22-L43 HydrophobicContact CD1-CB 4.17Å; F25-L43 HydrophobicContact CD1-CB 3.91Å; F25-L43 HydrophobicContact CD1-CD1 4.42Å; F25-L43 HydrophobicContact CE1-CB 3.94Å; F25-L43 HydrophobicContact CE1-CD2 3.97Å; F25-L43 HydrophobicContact CE1-CG 4.4Å; F25-L43 HydrophobicContact CZ-CD2 4.45Å; Y26-L43 HydrophobicContact CD2-CD1 3.78Å; Y26-L43 HydrophobicContact CG-CD1 4.36Å; M29-L43 HydrophobicContact CB-CD1 4.07Å; M29-L43 HydrophobicContact CB-CD2 4.28Å; M29-L43 HydrophobicContact CG-CD1 4.16Å; M29-L43 HydrophobicContact CG-CD2 3.89Å; S39-L43 WeakPolarHBondContact O-CG 3.31Å; S39-L43 PolarHBondContact O-N 2.6Å; K40-L43 PolarHBondContact O-N 2.96Å; L43-R45 PolarHBondContact O-N 2.63Å; L43-W46 PolarHBondContact O-N 3.36Å; L43-W46 VanDerWaalsContact O-N 3.13Å; L43-L47 PolarHBondContact O-N 3.14Å; L43-L61 HydrophobicContact CD2-CD2 3.66Å |
| 44 | V | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.7 | -26.3 | -176 | 76 | 0 | 0 | 0 | 0 | 113.3 | L10 L14 L22 K40 R41 Y42 L47 R48 W52 | L10-V44 HydrophobicContact CD1-CG1 4.03Å; L10-V44 HydrophobicContact CD2-CG1 4.44Å; L14-V44 HydrophobicContact CD1-CG2 4.27Å; L14-V44 HydrophobicContact CD2-CG2 4.32Å; L22-V44 HydrophobicContact CD1-CB 4.14Å; L22-V44 HydrophobicContact CD2-CG2 4.47Å; K40-V44 WeakPolarHBondContact O-CB 3.47Å; K40-V44 PolarHBondContact O-N 2.87Å; R41-V44 WeakPolarHBondContact O-CG1 3.18Å; Y42-V44 PolarHBondContact O-N 2.53Å; V44-L47 PolarHBondContact O-N 3.43Å; V44-R48 HydrophobicContact CG2-CG 4.43Å; V44-R48 WeakPolarHBondContact O-CG 3.43Å; V44-R48 PolarHBondContact O-N 2.94Å; V44-W52 HydrophobicContact CG2-CH2 3.63Å; V44-W52 HydrophobicContact CG2-CZ2 4.43Å; V44-W52 HydrophobicContact CG2-CZ3 4.19Å |
| 45 | R | 94.4 | Very high | 93.2 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 3% | 0.034 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.9 | -38 | -179.6 | -60.4 | 179.4 | -138.8 | -170.8 | 5.7 | 112.3 | R41 Y42 L43 A49 I138 P190 E191 | R41-R45 PolarHBondContact O-NE 3.44Å; R41-R45 VanDerWaalsContact O-NE 3.09Å; Y42-R45 PolarHBondContact O-N 2.94Å; L43-R45 PolarHBondContact O-N 2.63Å; R45-A49 VanDerWaalsContact O-CB 3.31Å; R45-A49 WeakPolarHBondContact O-CB 3.32Å; R45-A49 PolarHBondContact O-N 2.89Å; R45-I138 VanDerWaalsContact NH1-CD1 3.33Å; R45-I138 VanDerWaalsContact NH1-CG1 3.27Å; R45-P190 HydrophobicContact CB-CG 4.33Å; R45-E191 HydrophobicContact CB-CB 4.41Å |
| 46 | W | 95.9 | Very high | 93.8 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -69.6 | -40.3 | 177.9 | -50.4 | 95.1 | 0 | 0 | 0 | 110.6 | F25 Y42 L43 A49 R50 A57 M60 L61 H64 P190 | F25-W46 HydrophobicContact CE1-CB 4.24Å; Y42-W46 AromaticContact CD1-NE1 3.68Å; Y42-W46 HydrophobicContact CE1-CZ2 4.17Å; Y42-W46 AromaticContact CE1-NE1 3.39Å; Y42-W46 HydrophobicContact CE2-CZ2 4.42Å; Y42-W46 AromaticContact CZ-CZ2 3.79Å; Y42-W46 AromaticContact CZ-NE1 3.79Å; Y42-W46 PolarHBondContact O-NE1 2.81Å; L43-W46 PolarHBondContact O-N 3.36Å; L43-W46 VanDerWaalsContact O-N 3.13Å; W46-A49 PolarHBondContact O-N 3.39Å; W46-R50 PolarHBondContact O-N 3.05Å; W46-R50 VanDerWaalsContact O-N 3.16Å; W46-A57 HydrophobicContact CB-CB 4.11Å; W46-M60 HydrophobicContact CE3-CB 4.28Å; W46-M60 HydrophobicContact CE3-CE 4.2Å; W46-M60 HydrophobicContact CE3-CG 3.74Å; W46-M60 HydrophobicContact CE3-SD 3.87Å; W46-M60 HydrophobicContact CZ3-CE 3.98Å; W46-M60 HydrophobicContact CZ3-CG 3.89Å; W46-M60 HydrophobicContact CZ3-SD 4.2Å; W46-L61 HydrophobicContact CD2-CB 4.04Å; W46-L61 HydrophobicContact CD2-CD1 4.11Å; W46-L61 HydrophobicContact CE3-CB 4.33Å; W46-L61 HydrophobicContact CG-CB 4.12Å; W46-L61 HydrophobicContact CG-CD1 4.45Å; W46-L61 HydrophobicContact CZ2-CD1 3.99Å; W46-H64 HydrophobicContact CH2-CB 3.42Å; W46-H64 VanDerWaalsContact CH2-CB 3.42Å; W46-H64 AromaticContact CH2-CD2 3.35Å; W46-H64 WeakPolarHBondContact CH2-CD2 3.32Å; W46-H64 AromaticContact CH2-CG 3.24Å; W46-H64 AromaticContact CH2-ND1 3.82Å; W46-H64 AromaticContact CH2-NE2 3.97Å; W46-H64 HydrophobicContact CZ2-CB 4.22Å; W46-H64 AromaticContact CZ2-CD2 3.42Å; W46-H64 VanDerWaalsContact CZ2-CD2 3.42Å; W46-H64 WeakPolarHBondContact CZ2-CD2 3.32Å; W46-H64 AromaticContact CZ2-CG 3.83Å; W46-H64 AromaticContact CZ2-NE2 3.95Å; W46-H64 HydrophobicContact CZ3-CB 3.75Å; W46-P190 HydrophobicContact CD2-CG 4.06Å; W46-P190 HydrophobicContact CE3-CG 3.7Å; W46-P190 HydrophobicContact CH2-CG 3.96Å; W46-P190 HydrophobicContact CZ2-CG 4.33Å; W46-P190 HydrophobicContact CZ3-CG 3.65Å |
| 47 | L | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.1 | -53.8 | 172.9 | -71.6 | 171.6 | 0 | 0 | 0 | 111.4 | V21 L22 F25 L43 V44 A49 R50 S51 W52 V54 A57 | V21-L47 HydrophobicContact CG1-CD1 4.33Å; V21-L47 HydrophobicContact CG1-CD2 3.93Å; L22-L47 HydrophobicContact CB-CD1 4.18Å; L22-L47 HydrophobicContact CD1-CD1 3.96Å; F25-L47 HydrophobicContact CB-CD1 3.94Å; F25-L47 HydrophobicContact CB-CD2 4.09Å; F25-L47 HydrophobicContact CB-CG 4.34Å; F25-L47 HydrophobicContact CD1-CD1 3.72Å; F25-L47 HydrophobicContact CD1-CD2 3.93Å; F25-L47 HydrophobicContact CD1-CG 3.59Å; F25-L47 HydrophobicContact CE1-CG 4.16Å; F25-L47 HydrophobicContact CG-CD1 4.21Å; F25-L47 HydrophobicContact CG-CD2 4.03Å; F25-L47 HydrophobicContact CG-CG 4.17Å; L43-L47 PolarHBondContact O-N 3.14Å; V44-L47 PolarHBondContact O-N 3.43Å; L47-A49 VanDerWaalsContact C-N 3.27Å; L47-A49 PolarHBondContact O-N 3.49Å; L47-R50 CarbonylContact O-C 3.57Å; L47-R50 PolarHBondContact O-N 3.4Å; L47-S51 PolarHBondContact O-N 2.8Å; L47-S51 VanDerWaalsContact O-N 3.1Å; L47-W52 HydrophobicContact CB-CD2 4.22Å; L47-W52 HydrophobicContact CB-CE3 3.76Å; L47-W52 HydrophobicContact CB-CZ3 4.1Å; L47-W52 HydrophobicContact CD1-CE3 3.94Å; L47-W52 HydrophobicContact CD1-CZ3 3.89Å; L47-W52 HydrophobicContact CG-CE3 4.35Å; L47-W52 PolarHBondContact O-N 3.42Å; L47-V54 HydrophobicContact CD2-CG2 4.3Å; L47-A57 HydrophobicContact CD2-CB 3.88Å; L47-A57 HydrophobicContact CG-CB 4.39Å |
| 48 | R | 95.1 | Very high | 94.5 | Very high | 45 Ų | 45 | 35.6 Ų | 35.6 | 17% | 0.17 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.6 | -41 | 178.2 | -73.4 | 176.9 | -175.4 | 159.3 | 4.1 | 112 | V44 R50 S51 W52 D154 E191 | V44-R48 HydrophobicContact CG2-CG 4.43Å; V44-R48 WeakPolarHBondContact O-CG 3.43Å; V44-R48 PolarHBondContact O-N 2.94Å; R48-R50 PolarHBondContact O-N 3.14Å; R48-S51 PolarHBondContact O-N 3.5Å; R48-W52 HydrophobicContact CG-CZ2 3.84Å; R48-D154 IonicContact CZ-OD2 2.98Å; R48-D154 IonicContact NH1-OD1 3.98Å; R48-D154 IonicContact NH1-OD2 2.68Å; R48-D154 PolarHBondContact NH1-OD2 3.23Å; R48-D154 IonicContact NH2-OD2 3.39Å; R48-E191 HydrophobicContact CB-CB 4.39Å; R48-E191 HydrophobicContact CB-CG 3.68Å |
| 49 | A | 93.7 | Very high | 94.8 | Very high | 14 Ų | 14 | 38.2 Ų | 38.2 | 12% | 0.116 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.5 | -16.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R45 W46 L47 M60 P190 E191 | R45-A49 VanDerWaalsContact O-CB 3.31Å; R45-A49 WeakPolarHBondContact O-CB 3.32Å; R45-A49 PolarHBondContact O-N 2.89Å; W46-A49 PolarHBondContact O-N 3.39Å; L47-A49 VanDerWaalsContact C-N 3.27Å; L47-A49 PolarHBondContact O-N 3.49Å; A49-M60 HydrophobicContact CB-SD 4.27Å; A49-P190 HydrophobicContact CB-CB 3.48Å; A49-P190 VanDerWaalsContact CB-CB 3.48Å; A49-P190 HydrophobicContact CB-CG 4.45Å; A49-E191 HydrophobicContact CB-CG 4.23Å |
| 50 | R | 95.2 | Very high | 94.9 | Very high | 95 Ų | 95 | 38.9 Ų | 38.9 | 36% | 0.358 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118 | 27.9 | 177.2 | -64.4 | -64.5 | 176.1 | -97.7 | 2.9 | 112.1 | W46 L47 R48 W52 D53 E56 A57 M60 | W46-R50 PolarHBondContact O-N 3.05Å; W46-R50 VanDerWaalsContact O-N 3.16Å; L47-R50 CarbonylContact O-C 3.57Å; L47-R50 PolarHBondContact O-N 3.4Å; R48-R50 PolarHBondContact O-N 3.14Å; R50-W52 PolarHBondContact O-N 3.24Å; R50-W52 VanDerWaalsContact O-N 3.16Å; R50-D53 VanDerWaalsContact O-CB 3.28Å; R50-D53 WeakPolarHBondContact O-CB 3.5Å; R50-D53 PolarHBondContact O-N 2.9Å; R50-E56 HydrophobicContact CB-CB 4.04Å; R50-E56 HydrophobicContact CG-CB 4.06Å; R50-A57 HydrophobicContact CB-CB 4.37Å; R50-M60 HydrophobicContact CG-SD 4.27Å; R50-M60 PolarHBondContact NH2-SD 3.24Å |
| 51 | S | 94.4 | Very high | 95.1 | Very high | 100 Ų | 100 | 36.9 Ų | 36.9 | 70% | 0.699 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | 38.4 | 175.5 | -54.9 | 0 | 0 | 0 | 0 | 112.9 | L47 R48 D53 | L47-S51 PolarHBondContact O-N 2.8Å; L47-S51 VanDerWaalsContact O-N 3.1Å; R48-S51 PolarHBondContact O-N 3.5Å; S51-D53 PolarHBondContact O-N 3.48Å |
| 52 | W | 96.4 | Very high | 95.1 | Very high | 54 Ų | 54 | 40.8 Ų | 40.8 | 21% | 0.205 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 18.9 | -178.6 | -57.3 | 93 | 0 | 0 | 0 | 115.1 | L14 E18 V21 L22 V44 L47 R48 R50 V54 | L14-W52 HydrophobicContact CD1-CH2 4.24Å; L14-W52 HydrophobicContact CD2-CH2 3.82Å; L14-W52 HydrophobicContact CD2-CZ2 4.22Å; E18-W52 HydrophobicContact CB-CD2 4.45Å; E18-W52 HydrophobicContact CB-CE3 4.21Å; E18-W52 HydrophobicContact CB-CH2 3.5Å; E18-W52 HydrophobicContact CB-CZ2 3.75Å; E18-W52 HydrophobicContact CB-CZ3 3.75Å; E18-W52 VanDerWaalsContact CD-CZ2 3.43Å; E18-W52 HydrophobicContact CG-CD2 3.98Å; E18-W52 HydrophobicContact CG-CE3 4.25Å; E18-W52 HydrophobicContact CG-CH2 3.75Å; E18-W52 HydrophobicContact CG-CZ2 3.41Å; E18-W52 VanDerWaalsContact CG-CZ2 3.41Å; E18-W52 HydrophobicContact CG-CZ3 4.15Å; E18-W52 VanDerWaalsContact O-CZ3 3.28Å; E18-W52 WeakPolarHBondContact O-CZ3 3.47Å; E18-W52 VanDerWaalsContact OE1-CZ2 3.22Å; E18-W52 WeakPolarHBondContact OE1-CZ2 3.44Å; E18-W52 PolarHBondContact OE1-NE1 3.43Å; V21-W52 HydrophobicContact CB-CE3 4.14Å; V21-W52 HydrophobicContact CG1-CB 4.33Å; V21-W52 HydrophobicContact CG1-CE3 4.04Å; V21-W52 WeakPolarHBondContact CG1-O 3.47Å; L22-W52 HydrophobicContact CB-CZ3 4.4Å; V44-W52 HydrophobicContact CG2-CH2 3.63Å; V44-W52 HydrophobicContact CG2-CZ2 4.43Å; V44-W52 HydrophobicContact CG2-CZ3 4.19Å; L47-W52 HydrophobicContact CB-CD2 4.22Å; L47-W52 HydrophobicContact CB-CE3 3.76Å; L47-W52 HydrophobicContact CB-CZ3 4.1Å; L47-W52 HydrophobicContact CD1-CE3 3.94Å; L47-W52 HydrophobicContact CD1-CZ3 3.89Å; L47-W52 HydrophobicContact CG-CE3 4.35Å; L47-W52 PolarHBondContact O-N 3.42Å; R48-W52 HydrophobicContact CG-CZ2 3.84Å; R50-W52 PolarHBondContact O-N 3.24Å; R50-W52 VanDerWaalsContact O-N 3.16Å; W52-V54 PolarHBondContact O-N 2.92Å |
| 53 | D | 97.1 | Very high | 95 | Very high | 73 Ų | 73 | 44.2 Ų | 44.2 | 39% | 0.39 | 22% | 0.221 | S | C | . | . | trans | -77.2 | 115.4 | 168 | -171.5 | -58.8 | 0 | 0 | 0 | 110.4 | R50 S51 D55 E56 A57 | R50-D53 VanDerWaalsContact O-CB 3.28Å; R50-D53 WeakPolarHBondContact O-CB 3.5Å; R50-D53 PolarHBondContact O-N 2.9Å; S51-D53 PolarHBondContact O-N 3.48Å; D53-D55 PolarHBondContact OD1-N 2.93Å; D53-E56 HydrophobicContact CB-CB 4.15Å; D53-E56 HydrophobicContact CB-CG 4.44Å; D53-E56 PolarHBondContact OD1-N 3.19Å; D53-A57 WeakPolarHBondContact O-CB 3.48Å; D53-A57 PolarHBondContact O-N 3.02Å | ||
| 54 | V | 97.5 | Very high | 94.8 | Very high | 13 Ų | 13 | 44.4 Ų | 44.4 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.4 | -40.8 | -175.5 | -177.8 | 0 | 0 | 0 | 0 | 111.8 | V21 F25 L47 W52 E58 | V21-V54 HydrophobicContact CG1-CG2 3.68Å; F25-V54 HydrophobicContact CB-CG1 4.19Å; F25-V54 HydrophobicContact CD2-CG1 3.82Å; F25-V54 HydrophobicContact CG-CG1 4.38Å; L47-V54 HydrophobicContact CD2-CG2 4.3Å; W52-V54 PolarHBondContact O-N 2.92Å; V54-E58 VanDerWaalsContact O-CB 3.28Å; V54-E58 WeakPolarHBondContact O-CB 3.47Å; V54-E58 PolarHBondContact O-N 3.39Å |
| 55 | D | 96.7 | Very high | 94.5 | Very high | 84 Ų | 84 | 45 Ų | 45 | 45% | 0.449 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -71.5 | -40.6 | -175.5 | -65 | -24.8 | 0 | 0 | 0 | 110.7 | R28 D53 K59 | R28-D55 IonicContact CZ-OD1 3.85Å; R28-D55 IonicContact NH1-OD1 2.66Å; R28-D55 PolarHBondContact NH1-OD1 2.93Å; R28-D55 IonicContact NH2-OD1 3.85Å; R28-D55 PolarHBondContact NH2-OD1 2.92Å; R28-D55 VanDerWaalsContact NH2-OD1 3.15Å; D53-D55 PolarHBondContact OD1-N 2.93Å; D55-K59 VanDerWaalsContact O-CG 3.3Å; D55-K59 WeakPolarHBondContact O-CG 3.27Å; D55-K59 PolarHBondContact O-N 2.81Å; D55-K59 VanDerWaalsContact O-N 3.11Å |
| 56 | E | 96.9 | Very high | 94.1 | Very high | 80 Ų | 80 | 50.6 Ų | 50.6 | 37% | 0.374 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -72.4 | -36 | 176.3 | -68.1 | -58.8 | 124.5 | 0 | 0 | 112.4 | R50 D53 K59 M60 | R50-E56 HydrophobicContact CB-CB 4.04Å; R50-E56 HydrophobicContact CG-CB 4.06Å; D53-E56 HydrophobicContact CB-CB 4.15Å; D53-E56 HydrophobicContact CB-CG 4.44Å; D53-E56 PolarHBondContact OD1-N 3.19Å; E56-K59 IonicContact OE1-NZ 3.24Å; E56-K59 PolarHBondContact OE1-NZ 2.71Å; E56-M60 WeakPolarHBondContact O-CB 3.43Å; E56-M60 PolarHBondContact O-N 3.42Å |
| 57 | A | 96.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -43 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F25 W46 L47 R50 D53 M60 L61 | F25-A57 HydrophobicContact CE1-CB 4.33Å; F25-A57 HydrophobicContact CE2-CB 4.4Å; F25-A57 HydrophobicContact CZ-CB 4.07Å; W46-A57 HydrophobicContact CB-CB 4.11Å; L47-A57 HydrophobicContact CD2-CB 3.88Å; L47-A57 HydrophobicContact CG-CB 4.39Å; R50-A57 HydrophobicContact CB-CB 4.37Å; D53-A57 WeakPolarHBondContact O-CB 3.48Å; D53-A57 PolarHBondContact O-N 3.02Å; A57-M60 PolarHBondContact O-N 3.49Å; A57-L61 WeakPolarHBondContact O-CB 3.16Å; A57-L61 PolarHBondContact O-N 3.4Å |
| 58 | E | 95.7 | Very high | 93.3 | Very high | 45 Ų | 45 | 52.8 Ų | 52.8 | 21% | 0.21 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.9 | -48.6 | 176.9 | -171.9 | 170.7 | 172.7 | 0 | 0 | 111.6 | F25 R28 M29 V54 M60 L61 Y62 | F25-E58 HydrophobicContact CE2-CB 3.87Å; F25-E58 HydrophobicContact CE2-CG 4.45Å; R28-E58 WeakPolarHBondContact CD-OE2 3.31Å; R28-E58 IonicContact CZ-OE2 3.74Å; R28-E58 IonicContact NH1-OE2 2.81Å; R28-E58 PolarHBondContact NH1-OE2 3.19Å; M29-E58 HydrophobicContact SD-CG 4.33Å; V54-E58 VanDerWaalsContact O-CB 3.28Å; V54-E58 WeakPolarHBondContact O-CB 3.47Å; V54-E58 PolarHBondContact O-N 3.39Å; E58-M60 PolarHBondContact O-N 2.94Å; E58-L61 PolarHBondContact O-N 2.89Å; E58-Y62 HydrophobicContact CG-CD2 3.78Å; E58-Y62 HydrophobicContact CG-CE2 3.58Å; E58-Y62 VanDerWaalsContact O-CD2 3.29Å; E58-Y62 WeakPolarHBondContact O-CD2 3.36Å; E58-Y62 PolarHBondContact O-N 3.49Å |
| 59 | K | 94.6 | Very high | 92.6 | Very high | 121 Ų | 121 | 55.2 Ų | 55.2 | 53% | 0.526 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.3 | -44.4 | 176.2 | -70.8 | 170.2 | -165 | 167.4 | 0 | 112.6 | D55 E56 S63 | D55-K59 VanDerWaalsContact O-CG 3.3Å; D55-K59 WeakPolarHBondContact O-CG 3.27Å; D55-K59 PolarHBondContact O-N 2.81Å; D55-K59 VanDerWaalsContact O-N 3.11Å; E56-K59 IonicContact OE1-NZ 3.24Å; E56-K59 PolarHBondContact OE1-NZ 2.71Å; K59-S63 PolarHBondContact O-N 3.36Å; K59-S63 VanDerWaalsContact O-N 3.1Å; K59-S63 PolarHBondContact O-OG 3.12Å |
| 60 | M | 93.6 | Very high | 91.8 | Very high | 16 Ų | 16 | 58.4 Ų | 58.4 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 178.1 | -172.9 | -176.7 | -179.5 | 0 | 0 | 110.9 | W46 A49 R50 E56 A57 E58 S63 H64 A187 P190 | W46-M60 HydrophobicContact CE3-CB 4.28Å; W46-M60 HydrophobicContact CE3-CE 4.2Å; W46-M60 HydrophobicContact CE3-CG 3.74Å; W46-M60 HydrophobicContact CE3-SD 3.87Å; W46-M60 HydrophobicContact CZ3-CE 3.98Å; W46-M60 HydrophobicContact CZ3-CG 3.89Å; W46-M60 HydrophobicContact CZ3-SD 4.2Å; A49-M60 HydrophobicContact CB-SD 4.27Å; R50-M60 HydrophobicContact CG-SD 4.27Å; R50-M60 PolarHBondContact NH2-SD 3.24Å; E56-M60 WeakPolarHBondContact O-CB 3.43Å; E56-M60 PolarHBondContact O-N 3.42Å; A57-M60 PolarHBondContact O-N 3.49Å; E58-M60 PolarHBondContact O-N 2.94Å; M60-S63 PolarHBondContact O-N 3.24Å; M60-H64 PolarHBondContact O-N 3.39Å; M60-A187 WeakPolarHBondContact CE-O 3.35Å; M60-P190 HydrophobicContact CE-CB 4.05Å; M60-P190 HydrophobicContact CE-CG 4.03Å |
| 61 | L | 94.7 | Very high | 91 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.9 | -47.1 | 178.3 | 174.5 | 54.2 | 0 | 0 | 0 | 111.6 | F25 M29 Y42 L43 W46 A57 E58 S63 H64 L65 | F25-L61 HydrophobicContact CE1-CD2 4.42Å; F25-L61 HydrophobicContact CZ-CD2 3.85Å; M29-L61 HydrophobicContact CE-CD2 3.56Å; M29-L61 HydrophobicContact CE-CG 4.28Å; M29-L61 HydrophobicContact CG-CD2 4.27Å; M29-L61 HydrophobicContact SD-CD2 3.92Å; Y42-L61 HydrophobicContact CE1-CD1 3.73Å; L43-L61 HydrophobicContact CD2-CD2 3.66Å; W46-L61 HydrophobicContact CD2-CB 4.04Å; W46-L61 HydrophobicContact CD2-CD1 4.11Å; W46-L61 HydrophobicContact CE3-CB 4.33Å; W46-L61 HydrophobicContact CG-CB 4.12Å; W46-L61 HydrophobicContact CG-CD1 4.45Å; W46-L61 HydrophobicContact CZ2-CD1 3.99Å; A57-L61 WeakPolarHBondContact O-CB 3.16Å; A57-L61 PolarHBondContact O-N 3.4Å; E58-L61 PolarHBondContact O-N 2.89Å; L61-S63 VanDerWaalsContact C-N 3.31Å; L61-S63 PolarHBondContact O-N 2.95Å; L61-H64 CarbonylContact O-C 3.48Å; L61-H64 WeakPolarHBondContact O-CA 3.42Å; L61-H64 WeakPolarHBondContact O-CB 3.18Å; L61-H64 PolarHBondContact O-N 2.95Å; L61-H64 VanDerWaalsContact O-N 3.1Å; L61-L65 HydrophobicContact CD1-CD1 4.1Å; L61-L65 HydrophobicContact CD1-CD2 4.07Å; L61-L65 HydrophobicContact CD1-CG 3.85Å; L61-L65 HydrophobicContact CG-CD1 4.1Å; L61-L65 HydrophobicContact CG-CG 4.31Å; L61-L65 VanDerWaalsContact O-CG 3.32Å; L61-L65 WeakPolarHBondContact O-CG 3.23Å; L61-L65 PolarHBondContact O-N 3.01Å |
| 62 | Y | 91.1 | Very high | 90.3 | Very high | 94 Ų | 94 | 54.1 Ų | 54.1 | 37% | 0.369 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62 | -37.9 | 177.4 | -83 | -65.9 | 0 | 0 | 0 | 113 | E58 H64 L65 K66 | E58-Y62 HydrophobicContact CG-CD2 3.78Å; E58-Y62 HydrophobicContact CG-CE2 3.58Å; E58-Y62 VanDerWaalsContact O-CD2 3.29Å; E58-Y62 WeakPolarHBondContact O-CD2 3.36Å; E58-Y62 PolarHBondContact O-N 3.49Å; Y62-H64 VanDerWaalsContact C-N 3.3Å; Y62-H64 PolarHBondContact O-N 3.05Å; Y62-L65 HydrophobicContact CD1-CD1 4.28Å; Y62-L65 PolarHBondContact O-N 3.3Å; Y62-K66 PolarHBondContact O-N 2.95Å |
| 63 | S | 88.5 | Confident | 89.8 | Confident | 82 Ų | 82 | 51.6 Ų | 51.6 | 57% | 0.573 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -60.9 | -42.3 | 173.9 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | K59 M60 L61 W67 | K59-S63 PolarHBondContact O-N 3.36Å; K59-S63 VanDerWaalsContact O-N 3.1Å; K59-S63 PolarHBondContact O-OG 3.12Å; M60-S63 PolarHBondContact O-N 3.24Å; L61-S63 VanDerWaalsContact C-N 3.31Å; L61-S63 PolarHBondContact O-N 2.95Å; S63-W67 PolarHBondContact O-N 2.9Å; S63-W67 VanDerWaalsContact O-N 3.08Å |
| 64 | H | 90.8 | Very high | 89.3 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 1% | 0.014 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 174.4 | 173.5 | 68.9 | 0 | 0 | 0 | 112.6 | Y42 W46 M60 L61 Y62 K66 W67 R68 N188 | Y42-H64 PolarHBondContact OH-CD2 3.41Å; Y42-H64 PolarHBondContact OH-NE2 3.4Å; W46-H64 HydrophobicContact CH2-CB 3.42Å; W46-H64 VanDerWaalsContact CH2-CB 3.42Å; W46-H64 AromaticContact CH2-CD2 3.35Å; W46-H64 WeakPolarHBondContact CH2-CD2 3.32Å; W46-H64 AromaticContact CH2-CG 3.24Å; W46-H64 AromaticContact CH2-ND1 3.82Å; W46-H64 AromaticContact CH2-NE2 3.97Å; W46-H64 HydrophobicContact CZ2-CB 4.22Å; W46-H64 AromaticContact CZ2-CD2 3.42Å; W46-H64 VanDerWaalsContact CZ2-CD2 3.42Å; W46-H64 WeakPolarHBondContact CZ2-CD2 3.32Å; W46-H64 AromaticContact CZ2-CG 3.83Å; W46-H64 AromaticContact CZ2-NE2 3.95Å; W46-H64 HydrophobicContact CZ3-CB 3.75Å; M60-H64 PolarHBondContact O-N 3.39Å; L61-H64 CarbonylContact O-C 3.48Å; L61-H64 WeakPolarHBondContact O-CA 3.42Å; L61-H64 WeakPolarHBondContact O-CB 3.18Å; L61-H64 PolarHBondContact O-N 2.95Å; L61-H64 VanDerWaalsContact O-N 3.1Å; Y62-H64 VanDerWaalsContact C-N 3.3Å; Y62-H64 PolarHBondContact O-N 3.05Å; H64-K66 VanDerWaalsContact C-N 3.32Å; H64-K66 PolarHBondContact O-N 2.99Å; H64-W67 AromaticContact CE1-CE3 3.84Å; H64-W67 AromaticContact CE1-CZ3 3.77Å; H64-W67 AromaticContact ND1-CE3 3.64Å; H64-W67 AromaticContact ND1-CZ3 3.98Å; H64-W67 CarbonylContact O-C 3.51Å; H64-W67 WeakPolarHBondContact O-CA 3.4Å; H64-W67 WeakPolarHBondContact O-CB 3.41Å; H64-W67 PolarHBondContact O-N 2.84Å; H64-W67 VanDerWaalsContact O-N 3.08Å; H64-R68 VanDerWaalsContact NE2-CD 3.26Å; H64-R68 WeakPolarHBondContact NE2-CD 3.45Å; H64-R68 WeakPolarHBondContact NE2-CG 3.25Å; H64-R68 PolarHBondContact NE2-NH1 2.83Å; H64-R68 WeakPolarHBondContact O-CG 3.28Å; H64-R68 PolarHBondContact O-N 2.93Å; H64-N188 PolarHBondContact CE1-O 3.03Å; H64-N188 VanDerWaalsContact CE1-O 3.3Å; H64-N188 WeakPolarHBondContact ND1-CB 3.43Å; H64-N188 PolarHBondContact ND1-OD1 2.87Å |
| 65 | L | 88.1 | Confident | 88.7 | Confident | 14 Ų | 14 | 54 Ų | 54 | 7% | 0.073 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.2 | -40.7 | 179.9 | -66.1 | 174.4 | 0 | 0 | 0 | 111.7 | L34 I36 L61 Y62 R68 D69 | L34-L65 HydrophobicContact CD1-CB 4.35Å; L34-L65 HydrophobicContact CD1-CD1 4.17Å; L34-L65 HydrophobicContact CD1-CD2 3.82Å; L34-L65 HydrophobicContact CD1-CG 4.31Å; I36-L65 HydrophobicContact CG2-CD2 4.04Å; L61-L65 HydrophobicContact CD1-CD1 4.1Å; L61-L65 HydrophobicContact CD1-CD2 4.07Å; L61-L65 HydrophobicContact CD1-CG 3.85Å; L61-L65 HydrophobicContact CG-CD1 4.1Å; L61-L65 HydrophobicContact CG-CG 4.31Å; L61-L65 VanDerWaalsContact O-CG 3.32Å; L61-L65 WeakPolarHBondContact O-CG 3.23Å; L61-L65 PolarHBondContact O-N 3.01Å; Y62-L65 HydrophobicContact CD1-CD1 4.28Å; Y62-L65 PolarHBondContact O-N 3.3Å; L65-R68 PolarHBondContact O-N 3.49Å; L65-D69 PolarHBondContact O-N 2.86Å |
| 66 | K | 85.6 | Confident | 88.1 | Confident | 125 Ų | 125 | 50.1 Ų | 50.1 | 54% | 0.543 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 172.1 | -175.9 | 177.8 | 177.1 | -177.3 | 0 | 111.3 | Y62 H64 R68 D69 V70 D306 | Y62-K66 PolarHBondContact O-N 2.95Å; H64-K66 VanDerWaalsContact C-N 3.32Å; H64-K66 PolarHBondContact O-N 2.99Å; K66-R68 PolarHBondContact O-N 3.47Å; K66-D69 PolarHBondContact O-N 2.79Å; K66-V70 WeakPolarHBondContact O-CG2 3.42Å; K66-V70 PolarHBondContact O-N 2.79Å; K66-V70 VanDerWaalsContact O-N 3.15Å; K66-D306 IonicContact NZ-OD2 3.93Å; K66-D306 PolarHBondContact NZ-OD2 2.63Å |
| 67 | W | 88.7 | Confident | 87.6 | Confident | 44 Ų | 44 | 47.6 Ų | 47.6 | 17% | 0.167 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.1 | -39.4 | 176.6 | 172.5 | 87.1 | 0 | 0 | 0 | 112.6 | S63 H64 D69 V70 Q71 V73 I131 I184 N188 Y189 | S63-W67 PolarHBondContact O-N 2.9Å; S63-W67 VanDerWaalsContact O-N 3.08Å; H64-W67 AromaticContact CE1-CE3 3.84Å; H64-W67 AromaticContact CE1-CZ3 3.77Å; H64-W67 AromaticContact ND1-CE3 3.64Å; H64-W67 AromaticContact ND1-CZ3 3.98Å; H64-W67 CarbonylContact O-C 3.51Å; H64-W67 WeakPolarHBondContact O-CA 3.4Å; H64-W67 WeakPolarHBondContact O-CB 3.41Å; H64-W67 PolarHBondContact O-N 2.84Å; H64-W67 VanDerWaalsContact O-N 3.08Å; W67-D69 VanDerWaalsContact C-N 3.34Å; W67-D69 PolarHBondContact O-N 3.4Å; W67-V70 PolarHBondContact O-N 2.94Å; W67-Q71 HydrophobicContact CD2-CG 4.18Å; W67-Q71 HydrophobicContact CG-CG 4.36Å; W67-Q71 HydrophobicContact CZ2-CB 4.46Å; W67-Q71 HydrophobicContact CZ2-CG 4Å; W67-Q71 WeakPolarHBondContact O-CB 3.31Å; W67-Q71 WeakPolarHBondContact O-CG 3.35Å; W67-Q71 PolarHBondContact O-N 2.97Å; W67-V73 HydrophobicContact CE3-CG2 4.21Å; W67-V73 HydrophobicContact CH2-CG2 3.92Å; W67-V73 HydrophobicContact CZ3-CG2 3.67Å; W67-I131 HydrophobicContact CH2-CD1 3.99Å; W67-I131 HydrophobicContact CH2-CG1 3.99Å; W67-I131 HydrophobicContact CH2-CG2 3.93Å; W67-I131 HydrophobicContact CZ2-CD1 3.62Å; W67-I131 HydrophobicContact CZ2-CG1 4.02Å; W67-I184 HydrophobicContact CH2-CG2 4.11Å; W67-I184 HydrophobicContact CZ2-CG2 3.49Å; W67-I184 VanDerWaalsContact CZ2-CG2 3.49Å; W67-N188 HydrophobicContact CD2-CB 4.46Å; W67-N188 VanDerWaalsContact CD2-OD1 3.29Å; W67-N188 HydrophobicContact CE3-CB 3.98Å; W67-N188 VanDerWaalsContact CE3-CG 3.46Å; W67-N188 HydrophobicContact CH2-CB 4.11Å; W67-N188 HydrophobicContact CZ3-CB 3.78Å; W67-Y189 HydrophobicContact CH2-CE2 4.1Å |
| 68 | R | 89.1 | Confident | 87.1 | Confident | 7 Ų | 7 | 54.2 Ų | 54.2 | 3% | 0.026 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 177.4 | -73.1 | -172.8 | 81.3 | 77 | -0.9 | 111.7 | H64 L65 K66 Q71 K72 V73 D74 E135 | H64-R68 VanDerWaalsContact NE2-CD 3.26Å; H64-R68 WeakPolarHBondContact NE2-CD 3.45Å; H64-R68 WeakPolarHBondContact NE2-CG 3.25Å; H64-R68 PolarHBondContact NE2-NH1 2.83Å; H64-R68 WeakPolarHBondContact O-CG 3.28Å; H64-R68 PolarHBondContact O-N 2.93Å; L65-R68 PolarHBondContact O-N 3.49Å; K66-R68 PolarHBondContact O-N 3.47Å; R68-Q71 PolarHBondContact O-N 3.15Å; R68-K72 WeakPolarHBondContact O-CA 3.47Å; R68-K72 PolarHBondContact O-N 3.42Å; R68-V73 HydrophobicContact CB-CB 4.24Å; R68-V73 HydrophobicContact CB-CG2 4.29Å; R68-V73 HydrophobicContact CG-CB 4.32Å; R68-V73 HydrophobicContact CG-CG2 4.39Å; R68-V73 PolarHBondContact O-N 2.83Å; R68-D74 IonicContact CZ-OD1 3.85Å; R68-D74 VanDerWaalsContact CZ-OD1 3.3Å; R68-D74 IonicContact NE-OD1 3.61Å; R68-D74 PolarHBondContact NE-OD1 2.95Å; R68-D74 IonicContact NH2-OD1 3.92Å; R68-D74 PolarHBondContact NH2-OD1 2.86Å; R68-E135 IonicContact CZ-OE1 2.65Å; R68-E135 IonicContact CZ-OE2 3.57Å; R68-E135 IonicContact NH1-OE1 3.54Å; R68-E135 PolarHBondContact NH1-OE1 2.89Å; R68-E135 IonicContact NH1-OE2 3.75Å; R68-E135 PolarHBondContact NH1-OE2 3.4Å; R68-E135 IonicContact NH2-OE1 2.65Å; R68-E135 IonicContact NH2-OE2 3.24Å; R68-E135 PolarHBondContact NH2-OE2 3.33Å |
| 69 | D | 79.5 | Confident | 86.4 | Confident | 96 Ų | 96 | 54.2 Ų | 54.2 | 51% | 0.513 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 178.8 | 177.6 | 41.1 | 0 | 0 | 0 | 111.1 | L65 K66 W67 Q71 K72 | L65-D69 PolarHBondContact O-N 2.86Å; K66-D69 PolarHBondContact O-N 2.79Å; W67-D69 VanDerWaalsContact C-N 3.34Å; W67-D69 PolarHBondContact O-N 3.4Å; D69-Q71 VanDerWaalsContact C-N 3.31Å; D69-Q71 PolarHBondContact O-N 3.03Å; D69-K72 VanDerWaalsContact O-CD 3.25Å; D69-K72 WeakPolarHBondContact O-CD 3.43Å; D69-K72 VanDerWaalsContact O-CE 3.3Å; D69-K72 WeakPolarHBondContact O-CE 3.32Å; D69-K72 PolarHBondContact O-N 3.27Å; D69-K72 VanDerWaalsContact O-N 3.11Å; D69-K72 IonicContact OD1-NZ 2.71Å; D69-K72 PolarHBondContact OD1-NZ 3.11Å |
| 70 | V | 77.7 | Confident | 85.9 | Confident | 80 Ų | 80 | 49 Ų | 49 | 49% | 0.485 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.3 | -40 | 177.8 | 173.4 | 0 | 0 | 0 | 0 | 112 | K66 W67 K72 | K66-V70 WeakPolarHBondContact O-CG2 3.42Å; K66-V70 PolarHBondContact O-N 2.79Å; K66-V70 VanDerWaalsContact O-N 3.15Å; W67-V70 PolarHBondContact O-N 2.94Å; V70-K72 VanDerWaalsContact C-N 3.33Å |
| 71 | Q | 78 | Confident | 85.5 | Confident | 46 Ų | 46 | 53.5 Ų | 53.5 | 22% | 0.215 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 0.5 | 180 | -66.2 | -59.9 | -61.2 | 0 | 0 | 113.7 | W67 R68 D69 V73 | W67-Q71 HydrophobicContact CD2-CG 4.18Å; W67-Q71 HydrophobicContact CG-CG 4.36Å; W67-Q71 HydrophobicContact CZ2-CB 4.46Å; W67-Q71 HydrophobicContact CZ2-CG 4Å; W67-Q71 WeakPolarHBondContact O-CB 3.31Å; W67-Q71 WeakPolarHBondContact O-CG 3.35Å; W67-Q71 PolarHBondContact O-N 2.97Å; R68-Q71 PolarHBondContact O-N 3.15Å; D69-Q71 VanDerWaalsContact C-N 3.31Å; D69-Q71 PolarHBondContact O-N 3.03Å; Q71-V73 HydrophobicContact CB-CG2 3.72Å; Q71-V73 PolarHBondContact O-N 3.48Å |
| 72 | K | 79.7 | Confident | 85.2 | Confident | 59 Ų | 59 | 55.8 Ų | 55.8 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 45.5 | -175.7 | -58 | -64.7 | 171.5 | -167.2 | 0 | 112.7 | R68 D69 V70 D74 A75 | R68-K72 WeakPolarHBondContact O-CA 3.47Å; R68-K72 PolarHBondContact O-N 3.42Å; D69-K72 VanDerWaalsContact O-CD 3.25Å; D69-K72 WeakPolarHBondContact O-CD 3.43Å; D69-K72 VanDerWaalsContact O-CE 3.3Å; D69-K72 WeakPolarHBondContact O-CE 3.32Å; D69-K72 PolarHBondContact O-N 3.27Å; D69-K72 VanDerWaalsContact O-N 3.11Å; D69-K72 IonicContact OD1-NZ 2.71Å; D69-K72 PolarHBondContact OD1-NZ 3.11Å; V70-K72 VanDerWaalsContact C-N 3.33Å; K72-D74 VanDerWaalsContact C-N 3.29Å; K72-D74 PolarHBondContact O-N 2.89Å; K72-A75 PolarHBondContact O-N 3.31Å |
| 73 | V | 85.5 | Confident | 85 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -62.5 | -37.2 | -172.1 | 179.7 | 0 | 0 | 0 | 0 | 112 | W67 R68 Q71 A75 L76 I131 E135 | W67-V73 HydrophobicContact CE3-CG2 4.21Å; W67-V73 HydrophobicContact CH2-CG2 3.92Å; W67-V73 HydrophobicContact CZ3-CG2 3.67Å; R68-V73 HydrophobicContact CB-CB 4.24Å; R68-V73 HydrophobicContact CB-CG2 4.29Å; R68-V73 HydrophobicContact CG-CB 4.32Å; R68-V73 HydrophobicContact CG-CG2 4.39Å; R68-V73 PolarHBondContact O-N 2.83Å; Q71-V73 HydrophobicContact CB-CG2 3.72Å; Q71-V73 PolarHBondContact O-N 3.48Å; V73-A75 PolarHBondContact O-N 3.08Å; V73-L76 HydrophobicContact CB-CD1 4.43Å; V73-L76 HydrophobicContact CG1-CD1 4.25Å; V73-L76 WeakPolarHBondContact O-CB 3.35Å; V73-L76 WeakPolarHBondContact O-CG 3.21Å; V73-L76 PolarHBondContact O-N 2.9Å; V73-I131 HydrophobicContact CG1-CG2 4.07Å; V73-I131 HydrophobicContact CG2-CG2 4.06Å; V73-E135 HydrophobicContact CG1-CG 3.55Å; V73-E135 WeakPolarHBondContact CG1-OE1 3.39Å |
| 74 | D | 86.3 | Confident | 85.1 | Confident | 99 Ų | 99 | 49.2 Ų | 49.2 | 53% | 0.529 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -64.3 | -24.5 | -175.2 | -63.3 | -31.9 | 0 | 0 | 0 | 113.1 | R68 K72 | R68-D74 IonicContact CZ-OD1 3.85Å; R68-D74 VanDerWaalsContact CZ-OD1 3.3Å; R68-D74 IonicContact NE-OD1 3.61Å; R68-D74 PolarHBondContact NE-OD1 2.95Å; R68-D74 IonicContact NH2-OD1 3.92Å; R68-D74 PolarHBondContact NH2-OD1 2.86Å; K72-D74 VanDerWaalsContact C-N 3.29Å; K72-D74 PolarHBondContact O-N 2.89Å |
| 75 | A | 84.2 | Confident | 85 | Confident | 39 Ų | 39 | 49.6 Ų | 49.6 | 32% | 0.322 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -83.4 | -18.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | K72 V73 L77 D78 C79 | K72-A75 PolarHBondContact O-N 3.31Å; V73-A75 PolarHBondContact O-N 3.08Å; A75-L77 PolarHBondContact O-N 3.1Å; A75-D78 PolarHBondContact O-N 3.17Å; A75-D78 VanDerWaalsContact O-N 3.13Å; A75-C79 PolarHBondContact O-N 3.32Å; A75-C79 PolarHBondContact O-SG 3.47Å |
| 76 | L | 86 | Confident | 85.2 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.2 | -41.9 | -165.6 | -70.5 | 175.3 | 0 | 0 | 0 | 113.3 | V73 D78 C79 Y80 Q128 I131 Y132 | V73-L76 HydrophobicContact CB-CD1 4.43Å; V73-L76 HydrophobicContact CG1-CD1 4.25Å; V73-L76 WeakPolarHBondContact O-CB 3.35Å; V73-L76 WeakPolarHBondContact O-CG 3.21Å; V73-L76 PolarHBondContact O-N 2.9Å; L76-D78 PolarHBondContact O-N 2.9Å; L76-C79 PolarHBondContact O-N 2.96Å; L76-Y80 HydrophobicContact CD2-CD2 4.46Å; L76-Y80 HydrophobicContact CD2-CG 4.26Å; L76-Y80 VanDerWaalsContact O-CB 3.22Å; L76-Y80 WeakPolarHBondContact O-CB 3.39Å; L76-Y80 PolarHBondContact O-N 2.89Å; L76-Q128 HydrophobicContact CD2-CG 3.9Å; L76-I131 HydrophobicContact CD1-CB 4.13Å; L76-I131 HydrophobicContact CD1-CG2 3.33Å; L76-Y132 HydrophobicContact CB-CD2 4.31Å; L76-Y132 WeakPolarHBondContact O-CD2 3.46Å; L76-Y132 WeakPolarHBondContact O-CE2 3.25Å |
| 77 | L | 86.5 | Confident | 85.4 | Confident | 27 Ų | 27 | 50 Ų | 50 | 14% | 0.141 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.2 | -25.2 | -177.3 | -70.8 | -174.7 | 0 | 0 | 0 | 113.5 | A75 Y132 E135 Q139 | A75-L77 PolarHBondContact O-N 3.1Å; L77-Y132 HydrophobicContact CD2-CD2 3.97Å; L77-Y132 HydrophobicContact CD2-CE2 3.76Å; L77-Y132 HydrophobicContact CD2-CG 4.49Å; L77-E135 HydrophobicContact CD1-CB 4.13Å; L77-E135 HydrophobicContact CD2-CB 3.99Å; L77-E135 HydrophobicContact CG-CB 3.97Å; L77-Q139 HydrophobicContact CD1-CB 3.97Å; L77-Q139 HydrophobicContact CD1-CG 4.23Å |
| 78 | D | 85 | Confident | 85.5 | Confident | 140 Ų | 140 | 54.2 Ų | 54.2 | 75% | 0.749 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -92.2 | -27.1 | -177.4 | -62.3 | -34.7 | 0 | 0 | 0 | 112.4 | A75 L76 | A75-D78 PolarHBondContact O-N 3.17Å; A75-D78 VanDerWaalsContact O-N 3.13Å; L76-D78 PolarHBondContact O-N 2.9Å |
| 79 | C | 82.1 | Confident | 85.8 | Confident | 45 Ų | 45 | 55 Ų | 55 | 30% | 0.304 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -129.5 | -15.1 | -166.1 | 77.2 | 0 | 0 | 0 | 0 | 115.6 | A75 L76 M324 | A75-C79 PolarHBondContact O-N 3.32Å; A75-C79 PolarHBondContact O-SG 3.47Å; L76-C79 PolarHBondContact O-N 2.96Å; C79-M324 HydrophobicContact CB-CE 3.64Å; C79-M324 HydrophobicContact CB-CG 4.4Å; C79-M324 WeakPolarHBondContact SG-CE 3.48Å; C79-M324 VanDerWaalsContact SG-CG 3.54Å |
| 80 | Y | 83.8 | Confident | 86.5 | Confident | 10 Ų | 10 | 52.2 Ų | 52.2 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -91.3 | 121.3 | -178.6 | -179.4 | -96.3 | 0 | 0 | 0 | 111.8 | L76 I82 P83 E125 Q128 S129 Y132 V396 | L76-Y80 HydrophobicContact CD2-CD2 4.46Å; L76-Y80 HydrophobicContact CD2-CG 4.26Å; L76-Y80 VanDerWaalsContact O-CB 3.22Å; L76-Y80 WeakPolarHBondContact O-CB 3.39Å; L76-Y80 PolarHBondContact O-N 2.89Å; Y80-I82 HydrophobicContact CD1-CG1 4.35Å; Y80-I82 HydrophobicContact CE1-CB 4.43Å; Y80-I82 HydrophobicContact CE1-CG1 3.9Å; Y80-P83 WeakPolarHBondContact OH-CD 3.43Å; Y80-E125 PolarHBondContact OH-O 3.01Å; Y80-Q128 VanDerWaalsContact CD2-CD 3.48Å; Y80-Q128 HydrophobicContact CD2-CG 3.82Å; Y80-Q128 HydrophobicContact CE2-CB 4.01Å; Y80-Q128 HydrophobicContact CE2-CG 3.57Å; Y80-Q128 HydrophobicContact CG-CG 4.44Å; Y80-S129 PolarHBondContact OH-N 3.2Å; Y80-Y132 AromaticContact CD1-CD2 3.71Å; Y80-Y132 HydrophobicContact CD1-CD2 3.71Å; Y80-Y132 HydrophobicContact CD1-CE2 4.5Å; Y80-Y132 AromaticContact CD1-CG 3.76Å; Y80-Y132 HydrophobicContact CD1-CG 3.76Å; Y80-Y132 HydrophobicContact CE1-CG 4.41Å; Y80-Y132 HydrophobicContact CG-CD2 4.34Å; Y80-Y132 WeakPolarHBondContact O-CE2 3.45Å; Y80-V396 HydrophobicContact CD2-CG2 4.34Å |
| 81 | E | 85.2 | Confident | 87.4 | Confident | 111 Ų | 111 | 48.7 Ų | 48.7 | 52% | 0.519 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -100 | 122.3 | 170.5 | -65.7 | -173.7 | 172.8 | 0 | 0 | 110.9 | P83 K349 V358 | E81-P83 WeakPolarHBondContact O-CD 3.48Å; E81-K349 PolarHBondContact O-NZ 2.83Å; E81-V358 WeakPolarHBondContact OE1-CG1 3.44Å |
| 82 | I | 87.5 | Confident | 88.2 | Confident | 48 Ų | 48 | 47 Ų | 47 | 25% | 0.246 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 123.8 | 176.1 | -58.4 | 169.9 | 0 | 0 | 0 | 108.8 | Y80 G84 I86 Q87 Y132 | Y80-I82 HydrophobicContact CD1-CG1 4.35Å; Y80-I82 HydrophobicContact CE1-CB 4.43Å; Y80-I82 HydrophobicContact CE1-CG1 3.9Å; I82-G84 PolarHBondContact O-N 3.23Å; I82-I86 HydrophobicContact CG2-CB 3.93Å; I82-I86 HydrophobicContact CG2-CG2 3.85Å; I82-Q87 HydrophobicContact CG2-CB 4.32Å; I82-Y132 HydrophobicContact CD1-CD1 3.73Å; I82-Y132 HydrophobicContact CD1-CE1 3.79Å; I82-Y132 HydrophobicContact CG1-CD1 3.94Å; I82-Y132 HydrophobicContact CG1-CE1 4.18Å |
| 83 | P | 87.1 | Confident | 88.9 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -49.9 | 135.6 | 173.2 | -29.2 | 35.1 | 0 | 0 | 0 | 112.6 | Y80 E81 V85 I86 Q87 E125 | Y80-P83 WeakPolarHBondContact OH-CD 3.43Å; E81-P83 WeakPolarHBondContact O-CD 3.48Å; P83-V85 HydrophobicContact CB-CG1 4.12Å; P83-V85 PolarHBondContact O-N 3.26Å; P83-V85 VanDerWaalsContact O-N 3.15Å; P83-I86 HydrophobicContact CB-CB 4.47Å; P83-I86 HydrophobicContact CB-CD1 4.16Å; P83-I86 HydrophobicContact CB-CG1 4.17Å; P83-I86 HydrophobicContact CG-CD1 3.92Å; P83-I86 HydrophobicContact CG-CG1 4.47Å; P83-I86 WeakPolarHBondContact O-CA 3.41Å; P83-I86 WeakPolarHBondContact O-CB 3.31Å; P83-I86 PolarHBondContact O-N 2.95Å; P83-Q87 PolarHBondContact O-N 3.17Å; P83-Q87 VanDerWaalsContact O-N 3.11Å; P83-E125 HydrophobicContact CG-CB 4.17Å; P83-E125 HydrophobicContact CG-CG 4.07Å |
| 84 | G | 89.9 | Confident | 89.4 | Confident | 38 Ų | 38 | 46.9 Ų | 46.9 | 39% | 0.392 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.6 | -31.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I82 Q87 K88 | I82-G84 PolarHBondContact O-N 3.23Å; G84-Q87 PolarHBondContact O-N 3.31Å; G84-K88 VanDerWaalsContact O-CB 3.31Å; G84-K88 WeakPolarHBondContact O-CB 3.47Å; G84-K88 PolarHBondContact O-N 3.1Å |
| 85 | V | 89.6 | Confident | 89.9 | Confident | 11 Ų | 11 | 42.2 Ų | 42.2 | 7% | 0.067 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.3 | -38.1 | 173.2 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | P83 Y89 A120 T121 V271 L275 | P83-V85 HydrophobicContact CB-CG1 4.12Å; P83-V85 PolarHBondContact O-N 3.26Å; P83-V85 VanDerWaalsContact O-N 3.15Å; V85-Y89 HydrophobicContact CG2-CD2 3.84Å; V85-Y89 WeakPolarHBondContact O-CB 3.46Å; V85-Y89 WeakPolarHBondContact O-CD2 3.46Å; V85-Y89 PolarHBondContact O-N 2.96Å; V85-A120 HydrophobicContact CG2-CB 3.69Å; V85-T121 HydrophobicContact CB-CG2 4.49Å; V85-T121 HydrophobicContact CG1-CG2 3.51Å; V85-T121 HydrophobicContact CG2-CG2 4.24Å; V85-V271 HydrophobicContact CG2-CG1 4.27Å; V85-L275 HydrophobicContact CG2-CD1 4.42Å |
| 86 | I | 91.4 | Very high | 90.5 | Very high | 7 Ų | 7 | 41.4 Ų | 41.4 | 4% | 0.036 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.7 | -49.3 | 177.2 | -66.8 | 178.3 | 0 | 0 | 0 | 109.3 | I82 P83 K88 Y89 F90 F117 T121 E125 F126 | I82-I86 HydrophobicContact CG2-CB 3.93Å; I82-I86 HydrophobicContact CG2-CG2 3.85Å; P83-I86 HydrophobicContact CB-CB 4.47Å; P83-I86 HydrophobicContact CB-CD1 4.16Å; P83-I86 HydrophobicContact CB-CG1 4.17Å; P83-I86 HydrophobicContact CG-CD1 3.92Å; P83-I86 HydrophobicContact CG-CG1 4.47Å; P83-I86 WeakPolarHBondContact O-CA 3.41Å; P83-I86 WeakPolarHBondContact O-CB 3.31Å; P83-I86 PolarHBondContact O-N 2.95Å; I86-K88 VanDerWaalsContact C-N 3.26Å; I86-K88 PolarHBondContact O-N 3.45Å; I86-Y89 PolarHBondContact O-N 3.17Å; I86-F90 HydrophobicContact CG2-CB 4.27Å; I86-F90 WeakPolarHBondContact O-CB 3.38Å; I86-F90 PolarHBondContact O-N 2.77Å; I86-F117 HydrophobicContact CB-CZ 4.48Å; I86-F117 HydrophobicContact CG1-CE2 4.25Å; I86-F117 HydrophobicContact CG1-CZ 3.91Å; I86-F117 HydrophobicContact CG2-CZ 4.42Å; I86-T121 HydrophobicContact CD1-CG2 4.25Å; I86-T121 HydrophobicContact CG1-CG2 3.6Å; I86-E125 HydrophobicContact CD1-CB 3.85Å; I86-F126 HydrophobicContact CD1-CB 4.47Å |
| 87 | Q | 90.7 | Very high | 91.1 | Very high | 139 Ų | 139 | 41.9 Ų | 41.9 | 65% | 0.65 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -59 | -37.9 | -178.6 | -167.6 | 174.5 | 45 | 0 | 0 | 112.4 | I82 P83 G84 | I82-Q87 HydrophobicContact CG2-CB 4.32Å; P83-Q87 PolarHBondContact O-N 3.17Å; P83-Q87 VanDerWaalsContact O-N 3.11Å; G84-Q87 PolarHBondContact O-N 3.31Å |
| 88 | K | 91.5 | Very high | 91.6 | Very high | 134 Ų | 134 | 40.9 Ų | 40.9 | 58% | 0.583 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -85.1 | -36.6 | -177.2 | -174.7 | 169.7 | -179.5 | 176.3 | 0 | 114.3 | G84 I86 S266 | G84-K88 VanDerWaalsContact O-CB 3.31Å; G84-K88 WeakPolarHBondContact O-CB 3.47Å; G84-K88 PolarHBondContact O-N 3.1Å; I86-K88 VanDerWaalsContact C-N 3.26Å; I86-K88 PolarHBondContact O-N 3.45Å; K88-S266 PolarHBondContact O-OG 2.99Å |
| 89 | Y | 94.7 | Very high | 92.2 | Very high | 24 Ų | 24 | 39 Ų | 39 | 9% | 0.094 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -111.4 | -4.3 | -169.5 | -63.2 | -81.1 | 0 | 0 | 0 | 114.5 | V85 I86 A268 P270 V271 P272 L275 | V85-Y89 HydrophobicContact CG2-CD2 3.84Å; V85-Y89 WeakPolarHBondContact O-CB 3.46Å; V85-Y89 WeakPolarHBondContact O-CD2 3.46Å; V85-Y89 PolarHBondContact O-N 2.96Å; I86-Y89 PolarHBondContact O-N 3.17Å; Y89-A268 VanDerWaalsContact O-CB 3.26Å; Y89-A268 WeakPolarHBondContact O-CB 3.36Å; Y89-P270 WeakPolarHBondContact CE1-O 3.45Å; Y89-V271 HydrophobicContact CD1-CB 4.49Å; Y89-V271 HydrophobicContact CD1-CG2 3.93Å; Y89-V271 HydrophobicContact CD2-CG1 4.5Å; Y89-V271 HydrophobicContact CG-CG2 3.83Å; Y89-P272 WeakPolarHBondContact OH-CD 3.39Å; Y89-P272 WeakPolarHBondContact OH-CG 3.41Å; Y89-L275 HydrophobicContact CD2-CD1 4.33Å; Y89-L275 HydrophobicContact CE2-CD1 3.5Å |
| 90 | F | 95 | Very high | 92.8 | Very high | 37 Ų | 37 | 41.7 Ų | 41.7 | 16% | 0.162 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -90.6 | 128.7 | 165.8 | -164.6 | -97.5 | 0 | 0 | 0 | 110.1 | I86 F112 F117 F126 W174 S266 | I86-F90 HydrophobicContact CG2-CB 4.27Å; I86-F90 WeakPolarHBondContact O-CB 3.38Å; I86-F90 PolarHBondContact O-N 2.77Å; F90-F112 HydrophobicContact CD2-CD2 4.5Å; F90-F112 AromaticContact CD2-CE2 3.9Å; F90-F112 HydrophobicContact CD2-CE2 3.9Å; F90-F112 HydrophobicContact CD2-CZ 4.12Å; F90-F112 HydrophobicContact CE2-CE2 4.41Å; F90-F112 HydrophobicContact CE2-CZ 4.28Å; F90-F117 HydrophobicContact CB-CE2 3.94Å; F90-F117 HydrophobicContact CB-CZ 4.25Å; F90-F117 HydrophobicContact CD2-CE2 4.28Å; F90-F117 HydrophobicContact CD2-CZ 4.04Å; F90-F126 HydrophobicContact CD1-CE2 4.44Å; F90-F126 HydrophobicContact CD2-CD2 4.37Å; F90-F126 AromaticContact CD2-CE2 3.46Å; F90-F126 HydrophobicContact CD2-CE2 3.46Å; F90-F126 VanDerWaalsContact CD2-CE2 3.46Å; F90-F126 HydrophobicContact CD2-CZ 4.07Å; F90-F126 HydrophobicContact CE1-CE2 4.4Å; F90-F126 AromaticContact CE2-CE2 3.39Å; F90-F126 HydrophobicContact CE2-CE2 3.39Å; F90-F126 AromaticContact CE2-CZ 3.49Å; F90-F126 HydrophobicContact CE2-CZ 3.49Å; F90-F126 VanDerWaalsContact CE2-CZ 3.49Å; F90-F126 HydrophobicContact CG-CE2 4.01Å; F90-F126 AromaticContact CZ-CE2 3.88Å; F90-F126 HydrophobicContact CZ-CE2 3.88Å; F90-F126 AromaticContact CZ-CZ 3.79Å; F90-F126 HydrophobicContact CZ-CZ 3.79Å; F90-W174 AromaticContact CE2-CH2 3.83Å; F90-W174 HydrophobicContact CE2-CH2 3.83Å; F90-W174 HydrophobicContact CE2-CZ2 4.21Å; F90-S266 WeakPolarHBondContact O-CB 3.41Å; F90-S266 PolarHBondContact O-OG 3.31Å |
| 91 | P | 94.9 | Very high | 93.4 | Very high | 6 Ų | 6 | 41.3 Ų | 41.3 | 4% | 0.039 | 21% | 0.212 | C | C | . | . | trans | -77.3 | 141.7 | -174.1 | 31.3 | -36.1 | 0 | 0 | 0 | 111.7 | P108 F112 S266 A268 | P91-P108 HydrophobicContact CB-CG 4.08Å; P91-F112 HydrophobicContact CG-CB 4.14Å; P91-F112 HydrophobicContact CG-CG 4.47Å; P91-S266 VanDerWaalsContact CA-O 3.32Å; P91-S266 WeakPolarHBondContact CA-O 3.29Å; P91-A268 HydrophobicContact CB-CB 3.98Å; P91-A268 HydrophobicContact CG-CB 4.47Å | ||
| 92 | G | 95 | Very high | 93.9 | Very high | 9 Ų | 9 | 36.4 Ų | 36.4 | 9% | 0.093 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | 148.2 | 158.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y105 C106 S266 | G92-Y105 WeakPolarHBondContact CA-OH 3.2Å; G92-C106 CarbonylContact C-O 3.55Å; G92-C106 VanDerWaalsContact CA-O 3.25Å; G92-C106 WeakPolarHBondContact CA-O 3.26Å; G92-S266 PolarHBondContact N-O 3.47Å; G92-S266 WeakPolarHBondContact O-CB 3.39Å; G92-S266 PolarHBondContact O-N 3.44Å |
| 93 | G | 94.8 | Very high | 94.4 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 9% | 0.093 | 18% | 0.179 | C | C | . | . | trans | 170 | 155.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y105 C106 R264 | G93-Y105 VanDerWaalsContact N-CE2 3.34Å; G93-C106 PolarHBondContact N-O 3.47Å; G93-C106 VanDerWaalsContact N-O 3.08Å; G93-C106 PolarHBondContact O-N 3.24Å; G93-R264 VanDerWaalsContact CA-O 3.28Å; G93-R264 WeakPolarHBondContact CA-O 3.37Å | ||
| 94 | F | 96.5 | Very high | 95 | Very high | 49 Ų | 49 | 34.2 Ų | 34.2 | 22% | 0.215 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 125.8 | 175.6 | -75.9 | -72.5 | 0 | 0 | 0 | 110.6 | P103 L104 Y105 F133 I137 V141 L156 | F94-P103 HydrophobicContact CD1-CB 3.93Å; F94-P103 HydrophobicContact CE1-CB 3.95Å; F94-P103 HydrophobicContact CE1-CG 4.28Å; F94-L104 CarbonylContact C-O 3.32Å; F94-L104 WeakPolarHBondContact CA-O 3.16Å; F94-Y105 AromaticContact CD1-CD2 3.9Å; F94-Y105 HydrophobicContact CD1-CD2 3.9Å; F94-Y105 AromaticContact CD2-CD2 3.87Å; F94-Y105 HydrophobicContact CD2-CD2 3.87Å; F94-Y105 HydrophobicContact CD2-CE2 4.27Å; F94-Y105 AromaticContact CE1-CD2 3.79Å; F94-Y105 HydrophobicContact CE1-CD2 3.79Å; F94-Y105 HydrophobicContact CE1-CG 4.27Å; F94-Y105 AromaticContact CE2-CD2 3.75Å; F94-Y105 HydrophobicContact CE2-CD2 3.75Å; F94-Y105 HydrophobicContact CE2-CE2 4.15Å; F94-Y105 AromaticContact CG-CD2 3.93Å; F94-Y105 HydrophobicContact CG-CD2 3.93Å; F94-Y105 AromaticContact CZ-CD2 3.7Å; F94-Y105 HydrophobicContact CZ-CD2 3.7Å; F94-Y105 HydrophobicContact CZ-CE2 4.47Å; F94-Y105 HydrophobicContact CZ-CG 4.42Å; F94-F133 HydrophobicContact CE2-CE2 4.12Å; F94-F133 AromaticContact CE2-CZ 3.74Å; F94-F133 HydrophobicContact CE2-CZ 3.74Å; F94-F133 HydrophobicContact CZ-CZ 4.31Å; F94-I137 HydrophobicContact CE2-CD1 4.25Å; F94-I137 HydrophobicContact CE2-CG1 3.85Å; F94-I137 HydrophobicContact CZ-CD1 3.87Å; F94-I137 HydrophobicContact CZ-CG1 3.69Å; F94-V141 HydrophobicContact CD2-CG2 4.45Å; F94-V141 HydrophobicContact CE1-CG1 4.27Å; F94-V141 HydrophobicContact CE2-CG1 4.37Å; F94-V141 HydrophobicContact CE2-CG2 4.07Å; F94-V141 HydrophobicContact CZ-CG1 4.21Å; F94-L156 HydrophobicContact CZ-CD2 4.44Å |
| 95 | C | 96.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 94 | 175.5 | -165.9 | 0 | 0 | 0 | 0 | 111 | L104 P245 R264 I265 | C95-L104 PolarHBondContact N-O 3.37Å; C95-L104 WeakPolarHBondContact O-CD2 3.15Å; C95-P245 HydrophobicContact CB-CG 4Å; C95-R264 HydrophobicContact CB-CB 4.29Å; C95-I265 HydrophobicContact CB-CD1 3.86Å; C95-I265 HydrophobicContact CB-CG1 3.96Å |
| 96 | G | 97.4 | Very high | 95.7 | Very high | 22 Ų | 22 | 33 Ų | 33 | 23% | 0.227 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 94.3 | -162.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L104 K243 | G96-L104 PolarHBondContact O-N 3.44Å; G96-K243 VanDerWaalsContact CA-O 3.31Å; G96-K243 WeakPolarHBondContact CA-O 3.16Å |
| 97 | E | 97.6 | Very high | 96 | Very high | 12 Ų | 12 | 33.1 Ų | 33.1 | 6% | 0.056 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 158.9 | -177.6 | 68.3 | -162.8 | 165.5 | 0 | 0 | 109.3 | C102 K145 H149 I239 K243 | E97-C102 CarbonylContact C-O 3.56Å; E97-C102 WeakPolarHBondContact CA-O 2.98Å; E97-C102 VanDerWaalsContact CB-O 3.32Å; E97-C102 WeakPolarHBondContact CB-O 3.42Å; E97-K145 IonicContact OE2-NZ 2.74Å; E97-K145 PolarHBondContact OE2-NZ 3.17Å; E97-H149 IonicContact OE1-CE1 2.64Å; E97-H149 IonicContact OE1-NE2 3.42Å; E97-H149 IonicContact OE2-CE1 3.38Å; E97-H149 IonicContact OE2-NE2 2.79Å; E97-H149 PolarHBondContact OE2-NE2 2.63Å; E97-I239 WeakPolarHBondContact O-CG2 3.42Å; E97-K243 HydrophobicContact CG-CD 4.12Å; E97-K243 HydrophobicContact CG-CG 4.31Å; E97-K243 WeakPolarHBondContact O-CB 3.36Å; E97-K243 WeakPolarHBondContact OE1-CE 3.48Å; E97-K243 IonicContact OE1-NZ 2.7Å; E97-K243 PolarHBondContact OE1-NZ 3Å |
| 98 | D | 97.7 | Very high | 96.2 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 3% | 0.032 | 13% | 0.132 | C | C | . | . | trans | -82.7 | 178.1 | 171.9 | 61.5 | 38.2 | 0 | 0 | 0 | 112.9 | E100 G101 C102 T157 R194 V238 I239 | D98-E100 PolarHBondContact O-N 3.33Å; D98-E100 WeakPolarHBondContact OD1-CA 3.37Å; D98-E100 WeakPolarHBondContact OD1-CB 3.48Å; D98-E100 PolarHBondContact OD1-N 3.23Å; D98-G101 PolarHBondContact O-N 3.11Å; D98-G101 PolarHBondContact OD1-N 3.3Å; D98-G101 VanDerWaalsContact OD1-N 3.14Å; D98-C102 PolarHBondContact N-O 2.99Å; D98-C102 PolarHBondContact OD1-N 2.83Å; D98-C102 WeakPolarHBondContact OD2-CB 3.24Å; D98-T157 WeakPolarHBondContact OD2-CB 3.34Å; D98-T157 PolarHBondContact OD2-OG1 3.2Å; D98-R194 IonicContact OD2-CZ 3.06Å; D98-R194 VanDerWaalsContact OD2-CZ 3.26Å; D98-R194 IonicContact OD2-NH1 2.89Å; D98-R194 PolarHBondContact OD2-NH1 3.16Å; D98-R194 IonicContact OD2-NH2 2.7Å; D98-V238 WeakPolarHBondContact CB-O 3.47Å; D98-I239 HydrophobicContact CB-CG1 3.87Å | ||
| 99 | K | 97.3 | Very high | 96.4 | Very high | 100 Ų | 100 | 21.9 Ų | 21.9 | 44% | 0.435 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -17.6 | 178.3 | -71.6 | 178.2 | -178.7 | 176.4 | 0 | 113.7 | G101 Q237 V238 D240 | K99-G101 VanDerWaalsContact C-N 3.28Å; K99-Q237 WeakPolarHBondContact CE-O 3.34Å; K99-Q237 PolarHBondContact NZ-O 3.02Å; K99-V238 WeakPolarHBondContact CB-O 3.42Å; K99-V238 WeakPolarHBondContact CG-O 3.47Å; K99-V238 PolarHBondContact N-O 2.93Å; K99-D240 WeakPolarHBondContact CE-OD1 3.3Å |
| 100 | E | 94.7 | Very high | 96.3 | Very high | 101 Ų | 101 | 20.7 Ų | 20.7 | 47% | 0.472 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 21.4 | 171.9 | -54.5 | -56.4 | 139.7 | 0 | 0 | 111.1 | D98 C102 R151 I153 R194 | D98-E100 PolarHBondContact O-N 3.33Å; D98-E100 WeakPolarHBondContact OD1-CA 3.37Å; D98-E100 WeakPolarHBondContact OD1-CB 3.48Å; D98-E100 PolarHBondContact OD1-N 3.23Å; E100-C102 PolarHBondContact O-N 3.33Å; E100-C102 PolarHBondContact O-SG 2.99Å; E100-R151 PolarHBondContact O-NH2 3.49Å; E100-I153 WeakPolarHBondContact O-CD1 3.17Å; E100-R194 VanDerWaalsContact CG-NH2 3.26Å |
| 101 | G | 96.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 22.6 Ų | 22.6 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | trans | 63.4 | 5.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115 | D98 K99 H149 | D98-G101 PolarHBondContact O-N 3.11Å; D98-G101 PolarHBondContact OD1-N 3.3Å; D98-G101 VanDerWaalsContact OD1-N 3.14Å; K99-G101 VanDerWaalsContact C-N 3.28Å; G101-H149 WeakPolarHBondContact CA-NE2 3.09Å | ||
| 102 | C | 96.7 | Very high | 96.3 | Very high | 9 Ų | 9 | 22.7 Ų | 22.7 | 6% | 0.061 | 12% | 0.116 | C | C | . | . | trans | -78.4 | 132.7 | -178.6 | -61.9 | 0 | 0 | 0 | 0 | 109 | E97 D98 E100 L104 Q155 | E97-C102 CarbonylContact C-O 3.56Å; E97-C102 WeakPolarHBondContact CA-O 2.98Å; E97-C102 VanDerWaalsContact CB-O 3.32Å; E97-C102 WeakPolarHBondContact CB-O 3.42Å; D98-C102 PolarHBondContact N-O 2.99Å; D98-C102 PolarHBondContact OD1-N 2.83Å; D98-C102 WeakPolarHBondContact OD2-CB 3.24Å; E100-C102 PolarHBondContact O-N 3.33Å; E100-C102 PolarHBondContact O-SG 2.99Å; C102-L104 PolarHBondContact O-N 3.49Å; C102-Q155 WeakPolarHBondContact CB-O 3.34Å | ||
| 103 | P | 97.9 | Very high | 96.3 | Very high | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.019 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 138.7 | -176.5 | 26.3 | -35 | 0 | 0 | 0 | 111.3 | F94 V141 L142 K145 L156 T157 | F94-P103 HydrophobicContact CD1-CB 3.93Å; F94-P103 HydrophobicContact CE1-CB 3.95Å; F94-P103 HydrophobicContact CE1-CG 4.28Å; P103-V141 HydrophobicContact CB-CG1 3.94Å; P103-V141 HydrophobicContact CG-CG1 3.92Å; P103-L142 HydrophobicContact CG-CD2 3.78Å; P103-K145 HydrophobicContact CB-CG 4.3Å; P103-K145 HydrophobicContact CG-CG 4.33Å; P103-L156 HydrophobicContact CG-CB 4.12Å; P103-T157 PolarHBondContact O-N 3.49Å |
| 104 | L | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 113.1 | -178.3 | -174.2 | 63.6 | 0 | 0 | 0 | 110.6 | F94 C95 G96 C102 T157 I159 I239 L244 | F94-L104 CarbonylContact C-O 3.32Å; F94-L104 WeakPolarHBondContact CA-O 3.16Å; C95-L104 PolarHBondContact N-O 3.37Å; C95-L104 WeakPolarHBondContact O-CD2 3.15Å; G96-L104 PolarHBondContact O-N 3.44Å; C102-L104 PolarHBondContact O-N 3.49Å; L104-T157 WeakPolarHBondContact CA-O 3.37Å; L104-T157 HydrophobicContact CD1-CG2 3.61Å; L104-I159 HydrophobicContact CD1-CD1 3.78Å; L104-I159 HydrophobicContact CD1-CG1 3.89Å; L104-I159 HydrophobicContact CD2-CD1 4.02Å; L104-I159 HydrophobicContact CG-CD1 4.29Å; L104-I239 HydrophobicContact CD1-CD1 3.94Å; L104-I239 HydrophobicContact CD2-CD1 4.05Å; L104-L244 HydrophobicContact CD2-CD1 3.75Å |
| 105 | Y | 98 | Very high | 95.6 | Very high | 24 Ų | 24 | 21.9 Ų | 21.9 | 9% | 0.094 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 122 | 172 | -165 | -99.7 | 0 | 0 | 0 | 110.5 | G92 G93 F94 A107 F133 T157 L158 I159 | G92-Y105 WeakPolarHBondContact CA-OH 3.2Å; G93-Y105 VanDerWaalsContact N-CE2 3.34Å; F94-Y105 AromaticContact CD1-CD2 3.9Å; F94-Y105 HydrophobicContact CD1-CD2 3.9Å; F94-Y105 AromaticContact CD2-CD2 3.87Å; F94-Y105 HydrophobicContact CD2-CD2 3.87Å; F94-Y105 HydrophobicContact CD2-CE2 4.27Å; F94-Y105 AromaticContact CE1-CD2 3.79Å; F94-Y105 HydrophobicContact CE1-CD2 3.79Å; F94-Y105 HydrophobicContact CE1-CG 4.27Å; F94-Y105 AromaticContact CE2-CD2 3.75Å; F94-Y105 HydrophobicContact CE2-CD2 3.75Å; F94-Y105 HydrophobicContact CE2-CE2 4.15Å; F94-Y105 AromaticContact CG-CD2 3.93Å; F94-Y105 HydrophobicContact CG-CD2 3.93Å; F94-Y105 AromaticContact CZ-CD2 3.7Å; F94-Y105 HydrophobicContact CZ-CD2 3.7Å; F94-Y105 HydrophobicContact CZ-CE2 4.47Å; F94-Y105 HydrophobicContact CZ-CG 4.42Å; Y105-A107 HydrophobicContact CD1-CB 4.39Å; Y105-A107 HydrophobicContact CE1-CB 4.16Å; Y105-F133 AromaticContact CD2-CZ 3.96Å; Y105-F133 HydrophobicContact CD2-CZ 3.96Å; Y105-F133 AromaticContact CE2-CE1 3.83Å; Y105-F133 HydrophobicContact CE2-CE1 3.83Å; Y105-F133 HydrophobicContact CE2-CE2 4.17Å; Y105-F133 AromaticContact CE2-CZ 3.23Å; Y105-F133 HydrophobicContact CE2-CZ 3.23Å; Y105-F133 AromaticContact CZ-CE1 3.81Å; Y105-F133 AromaticContact CZ-CZ 3.65Å; Y105-T157 PolarHBondContact N-O 3.29Å; Y105-L158 HydrophobicContact CD1-CD1 3.65Å; Y105-L158 HydrophobicContact CG-CD1 4.44Å; Y105-L158 CarbonylContact O-C 3.47Å; Y105-L158 WeakPolarHBondContact O-CA 3.35Å; Y105-I159 PolarHBondContact O-N 3.02Å |
| 106 | C | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121 | 179.4 | -62.1 | 0 | 0 | 0 | 0 | 110.3 | G92 G93 Y248 I265 | G92-C106 CarbonylContact C-O 3.55Å; G92-C106 VanDerWaalsContact CA-O 3.25Å; G92-C106 WeakPolarHBondContact CA-O 3.26Å; G93-C106 PolarHBondContact N-O 3.47Å; G93-C106 VanDerWaalsContact N-O 3.08Å; G93-C106 PolarHBondContact O-N 3.24Å; C106-Y248 HydrophobicContact CB-CE2 3.92Å; C106-I265 HydrophobicContact CB-CD1 3.76Å; C106-I265 HydrophobicContact CB-CG1 4.25Å; C106-I265 HydrophobicContact CB-CG2 4.48Å |
| 107 | A | 96.7 | Very high | 95.1 | Very high | 8 Ų | 8 | 21 Ų | 21 | 7% | 0.066 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 102.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y105 V109 L158 I159 L160 D161 | Y105-A107 HydrophobicContact CD1-CB 4.39Å; Y105-A107 HydrophobicContact CE1-CB 4.16Å; A107-V109 VanDerWaalsContact C-N 3.27Å; A107-V109 HydrophobicContact CB-CG2 4.36Å; A107-V109 PolarHBondContact O-N 3.41Å; A107-L158 HydrophobicContact CB-CD1 4.49Å; A107-I159 PolarHBondContact N-O 3.5Å; A107-L160 HydrophobicContact CB-CD2 3.82Å; A107-D161 PolarHBondContact O-N 3.14Å |
| 108 | P | 96.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | trans | -78.1 | 73.3 | 175 | 32.1 | -35 | 0 | 0 | 0 | 112.2 | P91 G110 R111 D161 I265 S266 W267 | P91-P108 HydrophobicContact CB-CG 4.08Å; P108-G110 VanDerWaalsContact C-N 3.34Å; P108-G110 PolarHBondContact O-N 3.03Å; P108-R111 PolarHBondContact O-N 2.84Å; P108-D161 CarbonylContact C-O 3.56Å; P108-D161 HydrophobicContact CB-CB 4.46Å; P108-I265 HydrophobicContact CG-CG2 4.22Å; P108-S266 WeakPolarHBondContact CG-O 3.28Å; P108-W267 HydrophobicContact CB-CD2 4.15Å; P108-W267 HydrophobicContact CB-CE3 3.37Å; P108-W267 HydrophobicContact CB-CH2 4.47Å; P108-W267 HydrophobicContact CB-CZ3 3.57Å; P108-W267 HydrophobicContact CG-CB 4.42Å; P108-W267 HydrophobicContact CG-CD2 3.88Å; P108-W267 HydrophobicContact CG-CE3 3.62Å; P108-W267 HydrophobicContact CG-CG 4.24Å; P108-W267 HydrophobicContact CG-CZ3 4.2Å | ||
| 109 | V | 95.3 | Very high | 93.9 | Very high | 36 Ų | 36 | 26.9 Ų | 26.9 | 22% | 0.218 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -58.2 | -40.4 | -171.8 | 178.7 | 0 | 0 | 0 | 0 | 112.7 | A107 R111 F112 L160 D161 M162 L165 H169 | A107-V109 VanDerWaalsContact C-N 3.27Å; A107-V109 HydrophobicContact CB-CG2 4.36Å; A107-V109 PolarHBondContact O-N 3.41Å; V109-R111 PolarHBondContact O-N 3.11Å; V109-F112 WeakPolarHBondContact O-CB 3.14Å; V109-F112 PolarHBondContact O-N 3.01Å; V109-L160 HydrophobicContact CG2-CD2 4.03Å; V109-D161 PolarHBondContact N-O 3.35Å; V109-M162 HydrophobicContact CB-SD 3.76Å; V109-M162 HydrophobicContact CG1-CE 4.33Å; V109-M162 HydrophobicContact CG1-SD 4.13Å; V109-M162 HydrophobicContact CG2-SD 4.09Å; V109-L165 HydrophobicContact CG1-CD1 4.5Å; V109-H169 PolarHBondContact O-NE2 3.3Å |
| 110 | G | 92.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -66.3 | -14.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | P108 D161 K163 H164 K168 H169 | P108-G110 VanDerWaalsContact C-N 3.34Å; P108-G110 PolarHBondContact O-N 3.03Å; G110-D161 PolarHBondContact N-O 3.41Å; G110-K163 VanDerWaalsContact CA-O 3.24Å; G110-K163 WeakPolarHBondContact CA-O 3.46Å; G110-H164 CarbonylContact O-C 3.46Å; G110-H164 WeakPolarHBondContact O-CB 3.39Å; G110-K168 PolarHBondContact O-NZ 3.42Å; G110-H169 WeakPolarHBondContact CA-NE2 3.37Å; G110-H169 PolarHBondContact O-CE1 3.29Å; G110-H169 PolarHBondContact O-NE2 3.47Å |
| 111 | R | 93.8 | Very high | 92.9 | Very high | 77 Ų | 77 | 17.7 Ų | 17.7 | 29% | 0.291 | 9% | 0.089 | S | C | . | . | G | 310 helix | trans | -85.7 | -10 | 174.4 | -62.7 | -167.8 | -171.8 | 179.5 | 8.2 | 113.4 | P108 V109 W267 | P108-R111 PolarHBondContact O-N 2.84Å; V109-R111 PolarHBondContact O-N 3.11Å; R111-W267 WeakPolarHBondContact CB-O 2.93Å; R111-W267 WeakPolarHBondContact CD-O 3.46Å; R111-W267 VanDerWaalsContact NH1-CE3 3.32Å |
| 112 | F | 96.1 | Very high | 92.1 | Very high | 7 Ų | 7 | 17.7 Ų | 17.7 | 3% | 0.031 | 9% | 0.088 | C | C | . | . | trans | -61.2 | 139.5 | 179.5 | -174.9 | -132 | 0 | 0 | 0 | 111.9 | F90 P91 V109 P114 F117 K168 W174 | F90-F112 HydrophobicContact CD2-CD2 4.5Å; F90-F112 AromaticContact CD2-CE2 3.9Å; F90-F112 HydrophobicContact CD2-CE2 3.9Å; F90-F112 HydrophobicContact CD2-CZ 4.12Å; F90-F112 HydrophobicContact CE2-CE2 4.41Å; F90-F112 HydrophobicContact CE2-CZ 4.28Å; P91-F112 HydrophobicContact CG-CB 4.14Å; P91-F112 HydrophobicContact CG-CG 4.47Å; V109-F112 WeakPolarHBondContact O-CB 3.14Å; V109-F112 PolarHBondContact O-N 3.01Å; F112-P114 HydrophobicContact CD1-CB 4.08Å; F112-P114 HydrophobicContact CD1-CG 4.41Å; F112-P114 HydrophobicContact CE1-CB 3.65Å; F112-P114 HydrophobicContact CE1-CG 4.46Å; F112-P114 HydrophobicContact CZ-CB 4.3Å; F112-P114 VanDerWaalsContact O-CD 3.28Å; F112-P114 WeakPolarHBondContact O-CD 3.35Å; F112-F117 HydrophobicContact CE2-CB 3.73Å; F112-F117 HydrophobicContact CE2-CD1 4.07Å; F112-F117 AromaticContact CE2-CD2 3.66Å; F112-F117 HydrophobicContact CE2-CD2 3.66Å; F112-F117 HydrophobicContact CE2-CE2 4.22Å; F112-F117 AromaticContact CE2-CG 3.56Å; F112-F117 HydrophobicContact CE2-CG 3.56Å; F112-F117 HydrophobicContact CZ-CB 3.84Å; F112-F117 AromaticContact CZ-CD1 3.76Å; F112-F117 HydrophobicContact CZ-CD1 3.76Å; F112-F117 HydrophobicContact CZ-CD2 4.22Å; F112-F117 HydrophobicContact CZ-CE1 4.33Å; F112-F117 AromaticContact CZ-CG 3.68Å; F112-F117 HydrophobicContact CZ-CG 3.68Å; F112-K168 WeakPolarHBondContact O-CE 3.35Å; F112-K168 PolarHBondContact O-NZ 3.48Å; F112-W174 AromaticContact CE1-CD2 3.85Å; F112-W174 HydrophobicContact CE1-CD2 3.85Å; F112-W174 AromaticContact CE1-CE2 3.56Å; F112-W174 HydrophobicContact CE1-CE3 4.15Å; F112-W174 HydrophobicContact CE1-CG 4.47Å; F112-W174 AromaticContact CE1-CH2 3.9Å; F112-W174 HydrophobicContact CE1-CH2 3.9Å; F112-W174 AromaticContact CE1-CZ2 3.59Å; F112-W174 HydrophobicContact CE1-CZ2 3.59Å; F112-W174 HydrophobicContact CE1-CZ3 4.18Å; F112-W174 HydrophobicContact CZ-CD2 4.34Å; F112-W174 HydrophobicContact CZ-CE3 4.17Å; F112-W174 AromaticContact CZ-CH2 3.84Å; F112-W174 HydrophobicContact CZ-CH2 3.84Å; F112-W174 HydrophobicContact CZ-CZ2 4.04Å; F112-W174 AromaticContact CZ-CZ3 3.93Å; F112-W174 HydrophobicContact CZ-CZ3 3.93Å | ||
| 113 | D | 95.8 | Very high | 91.3 | Very high | 39 Ų | 39 | 18.1 Ų | 18.1 | 21% | 0.209 | 9% | 0.089 | C | C | . | . | trans | -110.9 | 82 | 173.7 | 175.9 | 16.9 | 0 | 0 | 0 | 109.5 | G115 G116 F117 V271 | D113-G115 PolarHBondContact O-N 3.34Å; D113-G115 PolarHBondContact OD1-N 2.85Å; D113-G116 PolarHBondContact O-N 3.12Å; D113-G116 PolarHBondContact OD1-N 3.08Å; D113-G116 WeakPolarHBondContact OD2-CA 3.31Å; D113-G116 PolarHBondContact OD2-N 3.28Å; D113-F117 WeakPolarHBondContact O-CB 3.49Å; D113-F117 PolarHBondContact O-N 2.85Å; D113-V271 PolarHBondContact OD2-N 2.95Å; D113-V271 VanDerWaalsContact OD2-N 3.14Å | ||
| 114 | P | 90.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.9 | -31.6 | -177.5 | 24.6 | -35.7 | 0 | 0 | 0 | 113.1 | F112 M118 K168 H171 W174 | F112-P114 HydrophobicContact CD1-CB 4.08Å; F112-P114 HydrophobicContact CD1-CG 4.41Å; F112-P114 HydrophobicContact CE1-CB 3.65Å; F112-P114 HydrophobicContact CE1-CG 4.46Å; F112-P114 HydrophobicContact CZ-CB 4.3Å; F112-P114 VanDerWaalsContact O-CD 3.28Å; F112-P114 WeakPolarHBondContact O-CD 3.35Å; P114-M118 WeakPolarHBondContact O-CB 3.21Å; P114-M118 VanDerWaalsContact O-CG 3.3Å; P114-M118 WeakPolarHBondContact O-CG 3.44Å; P114-M118 PolarHBondContact O-N 3.26Å; P114-K168 WeakPolarHBondContact CG-O 3.12Å; P114-H171 HydrophobicContact CB-CB 4.06Å; P114-H171 HydrophobicContact CG-CB 3.93Å; P114-W174 HydrophobicContact CB-CB 3.65Å; P114-W174 HydrophobicContact CB-CD2 4.18Å; P114-W174 HydrophobicContact CB-CG 3.65Å |
| 115 | G | 85.8 | Confident | 89.6 | Confident | 11 Ų | 11 | 18.4 Ų | 18.4 | 11% | 0.113 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -71.4 | -45.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | D113 K119 | D113-G115 PolarHBondContact O-N 3.34Å; D113-G115 PolarHBondContact OD1-N 2.85Å; G115-K119 WeakPolarHBondContact O-CG 3.42Å |
| 116 | G | 90.3 | Very high | 89 | Confident | 3 Ų | 3 | 17.2 Ų | 17.2 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -68.1 | -41 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D113 M118 K119 A120 | D113-G116 PolarHBondContact O-N 3.12Å; D113-G116 PolarHBondContact OD1-N 3.08Å; D113-G116 WeakPolarHBondContact OD2-CA 3.31Å; D113-G116 PolarHBondContact OD2-N 3.28Å; G116-M118 PolarHBondContact O-N 3.12Å; G116-K119 WeakPolarHBondContact O-CB 3.39Å; G116-K119 PolarHBondContact O-N 3.14Å; G116-K119 VanDerWaalsContact O-N 3.14Å; G116-A120 PolarHBondContact O-N 3.48Å; G116-A120 VanDerWaalsContact O-N 3.12Å |
| 117 | F | 92.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -56.6 | -52.4 | 178.3 | -171.7 | -97.1 | 0 | 0 | 0 | 111.6 | I86 F90 F112 D113 K119 A120 T121 F126 W174 V271 | I86-F117 HydrophobicContact CB-CZ 4.48Å; I86-F117 HydrophobicContact CG1-CE2 4.25Å; I86-F117 HydrophobicContact CG1-CZ 3.91Å; I86-F117 HydrophobicContact CG2-CZ 4.42Å; F90-F117 HydrophobicContact CB-CE2 3.94Å; F90-F117 HydrophobicContact CB-CZ 4.25Å; F90-F117 HydrophobicContact CD2-CE2 4.28Å; F90-F117 HydrophobicContact CD2-CZ 4.04Å; F112-F117 HydrophobicContact CE2-CB 3.73Å; F112-F117 HydrophobicContact CE2-CD1 4.07Å; F112-F117 AromaticContact CE2-CD2 3.66Å; F112-F117 HydrophobicContact CE2-CD2 3.66Å; F112-F117 HydrophobicContact CE2-CE2 4.22Å; F112-F117 AromaticContact CE2-CG 3.56Å; F112-F117 HydrophobicContact CE2-CG 3.56Å; F112-F117 HydrophobicContact CZ-CB 3.84Å; F112-F117 AromaticContact CZ-CD1 3.76Å; F112-F117 HydrophobicContact CZ-CD1 3.76Å; F112-F117 HydrophobicContact CZ-CD2 4.22Å; F112-F117 HydrophobicContact CZ-CE1 4.33Å; F112-F117 AromaticContact CZ-CG 3.68Å; F112-F117 HydrophobicContact CZ-CG 3.68Å; D113-F117 WeakPolarHBondContact O-CB 3.49Å; D113-F117 PolarHBondContact O-N 2.85Å; F117-K119 PolarHBondContact O-N 3Å; F117-K119 VanDerWaalsContact O-N 3.17Å; F117-A120 CarbonylContact O-C 3.58Å; F117-A120 WeakPolarHBondContact O-CA 3.47Å; F117-A120 PolarHBondContact O-N 2.64Å; F117-T121 HydrophobicContact CD1-CG2 4.48Å; F117-T121 WeakPolarHBondContact CD1-OG1 3.31Å; F117-T121 HydrophobicContact CD2-CG2 4.35Å; F117-T121 HydrophobicContact CE1-CG2 4.2Å; F117-T121 WeakPolarHBondContact CE1-OG1 3.44Å; F117-T121 HydrophobicContact CE2-CG2 4.07Å; F117-T121 HydrophobicContact CZ-CG2 3.99Å; F117-T121 PolarHBondContact O-N 3.42Å; F117-T121 PolarHBondContact O-OG1 3.42Å; F117-T121 VanDerWaalsContact O-OG1 3.07Å; F117-F126 HydrophobicContact CE1-CB 4.27Å; F117-F126 AromaticContact CE1-CD2 3.61Å; F117-F126 HydrophobicContact CE1-CD2 3.61Å; F117-F126 HydrophobicContact CE1-CE2 4.21Å; F117-F126 AromaticContact CE1-CG 3.99Å; F117-F126 HydrophobicContact CE1-CG 3.99Å; F117-F126 AromaticContact CZ-CD2 3.58Å; F117-F126 HydrophobicContact CZ-CD2 3.58Å; F117-F126 HydrophobicContact CZ-CE2 4.11Å; F117-F126 HydrophobicContact CZ-CG 4.37Å; F117-W174 HydrophobicContact CD1-CE3 4.49Å; F117-W174 HydrophobicContact CD1-CZ3 4.01Å; F117-W174 AromaticContact CE1-CZ3 3.98Å; F117-W174 HydrophobicContact CE1-CZ3 3.98Å; F117-V271 HydrophobicContact CB-CG2 4.36Å |
| 118 | M | 85.4 | Confident | 88 | Confident | 23 Ų | 23 | 17.8 Ų | 17.8 | 11% | 0.113 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.1 | -18.8 | -179.9 | -68.4 | -50.9 | -52.1 | 0 | 0 | 114.3 | P114 G116 T121 W174 V177 R277 | P114-M118 WeakPolarHBondContact O-CB 3.21Å; P114-M118 VanDerWaalsContact O-CG 3.3Å; P114-M118 WeakPolarHBondContact O-CG 3.44Å; P114-M118 PolarHBondContact O-N 3.26Å; G116-M118 PolarHBondContact O-N 3.12Å; M118-T121 VanDerWaalsContact O-O 3.08Å; M118-W174 HydrophobicContact CG-CB 4.44Å; M118-W174 HydrophobicContact CG-CE3 4.11Å; M118-W174 HydrophobicContact SD-CE3 3.73Å; M118-W174 HydrophobicContact SD-CZ3 4.11Å; M118-V177 HydrophobicContact CE-CG2 3.65Å; M118-V177 HydrophobicContact SD-CB 4.48Å; M118-V177 HydrophobicContact SD-CG1 4.44Å; M118-V177 HydrophobicContact SD-CG2 4.1Å; M118-R277 PolarHBondContact O-NH2 2.99Å |
| 119 | K | 85.4 | Confident | 87.7 | Confident | 120 Ų | 120 | 18 Ų | 18 | 52% | 0.522 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -77.2 | -30.9 | 170 | -70.9 | 173.1 | -176.9 | 176.4 | 0 | 111.8 | G115 G116 F117 F276 R277 | G115-K119 WeakPolarHBondContact O-CG 3.42Å; G116-K119 WeakPolarHBondContact O-CB 3.39Å; G116-K119 PolarHBondContact O-N 3.14Å; G116-K119 VanDerWaalsContact O-N 3.14Å; F117-K119 PolarHBondContact O-N 3Å; F117-K119 VanDerWaalsContact O-N 3.17Å; K119-F276 HydrophobicContact CB-CB 4.21Å; K119-F276 HydrophobicContact CB-CD1 3.67Å; K119-F276 HydrophobicContact CB-CD2 4.14Å; K119-F276 HydrophobicContact CB-CE1 4.03Å; K119-F276 HydrophobicContact CB-CE2 4.47Å; K119-F276 HydrophobicContact CB-CG 3.74Å; K119-F276 HydrophobicContact CB-CZ 4.42Å; K119-F276 HydrophobicContact CD-CD2 3.82Å; K119-F276 HydrophobicContact CD-CE1 4.36Å; K119-F276 HydrophobicContact CD-CE2 3.62Å; K119-F276 HydrophobicContact CD-CG 4.28Å; K119-F276 HydrophobicContact CD-CZ 3.92Å; K119-R277 WeakPolarHBondContact O-CB 3.37Å; K119-R277 PolarHBondContact O-N 3.34Å; K119-R277 PolarHBondContact O-NE 2.89Å |
| 120 | A | 87.1 | Confident | 87.6 | Confident | 8 Ų | 8 | 18 Ų | 18 | 7% | 0.066 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -93.2 | -19.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | V85 G116 F117 V271 L275 F276 R277 | V85-A120 HydrophobicContact CG2-CB 3.69Å; G116-A120 PolarHBondContact O-N 3.48Å; G116-A120 VanDerWaalsContact O-N 3.12Å; F117-A120 CarbonylContact O-C 3.58Å; F117-A120 WeakPolarHBondContact O-CA 3.47Å; F117-A120 PolarHBondContact O-N 2.64Å; A120-V271 HydrophobicContact CB-CG1 3.69Å; A120-L275 WeakPolarHBondContact CA-O 3.27Å; A120-L275 HydrophobicContact CB-CB 4.37Å; A120-L275 VanDerWaalsContact CB-O 3.32Å; A120-L275 WeakPolarHBondContact CB-O 3.41Å; A120-F276 HydrophobicContact CB-CD1 4.27Å; A120-R277 WeakPolarHBondContact O-CD 3.37Å; A120-R277 WeakPolarHBondContact O-CG 3.26Å |
| 121 | T | 83.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -126.2 | 153.7 | -178.3 | 66.5 | 0 | 0 | 0 | 0 | 112.3 | V85 I86 F117 M118 R277 | V85-T121 HydrophobicContact CB-CG2 4.49Å; V85-T121 HydrophobicContact CG1-CG2 3.51Å; V85-T121 HydrophobicContact CG2-CG2 4.24Å; I86-T121 HydrophobicContact CD1-CG2 4.25Å; I86-T121 HydrophobicContact CG1-CG2 3.6Å; F117-T121 HydrophobicContact CD1-CG2 4.48Å; F117-T121 WeakPolarHBondContact CD1-OG1 3.31Å; F117-T121 HydrophobicContact CD2-CG2 4.35Å; F117-T121 HydrophobicContact CE1-CG2 4.2Å; F117-T121 WeakPolarHBondContact CE1-OG1 3.44Å; F117-T121 HydrophobicContact CE2-CG2 4.07Å; F117-T121 HydrophobicContact CZ-CG2 3.99Å; F117-T121 PolarHBondContact O-N 3.42Å; F117-T121 PolarHBondContact O-OG1 3.42Å; F117-T121 VanDerWaalsContact O-OG1 3.07Å; M118-T121 VanDerWaalsContact O-O 3.08Å; T121-R277 PolarHBondContact O-NE 3.41Å; T121-R277 PolarHBondContact O-NH2 3.19Å |
| 122 | T | 80.7 | Confident | 87.5 | Confident | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.006 | 8% | 0.081 | C | C | . | . | trans | -81.3 | 163.3 | 166.9 | 76.2 | 0 | 0 | 0 | 0 | 111.1 | A124 E125 F126 D319 Y369 | T122-A124 PolarHBondContact OG1-N 2.85Å; T122-E125 HydrophobicContact CG2-CG 4.22Å; T122-E125 VanDerWaalsContact CG2-OE2 3.24Å; T122-E125 WeakPolarHBondContact CG2-OE2 3.42Å; T122-E125 PolarHBondContact N-OE2 3.33Å; T122-E125 WeakPolarHBondContact OG1-CB 3.4Å; T122-E125 WeakPolarHBondContact OG1-CG 3.49Å; T122-E125 PolarHBondContact OG1-N 2.94Å; T122-E125 PolarHBondContact OG1-OE2 2.85Å; T122-F126 PolarHBondContact O-N 3.44Å; T122-D319 WeakPolarHBondContact CB-OD2 3.44Å; T122-D319 WeakPolarHBondContact CG2-OD2 3.36Å; T122-Y369 HydrophobicContact CG2-CE2 3.98Å | ||
| 123 | Q | 79.9 | Confident | 87.4 | Confident | 18 Ų | 18 | 17.9 Ų | 17.9 | 8% | 0.084 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -65 | -44.8 | 168.2 | -179.2 | -175.2 | -53.8 | 0 | 0 | 111 | E125 F126 I127 V177 E180 K318 | Q123-E125 PolarHBondContact O-N 2.81Å; Q123-F126 PolarHBondContact O-N 3.39Å; Q123-I127 HydrophobicContact CG-CD1 3.66Å; Q123-I127 HydrophobicContact CG-CG1 4.2Å; Q123-I127 WeakPolarHBondContact O-CG1 3.46Å; Q123-I127 PolarHBondContact O-N 3.3Å; Q123-V177 HydrophobicContact CB-CG2 3.98Å; Q123-V177 HydrophobicContact CG-CB 4.26Å; Q123-V177 HydrophobicContact CG-CG1 3.97Å; Q123-V177 HydrophobicContact CG-CG2 3.72Å; Q123-E180 PolarHBondContact NE2-OE1 2.86Å; Q123-E180 PolarHBondContact NE2-OE2 2.7Å; Q123-K318 VanDerWaalsContact CD-NZ 3.26Å; Q123-K318 VanDerWaalsContact OE1-CE 3.28Å |
| 124 | A | 78.5 | Confident | 87.3 | Confident | 3 Ų | 3 | 16.9 Ų | 16.9 | 3% | 0.025 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -57.2 | -49.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T122 F126 I127 Q128 D319 I398 | T122-A124 PolarHBondContact OG1-N 2.85Å; A124-F126 VanDerWaalsContact C-N 3.31Å; A124-F126 PolarHBondContact O-N 3.26Å; A124-I127 PolarHBondContact O-N 3.49Å; A124-Q128 WeakPolarHBondContact O-CB 3.46Å; A124-Q128 PolarHBondContact O-N 3Å; A124-D319 HydrophobicContact CB-CB 3.73Å; A124-I398 HydrophobicContact CB-CG2 4.16Å |
| 125 | E | 81.1 | Confident | 87.4 | Confident | 6 Ų | 6 | 17 Ų | 17 | 3% | 0.028 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -56.8 | -46.9 | 175.7 | -75.5 | 168.2 | 144.9 | 0 | 0 | 111.1 | Y80 P83 I86 T122 Q123 S129 Y369 | Y80-E125 PolarHBondContact OH-O 3.01Å; P83-E125 HydrophobicContact CG-CB 4.17Å; P83-E125 HydrophobicContact CG-CG 4.07Å; I86-E125 HydrophobicContact CD1-CB 3.85Å; T122-E125 HydrophobicContact CG2-CG 4.22Å; T122-E125 VanDerWaalsContact CG2-OE2 3.24Å; T122-E125 WeakPolarHBondContact CG2-OE2 3.42Å; T122-E125 PolarHBondContact N-OE2 3.33Å; T122-E125 WeakPolarHBondContact OG1-CB 3.4Å; T122-E125 WeakPolarHBondContact OG1-CG 3.49Å; T122-E125 PolarHBondContact OG1-N 2.94Å; T122-E125 PolarHBondContact OG1-OE2 2.85Å; Q123-E125 PolarHBondContact O-N 2.81Å; E125-S129 VanDerWaalsContact O-CB 3.25Å; E125-S129 WeakPolarHBondContact O-CB 3.24Å; E125-S129 PolarHBondContact O-N 3.4Å; E125-S129 PolarHBondContact O-OG 3.26Å; E125-Y369 WeakPolarHBondContact CG-OH 3.28Å; E125-Y369 WeakPolarHBondContact OE1-CE2 3.43Å; E125-Y369 PolarHBondContact OE1-OH 2.91Å |
| 126 | F | 86.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.7 | -51.4 | -179.6 | 179.4 | -108.2 | 0 | 0 | 0 | 111.3 | I86 F90 F117 T122 Q123 A124 Q128 S129 R130 W174 V177 M181 | I86-F126 HydrophobicContact CD1-CB 4.47Å; F90-F126 HydrophobicContact CD1-CE2 4.44Å; F90-F126 HydrophobicContact CD2-CD2 4.37Å; F90-F126 AromaticContact CD2-CE2 3.46Å; F90-F126 HydrophobicContact CD2-CE2 3.46Å; F90-F126 VanDerWaalsContact CD2-CE2 3.46Å; F90-F126 HydrophobicContact CD2-CZ 4.07Å; F90-F126 HydrophobicContact CE1-CE2 4.4Å; F90-F126 AromaticContact CE2-CE2 3.39Å; F90-F126 HydrophobicContact CE2-CE2 3.39Å; F90-F126 AromaticContact CE2-CZ 3.49Å; F90-F126 HydrophobicContact CE2-CZ 3.49Å; F90-F126 VanDerWaalsContact CE2-CZ 3.49Å; F90-F126 HydrophobicContact CG-CE2 4.01Å; F90-F126 AromaticContact CZ-CE2 3.88Å; F90-F126 HydrophobicContact CZ-CE2 3.88Å; F90-F126 AromaticContact CZ-CZ 3.79Å; F90-F126 HydrophobicContact CZ-CZ 3.79Å; F117-F126 HydrophobicContact CE1-CB 4.27Å; F117-F126 AromaticContact CE1-CD2 3.61Å; F117-F126 HydrophobicContact CE1-CD2 3.61Å; F117-F126 HydrophobicContact CE1-CE2 4.21Å; F117-F126 AromaticContact CE1-CG 3.99Å; F117-F126 HydrophobicContact CE1-CG 3.99Å; F117-F126 AromaticContact CZ-CD2 3.58Å; F117-F126 HydrophobicContact CZ-CD2 3.58Å; F117-F126 HydrophobicContact CZ-CE2 4.11Å; F117-F126 HydrophobicContact CZ-CG 4.37Å; T122-F126 PolarHBondContact O-N 3.44Å; Q123-F126 PolarHBondContact O-N 3.39Å; A124-F126 VanDerWaalsContact C-N 3.31Å; A124-F126 PolarHBondContact O-N 3.26Å; F126-Q128 PolarHBondContact O-N 3.28Å; F126-S129 PolarHBondContact O-N 3.4Å; F126-S129 PolarHBondContact O-OG 2.76Å; F126-R130 HydrophobicContact CD1-CG 4.46Å; F126-R130 HydrophobicContact CD2-CG 4.39Å; F126-R130 HydrophobicContact CE1-CG 3.95Å; F126-R130 HydrophobicContact CE2-CG 3.85Å; F126-R130 HydrophobicContact CZ-CG 3.6Å; F126-R130 WeakPolarHBondContact O-CG 3.28Å; F126-R130 PolarHBondContact O-N 3.02Å; F126-W174 HydrophobicContact CD1-CH2 4.1Å; F126-W174 HydrophobicContact CD1-CZ3 4.05Å; F126-W174 AromaticContact CE1-CH2 3.46Å; F126-W174 HydrophobicContact CE1-CH2 3.46Å; F126-W174 VanDerWaalsContact CE1-CH2 3.46Å; F126-W174 HydrophobicContact CE1-CZ2 4.46Å; F126-W174 AromaticContact CE1-CZ3 3.88Å; F126-W174 HydrophobicContact CE1-CZ3 3.88Å; F126-W174 HydrophobicContact CE2-CH2 4.06Å; F126-W174 HydrophobicContact CG-CZ3 4.43Å; F126-W174 AromaticContact CZ-CH2 3.45Å; F126-W174 HydrophobicContact CZ-CH2 3.45Å; F126-W174 VanDerWaalsContact CZ-CH2 3.45Å; F126-W174 HydrophobicContact CZ-CZ2 4.41Å; F126-W174 HydrophobicContact CZ-CZ3 4.17Å; F126-V177 HydrophobicContact CD1-CG1 3.45Å; F126-V177 VanDerWaalsContact CD1-CG1 3.45Å; F126-V177 HydrophobicContact CE1-CG1 4.11Å; F126-V177 HydrophobicContact CG-CG1 4.33Å; F126-M181 HydrophobicContact CE1-CB 4.24Å; F126-M181 HydrophobicContact CE1-CG 4.13Å; F126-M181 HydrophobicContact CE1-SD 3.65Å; F126-M181 HydrophobicContact CZ-SD 3.73Å |
| 127 | I | 87.3 | Confident | 87.9 | Confident | 11 Ų | 11 | 20.8 Ų | 20.8 | 6% | 0.056 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61 | -46.3 | -179.8 | -69.5 | 178.3 | 0 | 0 | 0 | 110.9 | Q123 A124 S129 R130 I131 E180 I184 | Q123-I127 HydrophobicContact CG-CD1 3.66Å; Q123-I127 HydrophobicContact CG-CG1 4.2Å; Q123-I127 WeakPolarHBondContact O-CG1 3.46Å; Q123-I127 PolarHBondContact O-N 3.3Å; A124-I127 PolarHBondContact O-N 3.49Å; I127-S129 VanDerWaalsContact C-N 3.3Å; I127-S129 PolarHBondContact O-N 3.25Å; I127-R130 WeakPolarHBondContact O-CA 3.44Å; I127-R130 WeakPolarHBondContact O-CB 3.49Å; I127-R130 PolarHBondContact O-N 2.87Å; I127-I131 HydrophobicContact CG2-CD1 3.93Å; I127-I131 HydrophobicContact CG2-CG1 4.44Å; I127-I131 WeakPolarHBondContact O-CG1 3.05Å; I127-I131 PolarHBondContact O-N 2.87Å; I127-E180 HydrophobicContact CD1-CB 4.18Å; I127-E180 HydrophobicContact CD1-CG 3.79Å; I127-E180 WeakPolarHBondContact CD1-OE1 3.32Å; I127-I184 HydrophobicContact CD1-CD1 4.34Å; I127-I184 HydrophobicContact CG2-CD1 3.54Å |
| 128 | Q | 85.5 | Confident | 87.8 | Confident | 9 Ų | 9 | 21.5 Ų | 21.5 | 4% | 0.042 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.7 | -38.1 | 178.6 | -165.2 | 175.1 | 13.5 | 0 | 0 | 111.6 | L76 Y80 A124 F126 R130 I131 Y132 S321 | L76-Q128 HydrophobicContact CD2-CG 3.9Å; Y80-Q128 VanDerWaalsContact CD2-CD 3.48Å; Y80-Q128 HydrophobicContact CD2-CG 3.82Å; Y80-Q128 HydrophobicContact CE2-CB 4.01Å; Y80-Q128 HydrophobicContact CE2-CG 3.57Å; Y80-Q128 HydrophobicContact CG-CG 4.44Å; A124-Q128 WeakPolarHBondContact O-CB 3.46Å; A124-Q128 PolarHBondContact O-N 3Å; F126-Q128 PolarHBondContact O-N 3.28Å; Q128-R130 VanDerWaalsContact C-N 3.25Å; Q128-R130 PolarHBondContact O-N 3.1Å; Q128-I131 PolarHBondContact O-N 3.05Å; Q128-Y132 WeakPolarHBondContact O-CB 3.18Å; Q128-Y132 PolarHBondContact O-N 2.92Å; Q128-S321 PolarHBondContact OE1-OG 3.48Å |
| 129 | S | 90.1 | Very high | 87.9 | Confident | 5 Ų | 5 | 21.5 Ų | 21.5 | 4% | 0.035 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.5 | -33.4 | 173.3 | 79.4 | 0 | 0 | 0 | 0 | 112.7 | Y80 E125 F126 I127 F133 | Y80-S129 PolarHBondContact OH-N 3.2Å; E125-S129 VanDerWaalsContact O-CB 3.25Å; E125-S129 WeakPolarHBondContact O-CB 3.24Å; E125-S129 PolarHBondContact O-N 3.4Å; E125-S129 PolarHBondContact O-OG 3.26Å; F126-S129 PolarHBondContact O-N 3.4Å; F126-S129 PolarHBondContact O-OG 2.76Å; I127-S129 VanDerWaalsContact C-N 3.3Å; I127-S129 PolarHBondContact O-N 3.25Å; S129-F133 WeakPolarHBondContact O-CB 3.02Å; S129-F133 PolarHBondContact O-N 3.13Å |
| 130 | R | 92.9 | Very high | 88.2 | Confident | 37 Ų | 37 | 20.3 Ų | 20.3 | 14% | 0.14 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -74.6 | -38.5 | 177.3 | -66.8 | -52.9 | -50.8 | -163 | 0.9 | 112 | F126 I127 Q128 F133 M134 M181 M185 | F126-R130 HydrophobicContact CD1-CG 4.46Å; F126-R130 HydrophobicContact CD2-CG 4.39Å; F126-R130 HydrophobicContact CE1-CG 3.95Å; F126-R130 HydrophobicContact CE2-CG 3.85Å; F126-R130 HydrophobicContact CZ-CG 3.6Å; F126-R130 WeakPolarHBondContact O-CG 3.28Å; F126-R130 PolarHBondContact O-N 3.02Å; I127-R130 WeakPolarHBondContact O-CA 3.44Å; I127-R130 WeakPolarHBondContact O-CB 3.49Å; I127-R130 PolarHBondContact O-N 2.87Å; Q128-R130 VanDerWaalsContact C-N 3.25Å; Q128-R130 PolarHBondContact O-N 3.1Å; R130-F133 PolarHBondContact O-N 3.09Å; R130-M134 WeakPolarHBondContact O-CG 3.42Å; R130-M134 PolarHBondContact O-N 2.71Å; R130-M181 HydrophobicContact CB-CG 4.23Å; R130-M181 HydrophobicContact CG-CG 4Å; R130-M181 HydrophobicContact CG-SD 3.9Å; R130-M185 HydrophobicContact CB-CE 4.27Å |
| 131 | I | 90.3 | Very high | 88.5 | Confident | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.01 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.4 | -52.8 | 172.4 | -64.8 | 168.6 | 0 | 0 | 0 | 109.5 | W67 V73 L76 I127 Q128 F133 M134 E135 I184 M185 Y189 | W67-I131 HydrophobicContact CH2-CD1 3.99Å; W67-I131 HydrophobicContact CH2-CG1 3.99Å; W67-I131 HydrophobicContact CH2-CG2 3.93Å; W67-I131 HydrophobicContact CZ2-CD1 3.62Å; W67-I131 HydrophobicContact CZ2-CG1 4.02Å; V73-I131 HydrophobicContact CG1-CG2 4.07Å; V73-I131 HydrophobicContact CG2-CG2 4.06Å; L76-I131 HydrophobicContact CD1-CB 4.13Å; L76-I131 HydrophobicContact CD1-CG2 3.33Å; I127-I131 HydrophobicContact CG2-CD1 3.93Å; I127-I131 HydrophobicContact CG2-CG1 4.44Å; I127-I131 WeakPolarHBondContact O-CG1 3.05Å; I127-I131 PolarHBondContact O-N 2.87Å; Q128-I131 PolarHBondContact O-N 3.05Å; I131-F133 VanDerWaalsContact C-N 3.25Å; I131-F133 PolarHBondContact O-N 3.34Å; I131-M134 PolarHBondContact O-N 3.05Å; I131-M134 VanDerWaalsContact O-N 3.1Å; I131-E135 PolarHBondContact O-N 3.17Å; I131-I184 HydrophobicContact CG1-CG2 4.4Å; I131-M185 HydrophobicContact CG1-CE 4.49Å; I131-Y189 WeakPolarHBondContact CG2-OH 3.16Å |
| 132 | Y | 92.8 | Very high | 88.8 | Confident | 45 Ų | 45 | 20.7 Ų | 20.7 | 18% | 0.176 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -51.8 | -46.8 | 174.2 | 173.3 | -83.3 | 0 | 0 | 0 | 111.5 | L76 L77 Y80 I82 Q128 M134 E135 Y136 | L76-Y132 HydrophobicContact CB-CD2 4.31Å; L76-Y132 WeakPolarHBondContact O-CD2 3.46Å; L76-Y132 WeakPolarHBondContact O-CE2 3.25Å; L77-Y132 HydrophobicContact CD2-CD2 3.97Å; L77-Y132 HydrophobicContact CD2-CE2 3.76Å; L77-Y132 HydrophobicContact CD2-CG 4.49Å; Y80-Y132 AromaticContact CD1-CD2 3.71Å; Y80-Y132 HydrophobicContact CD1-CD2 3.71Å; Y80-Y132 HydrophobicContact CD1-CE2 4.5Å; Y80-Y132 AromaticContact CD1-CG 3.76Å; Y80-Y132 HydrophobicContact CD1-CG 3.76Å; Y80-Y132 HydrophobicContact CE1-CG 4.41Å; Y80-Y132 HydrophobicContact CG-CD2 4.34Å; Y80-Y132 WeakPolarHBondContact O-CE2 3.45Å; I82-Y132 HydrophobicContact CD1-CD1 3.73Å; I82-Y132 HydrophobicContact CD1-CE1 3.79Å; I82-Y132 HydrophobicContact CG1-CD1 3.94Å; I82-Y132 HydrophobicContact CG1-CE1 4.18Å; Q128-Y132 WeakPolarHBondContact O-CB 3.18Å; Q128-Y132 PolarHBondContact O-N 2.92Å; Y132-M134 VanDerWaalsContact C-N 3.33Å; Y132-M134 PolarHBondContact O-N 2.88Å; Y132-E135 PolarHBondContact O-N 3.32Å; Y132-Y136 WeakPolarHBondContact O-CB 3.32Å; Y132-Y136 PolarHBondContact O-N 2.9Å |
| 133 | F | 93.7 | Very high | 89.2 | Confident | 34 Ų | 34 | 22.1 Ų | 22.1 | 15% | 0.149 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.2 | -38.5 | -178.3 | -175.5 | -111.5 | 0 | 0 | 0 | 112.4 | F94 Y105 S129 R130 I131 Y136 I137 | F94-F133 HydrophobicContact CE2-CE2 4.12Å; F94-F133 AromaticContact CE2-CZ 3.74Å; F94-F133 HydrophobicContact CE2-CZ 3.74Å; F94-F133 HydrophobicContact CZ-CZ 4.31Å; Y105-F133 AromaticContact CD2-CZ 3.96Å; Y105-F133 HydrophobicContact CD2-CZ 3.96Å; Y105-F133 AromaticContact CE2-CE1 3.83Å; Y105-F133 HydrophobicContact CE2-CE1 3.83Å; Y105-F133 HydrophobicContact CE2-CE2 4.17Å; Y105-F133 AromaticContact CE2-CZ 3.23Å; Y105-F133 HydrophobicContact CE2-CZ 3.23Å; Y105-F133 AromaticContact CZ-CE1 3.81Å; Y105-F133 AromaticContact CZ-CZ 3.65Å; S129-F133 WeakPolarHBondContact O-CB 3.02Å; S129-F133 PolarHBondContact O-N 3.13Å; R130-F133 PolarHBondContact O-N 3.09Å; I131-F133 VanDerWaalsContact C-N 3.25Å; I131-F133 PolarHBondContact O-N 3.34Å; F133-Y136 PolarHBondContact O-N 3.3Å; F133-I137 HydrophobicContact CD1-CD1 3.74Å; F133-I137 HydrophobicContact CE1-CD1 3.23Å; F133-I137 HydrophobicContact CE1-CG1 4.11Å; F133-I137 HydrophobicContact CE2-CD1 4.33Å; F133-I137 HydrophobicContact CE2-CG1 4.35Å; F133-I137 HydrophobicContact CG-CD1 4.46Å; F133-I137 HydrophobicContact CZ-CD1 3.53Å; F133-I137 HydrophobicContact CZ-CG1 3.97Å; F133-I137 VanDerWaalsContact O-CG1 3.28Å; F133-I137 WeakPolarHBondContact O-CG1 3.29Å; F133-I137 PolarHBondContact O-N 2.89Å |
| 134 | M | 94.1 | Very high | 89.7 | Confident | 18 Ų | 18 | 26.8 Ų | 26.8 | 9% | 0.089 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.1 | -42.1 | 175.2 | -69.3 | -54.1 | -69.9 | 0 | 0 | 112.5 | R130 I131 Y132 Y136 I137 I138 M185 Y189 V192 | R130-M134 WeakPolarHBondContact O-CG 3.42Å; R130-M134 PolarHBondContact O-N 2.71Å; I131-M134 PolarHBondContact O-N 3.05Å; I131-M134 VanDerWaalsContact O-N 3.1Å; Y132-M134 VanDerWaalsContact C-N 3.33Å; Y132-M134 PolarHBondContact O-N 2.88Å; M134-Y136 VanDerWaalsContact C-N 3.29Å; M134-Y136 PolarHBondContact O-N 3.34Å; M134-I137 PolarHBondContact O-N 3.03Å; M134-I137 HydrophobicContact SD-CD1 4.21Å; M134-I138 WeakPolarHBondContact O-CG1 3.3Å; M134-I138 PolarHBondContact O-N 2.89Å; M134-M185 HydrophobicContact CG-CE 4.31Å; M134-M185 HydrophobicContact CG-SD 3.41Å; M134-M185 WeakPolarHBondContact CG-SD 3.49Å; M134-M185 HydrophobicContact SD-SD 4.12Å; M134-Y189 HydrophobicContact CB-CD1 3.59Å; M134-Y189 HydrophobicContact CB-CD2 3.92Å; M134-Y189 HydrophobicContact CB-CE1 3.43Å; M134-Y189 VanDerWaalsContact CB-CE1 3.43Å; M134-Y189 HydrophobicContact CB-CE2 3.78Å; M134-Y189 HydrophobicContact CB-CG 3.82Å; M134-Y189 HydrophobicContact CE-CD1 4.15Å; M134-Y189 HydrophobicContact CE-CD2 4.5Å; M134-Y189 HydrophobicContact CE-CG 3.8Å; M134-Y189 HydrophobicContact CG-CD1 4.22Å; M134-Y189 HydrophobicContact CG-CD2 3.84Å; M134-Y189 HydrophobicContact CG-CE1 4.39Å; M134-Y189 HydrophobicContact CG-CE2 4.03Å; M134-Y189 HydrophobicContact CG-CG 3.93Å; M134-V192 HydrophobicContact CE-CB 4.01Å; M134-V192 HydrophobicContact CE-CG1 3.9Å; M134-V192 HydrophobicContact CE-CG2 3.92Å |
| 135 | E | 93.2 | Very high | 90.3 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 1% | 0.014 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.4 | -43.1 | 172.7 | -65 | -59.1 | 131.4 | 0 | 0 | 110.8 | R68 V73 L77 I131 Y132 I137 I138 Q139 Y189 | R68-E135 IonicContact CZ-OE1 2.65Å; R68-E135 IonicContact CZ-OE2 3.57Å; R68-E135 IonicContact NH1-OE1 3.54Å; R68-E135 PolarHBondContact NH1-OE1 2.89Å; R68-E135 IonicContact NH1-OE2 3.75Å; R68-E135 PolarHBondContact NH1-OE2 3.4Å; R68-E135 IonicContact NH2-OE1 2.65Å; R68-E135 IonicContact NH2-OE2 3.24Å; R68-E135 PolarHBondContact NH2-OE2 3.33Å; V73-E135 HydrophobicContact CG1-CG 3.55Å; V73-E135 WeakPolarHBondContact CG1-OE1 3.39Å; L77-E135 HydrophobicContact CD1-CB 4.13Å; L77-E135 HydrophobicContact CD2-CB 3.99Å; L77-E135 HydrophobicContact CG-CB 3.97Å; I131-E135 PolarHBondContact O-N 3.17Å; Y132-E135 PolarHBondContact O-N 3.32Å; E135-I137 PolarHBondContact O-N 2.86Å; E135-I138 PolarHBondContact O-N 3.01Å; E135-Q139 VanDerWaalsContact O-CB 3.22Å; E135-Q139 WeakPolarHBondContact O-CB 3.37Å; E135-Q139 WeakPolarHBondContact O-CG 3.43Å; E135-Q139 PolarHBondContact O-N 3.4Å; E135-Q139 PolarHBondContact OE2-NE2 3.34Å; E135-Y189 WeakPolarHBondContact OE1-CE1 3.27Å; E135-Y189 PolarHBondContact OE1-OH 3.36Å |
| 136 | Y | 92.9 | Very high | 90.8 | Very high | 91 Ų | 91 | 28.3 Ų | 28.3 | 36% | 0.357 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -61.8 | -44.6 | 178.2 | 174.5 | -98.9 | 0 | 0 | 0 | 111.8 | Y132 F133 M134 I138 R140 V141 | Y132-Y136 WeakPolarHBondContact O-CB 3.32Å; Y132-Y136 PolarHBondContact O-N 2.9Å; F133-Y136 PolarHBondContact O-N 3.3Å; M134-Y136 VanDerWaalsContact C-N 3.29Å; M134-Y136 PolarHBondContact O-N 3.34Å; Y136-I138 PolarHBondContact O-N 3.22Å; Y136-R140 HydrophobicContact CD2-CB 4.06Å; Y136-R140 HydrophobicContact CD2-CG 3.83Å; Y136-R140 HydrophobicContact CE2-CB 3.95Å; Y136-R140 HydrophobicContact CE2-CG 4.02Å; Y136-R140 WeakPolarHBondContact O-CA 3.43Å; Y136-R140 VanDerWaalsContact O-CB 3.24Å; Y136-R140 WeakPolarHBondContact O-CB 3.44Å; Y136-R140 PolarHBondContact O-N 3.15Å; Y136-V141 HydrophobicContact CD1-CG2 3.86Å; Y136-V141 HydrophobicContact CE1-CG2 3.42Å; Y136-V141 VanDerWaalsContact CE1-CG2 3.42Å; Y136-V141 PolarHBondContact O-N 3.15Å |
| 137 | I | 92.4 | Very high | 90.9 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | I | π-helix | trans | -57.2 | -53 | 175.3 | -73.1 | 172 | 0 | 0 | 0 | 110.5 | F94 F133 M134 E135 V141 L142 L156 V192 | F94-I137 HydrophobicContact CE2-CD1 4.25Å; F94-I137 HydrophobicContact CE2-CG1 3.85Å; F94-I137 HydrophobicContact CZ-CD1 3.87Å; F94-I137 HydrophobicContact CZ-CG1 3.69Å; F133-I137 HydrophobicContact CD1-CD1 3.74Å; F133-I137 HydrophobicContact CE1-CD1 3.23Å; F133-I137 HydrophobicContact CE1-CG1 4.11Å; F133-I137 HydrophobicContact CE2-CD1 4.33Å; F133-I137 HydrophobicContact CE2-CG1 4.35Å; F133-I137 HydrophobicContact CG-CD1 4.46Å; F133-I137 HydrophobicContact CZ-CD1 3.53Å; F133-I137 HydrophobicContact CZ-CG1 3.97Å; F133-I137 VanDerWaalsContact O-CG1 3.28Å; F133-I137 WeakPolarHBondContact O-CG1 3.29Å; F133-I137 PolarHBondContact O-N 2.89Å; M134-I137 PolarHBondContact O-N 3.03Å; M134-I137 HydrophobicContact SD-CD1 4.21Å; E135-I137 PolarHBondContact O-N 2.86Å; I137-V141 WeakPolarHBondContact O-CB 3.46Å; I137-V141 PolarHBondContact O-N 3.29Å; I137-V141 VanDerWaalsContact O-N 3.17Å; I137-L142 HydrophobicContact CG2-CD1 3.92Å; I137-L142 HydrophobicContact CG2-CG 3.93Å; I137-L142 WeakPolarHBondContact O-CG 3.38Å; I137-L142 PolarHBondContact O-N 2.66Å; I137-L156 HydrophobicContact CD1-CD2 3.94Å; I137-L156 HydrophobicContact CG2-CD2 3.99Å; I137-V192 HydrophobicContact CG2-CG1 4.14Å |
| 138 | I | 90.2 | Very high | 91.2 | Very high | 14 Ų | 14 | 39.5 Ų | 39.5 | 7% | 0.072 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -67 | -48.1 | -171.7 | -70.3 | 170.6 | 0 | 0 | 0 | 111.3 | W2 R45 M134 E135 Y136 L142 Y189 V192 | W2-I138 HydrophobicContact CH2-CG2 4.16Å; R45-I138 VanDerWaalsContact NH1-CD1 3.33Å; R45-I138 VanDerWaalsContact NH1-CG1 3.27Å; M134-I138 WeakPolarHBondContact O-CG1 3.3Å; M134-I138 PolarHBondContact O-N 2.89Å; E135-I138 PolarHBondContact O-N 3.01Å; Y136-I138 PolarHBondContact O-N 3.22Å; I138-L142 HydrophobicContact CG1-CD1 4.5Å; I138-Y189 HydrophobicContact CD1-CD1 3.65Å; I138-Y189 HydrophobicContact CD1-CE1 4.1Å; I138-V192 HydrophobicContact CD1-CG2 3.94Å; I138-V192 HydrophobicContact CG1-CG2 4.15Å |
| 139 | Q | 88.8 | Confident | 91.5 | Very high | 23 Ų | 23 | 42 Ų | 42 | 11% | 0.107 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -85.7 | -25.7 | -169.4 | -64.9 | -167.3 | 38.1 | 0 | 0 | 112.8 | M1 W2 L77 E135 | M1-Q139 HydrophobicContact SD-CB 3.65Å; M1-Q139 HydrophobicContact SD-CG 4.19Å; M1-Q139 PolarHBondContact SD-OE1 3.01Å; W2-Q139 HydrophobicContact CH2-CG 3.83Å; W2-Q139 HydrophobicContact CZ2-CG 3.88Å; L77-Q139 HydrophobicContact CD1-CB 3.97Å; L77-Q139 HydrophobicContact CD1-CG 4.23Å; E135-Q139 VanDerWaalsContact O-CB 3.22Å; E135-Q139 WeakPolarHBondContact O-CB 3.37Å; E135-Q139 WeakPolarHBondContact O-CG 3.43Å; E135-Q139 PolarHBondContact O-N 3.4Å; E135-Q139 PolarHBondContact OE2-NE2 3.34Å |
| 140 | R | 90.7 | Very high | 91.4 | Very high | 95 Ų | 95 | 47.7 Ų | 47.7 | 36% | 0.358 | 21% | 0.214 | S | C | . | . | I | π-helix | trans | -112.8 | -64.4 | -177.4 | -50.4 | -62.5 | -175.3 | 159.3 | 1.7 | 111.7 | M1 Y136 Y143 E144 | M1-R140 VanDerWaalsContact CE-CZ 3.41Å; Y136-R140 HydrophobicContact CD2-CB 4.06Å; Y136-R140 HydrophobicContact CD2-CG 3.83Å; Y136-R140 HydrophobicContact CE2-CB 3.95Å; Y136-R140 HydrophobicContact CE2-CG 4.02Å; Y136-R140 WeakPolarHBondContact O-CA 3.43Å; Y136-R140 VanDerWaalsContact O-CB 3.24Å; Y136-R140 WeakPolarHBondContact O-CB 3.44Å; Y136-R140 PolarHBondContact O-N 3.15Å; R140-Y143 PolarHBondContact O-N 3.2Å; R140-E144 WeakPolarHBondContact O-CB 3.1Å; R140-E144 VanDerWaalsContact O-CG 3.31Å; R140-E144 WeakPolarHBondContact O-CG 3.49Å; R140-E144 PolarHBondContact O-N 3.02Å |
| 141 | V | 92.9 | Very high | 91.3 | Very high | 15 Ų | 15 | 50 Ų | 50 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -63.3 | -51.6 | -169.6 | -176.8 | 0 | 0 | 0 | 0 | 112.3 | F94 P103 Y136 I137 Y143 E144 K145 | F94-V141 HydrophobicContact CD2-CG2 4.45Å; F94-V141 HydrophobicContact CE1-CG1 4.27Å; F94-V141 HydrophobicContact CE2-CG1 4.37Å; F94-V141 HydrophobicContact CE2-CG2 4.07Å; F94-V141 HydrophobicContact CZ-CG1 4.21Å; P103-V141 HydrophobicContact CB-CG1 3.94Å; P103-V141 HydrophobicContact CG-CG1 3.92Å; Y136-V141 HydrophobicContact CD1-CG2 3.86Å; Y136-V141 HydrophobicContact CE1-CG2 3.42Å; Y136-V141 VanDerWaalsContact CE1-CG2 3.42Å; Y136-V141 PolarHBondContact O-N 3.15Å; I137-V141 WeakPolarHBondContact O-CB 3.46Å; I137-V141 PolarHBondContact O-N 3.29Å; I137-V141 VanDerWaalsContact O-N 3.17Å; V141-Y143 VanDerWaalsContact C-N 3.32Å; V141-Y143 PolarHBondContact O-N 3.21Å; V141-E144 PolarHBondContact O-N 3.4Å; V141-K145 WeakPolarHBondContact O-CG 3.32Å; V141-K145 PolarHBondContact O-N 3.26Å |
| 142 | L | 91.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.2 | -35 | -178.2 | -66.7 | 179.9 | 0 | 0 | 0 | 111.9 | P103 I137 I138 K145 S146 I153 D154 Q155 V192 | P103-L142 HydrophobicContact CG-CD2 3.78Å; I137-L142 HydrophobicContact CG2-CD1 3.92Å; I137-L142 HydrophobicContact CG2-CG 3.93Å; I137-L142 WeakPolarHBondContact O-CG 3.38Å; I137-L142 PolarHBondContact O-N 2.66Å; I138-L142 HydrophobicContact CG1-CD1 4.5Å; L142-K145 PolarHBondContact O-N 2.97Å; L142-S146 WeakPolarHBondContact O-CB 3.48Å; L142-S146 PolarHBondContact O-N 3.04Å; L142-S146 PolarHBondContact O-OG 3.44Å; L142-I153 WeakPolarHBondContact CB-O 3.15Å; L142-I153 HydrophobicContact CD2-CG2 4.18Å; L142-I153 VanDerWaalsContact O-O 3.1Å; L142-D154 WeakPolarHBondContact CD1-O 3.34Å; L142-Q155 VanDerWaalsContact CD2-O 3.28Å; L142-Q155 WeakPolarHBondContact CD2-O 3.49Å; L142-V192 HydrophobicContact CD1-CG1 4.48Å |
| 143 | Y | 88.1 | Confident | 91.3 | Very high | 30 Ų | 30 | 48.4 Ų | 48.4 | 12% | 0.118 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.1 | -48.2 | 175 | 176.2 | -117.4 | 0 | 0 | 0 | 112.4 | Y6 R140 V141 K145 S146 K147 | Y6-Y143 AromaticContact CD1-CD2 3.13Å; Y6-Y143 HydrophobicContact CD1-CD2 3.13Å; Y6-Y143 AromaticContact CD1-CE2 3.2Å; Y6-Y143 HydrophobicContact CD1-CE2 3.2Å; Y6-Y143 AromaticContact CD1-CG 3.86Å; Y6-Y143 HydrophobicContact CD1-CG 3.86Å; Y6-Y143 AromaticContact CD1-CZ 3.96Å; Y6-Y143 AromaticContact CD2-CE2 3.84Å; Y6-Y143 HydrophobicContact CD2-CE2 3.84Å; Y6-Y143 AromaticContact CE1-CD1 3.77Å; Y6-Y143 HydrophobicContact CE1-CD1 3.77Å; Y6-Y143 AromaticContact CE1-CD2 3.12Å; Y6-Y143 HydrophobicContact CE1-CD2 3.12Å; Y6-Y143 AromaticContact CE1-CE1 3.75Å; Y6-Y143 HydrophobicContact CE1-CE1 3.75Å; Y6-Y143 AromaticContact CE1-CE2 3.11Å; Y6-Y143 HydrophobicContact CE1-CE2 3.11Å; Y6-Y143 AromaticContact CE1-CG 3.42Å; Y6-Y143 HydrophobicContact CE1-CG 3.42Å; Y6-Y143 VanDerWaalsContact CE1-CG 3.42Å; Y6-Y143 AromaticContact CE1-CZ 3.37Å; Y6-Y143 AromaticContact CE2-CE2 3.74Å; Y6-Y143 HydrophobicContact CE2-CE2 3.74Å; Y6-Y143 AromaticContact CE2-CZ 3.64Å; Y6-Y143 WeakPolarHBondContact CE2-OH 3.46Å; Y6-Y143 AromaticContact CG-CD2 3.92Å; Y6-Y143 HydrophobicContact CG-CD2 3.92Å; Y6-Y143 AromaticContact CG-CE2 3.57Å; Y6-Y143 HydrophobicContact CG-CE2 3.57Å; Y6-Y143 AromaticContact CZ-CD2 3.89Å; Y6-Y143 AromaticContact CZ-CE1 3.65Å; Y6-Y143 AromaticContact CZ-CE2 3.37Å; Y6-Y143 AromaticContact CZ-CZ 3.17Å; Y6-Y143 WeakPolarHBondContact OH-CE1 3.47Å; Y6-Y143 PolarHBondContact OH-OH 3.3Å; R140-Y143 PolarHBondContact O-N 3.2Å; V141-Y143 VanDerWaalsContact C-N 3.32Å; V141-Y143 PolarHBondContact O-N 3.21Å; Y143-K145 VanDerWaalsContact C-N 3.29Å; Y143-K145 PolarHBondContact O-N 3.34Å; Y143-S146 WeakPolarHBondContact O-CB 3.43Å; Y143-S146 PolarHBondContact O-N 3.16Å; Y143-S146 VanDerWaalsContact O-N 3.14Å; Y143-K147 HydrophobicContact CD1-CD 4.39Å; Y143-K147 HydrophobicContact CE1-CD 3.83Å; Y143-K147 VanDerWaalsContact CE1-NZ 3.31Å; Y143-K147 HydrophobicContact CE2-CD 4.31Å; Y143-K147 HydrophobicContact CE2-CG 4.35Å; Y143-K147 VanDerWaalsContact CZ-NZ 3.25Å; Y143-K147 PolarHBondContact O-N 3.41Å; Y143-K147 WeakPolarHBondContact OH-CE 3.42Å; Y143-K147 PolarHBondContact OH-NZ 2.74Å |
| 144 | E | 90.6 | Very high | 91.2 | Very high | 116 Ų | 116 | 47.4 Ų | 47.4 | 54% | 0.542 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.3 | -42.8 | 176.7 | -75.5 | 173.7 | -177.6 | 0 | 0 | 111.3 | R140 V141 S146 K147 E148 | R140-E144 WeakPolarHBondContact O-CB 3.1Å; R140-E144 VanDerWaalsContact O-CG 3.31Å; R140-E144 WeakPolarHBondContact O-CG 3.49Å; R140-E144 PolarHBondContact O-N 3.02Å; V141-E144 PolarHBondContact O-N 3.4Å; E144-S146 VanDerWaalsContact C-N 3.31Å; E144-S146 PolarHBondContact O-N 3.08Å; E144-K147 WeakPolarHBondContact O-CB 3.28Å; E144-K147 PolarHBondContact O-N 2.76Å; E144-E148 WeakPolarHBondContact O-CB 3.25Å; E144-E148 PolarHBondContact O-N 3.32Å |
| 145 | K | 92 | Very high | 91.2 | Very high | 35 Ų | 35 | 48 Ų | 48 | 15% | 0.152 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.1 | -36.8 | 175.9 | -73.7 | -74.5 | 162 | -162.4 | 0 | 112.8 | E97 P103 V141 L142 Y143 K147 E148 H149 I153 | E97-K145 IonicContact OE2-NZ 2.74Å; E97-K145 PolarHBondContact OE2-NZ 3.17Å; P103-K145 HydrophobicContact CB-CG 4.3Å; P103-K145 HydrophobicContact CG-CG 4.33Å; V141-K145 WeakPolarHBondContact O-CG 3.32Å; V141-K145 PolarHBondContact O-N 3.26Å; L142-K145 PolarHBondContact O-N 2.97Å; Y143-K145 VanDerWaalsContact C-N 3.29Å; Y143-K145 PolarHBondContact O-N 3.34Å; K145-K147 VanDerWaalsContact C-N 3.33Å; K145-K147 PolarHBondContact O-N 3.27Å; K145-E148 WeakPolarHBondContact CE-OE2 3.13Å; K145-E148 IonicContact NZ-OE1 3.59Å; K145-E148 IonicContact NZ-OE2 2.71Å; K145-E148 PolarHBondContact NZ-OE2 2.99Å; K145-E148 PolarHBondContact O-N 2.91Å; K145-H149 WeakPolarHBondContact O-CB 3.22Å; K145-H149 PolarHBondContact O-CD2 3.39Å; K145-H149 VanDerWaalsContact O-CD2 3.27Å; K145-H149 PolarHBondContact O-N 2.85Å; K145-I153 HydrophobicContact CB-CB 4.04Å; K145-I153 HydrophobicContact CB-CG1 4.23Å; K145-I153 HydrophobicContact CB-CG2 3.82Å |
| 146 | S | 90.9 | Very high | 91.3 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.9 | -39.5 | 175.7 | -61.2 | 0 | 0 | 0 | 0 | 112.5 | R41 L142 Y143 E144 N150 R151 I153 | R41-S146 PolarHBondContact NH1-OG 3.43Å; R41-S146 PolarHBondContact NH2-OG 2.79Å; L142-S146 WeakPolarHBondContact O-CB 3.48Å; L142-S146 PolarHBondContact O-N 3.04Å; L142-S146 PolarHBondContact O-OG 3.44Å; Y143-S146 WeakPolarHBondContact O-CB 3.43Å; Y143-S146 PolarHBondContact O-N 3.16Å; Y143-S146 VanDerWaalsContact O-N 3.14Å; E144-S146 VanDerWaalsContact C-N 3.31Å; E144-S146 PolarHBondContact O-N 3.08Å; S146-N150 WeakPolarHBondContact O-CA 3.43Å; S146-N150 PolarHBondContact O-N 3.46Å; S146-R151 CarbonylContact C-O 3.59Å; S146-R151 WeakPolarHBondContact CA-O 3.45Å; S146-R151 WeakPolarHBondContact CB-O 3.48Å; S146-R151 PolarHBondContact O-N 3.16Å; S146-I153 WeakPolarHBondContact OG-CA 3.38Å; S146-I153 WeakPolarHBondContact OG-CB 3.41Å; S146-I153 PolarHBondContact OG-N 3.24Å; S146-I153 PolarHBondContact OG-O 3.06Å |
| 147 | K | 89 | Confident | 91.6 | Very high | 131 Ų | 131 | 44.2 Ų | 44.2 | 57% | 0.57 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -65.2 | -46.5 | 173.7 | -77 | -177 | 157 | 173.7 | 0 | 112.1 | Y143 E144 K145 H149 N150 | Y143-K147 HydrophobicContact CD1-CD 4.39Å; Y143-K147 HydrophobicContact CE1-CD 3.83Å; Y143-K147 VanDerWaalsContact CE1-NZ 3.31Å; Y143-K147 HydrophobicContact CE2-CD 4.31Å; Y143-K147 HydrophobicContact CE2-CG 4.35Å; Y143-K147 VanDerWaalsContact CZ-NZ 3.25Å; Y143-K147 PolarHBondContact O-N 3.41Å; Y143-K147 WeakPolarHBondContact OH-CE 3.42Å; Y143-K147 PolarHBondContact OH-NZ 2.74Å; E144-K147 WeakPolarHBondContact O-CB 3.28Å; E144-K147 PolarHBondContact O-N 2.76Å; K145-K147 VanDerWaalsContact C-N 3.33Å; K145-K147 PolarHBondContact O-N 3.27Å; K147-H149 VanDerWaalsContact C-N 3.32Å; K147-H149 PolarHBondContact O-N 3.07Å; K147-N150 PolarHBondContact O-N 2.76Å |
| 148 | E | 92.6 | Very high | 91.9 | Very high | 115 Ų | 115 | 45.5 Ų | 45.5 | 54% | 0.537 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59 | -43.9 | 179.5 | -176.4 | -178.1 | 169.4 | 0 | 0 | 111.7 | E144 K145 | E144-E148 WeakPolarHBondContact O-CB 3.25Å; E144-E148 PolarHBondContact O-N 3.32Å; K145-E148 WeakPolarHBondContact CE-OE2 3.13Å; K145-E148 IonicContact NZ-OE1 3.59Å; K145-E148 IonicContact NZ-OE2 2.71Å; K145-E148 PolarHBondContact NZ-OE2 2.99Å; K145-E148 PolarHBondContact O-N 2.91Å |
| 149 | H | 91.4 | Very high | 92.3 | Very high | 62 Ų | 62 | 44.8 Ų | 44.8 | 29% | 0.287 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -92.1 | -0.9 | -177.3 | -70.4 | -75.9 | 0 | 0 | 0 | 114.1 | E97 G101 K145 K147 R151 I153 | E97-H149 IonicContact OE1-CE1 2.64Å; E97-H149 IonicContact OE1-NE2 3.42Å; E97-H149 IonicContact OE2-CE1 3.38Å; E97-H149 IonicContact OE2-NE2 2.79Å; E97-H149 PolarHBondContact OE2-NE2 2.63Å; G101-H149 WeakPolarHBondContact CA-NE2 3.09Å; K145-H149 WeakPolarHBondContact O-CB 3.22Å; K145-H149 PolarHBondContact O-CD2 3.39Å; K145-H149 VanDerWaalsContact O-CD2 3.27Å; K145-H149 PolarHBondContact O-N 2.85Å; K147-H149 VanDerWaalsContact C-N 3.32Å; K147-H149 PolarHBondContact O-N 3.07Å; H149-R151 HydrophobicContact CB-CG 4.1Å; H149-R151 PolarHBondContact O-N 3.24Å; H149-I153 HydrophobicContact CB-CG1 4.39Å |
| 150 | N | 89.5 | Confident | 92.7 | Very high | 123 Ų | 123 | 45.6 Ų | 45.6 | 66% | 0.658 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 42.1 | -176.5 | -166.3 | 53.7 | 0 | 0 | 0 | 113.8 | L8 S146 K147 | L8-N150 VanDerWaalsContact CD2-OD1 3.31Å; L8-N150 WeakPolarHBondContact CD2-OD1 3.32Å; S146-N150 WeakPolarHBondContact O-CA 3.43Å; S146-N150 PolarHBondContact O-N 3.46Å; K147-N150 PolarHBondContact O-N 2.76Å |
| 151 | R | 89.7 | Confident | 93 | Very high | 86 Ų | 86 | 41.4 Ų | 41.4 | 33% | 0.325 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -159.2 | 174.5 | 176.6 | 66.4 | 178.7 | 174.5 | 90.4 | -4.3 | 111.3 | E100 S146 H149 I153 | E100-R151 PolarHBondContact O-NH2 3.49Å; S146-R151 CarbonylContact C-O 3.59Å; S146-R151 WeakPolarHBondContact CA-O 3.45Å; S146-R151 WeakPolarHBondContact CB-O 3.48Å; S146-R151 PolarHBondContact O-N 3.16Å; H149-R151 HydrophobicContact CB-CG 4.1Å; H149-R151 PolarHBondContact O-N 3.24Å; R151-I153 HydrophobicContact CG-CD1 4.47Å; R151-I153 VanDerWaalsContact CZ-CD1 3.45Å; R151-I153 PolarHBondContact O-N 2.86Å |
| 152 | C | 90.6 | Very high | 93.2 | Very high | 11 Ų | 11 | 41.3 Ų | 41.3 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | trans | -69.7 | 113.9 | 176.4 | -167.6 | 0 | 0 | 0 | 0 | 111.9 | L8 G9 L10 R41 | L8-C152 PolarHBondContact O-N 2.98Å; G9-C152 WeakPolarHBondContact O-CB 3.44Å; L10-C152 HydrophobicContact CB-CB 4.28Å; R41-C152 VanDerWaalsContact CZ-SG 3.53Å | ||
| 153 | I | 92.2 | Very high | 93.5 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | trans | -115.3 | 105 | 163.1 | -54.5 | -67.4 | 0 | 0 | 0 | 107.1 | R41 E100 L142 K145 S146 H149 R151 | R41-I153 PolarHBondContact NH1-O 3.37Å; E100-I153 WeakPolarHBondContact O-CD1 3.17Å; L142-I153 WeakPolarHBondContact CB-O 3.15Å; L142-I153 HydrophobicContact CD2-CG2 4.18Å; L142-I153 VanDerWaalsContact O-O 3.1Å; K145-I153 HydrophobicContact CB-CB 4.04Å; K145-I153 HydrophobicContact CB-CG1 4.23Å; K145-I153 HydrophobicContact CB-CG2 3.82Å; S146-I153 WeakPolarHBondContact OG-CA 3.38Å; S146-I153 WeakPolarHBondContact OG-CB 3.41Å; S146-I153 PolarHBondContact OG-N 3.24Å; S146-I153 PolarHBondContact OG-O 3.06Å; H149-I153 HydrophobicContact CB-CG1 4.39Å; R151-I153 HydrophobicContact CG-CD1 4.47Å; R151-I153 VanDerWaalsContact CZ-CD1 3.45Å; R151-I153 PolarHBondContact O-N 2.86Å | ||
| 154 | D | 91.5 | Very high | 93.8 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | trans | -125.1 | 8.3 | -176.8 | 62.9 | -12.5 | 0 | 0 | 0 | 113 | R41 R48 L142 | R41-D154 HydrophobicContact CG-CB 4.33Å; R48-D154 IonicContact CZ-OD2 2.98Å; R48-D154 IonicContact NH1-OD1 3.98Å; R48-D154 IonicContact NH1-OD2 2.68Å; R48-D154 PolarHBondContact NH1-OD2 3.23Å; R48-D154 IonicContact NH2-OD2 3.39Å; L142-D154 WeakPolarHBondContact CD1-O 3.34Å | ||
| 155 | Q | 94.4 | Very high | 94.1 | Very high | 31 Ų | 31 | 45.4 Ų | 45.4 | 15% | 0.145 | 21% | 0.213 | C | C | . | . | trans | -136.5 | 162.7 | 178.9 | -53.2 | -168.5 | -49.7 | 0 | 0 | 112.3 | C102 L142 E191 V192 R194 | C102-Q155 WeakPolarHBondContact CB-O 3.34Å; L142-Q155 VanDerWaalsContact CD2-O 3.28Å; L142-Q155 WeakPolarHBondContact CD2-O 3.49Å; Q155-E191 WeakPolarHBondContact CG-O 3.49Å; Q155-E191 PolarHBondContact NE2-O 3.39Å; Q155-E191 PolarHBondContact NE2-OE2 3.44Å; Q155-V192 CarbonylContact C-O 3.54Å; Q155-V192 WeakPolarHBondContact CA-O 3.45Å; Q155-V192 WeakPolarHBondContact CB-O 3.37Å; Q155-R194 HydrophobicContact CB-CB 3.68Å | ||
| 156 | L | 96.9 | Very high | 94 | Very high | 14 Ų | 14 | 45.9 Ų | 45.9 | 7% | 0.073 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 157.7 | 176.9 | 68.7 | 83.9 | 0 | 0 | 0 | 112.7 | F94 P103 I137 L158 V192 L193 R194 | F94-L156 HydrophobicContact CZ-CD2 4.44Å; P103-L156 HydrophobicContact CG-CB 4.12Å; I137-L156 HydrophobicContact CD1-CD2 3.94Å; I137-L156 HydrophobicContact CG2-CD2 3.99Å; L156-L158 HydrophobicContact CD1-CB 4.08Å; L156-V192 HydrophobicContact CD2-CG1 3.93Å; L156-V192 HydrophobicContact CG-CG1 4.35Å; L156-V192 PolarHBondContact N-O 3.05Å; L156-L193 HydrophobicContact CD1-CD1 4.15Å; L156-R194 VanDerWaalsContact O-CB 3.31Å; L156-R194 WeakPolarHBondContact O-CB 3.03Å; L156-R194 PolarHBondContact O-N 3.18Å |
| 157 | T | 98.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 129.5 | 170.6 | -70.7 | 0 | 0 | 0 | 0 | 110 | D98 P103 L104 Y105 R194 I195 Y197 | D98-T157 WeakPolarHBondContact OD2-CB 3.34Å; D98-T157 PolarHBondContact OD2-OG1 3.2Å; P103-T157 PolarHBondContact O-N 3.49Å; L104-T157 WeakPolarHBondContact CA-O 3.37Å; L104-T157 HydrophobicContact CD1-CG2 3.61Å; Y105-T157 PolarHBondContact N-O 3.29Å; T157-R194 PolarHBondContact OG1-NH1 3.39Å; T157-I195 HydrophobicContact CG2-CG2 3.74Å; T157-Y197 HydrophobicContact CG2-CD2 4.1Å; T157-Y197 HydrophobicContact CG2-CE2 4Å |
| 158 | L | 98.2 | Very high | 94 | Very high | 30 Ų | 30 | 47.1 Ų | 47.1 | 16% | 0.157 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131.3 | -176.5 | 179 | 60.5 | 0 | 0 | 0 | 110.6 | Y105 A107 L156 L160 L193 I195 C196 Y197 | Y105-L158 HydrophobicContact CD1-CD1 3.65Å; Y105-L158 HydrophobicContact CG-CD1 4.44Å; Y105-L158 CarbonylContact O-C 3.47Å; Y105-L158 WeakPolarHBondContact O-CA 3.35Å; A107-L158 HydrophobicContact CB-CD1 4.49Å; L156-L158 HydrophobicContact CD1-CB 4.08Å; L158-L160 HydrophobicContact CD1-CD2 3.87Å; L158-L160 HydrophobicContact CD2-CD1 4.4Å; L158-L160 HydrophobicContact CD2-CD2 3.86Å; L158-L160 HydrophobicContact CD2-CG 4.02Å; L158-L160 HydrophobicContact CG-CD2 3.88Å; L158-L160 HydrophobicContact CG-CG 4.02Å; L158-L193 HydrophobicContact CB-CD1 3.78Å; L158-L193 HydrophobicContact CD2-CD1 4.32Å; L158-I195 PolarHBondContact N-O 3.06Å; L158-C196 HydrophobicContact CB-CB 4.22Å; L158-C196 HydrophobicContact CD2-CB 4.27Å; L158-C196 CarbonylContact O-C 3.52Å; L158-C196 WeakPolarHBondContact O-CA 3.36Å; L158-Y197 PolarHBondContact O-N 3.22Å |
| 159 | I | 98.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 116.8 | 164 | -66.3 | 174.6 | 0 | 0 | 0 | 108.2 | L104 Y105 A107 Y197 I199 L235 I239 L244 Y248 | L104-I159 HydrophobicContact CD1-CD1 3.78Å; L104-I159 HydrophobicContact CD1-CG1 3.89Å; L104-I159 HydrophobicContact CD2-CD1 4.02Å; L104-I159 HydrophobicContact CG-CD1 4.29Å; Y105-I159 PolarHBondContact O-N 3.02Å; A107-I159 PolarHBondContact N-O 3.5Å; I159-Y197 CarbonylContact C-O 3.2Å; I159-Y197 WeakPolarHBondContact CA-O 3.36Å; I159-I199 HydrophobicContact CG2-CD1 3.77Å; I159-I199 HydrophobicContact CG2-CG1 4.1Å; I159-L235 HydrophobicContact CD1-CD1 3.99Å; I159-L235 HydrophobicContact CD1-CD2 4.14Å; I159-L235 HydrophobicContact CG1-CD2 4.37Å; I159-I239 HydrophobicContact CD1-CD1 4.31Å; I159-L244 HydrophobicContact CD1-CD1 3.91Å; I159-Y248 HydrophobicContact CG2-CE2 4.49Å |
| 160 | L | 97.6 | Very high | 93.6 | Very high | 39 Ų | 39 | 41.4 Ų | 41.4 | 20% | 0.204 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 107.8 | 169.8 | -64.1 | -174.1 | 0 | 0 | 0 | 109.3 | A107 V109 L158 M162 Y197 V198 I199 | A107-L160 HydrophobicContact CB-CD2 3.82Å; V109-L160 HydrophobicContact CG2-CD2 4.03Å; L158-L160 HydrophobicContact CD1-CD2 3.87Å; L158-L160 HydrophobicContact CD2-CD1 4.4Å; L158-L160 HydrophobicContact CD2-CD2 3.86Å; L158-L160 HydrophobicContact CD2-CG 4.02Å; L158-L160 HydrophobicContact CG-CD2 3.88Å; L158-L160 HydrophobicContact CG-CG 4.02Å; L160-M162 HydrophobicContact CB-SD 4.26Å; L160-M162 PolarHBondContact O-N 3.36Å; L160-Y197 PolarHBondContact N-O 2.71Å; L160-V198 HydrophobicContact CB-CG2 4.35Å; L160-V198 HydrophobicContact CD1-CG2 4.33Å; L160-I199 PolarHBondContact O-N 3.05Å |
| 161 | D | 97.4 | Very high | 93.5 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 4% | 0.043 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 106.7 | 172.3 | -179.3 | 12.3 | 0 | 0 | 0 | 110.3 | A107 P108 V109 G110 K163 I199 N200 Y248 | A107-D161 PolarHBondContact O-N 3.14Å; P108-D161 CarbonylContact C-O 3.56Å; P108-D161 HydrophobicContact CB-CB 4.46Å; V109-D161 PolarHBondContact N-O 3.35Å; G110-D161 PolarHBondContact N-O 3.41Å; D161-K163 VanDerWaalsContact C-N 3.3Å; D161-K163 WeakPolarHBondContact OD1-CB 3.49Å; D161-K163 PolarHBondContact OD1-N 2.99Å; D161-I199 HydrophobicContact CB-CD1 4.08Å; D161-I199 HydrophobicContact CB-CG1 3.95Å; D161-N200 WeakPolarHBondContact OD1-CB 3.36Å; D161-N200 PolarHBondContact OD1-ND2 2.93Å; D161-Y248 HydrophobicContact CB-CE1 3.99Å |
| 162 | M | 97.2 | Very high | 92.9 | Very high | 13 Ų | 13 | 38.2 Ų | 38.2 | 6% | 0.064 | 19% | 0.194 | C | C | . | . | trans | -91 | 10 | -177.8 | -56.8 | -52.8 | -98.5 | 0 | 0 | 112.8 | V109 L160 H164 L165 V198 I199 N200 F205 | V109-M162 HydrophobicContact CB-SD 3.76Å; V109-M162 HydrophobicContact CG1-CE 4.33Å; V109-M162 HydrophobicContact CG1-SD 4.13Å; V109-M162 HydrophobicContact CG2-SD 4.09Å; L160-M162 HydrophobicContact CB-SD 4.26Å; L160-M162 PolarHBondContact O-N 3.36Å; M162-H164 PolarHBondContact O-N 3.48Å; M162-L165 HydrophobicContact CB-CB 4.18Å; M162-L165 HydrophobicContact CB-CD2 4.43Å; M162-L165 HydrophobicContact CE-CD1 3.71Å; M162-L165 HydrophobicContact CE-CD2 3.71Å; M162-L165 HydrophobicContact CE-CG 4.24Å; M162-L165 WeakPolarHBondContact O-CB 3.22Å; M162-L165 PolarHBondContact O-N 3.49Å; M162-V198 HydrophobicContact CG-CG1 3.46Å; M162-V198 VanDerWaalsContact CG-CG1 3.46Å; M162-I199 PolarHBondContact N-O 3.41Å; M162-N200 CarbonylContact C-O 3.55Å; M162-F205 HydrophobicContact CE-CD2 3.66Å; M162-F205 HydrophobicContact CE-CE2 3.77Å; M162-F205 HydrophobicContact CG-CD2 4.19Å; M162-F205 HydrophobicContact CG-CE2 4.41Å | ||
| 163 | K | 96.4 | Very high | 92.4 | Very high | 108 Ų | 108 | 40.9 Ų | 40.9 | 47% | 0.47 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 127.6 | 173.1 | -168 | -179.9 | 179.7 | 176.2 | 0 | 109.8 | G110 D161 L165 N200 | G110-K163 VanDerWaalsContact CA-O 3.24Å; G110-K163 WeakPolarHBondContact CA-O 3.46Å; D161-K163 VanDerWaalsContact C-N 3.3Å; D161-K163 WeakPolarHBondContact OD1-CB 3.49Å; D161-K163 PolarHBondContact OD1-N 2.99Å; K163-L165 VanDerWaalsContact C-N 3.34Å; K163-N200 HydrophobicContact CB-CB 3.83Å |
| 164 | H | 96.1 | Very high | 92.1 | Very high | 113 Ų | 113 | 41.7 Ų | 41.7 | 52% | 0.523 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 7.7 | -172.8 | -45.6 | -72 | 0 | 0 | 0 | 116.1 | G110 M162 S166 H169 | G110-H164 CarbonylContact O-C 3.46Å; G110-H164 WeakPolarHBondContact O-CB 3.39Å; M162-H164 PolarHBondContact O-N 3.48Å; H164-S166 PolarHBondContact O-N 3.2Å; H164-H169 PolarHBondContact O-CE1 2.97Å |
| 165 | L | 95.2 | Very high | 91.6 | Very high | 12 Ų | 12 | 41.8 Ų | 41.8 | 6% | 0.063 | 22% | 0.216 | C | C | . | . | trans | -57.6 | 133.2 | 170.2 | -175.4 | 81.4 | 0 | 0 | 0 | 110.3 | V109 M162 K163 H169 P202 I204 F205 I208 | V109-L165 HydrophobicContact CG1-CD1 4.5Å; M162-L165 HydrophobicContact CB-CB 4.18Å; M162-L165 HydrophobicContact CB-CD2 4.43Å; M162-L165 HydrophobicContact CE-CD1 3.71Å; M162-L165 HydrophobicContact CE-CD2 3.71Å; M162-L165 HydrophobicContact CE-CG 4.24Å; M162-L165 WeakPolarHBondContact O-CB 3.22Å; M162-L165 PolarHBondContact O-N 3.49Å; K163-L165 VanDerWaalsContact C-N 3.34Å; L165-H169 HydrophobicContact CD1-CB 4.09Å; L165-P202 HydrophobicContact CB-CG 3.75Å; L165-P202 HydrophobicContact CD2-CG 4.09Å; L165-P202 HydrophobicContact CG-CG 4.4Å; L165-I204 HydrophobicContact CD2-CG2 4.39Å; L165-F205 HydrophobicContact CD2-CB 3.95Å; L165-F205 HydrophobicContact CD2-CD2 4.05Å; L165-I208 HydrophobicContact CD1-CD1 4.09Å; L165-I208 HydrophobicContact CD2-CD1 3.87Å; L165-I208 HydrophobicContact CG-CD1 3.92Å | ||
| 166 | S | 91.7 | Very high | 90.9 | Very high | 45 Ų | 45 | 43.5 Ų | 43.5 | 32% | 0.315 | 23% | 0.23 | S | C | . | . | trans | -156 | 173.5 | -177.8 | 78.2 | 0 | 0 | 0 | 0 | 110.7 | H164 K168 H169 | H164-S166 PolarHBondContact O-N 3.2Å; S166-K168 PolarHBondContact O-N 3.35Å; S166-K168 WeakPolarHBondContact OG-CG 3.22Å; S166-K168 PolarHBondContact OG-N 3.29Å; S166-H169 PolarHBondContact N-CE1 2.89Å; S166-H169 PolarHBondContact N-ND1 3.32Å; S166-H169 VanDerWaalsContact N-ND1 3.11Å; S166-H169 WeakPolarHBondContact O-CB 3.18Å; S166-H169 PolarHBondContact O-N 3.17Å; S166-H169 PolarHBondContact O-ND1 3.38Å | ||
| 167 | L | 88.4 | Confident | 90.2 | Very high | 73 Ų | 73 | 43 Ų | 43 | 38% | 0.382 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -58.2 | -18 | 179.9 | -71.8 | 173 | 0 | 0 | 0 | 114.1 | H169 M170 I204 | L167-H169 PolarHBondContact O-N 2.88Å; L167-H169 VanDerWaalsContact O-N 3.15Å; L167-M170 WeakPolarHBondContact O-CB 3.43Å; L167-M170 PolarHBondContact O-N 3.35Å; L167-I204 HydrophobicContact CD2-CD1 3.84Å; L167-I204 HydrophobicContact CD2-CG1 4.12Å; L167-I204 HydrophobicContact CG-CD1 4.32Å; L167-I204 HydrophobicContact CG-CG1 4.36Å |
| 168 | K | 90.3 | Very high | 89.7 | Confident | 92 Ų | 92 | 44.9 Ų | 44.9 | 40% | 0.4 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -57.6 | -27.4 | 172.8 | 79.8 | -179.4 | 173.9 | 151 | 0 | 112.5 | G110 F112 P114 S166 M170 H171 | G110-K168 PolarHBondContact O-NZ 3.42Å; F112-K168 WeakPolarHBondContact O-CE 3.35Å; F112-K168 PolarHBondContact O-NZ 3.48Å; P114-K168 WeakPolarHBondContact CG-O 3.12Å; S166-K168 PolarHBondContact O-N 3.35Å; S166-K168 WeakPolarHBondContact OG-CG 3.22Å; S166-K168 PolarHBondContact OG-N 3.29Å; K168-M170 PolarHBondContact O-N 2.99Å; K168-H171 WeakPolarHBondContact O-CB 3.44Å; K168-H171 PolarHBondContact O-N 2.83Å |
| 169 | H | 91.4 | Very high | 89 | Confident | 13 Ų | 13 | 44.3 Ų | 44.3 | 6% | 0.06 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -71.4 | -16.2 | 179.7 | -58.9 | 83.8 | 0 | 0 | 0 | 112.6 | V109 G110 H164 L165 S166 L167 H171 | V109-H169 PolarHBondContact O-NE2 3.3Å; G110-H169 WeakPolarHBondContact CA-NE2 3.37Å; G110-H169 PolarHBondContact O-CE1 3.29Å; G110-H169 PolarHBondContact O-NE2 3.47Å; H164-H169 PolarHBondContact O-CE1 2.97Å; L165-H169 HydrophobicContact CD1-CB 4.09Å; S166-H169 PolarHBondContact N-CE1 2.89Å; S166-H169 PolarHBondContact N-ND1 3.32Å; S166-H169 VanDerWaalsContact N-ND1 3.11Å; S166-H169 WeakPolarHBondContact O-CB 3.18Å; S166-H169 PolarHBondContact O-N 3.17Å; S166-H169 PolarHBondContact O-ND1 3.38Å; L167-H169 PolarHBondContact O-N 2.88Å; L167-H169 VanDerWaalsContact O-N 3.15Å; H169-H171 PolarHBondContact O-N 3.04Å |
| 170 | M | 85.4 | Confident | 88.4 | Confident | 43 Ų | 43 | 47.5 Ų | 47.5 | 21% | 0.212 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -92.8 | 34.8 | 171.4 | -61.2 | -57.5 | -69.8 | 0 | 0 | 111.1 | L167 K168 I175 I208 F211 | L167-M170 WeakPolarHBondContact O-CB 3.43Å; L167-M170 PolarHBondContact O-N 3.35Å; K168-M170 PolarHBondContact O-N 2.99Å; M170-I175 HydrophobicContact CB-CD1 4.14Å; M170-I175 HydrophobicContact CE-CD1 3.76Å; M170-I175 HydrophobicContact CE-CG1 4.22Å; M170-I175 WeakPolarHBondContact O-CD1 3.37Å; M170-I208 HydrophobicContact CG-CD1 4.28Å; M170-I208 HydrophobicContact CG-CG1 3.96Å; M170-I208 HydrophobicContact SD-CB 4.46Å; M170-I208 HydrophobicContact SD-CG1 4.06Å; M170-I208 HydrophobicContact SD-CG2 3.98Å; M170-F211 HydrophobicContact CE-CB 4.1Å; M170-F211 HydrophobicContact CE-CD1 3.55Å; M170-F211 HydrophobicContact CE-CD2 4.09Å; M170-F211 HydrophobicContact CE-CE1 3.98Å; M170-F211 HydrophobicContact CE-CE2 4.47Å; M170-F211 HydrophobicContact CE-CG 3.61Å; M170-F211 HydrophobicContact CE-CZ 4.43Å |
| 171 | H | 85.6 | Confident | 88 | Confident | 61 Ų | 61 | 46.2 Ų | 46.2 | 28% | 0.282 | 24% | 0.242 | S | C | . | . | trans | -61.2 | 132 | 179.2 | -172.1 | -89.7 | 0 | 0 | 0 | 110.1 | P114 K168 H169 S173 W174 I175 | P114-H171 HydrophobicContact CB-CB 4.06Å; P114-H171 HydrophobicContact CG-CB 3.93Å; K168-H171 WeakPolarHBondContact O-CB 3.44Å; K168-H171 PolarHBondContact O-N 2.83Å; H169-H171 PolarHBondContact O-N 3.04Å; H171-S173 VanDerWaalsContact C-N 3.27Å; H171-S173 PolarHBondContact CE1-OG 3.34Å; H171-S173 VanDerWaalsContact CE1-OG 3.27Å; H171-S173 WeakPolarHBondContact ND1-CB 3.44Å; H171-S173 PolarHBondContact ND1-N 2.95Å; H171-S173 PolarHBondContact O-N 3Å; H171-W174 HydrophobicContact CB-CB 4.14Å; H171-W174 WeakPolarHBondContact O-CB 3.13Å; H171-W174 PolarHBondContact O-N 3.01Å; H171-I175 PolarHBondContact O-N 2.85Å; H171-I175 VanDerWaalsContact O-N 3.13Å | ||
| 172 | P | 77.9 | Confident | 87.5 | Confident | 82 Ų | 82 | 47.5 Ų | 47.5 | 53% | 0.532 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -36.1 | -174.5 | -27.9 | 35.2 | 0 | 0 | 0 | 114.3 | W174 P176 | P172-W174 VanDerWaalsContact C-N 3.27Å; P172-W174 PolarHBondContact O-N 3.48Å; P172-P176 WeakPolarHBondContact O-CD 3.48Å |
| 173 | S | 79.6 | Confident | 87 | Confident | 67 Ų | 67 | 50.7 Ų | 50.7 | 47% | 0.469 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -16.5 | 177 | -45.5 | 0 | 0 | 0 | 0 | 113.9 | H171 | H171-S173 VanDerWaalsContact C-N 3.27Å; H171-S173 PolarHBondContact CE1-OG 3.34Å; H171-S173 VanDerWaalsContact CE1-OG 3.27Å; H171-S173 WeakPolarHBondContact ND1-CB 3.44Å; H171-S173 PolarHBondContact ND1-N 2.95Å; H171-S173 PolarHBondContact O-N 3Å |
| 174 | W | 86 | Confident | 86.6 | Confident | 19 Ų | 19 | 46.7 Ų | 46.7 | 7% | 0.072 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -36.3 | -179.1 | 174.6 | -113.5 | 0 | 0 | 0 | 112.3 | F90 F112 P114 F117 M118 F126 H171 P172 V177 F178 | F90-W174 AromaticContact CE2-CH2 3.83Å; F90-W174 HydrophobicContact CE2-CH2 3.83Å; F90-W174 HydrophobicContact CE2-CZ2 4.21Å; F112-W174 AromaticContact CE1-CD2 3.85Å; F112-W174 HydrophobicContact CE1-CD2 3.85Å; F112-W174 AromaticContact CE1-CE2 3.56Å; F112-W174 HydrophobicContact CE1-CE3 4.15Å; F112-W174 HydrophobicContact CE1-CG 4.47Å; F112-W174 AromaticContact CE1-CH2 3.9Å; F112-W174 HydrophobicContact CE1-CH2 3.9Å; F112-W174 AromaticContact CE1-CZ2 3.59Å; F112-W174 HydrophobicContact CE1-CZ2 3.59Å; F112-W174 HydrophobicContact CE1-CZ3 4.18Å; F112-W174 HydrophobicContact CZ-CD2 4.34Å; F112-W174 HydrophobicContact CZ-CE3 4.17Å; F112-W174 AromaticContact CZ-CH2 3.84Å; F112-W174 HydrophobicContact CZ-CH2 3.84Å; F112-W174 HydrophobicContact CZ-CZ2 4.04Å; F112-W174 AromaticContact CZ-CZ3 3.93Å; F112-W174 HydrophobicContact CZ-CZ3 3.93Å; P114-W174 HydrophobicContact CB-CB 3.65Å; P114-W174 HydrophobicContact CB-CD2 4.18Å; P114-W174 HydrophobicContact CB-CG 3.65Å; F117-W174 HydrophobicContact CD1-CE3 4.49Å; F117-W174 HydrophobicContact CD1-CZ3 4.01Å; F117-W174 AromaticContact CE1-CZ3 3.98Å; F117-W174 HydrophobicContact CE1-CZ3 3.98Å; M118-W174 HydrophobicContact CG-CB 4.44Å; M118-W174 HydrophobicContact CG-CE3 4.11Å; M118-W174 HydrophobicContact SD-CE3 3.73Å; M118-W174 HydrophobicContact SD-CZ3 4.11Å; F126-W174 HydrophobicContact CD1-CH2 4.1Å; F126-W174 HydrophobicContact CD1-CZ3 4.05Å; F126-W174 AromaticContact CE1-CH2 3.46Å; F126-W174 HydrophobicContact CE1-CH2 3.46Å; F126-W174 VanDerWaalsContact CE1-CH2 3.46Å; F126-W174 HydrophobicContact CE1-CZ2 4.46Å; F126-W174 AromaticContact CE1-CZ3 3.88Å; F126-W174 HydrophobicContact CE1-CZ3 3.88Å; F126-W174 HydrophobicContact CE2-CH2 4.06Å; F126-W174 HydrophobicContact CG-CZ3 4.43Å; F126-W174 AromaticContact CZ-CH2 3.45Å; F126-W174 HydrophobicContact CZ-CH2 3.45Å; F126-W174 VanDerWaalsContact CZ-CH2 3.45Å; F126-W174 HydrophobicContact CZ-CZ2 4.41Å; F126-W174 HydrophobicContact CZ-CZ3 4.17Å; H171-W174 HydrophobicContact CB-CB 4.14Å; H171-W174 WeakPolarHBondContact O-CB 3.13Å; H171-W174 PolarHBondContact O-N 3.01Å; P172-W174 VanDerWaalsContact C-N 3.27Å; P172-W174 PolarHBondContact O-N 3.48Å; W174-V177 HydrophobicContact CE3-CB 4.34Å; W174-V177 HydrophobicContact CE3-CG1 4.33Å; W174-V177 HydrophobicContact CZ3-CG1 4.05Å; W174-V177 WeakPolarHBondContact O-CB 3.49Å; W174-V177 PolarHBondContact O-N 2.91Å; W174-V177 VanDerWaalsContact O-N 3.13Å; W174-F178 HydrophobicContact CD2-CB 4.36Å; W174-F178 HydrophobicContact CZ2-CB 4.12Å; W174-F178 AromaticContact CZ2-CD2 3.85Å; W174-F178 HydrophobicContact CZ2-CD2 3.85Å; W174-F178 HydrophobicContact CZ2-CG 4.43Å; W174-F178 WeakPolarHBondContact O-CB 3.45Å; W174-F178 PolarHBondContact O-N 3.12Å |
| 175 | I | 81.9 | Confident | 86.4 | Confident | 14 Ų | 14 | 42.5 Ų | 42.5 | 7% | 0.072 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -54.4 | -50.5 | -174.7 | -73.4 | 168.7 | 0 | 0 | 0 | 112.8 | M170 H171 V177 F178 S179 F211 F485 | M170-I175 HydrophobicContact CB-CD1 4.14Å; M170-I175 HydrophobicContact CE-CD1 3.76Å; M170-I175 HydrophobicContact CE-CG1 4.22Å; M170-I175 WeakPolarHBondContact O-CD1 3.37Å; H171-I175 PolarHBondContact O-N 2.85Å; H171-I175 VanDerWaalsContact O-N 3.13Å; I175-V177 VanDerWaalsContact C-N 3.31Å; I175-V177 PolarHBondContact O-N 3.43Å; I175-F178 PolarHBondContact O-N 3.34Å; I175-S179 WeakPolarHBondContact O-CB 3.3Å; I175-S179 PolarHBondContact O-N 3.32Å; I175-S179 PolarHBondContact O-OG 3.33Å; I175-S179 VanDerWaalsContact O-OG 3.11Å; I175-F211 HydrophobicContact CG2-CE1 3.83Å; I175-F211 HydrophobicContact CG2-CE2 4.46Å; I175-F211 HydrophobicContact CG2-CZ 3.42Å; I175-F211 VanDerWaalsContact CG2-CZ 3.42Å; I175-F485 HydrophobicContact CD1-CD2 4.24Å; I175-F485 HydrophobicContact CD1-CE2 3.58Å |
| 176 | P | 78.5 | Confident | 86 | Confident | 68 Ų | 68 | 44.2 Ų | 44.2 | 44% | 0.442 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.4 | -40 | 179.2 | -23.4 | 34 | 0 | 0 | 0 | 112.7 | P172 S179 E180 | P172-P176 WeakPolarHBondContact O-CD 3.48Å; P176-S179 PolarHBondContact O-N 3Å; P176-E180 WeakPolarHBondContact O-CB 3.33Å; P176-E180 PolarHBondContact O-N 3.27Å |
| 177 | V | 83.7 | Confident | 85.9 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.7 | -44.9 | 179.9 | 178 | 0 | 0 | 0 | 0 | 111.2 | M118 Q123 F126 W174 I175 M181 | M118-V177 HydrophobicContact CE-CG2 3.65Å; M118-V177 HydrophobicContact SD-CB 4.48Å; M118-V177 HydrophobicContact SD-CG1 4.44Å; M118-V177 HydrophobicContact SD-CG2 4.1Å; Q123-V177 HydrophobicContact CB-CG2 3.98Å; Q123-V177 HydrophobicContact CG-CB 4.26Å; Q123-V177 HydrophobicContact CG-CG1 3.97Å; Q123-V177 HydrophobicContact CG-CG2 3.72Å; F126-V177 HydrophobicContact CD1-CG1 3.45Å; F126-V177 VanDerWaalsContact CD1-CG1 3.45Å; F126-V177 HydrophobicContact CE1-CG1 4.11Å; F126-V177 HydrophobicContact CG-CG1 4.33Å; W174-V177 HydrophobicContact CE3-CB 4.34Å; W174-V177 HydrophobicContact CE3-CG1 4.33Å; W174-V177 HydrophobicContact CZ3-CG1 4.05Å; W174-V177 WeakPolarHBondContact O-CB 3.49Å; W174-V177 PolarHBondContact O-N 2.91Å; W174-V177 VanDerWaalsContact O-N 3.13Å; I175-V177 VanDerWaalsContact C-N 3.31Å; I175-V177 PolarHBondContact O-N 3.43Å; V177-M181 VanDerWaalsContact O-CB 3.3Å; V177-M181 WeakPolarHBondContact O-CB 3.38Å; V177-M181 PolarHBondContact O-N 3.3Å |
| 178 | F | 86.3 | Confident | 86.1 | Confident | 39 Ų | 39 | 41.5 Ų | 41.5 | 17% | 0.171 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.8 | -45.1 | 176.6 | -179.2 | -97 | 0 | 0 | 0 | 111.5 | W174 I175 E180 M181 M182 I212 | W174-F178 HydrophobicContact CD2-CB 4.36Å; W174-F178 HydrophobicContact CZ2-CB 4.12Å; W174-F178 AromaticContact CZ2-CD2 3.85Å; W174-F178 HydrophobicContact CZ2-CD2 3.85Å; W174-F178 HydrophobicContact CZ2-CG 4.43Å; W174-F178 WeakPolarHBondContact O-CB 3.45Å; W174-F178 PolarHBondContact O-N 3.12Å; I175-F178 PolarHBondContact O-N 3.34Å; F178-E180 PolarHBondContact O-N 2.92Å; F178-M181 HydrophobicContact CD2-CE 3.74Å; F178-M181 HydrophobicContact CE2-CE 3.68Å; F178-M181 HydrophobicContact CZ-CE 4.46Å; F178-M181 PolarHBondContact O-N 3.05Å; F178-M182 HydrophobicContact CD1-CG 4.04Å; F178-M182 HydrophobicContact CD2-CG 4.47Å; F178-M182 HydrophobicContact CE1-CE 4.42Å; F178-M182 HydrophobicContact CE1-CG 3.58Å; F178-M182 HydrophobicContact CE1-SD 4.35Å; F178-M182 HydrophobicContact CE2-CG 4.06Å; F178-M182 HydrophobicContact CE2-SD 4.09Å; F178-M182 HydrophobicContact CG-CG 4.47Å; F178-M182 HydrophobicContact CZ-CE 3.94Å; F178-M182 HydrophobicContact CZ-CG 3.6Å; F178-M182 HydrophobicContact CZ-SD 3.78Å; F178-M182 VanDerWaalsContact O-CG 3.27Å; F178-M182 WeakPolarHBondContact O-CG 3.48Å; F178-M182 PolarHBondContact O-N 3.04Å; F178-I212 HydrophobicContact CE1-CB 4.49Å; F178-I212 HydrophobicContact CE1-CD1 3.72Å; F178-I212 HydrophobicContact CE1-CG1 3.79Å; F178-I212 HydrophobicContact CE1-CG2 3.92Å; F178-I212 HydrophobicContact CZ-CD1 4.03Å; F178-I212 HydrophobicContact CZ-CG2 4.34Å |
| 179 | S | 84 | Confident | 86.3 | Confident | 17 Ų | 17 | 37.8 Ų | 37.8 | 12% | 0.119 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.3 | -47.4 | 178 | -65.2 | 0 | 0 | 0 | 0 | 111.5 | I175 P176 M181 M182 T183 | I175-S179 WeakPolarHBondContact O-CB 3.3Å; I175-S179 PolarHBondContact O-N 3.32Å; I175-S179 PolarHBondContact O-OG 3.33Å; I175-S179 VanDerWaalsContact O-OG 3.11Å; P176-S179 PolarHBondContact O-N 3Å; S179-M181 PolarHBondContact O-N 2.83Å; S179-M182 PolarHBondContact O-N 3.13Å; S179-T183 PolarHBondContact O-N 3.23Å; S179-T183 PolarHBondContact O-OG1 3.2Å; S179-T183 VanDerWaalsContact O-OG1 3.1Å |
| 180 | E | 86 | Confident | 86.4 | Confident | 68 Ų | 68 | 37.7 Ų | 37.7 | 32% | 0.318 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.5 | -43.9 | 177.9 | -171 | 175 | 144.4 | 0 | 0 | 111.8 | Q123 I127 P176 F178 M182 T183 I184 K318 | Q123-E180 PolarHBondContact NE2-OE1 2.86Å; Q123-E180 PolarHBondContact NE2-OE2 2.7Å; I127-E180 HydrophobicContact CD1-CB 4.18Å; I127-E180 HydrophobicContact CD1-CG 3.79Å; I127-E180 WeakPolarHBondContact CD1-OE1 3.32Å; P176-E180 WeakPolarHBondContact O-CB 3.33Å; P176-E180 PolarHBondContact O-N 3.27Å; F178-E180 PolarHBondContact O-N 2.92Å; E180-M182 PolarHBondContact O-N 3.07Å; E180-T183 PolarHBondContact O-N 2.92Å; E180-I184 HydrophobicContact CG-CD1 4.16Å; E180-I184 VanDerWaalsContact O-CG1 3.3Å; E180-I184 WeakPolarHBondContact O-CG1 3.44Å; E180-I184 PolarHBondContact O-N 3.42Å; E180-K318 IonicContact OE2-NZ 3.7Å; E180-K318 PolarHBondContact OE2-NZ 2.92Å |
| 181 | M | 88.5 | Confident | 86.8 | Confident | 12 Ų | 12 | 37 Ų | 37 | 6% | 0.059 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.8 | -50.6 | 172.9 | 179.8 | -149.1 | 68.6 | 0 | 0 | 110.8 | F126 R130 V177 F178 S179 T183 I184 M185 | F126-M181 HydrophobicContact CE1-CB 4.24Å; F126-M181 HydrophobicContact CE1-CG 4.13Å; F126-M181 HydrophobicContact CE1-SD 3.65Å; F126-M181 HydrophobicContact CZ-SD 3.73Å; R130-M181 HydrophobicContact CB-CG 4.23Å; R130-M181 HydrophobicContact CG-CG 4Å; R130-M181 HydrophobicContact CG-SD 3.9Å; V177-M181 VanDerWaalsContact O-CB 3.3Å; V177-M181 WeakPolarHBondContact O-CB 3.38Å; V177-M181 PolarHBondContact O-N 3.3Å; F178-M181 HydrophobicContact CD2-CE 3.74Å; F178-M181 HydrophobicContact CE2-CE 3.68Å; F178-M181 HydrophobicContact CZ-CE 4.46Å; F178-M181 PolarHBondContact O-N 3.05Å; S179-M181 PolarHBondContact O-N 2.83Å; M181-T183 PolarHBondContact O-N 3.41Å; M181-I184 PolarHBondContact O-N 2.7Å; M181-M185 HydrophobicContact CG-CG 4.29Å; M181-M185 VanDerWaalsContact O-CG 3.24Å; M181-M185 WeakPolarHBondContact O-CG 3.45Å; M181-M185 PolarHBondContact O-N 3.44Å |
| 182 | M | 87.2 | Confident | 87.2 | Confident | 35 Ų | 35 | 34.4 Ų | 34.4 | 17% | 0.172 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.3 | -41.5 | -179 | -67.2 | -62.5 | -91.1 | 0 | 0 | 112.2 | F178 S179 E180 I184 M185 E186 I212 L215 L216 | F178-M182 HydrophobicContact CD1-CG 4.04Å; F178-M182 HydrophobicContact CD2-CG 4.47Å; F178-M182 HydrophobicContact CE1-CE 4.42Å; F178-M182 HydrophobicContact CE1-CG 3.58Å; F178-M182 HydrophobicContact CE1-SD 4.35Å; F178-M182 HydrophobicContact CE2-CG 4.06Å; F178-M182 HydrophobicContact CE2-SD 4.09Å; F178-M182 HydrophobicContact CG-CG 4.47Å; F178-M182 HydrophobicContact CZ-CE 3.94Å; F178-M182 HydrophobicContact CZ-CG 3.6Å; F178-M182 HydrophobicContact CZ-SD 3.78Å; F178-M182 VanDerWaalsContact O-CG 3.27Å; F178-M182 WeakPolarHBondContact O-CG 3.48Å; F178-M182 PolarHBondContact O-N 3.04Å; S179-M182 PolarHBondContact O-N 3.13Å; E180-M182 PolarHBondContact O-N 3.07Å; M182-I184 VanDerWaalsContact C-N 3.35Å; M182-I184 PolarHBondContact O-N 3.5Å; M182-M185 PolarHBondContact O-N 3.46Å; M182-E186 PolarHBondContact O-N 3.48Å; M182-I212 HydrophobicContact CE-CG2 4.19Å; M182-L215 HydrophobicContact CB-CB 4.25Å; M182-L215 HydrophobicContact CB-CD1 4.4Å; M182-L216 HydrophobicContact CE-CD2 3.37Å; M182-L216 HydrophobicContact CE-CG 4.41Å |
| 183 | T | 86.9 | Confident | 88.1 | Confident | 80 Ų | 80 | 32 Ų | 32 | 49% | 0.491 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.7 | -44.8 | 174.6 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | S179 E180 M181 A187 | S179-T183 PolarHBondContact O-N 3.23Å; S179-T183 PolarHBondContact O-OG1 3.2Å; S179-T183 VanDerWaalsContact O-OG1 3.1Å; E180-T183 PolarHBondContact O-N 2.92Å; M181-T183 PolarHBondContact O-N 3.41Å; T183-A187 VanDerWaalsContact O-CB 3.28Å; T183-A187 WeakPolarHBondContact O-CB 3.35Å; T183-A187 PolarHBondContact O-N 3.4Å; T183-A187 VanDerWaalsContact O-N 3.1Å |
| 184 | I | 87.6 | Confident | 88.8 | Confident | 23 Ų | 23 | 31.8 Ų | 31.8 | 12% | 0.118 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 175.6 | -66.6 | 166.8 | 0 | 0 | 0 | 110.4 | W67 I127 I131 E180 M181 M182 A187 N188 | W67-I184 HydrophobicContact CH2-CG2 4.11Å; W67-I184 HydrophobicContact CZ2-CG2 3.49Å; W67-I184 VanDerWaalsContact CZ2-CG2 3.49Å; I127-I184 HydrophobicContact CD1-CD1 4.34Å; I127-I184 HydrophobicContact CG2-CD1 3.54Å; I131-I184 HydrophobicContact CG1-CG2 4.4Å; E180-I184 HydrophobicContact CG-CD1 4.16Å; E180-I184 VanDerWaalsContact O-CG1 3.3Å; E180-I184 WeakPolarHBondContact O-CG1 3.44Å; E180-I184 PolarHBondContact O-N 3.42Å; M181-I184 PolarHBondContact O-N 2.7Å; M182-I184 VanDerWaalsContact C-N 3.35Å; M182-I184 PolarHBondContact O-N 3.5Å; I184-A187 PolarHBondContact O-N 3.37Å; I184-N188 VanDerWaalsContact O-CB 3.29Å; I184-N188 WeakPolarHBondContact O-CB 3.28Å; I184-N188 PolarHBondContact O-N 3.28Å; I184-N188 PolarHBondContact O-ND2 2.9Å |
| 185 | M | 91.3 | Very high | 89.3 | Confident | 25 Ų | 25 | 32.1 Ų | 32.1 | 12% | 0.123 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.8 | -48 | -178.5 | -64.6 | -56.4 | 99.2 | 0 | 0 | 112.2 | R130 I131 M134 M181 M182 A187 Y189 | R130-M185 HydrophobicContact CB-CE 4.27Å; I131-M185 HydrophobicContact CG1-CE 4.49Å; M134-M185 HydrophobicContact CG-CE 4.31Å; M134-M185 HydrophobicContact CG-SD 3.41Å; M134-M185 WeakPolarHBondContact CG-SD 3.49Å; M134-M185 HydrophobicContact SD-SD 4.12Å; M181-M185 HydrophobicContact CG-CG 4.29Å; M181-M185 VanDerWaalsContact O-CG 3.24Å; M181-M185 WeakPolarHBondContact O-CG 3.45Å; M181-M185 PolarHBondContact O-N 3.44Å; M182-M185 PolarHBondContact O-N 3.46Å; M185-A187 VanDerWaalsContact C-N 3.35Å; M185-A187 PolarHBondContact O-N 3.22Å; M185-Y189 HydrophobicContact CE-CD2 3.92Å; M185-Y189 HydrophobicContact CE-CE2 3.91Å; M185-Y189 WeakPolarHBondContact O-CA 3.5Å; M185-Y189 WeakPolarHBondContact O-CB 3.43Å; M185-Y189 PolarHBondContact O-N 3.01Å; M185-Y189 HydrophobicContact SD-CD2 3.94Å; M185-Y189 HydrophobicContact SD-CE2 4.4Å |
| 186 | E | 88.4 | Confident | 90.1 | Very high | 49 Ų | 49 | 31.6 Ų | 31.6 | 23% | 0.229 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.7 | -31.7 | -179.6 | -74.1 | -82.6 | 168.7 | 0 | 0 | 112.9 | M182 S217 T220 | M182-E186 PolarHBondContact O-N 3.48Å; E186-S217 WeakPolarHBondContact OE2-CB 3.44Å; E186-S217 PolarHBondContact OE2-N 3.45Å; E186-S217 PolarHBondContact OE2-OG 3.5Å; E186-T220 WeakPolarHBondContact OE1-CB 3.48Å; E186-T220 WeakPolarHBondContact OE1-CG2 3.35Å; E186-T220 PolarHBondContact OE1-OG1 3.21Å; E186-T220 PolarHBondContact OE2-OG1 2.87Å |
| 187 | A | 88.8 | Confident | 91 | Very high | 46 Ų | 46 | 29.1 Ų | 29.1 | 38% | 0.38 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -78.5 | -34.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | M60 T183 I184 M185 | M60-A187 WeakPolarHBondContact CE-O 3.35Å; T183-A187 VanDerWaalsContact O-CB 3.28Å; T183-A187 WeakPolarHBondContact O-CB 3.35Å; T183-A187 PolarHBondContact O-N 3.4Å; T183-A187 VanDerWaalsContact O-N 3.1Å; I184-A187 PolarHBondContact O-N 3.37Å; M185-A187 VanDerWaalsContact C-N 3.35Å; M185-A187 PolarHBondContact O-N 3.22Å |
| 188 | N | 92.4 | Very high | 91.7 | Very high | 14 Ų | 14 | 29 Ų | 29 | 8% | 0.075 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -115.5 | -15.3 | -166.3 | -64.6 | -71.6 | 0 | 0 | 0 | 114.9 | H64 W67 I184 P190 | H64-N188 PolarHBondContact CE1-O 3.03Å; H64-N188 VanDerWaalsContact CE1-O 3.3Å; H64-N188 WeakPolarHBondContact ND1-CB 3.43Å; H64-N188 PolarHBondContact ND1-OD1 2.87Å; W67-N188 HydrophobicContact CD2-CB 4.46Å; W67-N188 VanDerWaalsContact CD2-OD1 3.29Å; W67-N188 HydrophobicContact CE3-CB 3.98Å; W67-N188 VanDerWaalsContact CE3-CG 3.46Å; W67-N188 HydrophobicContact CH2-CB 4.11Å; W67-N188 HydrophobicContact CZ3-CB 3.78Å; I184-N188 VanDerWaalsContact O-CB 3.29Å; I184-N188 WeakPolarHBondContact O-CB 3.28Å; I184-N188 PolarHBondContact O-N 3.28Å; I184-N188 PolarHBondContact O-ND2 2.9Å; N188-P190 WeakPolarHBondContact O-CD 3.35Å |
| 189 | Y | 94.2 | Very high | 92.3 | Very high | 15 Ų | 15 | 27.1 Ų | 27.1 | 6% | 0.059 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -127.2 | 56.2 | -178.6 | -62 | -73.1 | 0 | 0 | 0 | 112.3 | W67 I131 M134 E135 I138 M185 | W67-Y189 HydrophobicContact CH2-CE2 4.1Å; I131-Y189 WeakPolarHBondContact CG2-OH 3.16Å; M134-Y189 HydrophobicContact CB-CD1 3.59Å; M134-Y189 HydrophobicContact CB-CD2 3.92Å; M134-Y189 HydrophobicContact CB-CE1 3.43Å; M134-Y189 VanDerWaalsContact CB-CE1 3.43Å; M134-Y189 HydrophobicContact CB-CE2 3.78Å; M134-Y189 HydrophobicContact CB-CG 3.82Å; M134-Y189 HydrophobicContact CE-CD1 4.15Å; M134-Y189 HydrophobicContact CE-CD2 4.5Å; M134-Y189 HydrophobicContact CE-CG 3.8Å; M134-Y189 HydrophobicContact CG-CD1 4.22Å; M134-Y189 HydrophobicContact CG-CD2 3.84Å; M134-Y189 HydrophobicContact CG-CE1 4.39Å; M134-Y189 HydrophobicContact CG-CE2 4.03Å; M134-Y189 HydrophobicContact CG-CG 3.93Å; E135-Y189 WeakPolarHBondContact OE1-CE1 3.27Å; E135-Y189 PolarHBondContact OE1-OH 3.36Å; I138-Y189 HydrophobicContact CD1-CD1 3.65Å; I138-Y189 HydrophobicContact CD1-CE1 4.1Å; M185-Y189 HydrophobicContact CE-CD2 3.92Å; M185-Y189 HydrophobicContact CE-CE2 3.91Å; M185-Y189 WeakPolarHBondContact O-CA 3.5Å; M185-Y189 WeakPolarHBondContact O-CB 3.43Å; M185-Y189 PolarHBondContact O-N 3.01Å; M185-Y189 HydrophobicContact SD-CD2 3.94Å; M185-Y189 HydrophobicContact SD-CE2 4.4Å |
| 190 | P | 94.3 | Very high | 93 | Very high | 11 Ų | 11 | 28.8 Ų | 28.8 | 7% | 0.071 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 146.9 | -179.2 | 23.8 | -32.1 | 0 | 0 | 0 | 112.4 | R45 W46 A49 M60 N188 V192 | R45-P190 HydrophobicContact CB-CG 4.33Å; W46-P190 HydrophobicContact CD2-CG 4.06Å; W46-P190 HydrophobicContact CE3-CG 3.7Å; W46-P190 HydrophobicContact CH2-CG 3.96Å; W46-P190 HydrophobicContact CZ2-CG 4.33Å; W46-P190 HydrophobicContact CZ3-CG 3.65Å; A49-P190 HydrophobicContact CB-CB 3.48Å; A49-P190 VanDerWaalsContact CB-CB 3.48Å; A49-P190 HydrophobicContact CB-CG 4.45Å; M60-P190 HydrophobicContact CE-CB 4.05Å; M60-P190 HydrophobicContact CE-CG 4.03Å; N188-P190 WeakPolarHBondContact O-CD 3.35Å; P190-V192 PolarHBondContact O-N 2.99Å |
| 191 | E | 94 | Very high | 93.5 | Very high | 29 Ų | 29 | 27.2 Ų | 27.2 | 14% | 0.136 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 25.6 | 165.8 | -68.5 | -64.5 | 108.6 | 0 | 0 | 116.1 | R45 R48 A49 Q155 K223 | R45-E191 HydrophobicContact CB-CB 4.41Å; R48-E191 HydrophobicContact CB-CB 4.39Å; R48-E191 HydrophobicContact CB-CG 3.68Å; A49-E191 HydrophobicContact CB-CG 4.23Å; Q155-E191 WeakPolarHBondContact CG-O 3.49Å; Q155-E191 PolarHBondContact NE2-O 3.39Å; Q155-E191 PolarHBondContact NE2-OE2 3.44Å; E191-K223 IonicContact OE1-NZ 2.98Å; E191-K223 PolarHBondContact OE1-NZ 3.21Å; E191-K223 IonicContact OE2-NZ 3.79Å; E191-K223 PolarHBondContact OE2-NZ 2.88Å |
| 192 | V | 94.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.03 | 16% | 0.158 | C | C | . | . | trans | -79.8 | -31.1 | 169.6 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | M134 I137 I138 L142 Q155 L156 P190 | M134-V192 HydrophobicContact CE-CB 4.01Å; M134-V192 HydrophobicContact CE-CG1 3.9Å; M134-V192 HydrophobicContact CE-CG2 3.92Å; I137-V192 HydrophobicContact CG2-CG1 4.14Å; I138-V192 HydrophobicContact CD1-CG2 3.94Å; I138-V192 HydrophobicContact CG1-CG2 4.15Å; L142-V192 HydrophobicContact CD1-CG1 4.48Å; Q155-V192 CarbonylContact C-O 3.54Å; Q155-V192 WeakPolarHBondContact CA-O 3.45Å; Q155-V192 WeakPolarHBondContact CB-O 3.37Å; L156-V192 HydrophobicContact CD2-CG1 3.93Å; L156-V192 HydrophobicContact CG-CG1 4.35Å; L156-V192 PolarHBondContact N-O 3.05Å; P190-V192 PolarHBondContact O-N 2.99Å | ||
| 193 | L | 94.9 | Very high | 94.1 | Very high | 31 Ų | 31 | 33 Ų | 33 | 16% | 0.162 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 121.5 | 177.2 | -178.4 | 66.3 | 0 | 0 | 0 | 109.9 | L156 L158 I195 C196 T220 K223 | L156-L193 HydrophobicContact CD1-CD1 4.15Å; L158-L193 HydrophobicContact CB-CD1 3.78Å; L158-L193 HydrophobicContact CD2-CD1 4.32Å; L193-I195 WeakPolarHBondContact CD1-O 3.21Å; L193-C196 HydrophobicContact CD1-CB 4.2Å; L193-C196 HydrophobicContact CD2-CB 4.1Å; L193-T220 HydrophobicContact CD2-CG2 4.1Å; L193-K223 HydrophobicContact CD2-CB 4.22Å; L193-K223 HydrophobicContact CG-CD 4.46Å; L193-K223 WeakPolarHBondContact O-CD 3.42Å; L193-K223 WeakPolarHBondContact O-CE 3.24Å; L193-K223 PolarHBondContact O-NZ 3.41Å |
| 194 | R | 95.3 | Very high | 94.4 | Very high | 63 Ų | 63 | 31.2 Ų | 31.2 | 24% | 0.238 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -57.2 | 167.2 | 178.9 | 174 | 156.2 | -95.4 | 13.6 | 110.2 | D98 E100 Q155 L156 T157 K223 | D98-R194 IonicContact OD2-CZ 3.06Å; D98-R194 VanDerWaalsContact OD2-CZ 3.26Å; D98-R194 IonicContact OD2-NH1 2.89Å; D98-R194 PolarHBondContact OD2-NH1 3.16Å; D98-R194 IonicContact OD2-NH2 2.7Å; E100-R194 VanDerWaalsContact CG-NH2 3.26Å; Q155-R194 HydrophobicContact CB-CB 3.68Å; L156-R194 VanDerWaalsContact O-CB 3.31Å; L156-R194 WeakPolarHBondContact O-CB 3.03Å; L156-R194 PolarHBondContact O-N 3.18Å; T157-R194 PolarHBondContact OG1-NH1 3.39Å; R194-K223 WeakPolarHBondContact O-CG 3.13Å |
| 195 | I | 97 | Very high | 94.8 | Very high | 26 Ų | 26 | 31.1 Ų | 31.1 | 13% | 0.133 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 146.7 | -175.4 | -165.3 | 159.4 | 0 | 0 | 0 | 110.8 | T157 L158 L193 Y197 H225 | T157-I195 HydrophobicContact CG2-CG2 3.74Å; L158-I195 PolarHBondContact N-O 3.06Å; L193-I195 WeakPolarHBondContact CD1-O 3.21Å; I195-Y197 HydrophobicContact CD1-CE1 3.98Å; I195-Y197 HydrophobicContact CD1-CE2 4.32Å; I195-Y197 VanDerWaalsContact CD1-OH 3.31Å; I195-Y197 WeakPolarHBondContact CD1-OH 3.17Å; I195-Y197 HydrophobicContact CG1-CE1 4.32Å; I195-Y197 HydrophobicContact CG1-CE2 4.28Å; I195-Y197 HydrophobicContact CG2-CD2 4.4Å; I195-Y197 HydrophobicContact CG2-CE2 3.72Å; I195-H225 VanDerWaalsContact CG1-CD2 3.47Å; I195-H225 WeakPolarHBondContact CG1-CD2 3.37Å |
| 196 | C | 97.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 115.5 | 177.7 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | L158 L193 K223 I224 H225 | L158-C196 HydrophobicContact CB-CB 4.22Å; L158-C196 HydrophobicContact CD2-CB 4.27Å; L158-C196 CarbonylContact O-C 3.52Å; L158-C196 WeakPolarHBondContact O-CA 3.36Å; L193-C196 HydrophobicContact CD1-CB 4.2Å; L193-C196 HydrophobicContact CD2-CB 4.1Å; C196-K223 PolarHBondContact N-O 3.14Å; C196-I224 HydrophobicContact CB-CG1 4.09Å; C196-H225 PolarHBondContact O-N 2.93Å |
| 197 | Y | 98.4 | Very high | 94.9 | Very high | 16 Ų | 16 | 31.7 Ų | 31.7 | 6% | 0.063 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 114 | 172.2 | -62.3 | -68.6 | 0 | 0 | 0 | 110.5 | T157 L158 I159 L160 I195 H225 L227 L235 V238 | T157-Y197 HydrophobicContact CG2-CD2 4.1Å; T157-Y197 HydrophobicContact CG2-CE2 4Å; L158-Y197 PolarHBondContact O-N 3.22Å; I159-Y197 CarbonylContact C-O 3.2Å; I159-Y197 WeakPolarHBondContact CA-O 3.36Å; L160-Y197 PolarHBondContact N-O 2.71Å; I195-Y197 HydrophobicContact CD1-CE1 3.98Å; I195-Y197 HydrophobicContact CD1-CE2 4.32Å; I195-Y197 VanDerWaalsContact CD1-OH 3.31Å; I195-Y197 WeakPolarHBondContact CD1-OH 3.17Å; I195-Y197 HydrophobicContact CG1-CE1 4.32Å; I195-Y197 HydrophobicContact CG1-CE2 4.28Å; I195-Y197 HydrophobicContact CG2-CD2 4.4Å; I195-Y197 HydrophobicContact CG2-CE2 3.72Å; Y197-H225 WeakPolarHBondContact CA-O 3.34Å; Y197-H225 HydrophobicContact CD1-CB 4.11Å; Y197-H225 HydrophobicContact CE1-CB 4.39Å; Y197-L227 HydrophobicContact CD1-CD1 3.76Å; Y197-L227 HydrophobicContact CD1-CD2 4.04Å; Y197-L227 HydrophobicContact CD1-CG 4.08Å; Y197-L227 HydrophobicContact CG-CD1 4.18Å; Y197-L235 HydrophobicContact CD1-CD2 4.39Å; Y197-L235 HydrophobicContact CD2-CD2 3.79Å; Y197-L235 HydrophobicContact CE2-CD2 4.4Å; Y197-L235 HydrophobicContact CG-CD2 3.77Å; Y197-V238 HydrophobicContact CE2-CG2 4.07Å |
| 198 | V | 98.2 | Very high | 94.9 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 117.3 | 172.2 | -174.1 | 0 | 0 | 0 | 0 | 108.3 | L160 M162 A201 F205 I224 H225 V226 L227 | L160-V198 HydrophobicContact CB-CG2 4.35Å; L160-V198 HydrophobicContact CD1-CG2 4.33Å; M162-V198 HydrophobicContact CG-CG1 3.46Å; M162-V198 VanDerWaalsContact CG-CG1 3.46Å; V198-A201 HydrophobicContact CG1-CB 4.18Å; V198-F205 HydrophobicContact CG1-CD2 4.31Å; V198-F205 HydrophobicContact CG1-CE2 3.79Å; V198-F205 HydrophobicContact CG1-CZ 3.93Å; V198-F205 HydrophobicContact CG2-CZ 4.24Å; V198-I224 HydrophobicContact CG2-CG2 3.82Å; V198-H225 PolarHBondContact N-O 3.49Å; V198-V226 HydrophobicContact CB-CB 4.49Å; V198-V226 HydrophobicContact CB-CG1 4.48Å; V198-V226 HydrophobicContact CB-CG2 4.22Å; V198-V226 HydrophobicContact CG2-CG2 4.42Å; V198-L227 PolarHBondContact O-N 2.84Å |
| 199 | I | 98.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 159.5 | 179.4 | 67 | 173.2 | 0 | 0 | 0 | 110.7 | I159 L160 D161 M162 A201 L227 Y231 L235 Y248 | I159-I199 HydrophobicContact CG2-CD1 3.77Å; I159-I199 HydrophobicContact CG2-CG1 4.1Å; L160-I199 PolarHBondContact O-N 3.05Å; D161-I199 HydrophobicContact CB-CD1 4.08Å; D161-I199 HydrophobicContact CB-CG1 3.95Å; M162-I199 PolarHBondContact N-O 3.41Å; I199-A201 PolarHBondContact O-N 3.31Å; I199-A201 VanDerWaalsContact O-N 3.12Å; I199-L227 HydrophobicContact CG2-CB 4.36Å; I199-L227 HydrophobicContact CG2-CD1 4.04Å; I199-L227 HydrophobicContact CG2-CG 4.49Å; I199-Y231 HydrophobicContact CB-CD1 4.28Å; I199-Y231 HydrophobicContact CB-CD2 4.02Å; I199-Y231 HydrophobicContact CB-CE2 4.38Å; I199-Y231 HydrophobicContact CB-CG 3.97Å; I199-Y231 HydrophobicContact CD1-CD2 4.13Å; I199-Y231 HydrophobicContact CD1-CE2 3.81Å; I199-Y231 HydrophobicContact CG2-CD2 3.73Å; I199-Y231 HydrophobicContact CG2-CE2 4.46Å; I199-Y231 HydrophobicContact CG2-CG 3.8Å; I199-L235 HydrophobicContact CG2-CD1 4.45Å; I199-Y248 HydrophobicContact CD1-CD1 3.47Å; I199-Y248 VanDerWaalsContact CD1-CD1 3.47Å; I199-Y248 HydrophobicContact CD1-CE1 3.59Å; I199-Y248 HydrophobicContact CD1-CG 4.32Å |
| 200 | N | 97.7 | Very high | 94.7 | Very high | 53 Ų | 53 | 35.5 Ų | 35.5 | 28% | 0.283 | 20% | 0.204 | S | C | . | . | S | Bend | trans | 52.6 | 33.1 | 179 | -58.3 | -48.2 | 0 | 0 | 0 | 113.7 | D161 M162 K163 P202 Y231 | D161-N200 WeakPolarHBondContact OD1-CB 3.36Å; D161-N200 PolarHBondContact OD1-ND2 2.93Å; M162-N200 CarbonylContact C-O 3.55Å; K163-N200 HydrophobicContact CB-CB 3.83Å; N200-P202 WeakPolarHBondContact O-CD 3.15Å; N200-Y231 VanDerWaalsContact OD1-CE1 3.27Å; N200-Y231 WeakPolarHBondContact OD1-CE1 3.36Å |
| 201 | A | 96.5 | Very high | 94.3 | Very high | 35 Ų | 35 | 35.5 Ų | 35.5 | 29% | 0.289 | 20% | 0.203 | S | C | . | . | trans | -66.9 | 113.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111 | V198 I199 F205 V226 | V198-A201 HydrophobicContact CG1-CB 4.18Å; I199-A201 PolarHBondContact O-N 3.31Å; I199-A201 VanDerWaalsContact O-N 3.12Å; A201-F205 HydrophobicContact CB-CB 4Å; A201-F205 HydrophobicContact CB-CD1 4.14Å; A201-F205 HydrophobicContact CB-CD2 4.5Å; A201-F205 HydrophobicContact CB-CG 3.94Å; A201-V226 HydrophobicContact CB-CG1 3.9Å | ||
| 202 | P | 95.9 | Very high | 93.9 | Very high | 36 Ų | 36 | 35.5 Ų | 35.5 | 23% | 0.234 | 20% | 0.204 | C | C | . | . | trans | -74.7 | 165.8 | 174.3 | 30.9 | -33.1 | 0 | 0 | 0 | 110.8 | L165 N200 I204 F205 | L165-P202 HydrophobicContact CB-CG 3.75Å; L165-P202 HydrophobicContact CD2-CG 4.09Å; L165-P202 HydrophobicContact CG-CG 4.4Å; N200-P202 WeakPolarHBondContact O-CD 3.15Å; P202-I204 HydrophobicContact CB-CG2 4.31Å; P202-I204 HydrophobicContact CG-CG2 3.83Å; P202-I204 PolarHBondContact O-N 3.29Å; P202-F205 WeakPolarHBondContact O-CB 2.99Å; P202-F205 PolarHBondContact O-N 3.3Å | ||
| 203 | P | 94 | Very high | 93.7 | Very high | 133 Ų | 133 | 39.5 Ų | 39.5 | 86% | 0.864 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -32.9 | -179.8 | -29.7 | 36 | 0 | 0 | 0 | 114.8 | F205 | P203-F205 PolarHBondContact O-N 3.39Š|
| 204 | I | 93 | Very high | 93.5 | Very high | 41 Ų | 41 | 42.6 Ų | 42.6 | 21% | 0.21 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -16.6 | 177.9 | -167.2 | 60.5 | 0 | 0 | 0 | 113.6 | L165 L167 P202 G206 T207 I208 | L165-I204 HydrophobicContact CD2-CG2 4.39Å; L167-I204 HydrophobicContact CD2-CD1 3.84Å; L167-I204 HydrophobicContact CD2-CG1 4.12Å; L167-I204 HydrophobicContact CG-CD1 4.32Å; L167-I204 HydrophobicContact CG-CG1 4.36Å; P202-I204 HydrophobicContact CB-CG2 4.31Å; P202-I204 HydrophobicContact CG-CG2 3.83Å; P202-I204 PolarHBondContact O-N 3.29Å; I204-G206 VanDerWaalsContact C-N 3.3Å; I204-G206 PolarHBondContact O-N 2.83Å; I204-T207 HydrophobicContact CD1-CG2 4.42Å; I204-T207 PolarHBondContact O-N 3.31Å; I204-I208 HydrophobicContact CG1-CD1 4.25Å; I204-I208 HydrophobicContact CG1-CG1 4.46Å; I204-I208 PolarHBondContact O-N 3.17Å |
| 205 | F | 94.7 | Very high | 93.1 | Very high | 22 Ų | 22 | 41.1 Ų | 41.1 | 10% | 0.096 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.9 | -43.2 | 178.4 | 173.3 | -97.1 | 0 | 0 | 0 | 111.8 | M162 L165 V198 A201 P202 P203 T207 I208 F209 V226 | M162-F205 HydrophobicContact CE-CD2 3.66Å; M162-F205 HydrophobicContact CE-CE2 3.77Å; M162-F205 HydrophobicContact CG-CD2 4.19Å; M162-F205 HydrophobicContact CG-CE2 4.41Å; L165-F205 HydrophobicContact CD2-CB 3.95Å; L165-F205 HydrophobicContact CD2-CD2 4.05Å; V198-F205 HydrophobicContact CG1-CD2 4.31Å; V198-F205 HydrophobicContact CG1-CE2 3.79Å; V198-F205 HydrophobicContact CG1-CZ 3.93Å; V198-F205 HydrophobicContact CG2-CZ 4.24Å; A201-F205 HydrophobicContact CB-CB 4Å; A201-F205 HydrophobicContact CB-CD1 4.14Å; A201-F205 HydrophobicContact CB-CD2 4.5Å; A201-F205 HydrophobicContact CB-CG 3.94Å; P202-F205 WeakPolarHBondContact O-CB 2.99Å; P202-F205 PolarHBondContact O-N 3.3Å; P203-F205 PolarHBondContact O-N 3.39Å; F205-T207 VanDerWaalsContact C-N 3.29Å; F205-T207 PolarHBondContact O-N 3.36Å; F205-I208 PolarHBondContact O-N 3.13Å; F205-I208 VanDerWaalsContact O-N 3.15Å; F205-F209 HydrophobicContact CD1-CB 4.37Å; F205-F209 HydrophobicContact CE1-CB 3.9Å; F205-F209 HydrophobicContact CE1-CG 4.13Å; F205-F209 HydrophobicContact CE2-CB 4.36Å; F205-F209 HydrophobicContact CZ-CB 3.9Å; F205-F209 HydrophobicContact CZ-CD2 4Å; F205-F209 AromaticContact CZ-CG 3.99Å; F205-F209 HydrophobicContact CZ-CG 3.99Å; F205-F209 WeakPolarHBondContact O-CB 3.44Å; F205-F209 PolarHBondContact O-N 3.03Å; F205-V226 HydrophobicContact CE1-CG1 4.39Å; F205-V226 HydrophobicContact CE1-CG2 3.6Å; F205-V226 HydrophobicContact CZ-CG2 4.08Å |
| 206 | G | 92.3 | Very high | 92.7 | Very high | 35 Ų | 35 | 40.6 Ų | 40.6 | 36% | 0.361 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.9 | -40.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I204 N210 | I204-G206 VanDerWaalsContact C-N 3.3Å; I204-G206 PolarHBondContact O-N 2.83Å; G206-N210 WeakPolarHBondContact O-CB 3.2Å; G206-N210 VanDerWaalsContact O-CG 3.25Å; G206-N210 PolarHBondContact O-N 3.27Å; G206-N210 PolarHBondContact O-ND2 3.21Å |
| 207 | T | 90.1 | Very high | 92.3 | Very high | 50 Ų | 50 | 42.7 Ų | 42.7 | 31% | 0.307 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.9 | -44.7 | 176 | -52.7 | 0 | 0 | 0 | 0 | 112 | I204 F205 F211 L488 L492 | I204-T207 HydrophobicContact CD1-CG2 4.42Å; I204-T207 PolarHBondContact O-N 3.31Å; F205-T207 VanDerWaalsContact C-N 3.29Å; F205-T207 PolarHBondContact O-N 3.36Å; T207-F211 PolarHBondContact O-N 3.16Å; T207-L488 HydrophobicContact CG2-CD2 4.22Å; T207-L492 HydrophobicContact CG2-CD1 3.69Å |
| 208 | I | 89.4 | Confident | 92 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 5% | 0.051 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.8 | -42.8 | 178.9 | -66.5 | 173.3 | 0 | 0 | 0 | 110.6 | L165 M170 I204 F205 N210 F211 I212 | L165-I208 HydrophobicContact CD1-CD1 4.09Å; L165-I208 HydrophobicContact CD2-CD1 3.87Å; L165-I208 HydrophobicContact CG-CD1 3.92Å; M170-I208 HydrophobicContact CG-CD1 4.28Å; M170-I208 HydrophobicContact CG-CG1 3.96Å; M170-I208 HydrophobicContact SD-CB 4.46Å; M170-I208 HydrophobicContact SD-CG1 4.06Å; M170-I208 HydrophobicContact SD-CG2 3.98Å; I204-I208 HydrophobicContact CG1-CD1 4.25Å; I204-I208 HydrophobicContact CG1-CG1 4.46Å; I204-I208 PolarHBondContact O-N 3.17Å; F205-I208 PolarHBondContact O-N 3.13Å; F205-I208 VanDerWaalsContact O-N 3.15Å; I208-N210 VanDerWaalsContact C-N 3.33Å; I208-N210 PolarHBondContact O-N 2.86Å; I208-F211 WeakPolarHBondContact O-CB 3.4Å; I208-F211 PolarHBondContact O-N 3.13Å; I208-F211 VanDerWaalsContact O-N 3.08Å; I208-I212 HydrophobicContact CG2-CD1 3.83Å; I208-I212 WeakPolarHBondContact O-CG1 3.48Å; I208-I212 PolarHBondContact O-N 3.42Å; I208-I212 VanDerWaalsContact O-N 3.16Å |
| 209 | F | 91.8 | Very high | 91.6 | Very high | 41 Ų | 41 | 52 Ų | 52 | 18% | 0.18 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 179.6 | -174.4 | -114 | 0 | 0 | 0 | 111.6 | F205 F211 I212 K213 L216 I224 | F205-F209 HydrophobicContact CD1-CB 4.37Å; F205-F209 HydrophobicContact CE1-CB 3.9Å; F205-F209 HydrophobicContact CE1-CG 4.13Å; F205-F209 HydrophobicContact CE2-CB 4.36Å; F205-F209 HydrophobicContact CZ-CB 3.9Å; F205-F209 HydrophobicContact CZ-CD2 4Å; F205-F209 AromaticContact CZ-CG 3.99Å; F205-F209 HydrophobicContact CZ-CG 3.99Å; F205-F209 WeakPolarHBondContact O-CB 3.44Å; F205-F209 PolarHBondContact O-N 3.03Å; F209-F211 PolarHBondContact O-N 2.89Å; F209-I212 PolarHBondContact O-N 2.79Å; F209-K213 HydrophobicContact CE1-CD 4.4Å; F209-K213 VanDerWaalsContact O-CB 3.28Å; F209-K213 WeakPolarHBondContact O-CB 3.38Å; F209-K213 PolarHBondContact O-N 3.38Å; F209-L216 HydrophobicContact CE2-CD1 4.11Å; F209-I224 HydrophobicContact CE2-CD1 3.8Å; F209-I224 HydrophobicContact CE2-CG2 4.42Å; F209-I224 HydrophobicContact CZ-CD1 4.14Å; F209-I224 HydrophobicContact CZ-CG2 4.49Å |
| 210 | N | 90.7 | Very high | 91.2 | Very high | 104 Ų | 104 | 53 Ų | 53 | 56% | 0.556 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61.5 | -27.8 | 174.3 | -76.2 | -17 | 0 | 0 | 0 | 113.4 | G206 I208 | G206-N210 WeakPolarHBondContact O-CB 3.2Å; G206-N210 VanDerWaalsContact O-CG 3.25Å; G206-N210 PolarHBondContact O-N 3.27Å; G206-N210 PolarHBondContact O-ND2 3.21Å; I208-N210 VanDerWaalsContact C-N 3.33Å; I208-N210 PolarHBondContact O-N 2.86Å |
| 211 | F | 86.3 | Confident | 91.1 | Very high | 11 Ų | 11 | 52.9 Ų | 52.9 | 5% | 0.048 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -73.9 | -38.6 | 172.3 | 175.1 | -90.5 | 0 | 0 | 0 | 112.3 | M170 I175 T207 I208 F209 P214 V481 L484 L488 | M170-F211 HydrophobicContact CE-CB 4.1Å; M170-F211 HydrophobicContact CE-CD1 3.55Å; M170-F211 HydrophobicContact CE-CD2 4.09Å; M170-F211 HydrophobicContact CE-CE1 3.98Å; M170-F211 HydrophobicContact CE-CE2 4.47Å; M170-F211 HydrophobicContact CE-CG 3.61Å; M170-F211 HydrophobicContact CE-CZ 4.43Å; I175-F211 HydrophobicContact CG2-CE1 3.83Å; I175-F211 HydrophobicContact CG2-CE2 4.46Å; I175-F211 HydrophobicContact CG2-CZ 3.42Å; I175-F211 VanDerWaalsContact CG2-CZ 3.42Å; T207-F211 PolarHBondContact O-N 3.16Å; I208-F211 WeakPolarHBondContact O-CB 3.4Å; I208-F211 PolarHBondContact O-N 3.13Å; I208-F211 VanDerWaalsContact O-N 3.08Å; F209-F211 PolarHBondContact O-N 2.89Å; F211-P214 WeakPolarHBondContact O-CD 3.42Å; F211-V481 HydrophobicContact CE2-CG1 4.23Å; F211-V481 HydrophobicContact CZ-CG1 4.27Å; F211-L484 HydrophobicContact CD2-CD2 4.31Å; F211-L488 HydrophobicContact CB-CD1 4.38Å; F211-L488 HydrophobicContact CD2-CD1 3.84Å |
| 212 | I | 85.2 | Confident | 91.1 | Very high | 30 Ų | 30 | 56.4 Ų | 56.4 | 15% | 0.154 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -81.6 | -31.4 | -176.2 | -61.7 | 172 | 0 | 0 | 0 | 111.9 | F178 M182 I208 F209 P214 L215 L216 | F178-I212 HydrophobicContact CE1-CB 4.49Å; F178-I212 HydrophobicContact CE1-CD1 3.72Å; F178-I212 HydrophobicContact CE1-CG1 3.79Å; F178-I212 HydrophobicContact CE1-CG2 3.92Å; F178-I212 HydrophobicContact CZ-CD1 4.03Å; F178-I212 HydrophobicContact CZ-CG2 4.34Å; M182-I212 HydrophobicContact CE-CG2 4.19Å; I208-I212 HydrophobicContact CG2-CD1 3.83Å; I208-I212 WeakPolarHBondContact O-CG1 3.48Å; I208-I212 PolarHBondContact O-N 3.42Å; I208-I212 VanDerWaalsContact O-N 3.16Å; F209-I212 PolarHBondContact O-N 2.79Å; I212-P214 VanDerWaalsContact C-N 3.33Å; I212-P214 VanDerWaalsContact O-N 3.16Å; I212-L215 VanDerWaalsContact O-CB 3.25Å; I212-L215 WeakPolarHBondContact O-CB 3.41Å; I212-L215 PolarHBondContact O-N 3.37Å; I212-L216 HydrophobicContact CG2-CD1 4.27Å; I212-L216 HydrophobicContact CG2-CG 4.33Å |
| 213 | K | 90.8 | Very high | 91.1 | Very high | 88 Ų | 88 | 56.1 Ų | 56.1 | 38% | 0.383 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -48.9 | -42.2 | -174.2 | -173.7 | -179.2 | -177.3 | -177.1 | 0 | 114.3 | F209 L215 L216 Q221 | F209-K213 HydrophobicContact CE1-CD 4.4Å; F209-K213 VanDerWaalsContact O-CB 3.28Å; F209-K213 WeakPolarHBondContact O-CB 3.38Å; F209-K213 PolarHBondContact O-N 3.38Å; K213-L215 PolarHBondContact O-N 2.95Å; K213-L216 PolarHBondContact O-N 3.35Å; K213-L216 VanDerWaalsContact O-N 3.11Å; K213-Q221 HydrophobicContact CG-CG 4.28Å; K213-Q221 PolarHBondContact O-NE2 2.93Å; K213-Q221 VanDerWaalsContact O-NE2 3.12Å |
| 214 | P | 90.5 | Very high | 91.2 | Very high | 96 Ų | 96 | 51.4 Ų | 51.4 | 62% | 0.623 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -64.6 | -18.2 | 177.5 | -22 | 35.2 | 0 | 0 | 0 | 114.8 | F211 I212 L216 | F211-P214 WeakPolarHBondContact O-CD 3.42Å; I212-P214 VanDerWaalsContact C-N 3.33Å; I212-P214 VanDerWaalsContact O-N 3.16Å; P214-L216 VanDerWaalsContact C-N 3.31Å |
| 215 | L | 85.7 | Confident | 91.4 | Very high | 32 Ų | 32 | 53.2 Ų | 53.2 | 17% | 0.168 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -84.1 | -8.8 | 177.3 | -53.3 | 171.8 | 0 | 0 | 0 | 112.6 | M182 I212 K213 | M182-L215 HydrophobicContact CB-CB 4.25Å; M182-L215 HydrophobicContact CB-CD1 4.4Å; I212-L215 VanDerWaalsContact O-CB 3.25Å; I212-L215 WeakPolarHBondContact O-CB 3.41Å; I212-L215 PolarHBondContact O-N 3.37Å; K213-L215 PolarHBondContact O-N 2.95Å |
| 216 | L | 88.4 | Confident | 91.6 | Very high | 16 Ų | 16 | 55.8 Ų | 55.8 | 8% | 0.084 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -106.3 | 136.9 | -174.7 | -62.1 | 178.2 | 0 | 0 | 0 | 110.5 | M182 F209 I212 K213 P214 T220 Q221 I224 | M182-L216 HydrophobicContact CE-CD2 3.37Å; M182-L216 HydrophobicContact CE-CG 4.41Å; F209-L216 HydrophobicContact CE2-CD1 4.11Å; I212-L216 HydrophobicContact CG2-CD1 4.27Å; I212-L216 HydrophobicContact CG2-CG 4.33Å; K213-L216 PolarHBondContact O-N 3.35Å; K213-L216 VanDerWaalsContact O-N 3.11Å; P214-L216 VanDerWaalsContact C-N 3.31Å; L216-T220 HydrophobicContact CB-CG2 4.48Å; L216-T220 HydrophobicContact CD2-CG2 3.94Å; L216-Q221 HydrophobicContact CB-CG 3.79Å; L216-Q221 HydrophobicContact CD1-CG 4.37Å; L216-Q221 PolarHBondContact O-NE2 3.38Å; L216-I224 HydrophobicContact CD1-CD1 3.69Å |
| 217 | S | 89.6 | Confident | 91.8 | Very high | 46 Ų | 46 | 55.3 Ų | 55.3 | 32% | 0.322 | 29% | 0.285 | S | S | . | . | trans | -62.4 | 157.5 | 168.9 | 66 | 0 | 0 | 0 | 0 | 111.3 | E186 L219 T220 Q221 | E186-S217 WeakPolarHBondContact OE2-CB 3.44Å; E186-S217 PolarHBondContact OE2-N 3.45Å; E186-S217 PolarHBondContact OE2-OG 3.5Å; S217-L219 VanDerWaalsContact C-N 3.26Å; S217-L219 PolarHBondContact O-N 3.11Å; S217-T220 PolarHBondContact O-N 2.89Å; S217-T220 PolarHBondContact OG-N 2.9Å; S217-T220 PolarHBondContact OG-OG1 3.11Å; S217-T220 VanDerWaalsContact OG-OG1 3.05Å; S217-Q221 WeakPolarHBondContact O-CG 3.45Å; S217-Q221 PolarHBondContact O-N 3.12Å | ||
| 218 | K | 91.9 | Very high | 92.1 | Very high | 152 Ų | 152 | 60.9 Ų | 60.9 | 66% | 0.661 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58.9 | -40.2 | 178.1 | -166 | -170.2 | 177.2 | -153.6 | 0 | 111.6 | T220 Q221 E222 | K218-T220 PolarHBondContact O-N 3.35Å; K218-Q221 WeakPolarHBondContact O-CB 3.18Å; K218-Q221 PolarHBondContact O-N 2.87Å; K218-E222 WeakPolarHBondContact CE-OE1 3.31Å; K218-E222 IonicContact NZ-OE1 2.65Å; K218-E222 WeakPolarHBondContact O-CG 3.44Å; K218-E222 PolarHBondContact O-N 3.49Å |
| 219 | L | 90.4 | Very high | 92.3 | Very high | 60 Ų | 60 | 66 Ų | 66 | 31% | 0.314 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.4 | -45.5 | 175.4 | -71.4 | 171.7 | 0 | 0 | 0 | 111.6 | S217 Q221 E222 K223 | S217-L219 VanDerWaalsContact C-N 3.26Å; S217-L219 PolarHBondContact O-N 3.11Å; L219-Q221 PolarHBondContact O-N 3.42Å; L219-E222 PolarHBondContact O-N 3.44Å; L219-K223 WeakPolarHBondContact O-CG 3.22Å; L219-K223 PolarHBondContact O-N 2.92Å |
| 220 | T | 90.9 | Very high | 92.4 | Very high | 21 Ų | 21 | 68.5 Ų | 68.5 | 13% | 0.129 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.5 | -41.3 | 175.3 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | E186 L193 L216 S217 K218 E222 K223 I224 | E186-T220 WeakPolarHBondContact OE1-CB 3.48Å; E186-T220 WeakPolarHBondContact OE1-CG2 3.35Å; E186-T220 PolarHBondContact OE1-OG1 3.21Å; E186-T220 PolarHBondContact OE2-OG1 2.87Å; L193-T220 HydrophobicContact CD2-CG2 4.1Å; L216-T220 HydrophobicContact CB-CG2 4.48Å; L216-T220 HydrophobicContact CD2-CG2 3.94Å; S217-T220 PolarHBondContact O-N 2.89Å; S217-T220 PolarHBondContact OG-N 2.9Å; S217-T220 PolarHBondContact OG-OG1 3.11Å; S217-T220 VanDerWaalsContact OG-OG1 3.05Å; K218-T220 PolarHBondContact O-N 3.35Å; T220-E222 VanDerWaalsContact C-N 3.31Å; T220-E222 PolarHBondContact O-N 3.33Å; T220-K223 PolarHBondContact O-N 3.44Å; T220-I224 WeakPolarHBondContact O-CG1 3.35Å |
| 221 | Q | 95.1 | Very high | 92.8 | Very high | 51 Ų | 51 | 64 Ų | 64 | 24% | 0.238 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.8 | -38.8 | 178.3 | -67.3 | 174.5 | 40.7 | 0 | 0 | 112.4 | K213 L216 S217 K218 L219 K223 I224 | K213-Q221 HydrophobicContact CG-CG 4.28Å; K213-Q221 PolarHBondContact O-NE2 2.93Å; K213-Q221 VanDerWaalsContact O-NE2 3.12Å; L216-Q221 HydrophobicContact CB-CG 3.79Å; L216-Q221 HydrophobicContact CD1-CG 4.37Å; L216-Q221 PolarHBondContact O-NE2 3.38Å; S217-Q221 WeakPolarHBondContact O-CG 3.45Å; S217-Q221 PolarHBondContact O-N 3.12Å; K218-Q221 WeakPolarHBondContact O-CB 3.18Å; K218-Q221 PolarHBondContact O-N 2.87Å; L219-Q221 PolarHBondContact O-N 3.42Å; Q221-K223 PolarHBondContact O-N 2.64Å; Q221-I224 PolarHBondContact O-N 2.82Å |
| 222 | E | 96.2 | Very high | 93.3 | Very high | 109 Ų | 109 | 69.2 Ų | 69.2 | 51% | 0.509 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.2 | -26.8 | 178.2 | -72.9 | 169.3 | -175.4 | 0 | 0 | 112.5 | K218 L219 T220 I224 | K218-E222 WeakPolarHBondContact CE-OE1 3.31Å; K218-E222 IonicContact NZ-OE1 2.65Å; K218-E222 WeakPolarHBondContact O-CG 3.44Å; K218-E222 PolarHBondContact O-N 3.49Å; L219-E222 PolarHBondContact O-N 3.44Å; T220-E222 VanDerWaalsContact C-N 3.31Å; T220-E222 PolarHBondContact O-N 3.33Å; E222-I224 VanDerWaalsContact C-N 3.33Å |
| 223 | K | 95.7 | Very high | 93.9 | Very high | 31 Ų | 31 | 70.5 Ų | 70.5 | 14% | 0.135 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -6.7 | 177 | -66.5 | 169.6 | 176.7 | -178.2 | 0 | 113.8 | E191 L193 R194 C196 L219 T220 Q221 H225 | E191-K223 IonicContact OE1-NZ 2.98Å; E191-K223 PolarHBondContact OE1-NZ 3.21Å; E191-K223 IonicContact OE2-NZ 3.79Å; E191-K223 PolarHBondContact OE2-NZ 2.88Å; L193-K223 HydrophobicContact CD2-CB 4.22Å; L193-K223 HydrophobicContact CG-CD 4.46Å; L193-K223 WeakPolarHBondContact O-CD 3.42Å; L193-K223 WeakPolarHBondContact O-CE 3.24Å; L193-K223 PolarHBondContact O-NZ 3.41Å; R194-K223 WeakPolarHBondContact O-CG 3.13Å; C196-K223 PolarHBondContact N-O 3.14Å; L219-K223 WeakPolarHBondContact O-CG 3.22Å; L219-K223 PolarHBondContact O-N 2.92Å; T220-K223 PolarHBondContact O-N 3.44Å; Q221-K223 PolarHBondContact O-N 2.64Å; K223-H225 PolarHBondContact O-CD2 3.21Å; K223-H225 VanDerWaalsContact O-CD2 3.31Å |
| 224 | I | 97.2 | Very high | 94.2 | Very high | 34 Ų | 34 | 68.3 Ų | 68.3 | 17% | 0.174 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 112 | -178.4 | -64.1 | 170.7 | 0 | 0 | 0 | 110.2 | C196 V198 F209 L216 T220 Q221 E222 | C196-I224 HydrophobicContact CB-CG1 4.09Å; V198-I224 HydrophobicContact CG2-CG2 3.82Å; F209-I224 HydrophobicContact CE2-CD1 3.8Å; F209-I224 HydrophobicContact CE2-CG2 4.42Å; F209-I224 HydrophobicContact CZ-CD1 4.14Å; F209-I224 HydrophobicContact CZ-CG2 4.49Å; L216-I224 HydrophobicContact CD1-CD1 3.69Å; T220-I224 WeakPolarHBondContact O-CG1 3.35Å; Q221-I224 PolarHBondContact O-N 2.82Å; E222-I224 VanDerWaalsContact C-N 3.33Å |
| 225 | H | 97.4 | Very high | 94.6 | Very high | 79 Ų | 79 | 63.7 Ų | 63.7 | 37% | 0.366 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 109.9 | 178.2 | -60.4 | -88.7 | 0 | 0 | 0 | 110.7 | I195 C196 Y197 V198 K223 L227 | I195-H225 VanDerWaalsContact CG1-CD2 3.47Å; I195-H225 WeakPolarHBondContact CG1-CD2 3.37Å; C196-H225 PolarHBondContact O-N 2.93Å; Y197-H225 WeakPolarHBondContact CA-O 3.34Å; Y197-H225 HydrophobicContact CD1-CB 4.11Å; Y197-H225 HydrophobicContact CE1-CB 4.39Å; V198-H225 PolarHBondContact N-O 3.49Å; K223-H225 PolarHBondContact O-CD2 3.21Å; K223-H225 VanDerWaalsContact O-CD2 3.31Å; H225-L227 HydrophobicContact CB-CD2 4.36Å; H225-L227 PolarHBondContact O-N 3.49Å |
| 226 | V | 97.3 | Very high | 95.2 | Very high | 75 Ų | 75 | 64.9 Ų | 64.9 | 46% | 0.455 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 110.6 | 174.1 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | V198 A201 F205 | V198-V226 HydrophobicContact CB-CB 4.49Å; V198-V226 HydrophobicContact CB-CG1 4.48Å; V198-V226 HydrophobicContact CB-CG2 4.22Å; V198-V226 HydrophobicContact CG2-CG2 4.42Å; A201-V226 HydrophobicContact CB-CG1 3.9Å; F205-V226 HydrophobicContact CE1-CG1 4.39Å; F205-V226 HydrophobicContact CE1-CG2 3.6Å; F205-V226 HydrophobicContact CZ-CG2 4.08Å |
| 227 | L | 97.8 | Very high | 95.6 | Very high | 25 Ų | 25 | 70.8 Ų | 70.8 | 13% | 0.131 | 36% | 0.364 | C | S | . | . | trans | -87 | 148.1 | -177.2 | -56.5 | -171.8 | 0 | 0 | 0 | 111.5 | Y197 V198 I199 H225 T234 L235 | Y197-L227 HydrophobicContact CD1-CD1 3.76Å; Y197-L227 HydrophobicContact CD1-CD2 4.04Å; Y197-L227 HydrophobicContact CD1-CG 4.08Å; Y197-L227 HydrophobicContact CG-CD1 4.18Å; V198-L227 PolarHBondContact O-N 2.84Å; I199-L227 HydrophobicContact CG2-CB 4.36Å; I199-L227 HydrophobicContact CG2-CD1 4.04Å; I199-L227 HydrophobicContact CG2-CG 4.49Å; H225-L227 HydrophobicContact CB-CD2 4.36Å; H225-L227 PolarHBondContact O-N 3.49Å; L227-T234 HydrophobicContact CD1-CG2 4.19Å; L227-T234 HydrophobicContact CD2-CG2 3.95Å; L227-L235 HydrophobicContact CD1-CD2 4.02Å; L227-L235 HydrophobicContact CD1-CG 4.23Å | ||
| 228 | K | 96 | Very high | 95.9 | Very high | 168 Ų | 168 | 70.4 Ų | 70.4 | 73% | 0.73 | 36% | 0.36 | S | S | * | . | trans | -77.1 | -177.4 | 175.2 | -69.1 | 178.6 | -177 | 175.9 | 0 | 110.9 | D230 Y231 | K228-D230 VanDerWaalsContact CB-OD1 3.23Å; K228-D230 WeakPolarHBondContact CB-OD1 3.32Å; K228-D230 PolarHBondContact O-N 3.1Å; K228-D230 VanDerWaalsContact O-N 3.15Å; K228-Y231 WeakPolarHBondContact O-CB 3.39Å; K228-Y231 PolarHBondContact O-N 2.94Å | ||
| 229 | S | 93.3 | Very high | 96.3 | Very high | 116 Ų | 116 | 63.1 Ų | 63.1 | 81% | 0.811 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.1 | -177.9 | 49.4 | 0 | 0 | 0 | 0 | 114.6 | Y231 | S229-Y231 PolarHBondContact O-N 2.94Š|
| 230 | D | 94.6 | Very high | 96.6 | Very high | 94 Ų | 94 | 63.7 Ų | 63.7 | 50% | 0.503 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 14.4 | 174.9 | 62.7 | -29.9 | 0 | 0 | 0 | 113.4 | K228 R232 A233 | K228-D230 VanDerWaalsContact CB-OD1 3.23Å; K228-D230 WeakPolarHBondContact CB-OD1 3.32Å; K228-D230 PolarHBondContact O-N 3.1Å; K228-D230 VanDerWaalsContact O-N 3.15Å; D230-R232 PolarHBondContact O-N 3.22Å; D230-A233 PolarHBondContact O-N 3.21Å |
| 231 | Y | 97.9 | Very high | 97 | Very high | 11 Ų | 11 | 64.9 Ų | 64.9 | 4% | 0.043 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -45.3 | -31.3 | -177.3 | 67.1 | -94.3 | 0 | 0 | 0 | 114.8 | I199 N200 K228 S229 A233 T234 L235 | I199-Y231 HydrophobicContact CB-CD1 4.28Å; I199-Y231 HydrophobicContact CB-CD2 4.02Å; I199-Y231 HydrophobicContact CB-CE2 4.38Å; I199-Y231 HydrophobicContact CB-CG 3.97Å; I199-Y231 HydrophobicContact CD1-CD2 4.13Å; I199-Y231 HydrophobicContact CD1-CE2 3.81Å; I199-Y231 HydrophobicContact CG2-CD2 3.73Å; I199-Y231 HydrophobicContact CG2-CE2 4.46Å; I199-Y231 HydrophobicContact CG2-CG 3.8Å; N200-Y231 VanDerWaalsContact OD1-CE1 3.27Å; N200-Y231 WeakPolarHBondContact OD1-CE1 3.36Å; K228-Y231 WeakPolarHBondContact O-CB 3.39Å; K228-Y231 PolarHBondContact O-N 2.94Å; S229-Y231 PolarHBondContact O-N 2.94Å; Y231-A233 VanDerWaalsContact C-N 3.3Å; Y231-A233 PolarHBondContact O-N 2.88Å; Y231-T234 PolarHBondContact O-N 2.77Å; Y231-L235 HydrophobicContact CD2-CD1 3.92Å; Y231-L235 HydrophobicContact CE2-CD1 4.5Å; Y231-L235 WeakPolarHBondContact O-CG 3.43Å; Y231-L235 PolarHBondContact O-N 3.36Å |
| 232 | R | 98 | Very high | 97.1 | Very high | 120 Ų | 120 | 66.1 Ų | 66.1 | 45% | 0.453 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.2 | -43.7 | 178.1 | -65.4 | -168.1 | 173.2 | 93.3 | 1.6 | 111.6 | D230 L235 L236 C247 | D230-R232 PolarHBondContact O-N 3.22Å; R232-L235 PolarHBondContact O-N 3.02Å; R232-L236 VanDerWaalsContact O-CG 3.26Å; R232-L236 WeakPolarHBondContact O-CG 3.49Å; R232-L236 PolarHBondContact O-N 2.98Å; R232-C247 PolarHBondContact NH2-O 3.47Å |
| 233 | A | 97.5 | Very high | 97.2 | Very high | 57 Ų | 57 | 64.4 Ų | 64.4 | 47% | 0.471 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.5 | -42.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D230 Y231 L236 Q237 | D230-A233 PolarHBondContact O-N 3.21Å; Y231-A233 VanDerWaalsContact C-N 3.3Å; Y231-A233 PolarHBondContact O-N 2.88Å; A233-L236 PolarHBondContact O-N 3.44Å; A233-Q237 WeakPolarHBondContact O-CG 3.28Å; A233-Q237 PolarHBondContact O-N 3.31Å |
| 234 | T | 97.1 | Very high | 97.4 | Very high | 41 Ų | 41 | 63 Ų | 63 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 176.3 | -48.5 | 0 | 0 | 0 | 0 | 112 | L227 Y231 L236 Q237 | L227-T234 HydrophobicContact CD1-CG2 4.19Å; L227-T234 HydrophobicContact CD2-CG2 3.95Å; Y231-T234 PolarHBondContact O-N 2.77Å; T234-L236 VanDerWaalsContact C-N 3.3Å; T234-L236 PolarHBondContact O-N 3.1Å; T234-Q237 WeakPolarHBondContact O-CB 3.43Å; T234-Q237 PolarHBondContact O-N 2.83Å; T234-Q237 VanDerWaalsContact O-N 3.15Å |
| 235 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 177.5 | -69.5 | -179.2 | 0 | 0 | 0 | 111.4 | I159 Y197 I199 L227 Y231 R232 Q237 V238 I239 L244 | I159-L235 HydrophobicContact CD1-CD1 3.99Å; I159-L235 HydrophobicContact CD1-CD2 4.14Å; I159-L235 HydrophobicContact CG1-CD2 4.37Å; Y197-L235 HydrophobicContact CD1-CD2 4.39Å; Y197-L235 HydrophobicContact CD2-CD2 3.79Å; Y197-L235 HydrophobicContact CE2-CD2 4.4Å; Y197-L235 HydrophobicContact CG-CD2 3.77Å; I199-L235 HydrophobicContact CG2-CD1 4.45Å; L227-L235 HydrophobicContact CD1-CD2 4.02Å; L227-L235 HydrophobicContact CD1-CG 4.23Å; Y231-L235 HydrophobicContact CD2-CD1 3.92Å; Y231-L235 HydrophobicContact CE2-CD1 4.5Å; Y231-L235 WeakPolarHBondContact O-CG 3.43Å; Y231-L235 PolarHBondContact O-N 3.36Å; R232-L235 PolarHBondContact O-N 3.02Å; L235-Q237 PolarHBondContact O-N 2.78Å; L235-V238 VanDerWaalsContact O-CG2 3.25Å; L235-V238 WeakPolarHBondContact O-CG2 3.39Å; L235-V238 PolarHBondContact O-N 2.91Å; L235-V238 VanDerWaalsContact O-N 3.13Å; L235-I239 HydrophobicContact CD2-CD1 4.31Å; L235-I239 WeakPolarHBondContact O-CB 3.26Å; L235-I239 PolarHBondContact O-N 3.24Å; L235-L244 HydrophobicContact CB-CD2 4.15Å; L235-L244 HydrophobicContact CD1-CD2 4.49Å |
| 236 | L | 98.1 | Very high | 97.5 | Very high | 57 Ų | 57 | 59 Ų | 59 | 30% | 0.298 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.4 | -16.7 | 179.1 | -69.1 | 178.8 | 0 | 0 | 0 | 114.2 | R232 A233 T234 V238 I239 P241 L244 | R232-L236 VanDerWaalsContact O-CG 3.26Å; R232-L236 WeakPolarHBondContact O-CG 3.49Å; R232-L236 PolarHBondContact O-N 2.98Å; A233-L236 PolarHBondContact O-N 3.44Å; T234-L236 VanDerWaalsContact C-N 3.3Å; T234-L236 PolarHBondContact O-N 3.1Å; L236-V238 VanDerWaalsContact C-N 3.3Å; L236-I239 WeakPolarHBondContact CA-O 3.22Å; L236-P241 HydrophobicContact CD2-CB 4.08Å; L236-P241 HydrophobicContact CD2-CG 3.87Å; L236-L244 HydrophobicContact CD2-CD2 3.98Å |
| 237 | Q | 97.3 | Very high | 97.5 | Very high | 139 Ų | 139 | 56.8 Ų | 56.8 | 65% | 0.65 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -68.8 | -33.3 | 171.2 | -69.7 | 172.2 | -1.7 | 0 | 0 | 111.4 | K99 A233 T234 L235 | K99-Q237 WeakPolarHBondContact CE-O 3.34Å; K99-Q237 PolarHBondContact NZ-O 3.02Å; A233-Q237 WeakPolarHBondContact O-CG 3.28Å; A233-Q237 PolarHBondContact O-N 3.31Å; T234-Q237 WeakPolarHBondContact O-CB 3.43Å; T234-Q237 PolarHBondContact O-N 2.83Å; T234-Q237 VanDerWaalsContact O-N 3.15Å; L235-Q237 PolarHBondContact O-N 2.78Å |
| 238 | V | 97.1 | Very high | 97.5 | Very high | 38 Ų | 38 | 55.7 Ų | 55.7 | 23% | 0.23 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -111.6 | -15.3 | -171.8 | -66.3 | 0 | 0 | 0 | 0 | 114 | D98 K99 Y197 L235 L236 | D98-V238 WeakPolarHBondContact CB-O 3.47Å; K99-V238 WeakPolarHBondContact CB-O 3.42Å; K99-V238 WeakPolarHBondContact CG-O 3.47Å; K99-V238 PolarHBondContact N-O 2.93Å; Y197-V238 HydrophobicContact CE2-CG2 4.07Å; L235-V238 VanDerWaalsContact O-CG2 3.25Å; L235-V238 WeakPolarHBondContact O-CG2 3.39Å; L235-V238 PolarHBondContact O-N 2.91Å; L235-V238 VanDerWaalsContact O-N 3.13Å; L236-V238 VanDerWaalsContact C-N 3.3Å |
| 239 | I | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -129.1 | 129.1 | 179.8 | -60.3 | 158 | 0 | 0 | 0 | 108.2 | E97 D98 L104 I159 L235 L236 K243 L244 | E97-I239 WeakPolarHBondContact O-CG2 3.42Å; D98-I239 HydrophobicContact CB-CG1 3.87Å; L104-I239 HydrophobicContact CD1-CD1 3.94Å; L104-I239 HydrophobicContact CD2-CD1 4.05Å; I159-I239 HydrophobicContact CD1-CD1 4.31Å; L235-I239 HydrophobicContact CD2-CD1 4.31Å; L235-I239 WeakPolarHBondContact O-CB 3.26Å; L235-I239 PolarHBondContact O-N 3.24Å; L236-I239 WeakPolarHBondContact CA-O 3.22Å; I239-K243 HydrophobicContact CG2-CB 4.3Å; I239-L244 HydrophobicContact CD1-CD1 4.13Å; I239-L244 HydrophobicContact CG2-CB 3.76Å; I239-L244 HydrophobicContact CG2-CD1 4.3Å |
| 240 | D | 98.2 | Very high | 97.8 | Very high | 72 Ų | 72 | 44 Ų | 44 | 39% | 0.385 | 25% | 0.252 | S | S | . | . | trans | -64.8 | 141.4 | 175.9 | -79.8 | -50.8 | 0 | 0 | 0 | 111.6 | K99 S242 K243 L244 | K99-D240 WeakPolarHBondContact CE-OD1 3.3Å; D240-S242 PolarHBondContact O-N 3.22Å; D240-S242 VanDerWaalsContact O-N 3.1Å; D240-K243 HydrophobicContact CB-CB 4.47Å; D240-K243 HydrophobicContact CB-CG 4.31Å; D240-K243 CarbonylContact O-C 3.52Å; D240-K243 WeakPolarHBondContact O-CA 3.31Å; D240-K243 PolarHBondContact O-N 2.91Å; D240-L244 PolarHBondContact O-N 3.16Å | ||
| 241 | P | 98.3 | Very high | 98 | Very high | 45 Ų | 45 | 47 Ų | 47 | 29% | 0.292 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -54 | -35.6 | 179.8 | -22.1 | 25.9 | 0 | 0 | 0 | 113.4 | L236 K243 L244 G250 K251 | L236-P241 HydrophobicContact CD2-CB 4.08Å; L236-P241 HydrophobicContact CD2-CG 3.87Å; P241-K243 PolarHBondContact O-N 3.3Å; P241-L244 PolarHBondContact O-N 3.32Å; P241-G250 CarbonylContact O-C 3.58Å; P241-G250 WeakPolarHBondContact O-CA 3.06Å; P241-K251 HydrophobicContact CB-CD 4.1Å; P241-K251 HydrophobicContact CB-CG 4.04Å; P241-K251 WeakPolarHBondContact O-CB 3.37Å; P241-K251 PolarHBondContact O-N 2.96Å |
| 242 | S | 98.2 | Very high | 98 | Very high | 78 Ų | 78 | 47.5 Ų | 47.5 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -69.3 | -13.6 | 177.1 | 55.6 | 0 | 0 | 0 | 0 | 114.1 | D240 I252 | D240-S242 PolarHBondContact O-N 3.22Å; D240-S242 VanDerWaalsContact O-N 3.1Å; S242-I252 VanDerWaalsContact O-CG1 3.26Å; S242-I252 WeakPolarHBondContact O-CG1 3.3Å |
| 243 | K | 98.2 | Very high | 98 | Very high | 73 Ų | 73 | 45 Ų | 45 | 32% | 0.317 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -111.8 | 8 | -178.5 | -59.5 | -69.4 | -174.5 | 146.4 | 0 | 112.7 | G96 E97 I239 D240 P241 I252 | G96-K243 VanDerWaalsContact CA-O 3.31Å; G96-K243 WeakPolarHBondContact CA-O 3.16Å; E97-K243 HydrophobicContact CG-CD 4.12Å; E97-K243 HydrophobicContact CG-CG 4.31Å; E97-K243 WeakPolarHBondContact O-CB 3.36Å; E97-K243 WeakPolarHBondContact OE1-CE 3.48Å; E97-K243 IonicContact OE1-NZ 2.7Å; E97-K243 PolarHBondContact OE1-NZ 3Å; I239-K243 HydrophobicContact CG2-CB 4.3Å; D240-K243 HydrophobicContact CB-CB 4.47Å; D240-K243 HydrophobicContact CB-CG 4.31Å; D240-K243 CarbonylContact O-C 3.52Å; D240-K243 WeakPolarHBondContact O-CA 3.31Å; D240-K243 PolarHBondContact O-N 2.91Å; P241-K243 PolarHBondContact O-N 3.3Å; K243-I252 VanDerWaalsContact C-CD1 3.44Å |
| 244 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -119.2 | 138.9 | 178 | -176.7 | 69.3 | 0 | 0 | 0 | 110.7 | L104 I159 L235 L236 I239 D240 P241 G250 K251 I252 | L104-L244 HydrophobicContact CD2-CD1 3.75Å; I159-L244 HydrophobicContact CD1-CD1 3.91Å; L235-L244 HydrophobicContact CB-CD2 4.15Å; L235-L244 HydrophobicContact CD1-CD2 4.49Å; L236-L244 HydrophobicContact CD2-CD2 3.98Å; I239-L244 HydrophobicContact CD1-CD1 4.13Å; I239-L244 HydrophobicContact CG2-CB 3.76Å; I239-L244 HydrophobicContact CG2-CD1 4.3Å; D240-L244 PolarHBondContact O-N 3.16Å; P241-L244 PolarHBondContact O-N 3.32Å; L244-G250 CarbonylContact O-C 3.54Å; L244-G250 VanDerWaalsContact O-CA 3.27Å; L244-G250 WeakPolarHBondContact O-CA 3.49Å; L244-K251 PolarHBondContact O-N 2.99Å; L244-I252 PolarHBondContact O-N 2.94Å |
| 245 | P | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -54 | 138.9 | 169.6 | -28.5 | 36.9 | 0 | 0 | 0 | 113 | C95 C247 Y248 G249 G250 I265 | C95-P245 HydrophobicContact CB-CG 4Å; P245-C247 PolarHBondContact O-N 3.03Å; P245-Y248 HydrophobicContact CB-CD2 3.99Å; P245-Y248 HydrophobicContact CG-CD2 4.08Å; P245-Y248 PolarHBondContact O-N 3.1Å; P245-G249 PolarHBondContact O-N 2.78Å; P245-G250 PolarHBondContact O-N 2.98Å; P245-I265 HydrophobicContact CG-CD1 3.99Å |
| 246 | A | 98.4 | Very high | 97.9 | Very high | 31 Ų | 31 | 53.2 Ų | 53.2 | 26% | 0.256 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -59.5 | -33.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y248 G249 G250 I252 T253 P259 | A246-Y248 PolarHBondContact O-N 3.39Å; A246-Y248 VanDerWaalsContact O-N 3.15Å; A246-G249 PolarHBondContact O-N 3.11Å; A246-G250 WeakPolarHBondContact CA-O 3.49Å; A246-I252 WeakPolarHBondContact CB-O 3.38Å; A246-I252 PolarHBondContact N-O 3.16Å; A246-T253 HydrophobicContact CB-CG2 3.98Å; A246-P259 HydrophobicContact CB-CB 3.66Å |
| 247 | C | 97.4 | Very high | 97.9 | Very high | 27 Ų | 27 | 52.6 Ų | 52.6 | 18% | 0.182 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -59.1 | -27.2 | 174.5 | 65.3 | 0 | 0 | 0 | 0 | 113.7 | R232 P245 P259 Q260 | R232-C247 PolarHBondContact NH2-O 3.47Å; P245-C247 PolarHBondContact O-N 3.03Å; C247-P259 WeakPolarHBondContact CB-O 3.26Å; C247-P259 PolarHBondContact N-O 3.01Å; C247-P259 PolarHBondContact SG-O 3.33Å; C247-Q260 HydrophobicContact CB-CG 4.27Å |
| 248 | Y | 98 | Very high | 97.9 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -99.1 | 8.6 | 177.9 | -58.6 | -43.2 | 0 | 0 | 0 | 113.8 | C106 I159 D161 I199 P245 A246 W267 | C106-Y248 HydrophobicContact CB-CE2 3.92Å; I159-Y248 HydrophobicContact CG2-CE2 4.49Å; D161-Y248 HydrophobicContact CB-CE1 3.99Å; I199-Y248 HydrophobicContact CD1-CD1 3.47Å; I199-Y248 VanDerWaalsContact CD1-CD1 3.47Å; I199-Y248 HydrophobicContact CD1-CE1 3.59Å; I199-Y248 HydrophobicContact CD1-CG 4.32Å; P245-Y248 HydrophobicContact CB-CD2 3.99Å; P245-Y248 HydrophobicContact CG-CD2 4.08Å; P245-Y248 PolarHBondContact O-N 3.1Å; A246-Y248 PolarHBondContact O-N 3.39Å; A246-Y248 VanDerWaalsContact O-N 3.15Å; Y248-W267 HydrophobicContact CE1-CH2 4.36Å; Y248-W267 WeakPolarHBondContact OH-CH2 3.35Å |
| 249 | G | 97.5 | Very high | 98 | Very high | 25 Ų | 25 | 49.1 Ų | 49.1 | 26% | 0.258 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.5 | 3.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | P245 A246 | P245-G249 PolarHBondContact O-N 2.78Å; A246-G249 PolarHBondContact O-N 3.11Å |
| 250 | G | 98.3 | Very high | 97.9 | Very high | 14 Ų | 14 | 52 Ų | 52 | 14% | 0.144 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -90.2 | -149.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | P241 L244 P245 A246 | P241-G250 CarbonylContact O-C 3.58Å; P241-G250 WeakPolarHBondContact O-CA 3.06Å; L244-G250 CarbonylContact O-C 3.54Å; L244-G250 VanDerWaalsContact O-CA 3.27Å; L244-G250 WeakPolarHBondContact O-CA 3.49Å; P245-G250 PolarHBondContact O-N 2.98Å; A246-G250 WeakPolarHBondContact CA-O 3.49Å |
| 251 | K | 98.3 | Very high | 97.8 | Very high | 156 Ų | 156 | 48.6 Ų | 48.6 | 68% | 0.678 | 29% | 0.294 | S | S | * | . | trans | -130.2 | -7.2 | -175.5 | -62.5 | -176.9 | 178.3 | -180 | 0 | 113.9 | P241 L244 T253 | P241-K251 HydrophobicContact CB-CD 4.1Å; P241-K251 HydrophobicContact CB-CG 4.04Å; P241-K251 WeakPolarHBondContact O-CB 3.37Å; P241-K251 PolarHBondContact O-N 2.96Å; L244-K251 PolarHBondContact O-N 2.99Å; K251-T253 PolarHBondContact O-N 3.06Å | ||
| 252 | I | 98.5 | Very high | 97.7 | Very high | 22 Ų | 22 | 49.6 Ų | 49.6 | 11% | 0.113 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -67.9 | 130.3 | 176.4 | -56.7 | 176.1 | 0 | 0 | 0 | 108.9 | S242 K243 L244 A246 C261 | S242-I252 VanDerWaalsContact O-CG1 3.26Å; S242-I252 WeakPolarHBondContact O-CG1 3.3Å; K243-I252 VanDerWaalsContact C-CD1 3.44Å; L244-I252 PolarHBondContact O-N 2.94Å; A246-I252 WeakPolarHBondContact CB-O 3.38Å; A246-I252 PolarHBondContact N-O 3.16Å; I252-C261 PolarHBondContact O-SG 3Å |
| 253 | T | 98.4 | Very high | 97.5 | Very high | 66 Ų | 66 | 49.8 Ų | 49.8 | 41% | 0.405 | 30% | 0.302 | S | S | . | . | trans | -132.7 | 157.3 | 170.6 | 57 | 0 | 0 | 0 | 0 | 108.2 | A246 K251 D258 | A246-T253 HydrophobicContact CB-CG2 3.98Å; K251-T253 PolarHBondContact O-N 3.06Å; T253-D258 WeakPolarHBondContact CA-O 2.93Å | ||
| 254 | D | 97.4 | Very high | 97.3 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.053 | 31% | 0.311 | C | S | . | . | trans | -66.4 | 164.3 | 167.4 | -88.3 | -4.2 | 0 | 0 | 0 | 111 | N256 G257 D258 C261 P262 S263 | D254-N256 VanDerWaalsContact CB-OD1 3.23Å; D254-N256 WeakPolarHBondContact CB-OD1 3.33Å; D254-N256 PolarHBondContact O-N 2.81Å; D254-G257 WeakPolarHBondContact O-CA 3.25Å; D254-G257 PolarHBondContact O-N 3.45Å; D254-D258 HydrophobicContact CB-CB 4.35Å; D254-D258 PolarHBondContact N-O 3.29Å; D254-C261 VanDerWaalsContact CG-CA 3.49Å; D254-C261 VanDerWaalsContact OD1-CA 3.31Å; D254-C261 WeakPolarHBondContact OD1-CA 3.21Å; D254-P262 WeakPolarHBondContact OD2-CD 3.3Å; D254-P262 VanDerWaalsContact OD2-CG 3.31Å; D254-P262 WeakPolarHBondContact OD2-CG 3.24Å; D254-P262 VanDerWaalsContact OD2-N 3.11Å; D254-S263 WeakPolarHBondContact OD1-CB 3.13Å; D254-S263 PolarHBondContact OD1-OG 3.17Å; D254-S263 WeakPolarHBondContact OD2-CB 3.31Å; D254-S263 PolarHBondContact OD2-N 3.05Å; D254-S263 PolarHBondContact OD2-OG 3.14Å | ||
| 255 | P | 96.4 | Very high | 97.2 | Very high | 137 Ų | 137 | 52.9 Ų | 52.9 | 89% | 0.89 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -24.8 | 178.9 | -27.9 | 35.9 | 0 | 0 | 0 | 114.8 | G257 | P255-G257 VanDerWaalsContact C-N 3.3Š|
| 256 | N | 96.7 | Very high | 97 | Very high | 124 Ų | 124 | 54.1 Ų | 54.1 | 66% | 0.663 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 2.8 | 175.4 | 66.8 | -4.2 | 0 | 0 | 0 | 113.9 | D254 D258 | D254-N256 VanDerWaalsContact CB-OD1 3.23Å; D254-N256 WeakPolarHBondContact CB-OD1 3.33Å; D254-N256 PolarHBondContact O-N 2.81Å; N256-D258 VanDerWaalsContact OD1-CB 3.32Å; N256-D258 WeakPolarHBondContact OD1-CB 3.46Å; N256-D258 PolarHBondContact OD1-N 3.01Å |
| 257 | G | 97.6 | Very high | 96.8 | Very high | 44 Ų | 44 | 53.8 Ų | 53.8 | 45% | 0.454 | 31% | 0.313 | S | S | . | . | trans | 84.1 | 4.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | D254 P255 P259 | D254-G257 WeakPolarHBondContact O-CA 3.25Å; D254-G257 PolarHBondContact O-N 3.45Å; P255-G257 VanDerWaalsContact C-N 3.3Å; G257-P259 VanDerWaalsContact O-CD 3.3Å; G257-P259 WeakPolarHBondContact O-CD 3.46Å | ||
| 258 | D | 97.9 | Very high | 96.6 | Very high | 45 Ų | 45 | 53.8 Ų | 53.8 | 24% | 0.241 | 32% | 0.315 | C | S | . | . | trans | -66.5 | 117.6 | 179.5 | -170 | -23.3 | 0 | 0 | 0 | 110.8 | T253 D254 N256 Q260 C261 P262 | T253-D258 WeakPolarHBondContact CA-O 2.93Å; D254-D258 HydrophobicContact CB-CB 4.35Å; D254-D258 PolarHBondContact N-O 3.29Å; N256-D258 VanDerWaalsContact OD1-CB 3.32Å; N256-D258 WeakPolarHBondContact OD1-CB 3.46Å; N256-D258 PolarHBondContact OD1-N 3.01Å; D258-Q260 PolarHBondContact O-N 3.48Å; D258-Q260 VanDerWaalsContact OD1-CB 3.32Å; D258-Q260 WeakPolarHBondContact OD1-CB 3.04Å; D258-Q260 PolarHBondContact OD1-N 2.9Å; D258-C261 PolarHBondContact O-N 2.73Å; D258-P262 HydrophobicContact CB-CG 4.47Å | ||
| 259 | P | 97.8 | Very high | 96.3 | Very high | 60 Ų | 60 | 54.2 Ų | 54.2 | 39% | 0.39 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -13.3 | -178.5 | 31.1 | -37.8 | 0 | 0 | 0 | 114 | A246 C247 G257 | A246-P259 HydrophobicContact CB-CB 3.66Å; C247-P259 WeakPolarHBondContact CB-O 3.26Å; C247-P259 PolarHBondContact N-O 3.01Å; C247-P259 PolarHBondContact SG-O 3.33Å; G257-P259 VanDerWaalsContact O-CD 3.3Å; G257-P259 WeakPolarHBondContact O-CD 3.46Å |
| 260 | Q | 96.6 | Very high | 96.2 | Very high | 60 Ų | 60 | 58.2 Ų | 58.2 | 28% | 0.28 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -11.9 | 178.2 | -73.2 | 178.1 | 101.2 | 0 | 0 | 113.2 | C247 D258 W267 | C247-Q260 HydrophobicContact CB-CG 4.27Å; D258-Q260 PolarHBondContact O-N 3.48Å; D258-Q260 VanDerWaalsContact OD1-CB 3.32Å; D258-Q260 WeakPolarHBondContact OD1-CB 3.04Å; D258-Q260 PolarHBondContact OD1-N 2.9Å; Q260-W267 HydrophobicContact CB-CZ2 3.64Å; Q260-W267 HydrophobicContact CG-CH2 4.2Å; Q260-W267 HydrophobicContact CG-CZ2 3.7Å; Q260-W267 PolarHBondContact O-NE1 3.43Å |
| 261 | C | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | 51.5 | 50.3 | -179.1 | -50.5 | 0 | 0 | 0 | 0 | 114.5 | I252 D254 D258 S263 R264 I265 | I252-C261 PolarHBondContact O-SG 3Å; D254-C261 VanDerWaalsContact CG-CA 3.49Å; D254-C261 VanDerWaalsContact OD1-CA 3.31Å; D254-C261 WeakPolarHBondContact OD1-CA 3.21Å; D258-C261 PolarHBondContact O-N 2.73Å; C261-S263 PolarHBondContact O-N 2.77Å; C261-S263 VanDerWaalsContact O-N 3.09Å; C261-R264 PolarHBondContact O-N 3.14Å; C261-I265 HydrophobicContact CB-CD1 4.41Å; C261-I265 PolarHBondContact O-N 3.41Å | ||
| 262 | P | 95.3 | Very high | 95.6 | Very high | 66 Ų | 66 | 52.8 Ų | 52.8 | 43% | 0.429 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -18.5 | -179.5 | 26 | -36.7 | 0 | 0 | 0 | 114.6 | D254 D258 R264 | D254-P262 WeakPolarHBondContact OD2-CD 3.3Å; D254-P262 VanDerWaalsContact OD2-CG 3.31Å; D254-P262 WeakPolarHBondContact OD2-CG 3.24Å; D254-P262 VanDerWaalsContact OD2-N 3.11Å; D258-P262 HydrophobicContact CB-CG 4.47Å; P262-R264 PolarHBondContact O-N 3Å |
| 263 | S | 94.8 | Very high | 95.2 | Very high | 83 Ų | 83 | 55.2 Ų | 55.2 | 58% | 0.58 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -20.1 | 172.2 | 78.2 | 0 | 0 | 0 | 0 | 113.7 | D254 C261 | D254-S263 WeakPolarHBondContact OD1-CB 3.13Å; D254-S263 PolarHBondContact OD1-OG 3.17Å; D254-S263 WeakPolarHBondContact OD2-CB 3.31Å; D254-S263 PolarHBondContact OD2-N 3.05Å; D254-S263 PolarHBondContact OD2-OG 3.14Å; C261-S263 PolarHBondContact O-N 2.77Å; C261-S263 VanDerWaalsContact O-N 3.09Å |
| 264 | R | 94.6 | Very high | 94.8 | Very high | 135 Ų | 135 | 57.4 Ų | 57.4 | 51% | 0.509 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -28.8 | -176.5 | -62.8 | -179.9 | -173.6 | -164.4 | -0.7 | 113.5 | G93 C95 C261 P262 | G93-R264 VanDerWaalsContact CA-O 3.28Å; G93-R264 WeakPolarHBondContact CA-O 3.37Å; C95-R264 HydrophobicContact CB-CB 4.29Å; C261-R264 PolarHBondContact O-N 3.14Å; P262-R264 PolarHBondContact O-N 3Å |
| 265 | I | 95.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | trans | -117.8 | 118.4 | -174.7 | -57.1 | 171.3 | 0 | 0 | 0 | 109.1 | C95 C106 P108 P245 C261 W267 | C95-I265 HydrophobicContact CB-CD1 3.86Å; C95-I265 HydrophobicContact CB-CG1 3.96Å; C106-I265 HydrophobicContact CB-CD1 3.76Å; C106-I265 HydrophobicContact CB-CG1 4.25Å; C106-I265 HydrophobicContact CB-CG2 4.48Å; P108-I265 HydrophobicContact CG-CG2 4.22Å; P245-I265 HydrophobicContact CG-CD1 3.99Å; C261-I265 HydrophobicContact CB-CD1 4.41Å; C261-I265 PolarHBondContact O-N 3.41Å; I265-W267 PolarHBondContact O-N 3.06Å | ||
| 266 | S | 94.4 | Very high | 94 | Very high | 26 Ų | 26 | 56.9 Ų | 56.9 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -71.7 | 114.8 | 166.3 | 176.9 | 0 | 0 | 0 | 0 | 109.3 | K88 F90 P91 G92 P108 A268 | K88-S266 PolarHBondContact O-OG 2.99Å; F90-S266 WeakPolarHBondContact O-CB 3.41Å; F90-S266 PolarHBondContact O-OG 3.31Å; P91-S266 VanDerWaalsContact CA-O 3.32Å; P91-S266 WeakPolarHBondContact CA-O 3.29Å; G92-S266 PolarHBondContact N-O 3.47Å; G92-S266 WeakPolarHBondContact O-CB 3.39Å; G92-S266 PolarHBondContact O-N 3.44Å; P108-S266 WeakPolarHBondContact CG-O 3.28Å; S266-A268 VanDerWaalsContact C-N 3.25Å; S266-A268 PolarHBondContact OG-N 3.24Å |
| 267 | W | 94.5 | Very high | 93 | Very high | 25 Ų | 25 | 54.1 Ų | 54.1 | 10% | 0.095 | 33% | 0.327 | C | S | . | . | trans | -85.9 | 1.8 | 175.2 | -73.3 | 84.6 | 0 | 0 | 0 | 113.5 | P108 R111 Y248 Q260 I265 | P108-W267 HydrophobicContact CB-CD2 4.15Å; P108-W267 HydrophobicContact CB-CE3 3.37Å; P108-W267 HydrophobicContact CB-CH2 4.47Å; P108-W267 HydrophobicContact CB-CZ3 3.57Å; P108-W267 HydrophobicContact CG-CB 4.42Å; P108-W267 HydrophobicContact CG-CD2 3.88Å; P108-W267 HydrophobicContact CG-CE3 3.62Å; P108-W267 HydrophobicContact CG-CG 4.24Å; P108-W267 HydrophobicContact CG-CZ3 4.2Å; R111-W267 WeakPolarHBondContact CB-O 2.93Å; R111-W267 WeakPolarHBondContact CD-O 3.46Å; R111-W267 VanDerWaalsContact NH1-CE3 3.32Å; Y248-W267 HydrophobicContact CE1-CH2 4.36Å; Y248-W267 WeakPolarHBondContact OH-CH2 3.35Å; Q260-W267 HydrophobicContact CB-CZ2 3.64Å; Q260-W267 HydrophobicContact CG-CH2 4.2Å; Q260-W267 HydrophobicContact CG-CZ2 3.7Å; Q260-W267 PolarHBondContact O-NE1 3.43Å; I265-W267 PolarHBondContact O-N 3.06Å | ||
| 268 | A | 92.5 | Very high | 91.1 | Very high | 27 Ų | 27 | 61.3 Ų | 61.3 | 22% | 0.223 | 35% | 0.346 | C | S | . | . | trans | 50.4 | -158 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y89 P91 S266 | Y89-A268 VanDerWaalsContact O-CB 3.26Å; Y89-A268 WeakPolarHBondContact O-CB 3.36Å; P91-A268 HydrophobicContact CB-CB 3.98Å; P91-A268 HydrophobicContact CG-CB 4.47Å; S266-A268 VanDerWaalsContact C-N 3.25Å; S266-A268 PolarHBondContact OG-N 3.24Å | ||
| 269 | G | 91.9 | Very high | 88.6 | Confident | 12 Ų | 12 | 66.9 Ų | 66.9 | 12% | 0.124 | 37% | 0.368 | C | S | . | . | trans | 157.1 | -178.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V271 | G269-V271 PolarHBondContact O-N 3.27Š| ||
| 270 | P | 95.1 | Very high | 85.8 | Confident | 108 Ų | 108 | 68.4 Ų | 68.4 | 70% | 0.701 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 133.4 | 172.3 | 26.5 | -33.4 | 0 | 0 | 0 | 110 | Y89 P272 | Y89-P270 WeakPolarHBondContact CE1-O 3.45Å; P270-P272 WeakPolarHBondContact O-CD 3.19Å |
| 271 | V | 92.5 | Very high | 83 | Confident | 9 Ų | 9 | 68.4 Ų | 68.4 | 6% | 0.055 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -80.9 | 122.3 | 177.4 | -175.2 | 0 | 0 | 0 | 0 | 109 | V85 Y89 D113 F117 A120 G269 A273 L275 F276 | V85-V271 HydrophobicContact CG2-CG1 4.27Å; Y89-V271 HydrophobicContact CD1-CB 4.49Å; Y89-V271 HydrophobicContact CD1-CG2 3.93Å; Y89-V271 HydrophobicContact CD2-CG1 4.5Å; Y89-V271 HydrophobicContact CG-CG2 3.83Å; D113-V271 PolarHBondContact OD2-N 2.95Å; D113-V271 VanDerWaalsContact OD2-N 3.14Å; F117-V271 HydrophobicContact CB-CG2 4.36Å; A120-V271 HydrophobicContact CB-CG1 3.69Å; G269-V271 PolarHBondContact O-N 3.27Å; V271-A273 PolarHBondContact O-N 2.96Å; V271-L275 HydrophobicContact CG1-CB 4.26Å; V271-L275 HydrophobicContact CG1-CD1 4.42Å; V271-F276 HydrophobicContact CB-CE1 4.13Å; V271-F276 HydrophobicContact CG1-CD1 4.4Å; V271-F276 HydrophobicContact CG1-CE1 4.05Å; V271-F276 WeakPolarHBondContact O-CE1 3.46Å |
| 272 | P | 93.4 | Very high | 80.1 | Confident | 48 Ų | 48 | 75.4 Ų | 75.4 | 31% | 0.312 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 137.6 | 178.2 | -25 | 33.1 | 0 | 0 | 0 | 111.8 | Y89 P270 S274 L275 | Y89-P272 WeakPolarHBondContact OH-CD 3.39Å; Y89-P272 WeakPolarHBondContact OH-CG 3.41Å; P270-P272 WeakPolarHBondContact O-CD 3.19Å; P272-S274 PolarHBondContact O-N 2.8Å; P272-S274 VanDerWaalsContact O-N 3.12Å; P272-L275 HydrophobicContact CB-CG 4.46Å; P272-L275 HydrophobicContact CG-CD1 4.35Å; P272-L275 WeakPolarHBondContact O-CB 3.34Å; P272-L275 PolarHBondContact O-N 3.28Å |
| 273 | A | 89.2 | Confident | 77 | Confident | 72 Ų | 72 | 79.4 Ų | 79.4 | 60% | 0.595 | 43% | 0.434 | S | S | * | . | G | 310 helix | trans | -61.2 | -23.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V271 L275 F276 | V271-A273 PolarHBondContact O-N 2.96Å; A273-L275 PolarHBondContact O-N 2.9Å; A273-F276 HydrophobicContact CB-CD2 3.96Å; A273-F276 HydrophobicContact CB-CE2 3.82Å; A273-F276 HydrophobicContact CB-CZ 4.31Å; A273-F276 WeakPolarHBondContact O-CB 3.28Å; A273-F276 WeakPolarHBondContact O-CG 3.2Å; A273-F276 PolarHBondContact O-N 3.48Å; A273-F276 VanDerWaalsContact O-N 3.08Å |
| 274 | S | 89.8 | Confident | 73.7 | Confident | 112 Ų | 112 | 85 Ų | 85 | 78% | 0.783 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -63.9 | -20.5 | 173.6 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | P272 | P272-S274 PolarHBondContact O-N 2.8Å; P272-S274 VanDerWaalsContact O-N 3.12Å |
| 275 | L | 89.3 | Confident | 70.4 | Confident | 74 Ų | 74 | 84 Ų | 84 | 39% | 0.387 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -93.5 | -3.6 | 175.6 | -59.7 | -179.1 | 0 | 0 | 0 | 112.5 | V85 Y89 A120 V271 P272 A273 R277 | V85-L275 HydrophobicContact CG2-CD1 4.42Å; Y89-L275 HydrophobicContact CD2-CD1 4.33Å; Y89-L275 HydrophobicContact CE2-CD1 3.5Å; A120-L275 WeakPolarHBondContact CA-O 3.27Å; A120-L275 HydrophobicContact CB-CB 4.37Å; A120-L275 VanDerWaalsContact CB-O 3.32Å; A120-L275 WeakPolarHBondContact CB-O 3.41Å; V271-L275 HydrophobicContact CG1-CB 4.26Å; V271-L275 HydrophobicContact CG1-CD1 4.42Å; P272-L275 HydrophobicContact CB-CG 4.46Å; P272-L275 HydrophobicContact CG-CD1 4.35Å; P272-L275 WeakPolarHBondContact O-CB 3.34Å; P272-L275 PolarHBondContact O-N 3.28Å; A273-L275 PolarHBondContact O-N 2.9Å; L275-R277 PolarHBondContact O-N 2.92Å |
| 276 | F | 87 | Confident | 67.2 | Low | 63 Ų | 63 | 89 Ų | 89 | 28% | 0.276 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -66.7 | 131.8 | 177.9 | -65 | -8.7 | 0 | 0 | 0 | 109.1 | K119 A120 V271 A273 K278 | K119-F276 HydrophobicContact CB-CB 4.21Å; K119-F276 HydrophobicContact CB-CD1 3.67Å; K119-F276 HydrophobicContact CB-CD2 4.14Å; K119-F276 HydrophobicContact CB-CE1 4.03Å; K119-F276 HydrophobicContact CB-CE2 4.47Å; K119-F276 HydrophobicContact CB-CG 3.74Å; K119-F276 HydrophobicContact CB-CZ 4.42Å; K119-F276 HydrophobicContact CD-CD2 3.82Å; K119-F276 HydrophobicContact CD-CE1 4.36Å; K119-F276 HydrophobicContact CD-CE2 3.62Å; K119-F276 HydrophobicContact CD-CG 4.28Å; K119-F276 HydrophobicContact CD-CZ 3.92Å; A120-F276 HydrophobicContact CB-CD1 4.27Å; V271-F276 HydrophobicContact CB-CE1 4.13Å; V271-F276 HydrophobicContact CG1-CD1 4.4Å; V271-F276 HydrophobicContact CG1-CE1 4.05Å; V271-F276 WeakPolarHBondContact O-CE1 3.46Å; A273-F276 HydrophobicContact CB-CD2 3.96Å; A273-F276 HydrophobicContact CB-CE2 3.82Å; A273-F276 HydrophobicContact CB-CZ 4.31Å; A273-F276 WeakPolarHBondContact O-CB 3.28Å; A273-F276 WeakPolarHBondContact O-CG 3.2Å; A273-F276 PolarHBondContact O-N 3.48Å; A273-F276 VanDerWaalsContact O-N 3.08Å; F276-K278 PolarHBondContact O-N 3.34Å |
| 277 | R | 76.4 | Confident | 64 | Low | 66 Ų | 66 | 94.4 Ų | 94.4 | 25% | 0.249 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 132.5 | 174.6 | -63.1 | 174.2 | -62.6 | 153.2 | 1.4 | 107.5 | M118 K119 A120 T121 L275 K279 | M118-R277 PolarHBondContact O-NH2 2.99Å; K119-R277 WeakPolarHBondContact O-CB 3.37Å; K119-R277 PolarHBondContact O-N 3.34Å; K119-R277 PolarHBondContact O-NE 2.89Å; A120-R277 WeakPolarHBondContact O-CD 3.37Å; A120-R277 WeakPolarHBondContact O-CG 3.26Å; T121-R277 PolarHBondContact O-NE 3.41Å; T121-R277 PolarHBondContact O-NH2 3.19Å; L275-R277 PolarHBondContact O-N 2.92Å; R277-K279 PolarHBondContact O-N 2.86Å |
| 278 | K | 58.5 | Low | 60.7 | Low | 195 Ų | 195 | 98.4 Ų | 98.4 | 85% | 0.848 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 129.5 | 173.6 | -69.2 | -178.2 | 179.4 | 177.6 | 0 | 107.8 | F276 L280 | F276-K278 PolarHBondContact O-N 3.34Å; K278-L280 PolarHBondContact O-N 3.15Å |
| 279 | K | 45.3 | Very low | 57.5 | Low | 162 Ų | 162 | 106.2 Ų | 106.2 | 70% | 0.704 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 128.2 | 172.8 | -73 | -177.4 | 176 | -178.6 | 0 | 107.2 | R277 S281 | R277-K279 PolarHBondContact O-N 2.86Å; K279-S281 PolarHBondContact O-N 2.8Å; K279-S281 VanDerWaalsContact O-N 3.16Å |
| 280 | L | 39.2 | Very low | 54.3 | Low | 92 Ų | 92 | 115.2 Ų | 115.2 | 48% | 0.482 | 63% | 0.625 | S | S | . | * | G | 310 helix | trans | -66.4 | -6.5 | 170.7 | -84.7 | 126 | 0 | 0 | 0 | 112.6 | K278 D282 | K278-L280 PolarHBondContact O-N 3.15Å; L280-D282 VanDerWaalsContact C-N 3.32Å; L280-D282 PolarHBondContact O-N 3.38Å |
| 281 | S | 37.6 | Very low | 51 | Low | 59 Ų | 59 | 115 Ų | 115 | 41% | 0.413 | 63% | 0.626 | S | S | . | * | G | 310 helix | trans | -87 | 20.3 | -173.8 | 60.1 | 0 | 0 | 0 | 0 | 116 | K279 D283 | K279-S281 PolarHBondContact O-N 2.8Å; K279-S281 VanDerWaalsContact O-N 3.16Å; S281-D283 VanDerWaalsContact C-N 3.31Å |
| 282 | D | 36.3 | Very low | 47.8 | Very low | 148 Ų | 148 | 123.5 Ų | 123.5 | 79% | 0.791 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -82 | -6.3 | 171 | -74.1 | -20.5 | 0 | 0 | 0 | 113.4 | L280 | L280-D282 VanDerWaalsContact C-N 3.32Å; L280-D282 PolarHBondContact O-N 3.38Å |
| 283 | D | 28.5 | Very low | 44.7 | Very low | 150 Ų | 150 | 128.2 Ų | 128.2 | 80% | 0.802 | 69% | 0.693 | S | S | * | * | trans | -107.6 | 104.1 | 169.4 | -74.6 | -39.8 | 0 | 0 | 0 | 111.5 | S281 | S281-D283 VanDerWaalsContact C-N 3.31Š| ||
| 284 | K | 26.3 | Very low | 41.9 | Very low | 200 Ų | 200 | 127.8 Ų | 127.8 | 87% | 0.87 | 69% | 0.686 | S | S | * | * | trans | -84.1 | 137.1 | 166.9 | -82.8 | -179.1 | 178.3 | 174.3 | 0 | 109.8 | ||||
| 285 | P | 26.2 | Very low | 38.9 | Very low | 113 Ų | 113 | 130.9 Ų | 130.9 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | -128.9 | 136.5 | 124.3 | 23.3 | -6.8 | 0 | 0 | 0 | 112.3 | |||||
| 286 | S | 26.8 | Very low | 36.2 | Very low | 107 Ų | 107 | 132.3 Ų | 132.3 | 75% | 0.748 | 69% | 0.693 | S | S | * | * | trans | -87.5 | 129 | 177.2 | 47.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 287 | V | 27.4 | Very low | 33.7 | Very low | 140 Ų | 140 | 133.4 Ų | 133.4 | 85% | 0.848 | 70% | 0.704 | S | S | * | * | trans | -145.9 | 147.4 | 150.1 | -175.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 288 | S | 25.4 | Very low | 31.5 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | trans | -77 | 158.8 | -165.6 | 45.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 289 | K | 25.6 | Very low | 30.3 | Very low | 192 Ų | 192 | 137.8 Ų | 137.8 | 84% | 0.835 | 72% | 0.721 | S | S | * | * | trans | -56.9 | 147.8 | 175.9 | -65.6 | 170.2 | 175.8 | 174 | 0 | 114.4 | ||||
| 290 | Q | 24.6 | Very low | 29.8 | Very low | 200 Ų | 200 | 133.3 Ų | 133.3 | 94% | 0.935 | 70% | 0.701 | S | S | * | * | -149.4 | 160.1 | 128.2 | -111.1 | 172 | 7.9 | 0 | 0 | 110.7 | |||||
| 291 | S | 25.8 | Very low | 29.8 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | trans | -117.6 | 142.7 | -161.2 | 120.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 292 | E | 25.8 | Very low | 29.7 | Very low | 188 Ų | 188 | 133.1 Ų | 133.1 | 88% | 0.879 | 70% | 0.7 | S | S | * | * | -170.8 | 142.7 | 125.7 | -104.3 | 164.5 | -166.9 | 0 | 0 | 108.9 | |||||
| 293 | V | 26.8 | Very low | 29.6 | Very low | 148 Ų | 148 | 129.1 Ų | 129.1 | 90% | 0.897 | 68% | 0.683 | S | S | * | * | trans | -97.9 | 112.7 | -178.1 | 173.9 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 294 | S | 30.4 | Very low | 29.9 | Very low | 63 Ų | 63 | 125.8 Ų | 125.8 | 44% | 0.441 | 68% | 0.684 | S | S | . | * | trans | -92.4 | 151.3 | 171.9 | 76.1 | 0 | 0 | 0 | 0 | 111.2 | E296 | S294-E296 PolarHBondContact O-N 3.42Å; S294-E296 PolarHBondContact OG-OE2 2.87Å | ||
| 295 | E | 28.7 | Very low | 30.8 | Very low | 176 Ų | 176 | 122 Ų | 122 | 82% | 0.822 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -68.6 | 15.1 | 179.9 | -69.6 | -172.4 | 122 | 0 | 0 | 114.6 | ||
| 296 | E | 31 | Very low | 32 | Very low | 105 Ų | 105 | 121.8 Ų | 121.8 | 49% | 0.491 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -92.5 | -7.1 | -169 | -74 | 169.3 | 136.1 | 0 | 0 | 114.9 | S294 K298 R299 | S294-E296 PolarHBondContact O-N 3.42Å; S294-E296 PolarHBondContact OG-OE2 2.87Å; E296-K298 PolarHBondContact O-N 3.31Å; E296-R299 PolarHBondContact O-N 2.58Å |
| 297 | V | 34.6 | Very low | 33.5 | Very low | 86 Ų | 86 | 119 Ų | 119 | 52% | 0.521 | 63% | 0.634 | S | S | . | * | G | 310 helix | trans | -63.7 | -11.2 | 174.7 | -176.6 | 0 | 0 | 0 | 0 | 112.5 | R299 E338 | V297-R299 VanDerWaalsContact C-N 3.32Å; V297-R299 PolarHBondContact O-N 3.48Å; V297-E338 HydrophobicContact CG1-CG 4.38Å |
| 298 | K | 31.8 | Very low | 35.5 | Very low | 185 Ų | 185 | 115.6 Ų | 115.6 | 80% | 0.804 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -77.4 | -3.9 | 175.9 | -75.8 | 179.6 | 177.7 | 173 | 0 | 115.2 | E296 | E296-K298 PolarHBondContact O-N 3.31Š|
| 299 | R | 33.2 | Very low | 38.1 | Very low | 168 Ų | 168 | 113.9 Ų | 113.9 | 63% | 0.634 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -108 | 6.8 | -167.9 | -61.6 | -173.9 | -169.7 | 164.9 | 8.1 | 116.3 | E296 V297 | E296-R299 PolarHBondContact O-N 2.58Å; V297-R299 VanDerWaalsContact C-N 3.32Å; V297-R299 PolarHBondContact O-N 3.48Å |
| 300 | F | 34.5 | Very low | 40.8 | Very low | 67 Ų | 67 | 105.2 Ų | 105.2 | 29% | 0.294 | 56% | 0.557 | S | S | . | * | trans | -109.3 | 0.1 | -156.7 | -110.1 | -96 | 0 | 0 | 0 | 118.3 | I384 I461 | F300-I384 HydrophobicContact CD1-CD1 4.48Å; F300-I384 HydrophobicContact CE1-CD1 3.8Å; F300-I384 HydrophobicContact CE1-CG1 3.54Å; F300-I384 HydrophobicContact CZ-CG1 4.28Å; F300-I461 HydrophobicContact CD1-CD1 4.37Å; F300-I461 HydrophobicContact CE1-CD1 3.67Å; F300-I461 HydrophobicContact CE2-CD1 3.87Å; F300-I461 HydrophobicContact CZ-CD1 3.38Å; F300-I461 HydrophobicContact CZ-CG1 4.47Å | ||
| 301 | T | 38.8 | Very low | 43.6 | Very low | 101 Ų | 101 | 100.3 Ų | 100.3 | 62% | 0.62 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -97.4 | 9.3 | -171.4 | 50.8 | 0 | 0 | 0 | 0 | 115.9 | ||
| 302 | D | 34.9 | Very low | 46.3 | Very low | 47 Ų | 47 | 95.4 Ų | 95.4 | 25% | 0.251 | 50% | 0.5 | S | S | . | . | trans | -101 | 14.4 | -164.8 | -114.6 | 31.8 | 0 | 0 | 0 | 116.8 | G304 A468 C469 | D302-G304 PolarHBondContact O-N 3.28Å; D302-A468 PolarHBondContact OD2-N 3.08Å; D302-C469 WeakPolarHBondContact OD1-CA 3.48Å; D302-C469 WeakPolarHBondContact OD1-CB 3.38Å; D302-C469 PolarHBondContact OD1-N 2.87Å; D302-C469 PolarHBondContact OD2-N 3.39Å | ||
| 303 | C | 33.7 | Very low | 48.8 | Very low | 64 Ų | 64 | 87.3 Ų | 87.3 | 43% | 0.432 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -94.8 | 20.9 | -173.3 | 44.3 | 0 | 0 | 0 | 0 | 116.1 | R305 | C303-R305 PolarHBondContact O-N 3.41Š|
| 304 | G | 35.8 | Very low | 51.1 | Low | 80 Ų | 80 | 82.7 Ų | 82.7 | 83% | 0.825 | 44% | 0.44 | S | S | * | . | S | Bend | trans | 61.8 | 13.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116 | D302 | D302-G304 PolarHBondContact O-N 3.28Š|
| 305 | R | 44.8 | Very low | 53.3 | Low | 119 Ų | 119 | 82.9 Ų | 82.9 | 45% | 0.449 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -113.2 | 129.8 | 174.6 | -64.9 | -179.8 | -169.9 | 158.7 | 1.5 | 108.1 | C303 L307 | C303-R305 PolarHBondContact O-N 3.41Å; R305-L307 PolarHBondContact O-N 3.05Å |
| 306 | D | 51.2 | Low | 55.6 | Low | 109 Ų | 109 | 76.3 Ų | 76.3 | 58% | 0.583 | 42% | 0.419 | S | S | * | . | trans | -60.5 | 99.6 | 174.3 | -78.5 | -29.9 | 0 | 0 | 0 | 108.8 | K66 H416 | K66-D306 IonicContact NZ-OD2 3.93Å; K66-D306 PolarHBondContact NZ-OD2 2.63Å; D306-H416 PolarHBondContact O-ND1 2.86Å; D306-H416 VanDerWaalsContact O-ND1 3.09Å | ||
| 307 | L | 59.3 | Low | 58.1 | Low | 50 Ų | 50 | 74.4 Ų | 74.4 | 26% | 0.262 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -84 | 124.6 | 174.2 | -72.9 | 167.3 | 0 | 0 | 0 | 108.5 | R305 W414 Y415 H416 | R305-L307 PolarHBondContact O-N 3.05Å; L307-W414 HydrophobicContact CB-CB 4.48Å; L307-W414 HydrophobicContact CB-CE3 4.08Å; L307-Y415 CarbonylContact C-O 3.54Å; L307-Y415 WeakPolarHBondContact CA-O 3.46Å; L307-H416 HydrophobicContact CD2-CB 3.83Å |
| 308 | T | 69.6 | Low | 60.4 | Low | 67 Ų | 67 | 71.5 Ų | 71.5 | 41% | 0.411 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 126 | 174.2 | -57.6 | 0 | 0 | 0 | 0 | 109.1 | W414 Y415 | T308-W414 WeakPolarHBondContact O-CA 2.94Å; T308-Y415 HydrophobicContact CG2-CD1 4.46Å; T308-Y415 HydrophobicContact CG2-CE1 3.58Å; T308-Y415 PolarHBondContact N-O 2.81Å; T308-Y415 WeakPolarHBondContact O-CD1 2.88Å; T308-Y415 PolarHBondContact O-N 2.88Å |
| 309 | M | 80.1 | Confident | 62.9 | Low | 73 Ų | 73 | 63 Ų | 63 | 36% | 0.36 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 134.5 | 171 | -173 | -128.3 | 53.1 | 0 | 0 | 109.7 | R412 L413 W414 | M309-R412 PolarHBondContact SD-NH2 2.76Å; M309-L413 CarbonylContact C-O 3.51Å; M309-L413 WeakPolarHBondContact CA-O 3.48Å; M309-W414 HydrophobicContact CB-CD2 3.99Å; M309-W414 HydrophobicContact CB-CE3 3.74Å; M309-W414 HydrophobicContact CB-CH2 3.77Å; M309-W414 HydrophobicContact CB-CZ2 3.98Å; M309-W414 HydrophobicContact CB-CZ3 3.65Å; M309-W414 HydrophobicContact CG-CD2 4.25Å; M309-W414 HydrophobicContact CG-CE3 4.49Å; M309-W414 HydrophobicContact CG-CH2 4.24Å; M309-W414 HydrophobicContact CG-CZ2 3.95Å |
| 310 | V | 80.5 | Confident | 65.4 | Low | 10 Ų | 10 | 55.5 Ų | 55.5 | 6% | 0.061 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 133.5 | 173.1 | 68.4 | 0 | 0 | 0 | 0 | 110.1 | K318 L401 L413 Y415 | V310-K318 HydrophobicContact CG2-CB 4.45Å; V310-K318 HydrophobicContact CG2-CD 4Å; V310-K318 HydrophobicContact CG2-CG 3.64Å; V310-L401 HydrophobicContact CG1-CD1 3.57Å; V310-L413 HydrophobicContact CG1-CB 3.88Å; V310-L413 HydrophobicContact CG1-CD1 4.26Å; V310-L413 PolarHBondContact N-O 3.37Å; V310-L413 PolarHBondContact O-N 3.24Å; V310-Y415 HydrophobicContact CB-CD1 4.18Å; V310-Y415 HydrophobicContact CB-CE1 4Å; V310-Y415 HydrophobicContact CG1-CD1 3.76Å; V310-Y415 HydrophobicContact CG1-CE1 4.05Å |
| 311 | E | 83.3 | Confident | 67.5 | Low | 97 Ų | 97 | 53 Ų | 53 | 45% | 0.453 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.7 | 170.9 | -170.3 | 179 | 137.2 | 0 | 0 | 109.7 | S410 K411 R412 | E311-S410 WeakPolarHBondContact OE1-CB 3.42Å; E311-S410 PolarHBondContact OE1-OG 2.67Å; E311-K411 CarbonylContact C-O 3.58Å; E311-K411 WeakPolarHBondContact CA-O 3.41Å; E311-R412 HydrophobicContact CB-CG 4.38Å; E311-R412 HydrophobicContact CG-CG 4.09Å |
| 312 | V | 83.3 | Confident | 69.6 | Low | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 102.9 | 170.9 | -165.7 | 0 | 0 | 0 | 0 | 107.4 | K318 I342 L401 N403 S410 K411 L413 | V312-K318 HydrophobicContact CG1-CB 4.31Å; V312-K318 HydrophobicContact CG2-CB 3.79Å; V312-I342 HydrophobicContact CB-CD1 4.38Å; V312-I342 HydrophobicContact CG2-CD1 4.32Å; V312-L401 HydrophobicContact CG2-CB 3.85Å; V312-L401 HydrophobicContact CG2-CD1 4.14Å; V312-N403 HydrophobicContact CB-CB 4.07Å; V312-N403 HydrophobicContact CG1-CB 3.51Å; V312-N403 PolarHBondContact O-ND2 3.23Å; V312-S410 CarbonylContact O-C 3.6Å; V312-S410 WeakPolarHBondContact O-CA 3.35Å; V312-K411 PolarHBondContact N-O 2.81Å; V312-K411 PolarHBondContact O-N 2.7Å; V312-L413 HydrophobicContact CB-CD1 4.3Å; V312-L413 HydrophobicContact CG2-CD1 3.52Å |
| 313 | G | 77.8 | Confident | 71.4 | Confident | 18 Ų | 18 | 46.2 Ų | 46.2 | 19% | 0.186 | 27% | 0.274 | C | S | . | . | trans | -59.3 | 167.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S316 N403 | G313-S316 WeakPolarHBondContact CA-OG 3.48Å; G313-S316 PolarHBondContact N-OG 2.9Å; G313-S316 WeakPolarHBondContact O-CB 3.37Å; G313-S316 PolarHBondContact O-N 2.83Å; G313-S316 PolarHBondContact O-OG 2.96Å; G313-N403 PolarHBondContact O-ND2 2.92Å | ||
| 314 | P | 76.4 | Confident | 73.6 | Confident | 50 Ų | 50 | 45 Ų | 45 | 33% | 0.325 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 144.7 | 176.2 | -12 | 25 | 0 | 0 | 0 | 111.1 | S316 S406 | P314-S316 PolarHBondContact O-N 3.24Å; P314-S316 VanDerWaalsContact O-N 3.15Å; P314-S406 CarbonylContact C-O 3.6Å; P314-S406 VanDerWaalsContact CA-O 3.24Å; P314-S406 WeakPolarHBondContact CA-O 3.39Å; P314-S406 WeakPolarHBondContact CB-O 3.3Å |
| 315 | A | 75.1 | Confident | 75.8 | Confident | 67 Ų | 67 | 41.3 Ų | 41.3 | 55% | 0.554 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 33.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N403 S406 | A315-N403 PolarHBondContact N-O 2.89Å; A315-S406 PolarHBondContact N-O 2.81Å |
| 316 | S | 77.6 | Confident | 77.4 | Confident | 39 Ų | 39 | 36.7 Ų | 36.7 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 167.9 | -174.2 | 83.8 | 0 | 0 | 0 | 0 | 112.2 | G313 P314 N403 T404 | G313-S316 WeakPolarHBondContact CA-OG 3.48Å; G313-S316 PolarHBondContact N-OG 2.9Å; G313-S316 WeakPolarHBondContact O-CB 3.37Å; G313-S316 PolarHBondContact O-N 2.83Å; G313-S316 PolarHBondContact O-OG 2.96Å; P314-S316 PolarHBondContact O-N 3.24Å; P314-S316 VanDerWaalsContact O-N 3.15Å; S316-N403 CarbonylContact O-C 3.6Å; S316-N403 VanDerWaalsContact O-CA 3.3Å; S316-N403 WeakPolarHBondContact O-CA 3.35Å; S316-N403 WeakPolarHBondContact O-CB 3.16Å; S316-N403 PolarHBondContact O-N 2.8Å; S316-T404 PolarHBondContact O-N 2.69Å |
| 317 | R | 83.8 | Confident | 79 | Confident | 64 Ų | 64 | 35.9 Ų | 35.9 | 24% | 0.242 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 152.7 | 173.4 | 70.7 | -175.7 | -106.9 | 178.8 | 3.3 | 109 | D319 L401 | R317-D319 IonicContact CZ-OD1 3.26Å; R317-D319 IonicContact CZ-OD2 3.74Å; R317-D319 IonicContact NE-OD1 2.6Å; R317-D319 PolarHBondContact NE-OD1 2.88Å; R317-D319 IonicContact NE-OD2 3.63Å; R317-D319 PolarHBondContact NE-OD2 2.96Å; R317-D319 IonicContact NH2-OD1 2.7Å; R317-D319 PolarHBondContact NH2-OD1 2.84Å; R317-D319 IonicContact NH2-OD2 2.81Å; R317-D319 PolarHBondContact NH2-OD2 2.9Å; R317-L401 CarbonylContact C-O 3.45Å; R317-L401 VanDerWaalsContact CA-O 3.28Å; R317-L401 WeakPolarHBondContact CA-O 3.49Å |
| 318 | K | 83.5 | Confident | 80.2 | Confident | 26 Ų | 26 | 34.4 Ų | 34.4 | 11% | 0.113 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 130.8 | 170.3 | -168.8 | 86.5 | 170.4 | -174 | 0 | 108.3 | Q123 E180 V310 V312 L401 | Q123-K318 VanDerWaalsContact CD-NZ 3.26Å; Q123-K318 VanDerWaalsContact OE1-CE 3.28Å; E180-K318 IonicContact OE2-NZ 3.7Å; E180-K318 PolarHBondContact OE2-NZ 2.92Å; V310-K318 HydrophobicContact CG2-CB 4.45Å; V310-K318 HydrophobicContact CG2-CD 4Å; V310-K318 HydrophobicContact CG2-CG 3.64Å; V312-K318 HydrophobicContact CG1-CB 4.31Å; V312-K318 HydrophobicContact CG2-CB 3.79Å; K318-L401 HydrophobicContact CB-CB 4.42Å; K318-L401 PolarHBondContact N-O 3.36Å; K318-L401 PolarHBondContact O-N 3.17Å |
| 319 | D | 84.9 | Confident | 81 | Confident | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 119.2 | 177.8 | -63.5 | 21.1 | 0 | 0 | 0 | 106.7 | T122 A124 R317 | T122-D319 WeakPolarHBondContact CB-OD2 3.44Å; T122-D319 WeakPolarHBondContact CG2-OD2 3.36Å; A124-D319 HydrophobicContact CB-CB 3.73Å; R317-D319 IonicContact CZ-OD1 3.26Å; R317-D319 IonicContact CZ-OD2 3.74Å; R317-D319 IonicContact NE-OD1 2.6Å; R317-D319 PolarHBondContact NE-OD1 2.88Å; R317-D319 IonicContact NE-OD2 3.63Å; R317-D319 PolarHBondContact NE-OD2 2.96Å; R317-D319 IonicContact NH2-OD1 2.7Å; R317-D319 PolarHBondContact NH2-OD1 2.84Å; R317-D319 IonicContact NH2-OD2 2.81Å; R317-D319 PolarHBondContact NH2-OD2 2.9Å |
| 320 | I | 84 | Confident | 81.4 | Confident | 11 Ų | 11 | 31.3 Ų | 31.3 | 6% | 0.056 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 111 | 176.4 | -62.6 | 164.4 | 0 | 0 | 0 | 106.1 | I322 I398 L399 L401 Y415 L417 | I320-I322 PolarHBondContact O-N 3.47Å; I320-I398 WeakPolarHBondContact O-CA 3.38Å; I320-L399 HydrophobicContact CB-CB 4.29Å; I320-L399 HydrophobicContact CD1-CD2 4.38Å; I320-L399 PolarHBondContact N-O 3.05Å; I320-L399 PolarHBondContact O-N 2.76Å; I320-L401 HydrophobicContact CD1-CD1 3.64Å; I320-L401 HydrophobicContact CD1-CG 4.06Å; I320-Y415 HydrophobicContact CD1-CD1 3.76Å; I320-Y415 HydrophobicContact CD1-CD2 4.01Å; I320-Y415 HydrophobicContact CD1-CE1 3.6Å; I320-Y415 HydrophobicContact CD1-CE2 3.89Å; I320-Y415 HydrophobicContact CD1-CG 3.96Å; I320-Y415 HydrophobicContact CG1-CE1 4.3Å; I320-Y415 HydrophobicContact CG2-CE2 3.71Å; I320-L417 HydrophobicContact CG2-CD2 4Å |
| 321 | S | 80.1 | Confident | 81.8 | Confident | 15 Ų | 15 | 30.9 Ų | 30.9 | 11% | 0.105 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 125.1 | 174.7 | -172 | 0 | 0 | 0 | 0 | 109.5 | Q128 G323 | Q128-S321 PolarHBondContact OE1-OG 3.48Å; S321-G323 PolarHBondContact OG-N 3.33Å |
| 322 | I | 82.8 | Confident | 82 | Confident | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -26 | 169.2 | -54.4 | 165 | 0 | 0 | 0 | 109.2 | I320 V325 I331 L346 Y397 L399 L417 V419 | I320-I322 PolarHBondContact O-N 3.47Å; I322-V325 HydrophobicContact CG2-CG2 3.75Å; I322-I331 HydrophobicContact CD1-CD1 4.27Å; I322-I331 HydrophobicContact CD1-CG2 3.8Å; I322-I331 HydrophobicContact CG2-CD1 4.45Å; I322-I331 HydrophobicContact CG2-CG1 4.48Å; I322-I331 HydrophobicContact CG2-CG2 4.3Å; I322-L346 HydrophobicContact CD1-CD1 3.32Å; I322-Y397 WeakPolarHBondContact CB-O 3.11Å; I322-Y397 PolarHBondContact N-O 3.35Å; I322-L399 HydrophobicContact CD1-CB 4.28Å; I322-L417 HydrophobicContact CB-CD2 4.15Å; I322-L417 HydrophobicContact CD1-CD1 4.17Å; I322-L417 HydrophobicContact CG1-CD1 3.91Å; I322-L417 HydrophobicContact CG1-CD2 3.58Å; I322-L417 HydrophobicContact CG1-CG 4.3Å; I322-L417 HydrophobicContact CG2-CD2 4.27Å; I322-V419 HydrophobicContact CG2-CG2 3.45Å; I322-V419 VanDerWaalsContact CG2-CG2 3.45Å |
| 323 | G | 72.8 | Confident | 82.1 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 92.9 | -166 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S321 V396 Y397 | S321-G323 PolarHBondContact OG-N 3.33Å; G323-V396 WeakPolarHBondContact O-CA 3.37Å; G323-Y397 PolarHBondContact O-N 3.3Å |
| 324 | M | 78.6 | Confident | 82.4 | Confident | 39 Ų | 39 | 29.3 Ų | 29.3 | 19% | 0.192 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 127.7 | 174.4 | -174.8 | 61.1 | 65.3 | 0 | 0 | 109 | C79 G395 V396 | C79-M324 HydrophobicContact CB-CE 3.64Å; C79-M324 HydrophobicContact CB-CG 4.4Å; C79-M324 WeakPolarHBondContact SG-CE 3.48Å; C79-M324 VanDerWaalsContact SG-CG 3.54Å; M324-G395 WeakPolarHBondContact CA-O 3.49Å; M324-G395 VanDerWaalsContact SD-CA 3.54Å; M324-G395 VanDerWaalsContact SD-O 3.39Å; M324-V396 HydrophobicContact CE-CG2 3.66Å |
| 325 | V | 81.6 | Confident | 82.7 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 137.3 | 177.7 | -168.5 | 0 | 0 | 0 | 0 | 108.6 | I322 D329 I331 V391 S394 G395 Y397 V419 | I322-V325 HydrophobicContact CG2-CG2 3.75Å; V325-D329 HydrophobicContact CG1-CB 3.5Å; V325-D329 WeakPolarHBondContact CG1-OD2 3.35Å; V325-I331 HydrophobicContact CB-CD1 4.44Å; V325-I331 HydrophobicContact CG1-CD1 4.34Å; V325-I331 HydrophobicContact CG1-CG1 4.09Å; V325-I331 HydrophobicContact CG2-CD1 4.09Å; V325-I331 HydrophobicContact CG2-CG1 4.3Å; V325-V391 HydrophobicContact CB-CG2 4.23Å; V325-V391 HydrophobicContact CG1-CB 4.24Å; V325-V391 HydrophobicContact CG1-CG1 4.3Å; V325-V391 HydrophobicContact CG1-CG2 3.57Å; V325-S394 CarbonylContact O-C 3.49Å; V325-S394 WeakPolarHBondContact O-CA 3.49Å; V325-G395 PolarHBondContact N-O 3.35Å; V325-G395 PolarHBondContact O-N 3.48Å; V325-Y397 HydrophobicContact CB-CD2 3.85Å; V325-Y397 HydrophobicContact CB-CE2 4.23Å; V325-Y397 HydrophobicContact CG2-CD2 3.99Å; V325-Y397 HydrophobicContact CG2-CG 4.46Å; V325-V419 HydrophobicContact CG1-CG1 3.61Å; V325-V419 HydrophobicContact CG2-CG1 4.45Å; V325-V419 HydrophobicContact CG2-CG2 4.14Å |
| 326 | G | 79.3 | Confident | 82.6 | Confident | 22 Ų | 22 | 25 Ų | 25 | 23% | 0.227 | 14% | 0.139 | C | C | . | . | trans | -90.4 | 155.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G328 D329 V391 S394 | G326-G328 PolarHBondContact O-N 3.46Å; G326-D329 WeakPolarHBondContact CA-OD2 3.32Å; G326-D329 PolarHBondContact N-OD2 3.36Å; G326-D329 WeakPolarHBondContact O-CB 3.39Å; G326-D329 PolarHBondContact O-N 3.29Å; G326-D329 VanDerWaalsContact O-N 3.1Å; G326-V391 WeakPolarHBondContact O-CB 3.44Å; G326-V391 WeakPolarHBondContact O-CG1 3.24Å; G326-S394 WeakPolarHBondContact CA-OG 2.8Å | ||
| 327 | V | 85.1 | Confident | 82.3 | Confident | 93 Ų | 93 | 23.1 Ų | 23.1 | 56% | 0.564 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 127.4 | 170.2 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | E392 S394 | V327-E392 WeakPolarHBondContact CG2-O 3.48Å; V327-S394 WeakPolarHBondContact CG2-OG 3.35Å; V327-S394 PolarHBondContact N-OG 2.83Å |
| 328 | G | 83.7 | Confident | 81.4 | Confident | 18 Ų | 18 | 22.9 Ų | 22.9 | 19% | 0.186 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.2 | -19.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | G326 V391 K422 | G326-G328 PolarHBondContact O-N 3.46Å; G328-V391 PolarHBondContact N-O 3.06Å; G328-K422 WeakPolarHBondContact O-CB 3.41Å; G328-K422 WeakPolarHBondContact O-CD 3.34Å; G328-K422 WeakPolarHBondContact O-CE 3.07Å; G328-K422 WeakPolarHBondContact O-CG 3.37Å |
| 329 | D | 86.9 | Confident | 80.4 | Confident | 26 Ų | 26 | 23.7 Ų | 23.7 | 14% | 0.139 | 14% | 0.135 | C | C | . | . | trans | -67.4 | 158.8 | 175.1 | -58.6 | -16.6 | 0 | 0 | 0 | 110.7 | V325 G326 V391 V419 T420 | V325-D329 HydrophobicContact CG1-CB 3.5Å; V325-D329 WeakPolarHBondContact CG1-OD2 3.35Å; G326-D329 WeakPolarHBondContact CA-OD2 3.32Å; G326-D329 PolarHBondContact N-OD2 3.36Å; G326-D329 WeakPolarHBondContact O-CB 3.39Å; G326-D329 PolarHBondContact O-N 3.29Å; G326-D329 VanDerWaalsContact O-N 3.1Å; D329-V391 WeakPolarHBondContact O-CB 3.35Å; D329-V391 PolarHBondContact O-N 2.67Å; D329-V419 HydrophobicContact CB-CG1 3.91Å; D329-T420 WeakPolarHBondContact CA-O 3.28Å | ||
| 330 | E | 88.4 | Confident | 79.6 | Confident | 50 Ų | 50 | 27.3 Ų | 27.3 | 23% | 0.234 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 117.5 | 178.5 | -172.7 | 174.2 | -129.1 | 0 | 0 | 110.1 | K332 T388 F389 V419 T420 | E330-K332 HydrophobicContact CG-CG 4.3Å; E330-K332 WeakPolarHBondContact OE2-CE 3.35Å; E330-K332 IonicContact OE2-NZ 3.67Å; E330-K332 PolarHBondContact OE2-NZ 3.19Å; E330-T388 VanDerWaalsContact CD-CG2 3.49Å; E330-T388 HydrophobicContact CG-CG2 3.48Å; E330-T388 VanDerWaalsContact CG-CG2 3.48Å; E330-T388 WeakPolarHBondContact OE1-CG2 3.5Å; E330-F389 WeakPolarHBondContact CA-O 3.28Å; E330-V419 WeakPolarHBondContact O-CA 3.29Å; E330-T420 PolarHBondContact N-O 2.86Å; E330-T420 PolarHBondContact O-N 3.15Å; E330-T420 PolarHBondContact O-OG1 3.43Å |
| 331 | I | 88.5 | Confident | 79.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 124.4 | 174.4 | -56.3 | 171 | 0 | 0 | 0 | 107.5 | I322 V325 W333 L346 T388 F389 V391 Y397 L417 V419 | I322-I331 HydrophobicContact CD1-CD1 4.27Å; I322-I331 HydrophobicContact CD1-CG2 3.8Å; I322-I331 HydrophobicContact CG2-CD1 4.45Å; I322-I331 HydrophobicContact CG2-CG1 4.48Å; I322-I331 HydrophobicContact CG2-CG2 4.3Å; V325-I331 HydrophobicContact CB-CD1 4.44Å; V325-I331 HydrophobicContact CG1-CD1 4.34Å; V325-I331 HydrophobicContact CG1-CG1 4.09Å; V325-I331 HydrophobicContact CG2-CD1 4.09Å; V325-I331 HydrophobicContact CG2-CG1 4.3Å; I331-W333 HydrophobicContact CB-CZ3 4.5Å; I331-W333 HydrophobicContact CG2-CE3 3.91Å; I331-W333 HydrophobicContact CG2-CZ3 4.01Å; I331-L346 HydrophobicContact CD1-CD2 4.41Å; I331-T388 CarbonylContact O-C 3.4Å; I331-T388 VanDerWaalsContact O-CA 3.28Å; I331-T388 WeakPolarHBondContact O-CA 3.21Å; I331-F389 HydrophobicContact CB-CB 4.39Å; I331-F389 HydrophobicContact CD1-CD1 4.28Å; I331-F389 PolarHBondContact N-O 2.73Å; I331-F389 PolarHBondContact O-N 3.14Å; I331-V391 HydrophobicContact CD1-CG2 3.63Å; I331-V391 HydrophobicContact CG1-CG2 3.76Å; I331-Y397 HydrophobicContact CD1-CD1 3.54Å; I331-Y397 HydrophobicContact CD1-CD2 4.04Å; I331-Y397 HydrophobicContact CD1-CE1 4Å; I331-Y397 HydrophobicContact CD1-CE2 4.49Å; I331-Y397 HydrophobicContact CD1-CG 3.53Å; I331-L417 HydrophobicContact CG2-CD1 4Å; I331-V419 HydrophobicContact CG1-CG2 4.33Å |
| 332 | K | 87.8 | Confident | 79.5 | Confident | 50 Ų | 50 | 27.6 Ų | 27.6 | 22% | 0.217 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 136 | 173.4 | -65.5 | 174 | 179.9 | 151.6 | 0 | 110.1 | E330 W334 G387 T388 L417 S418 | E330-K332 HydrophobicContact CG-CG 4.3Å; E330-K332 WeakPolarHBondContact OE2-CE 3.35Å; E330-K332 IonicContact OE2-NZ 3.67Å; E330-K332 PolarHBondContact OE2-NZ 3.19Å; K332-W334 HydrophobicContact CB-CH2 3.55Å; K332-W334 HydrophobicContact CB-CZ2 4.3Å; K332-W334 HydrophobicContact CB-CZ3 3.65Å; K332-W334 HydrophobicContact CD-CH2 3.9Å; K332-W334 HydrophobicContact CD-CZ2 4.4Å; K332-W334 HydrophobicContact CG-CH2 4.3Å; K332-G387 WeakPolarHBondContact CA-O 3.37Å; K332-T388 HydrophobicContact CG-CG2 3.93Å; K332-L417 WeakPolarHBondContact O-CA 3.23Å; K332-S418 PolarHBondContact N-O 2.76Å; K332-S418 PolarHBondContact O-N 2.81Å |
| 333 | W | 86.4 | Confident | 79.7 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 146.9 | 168.8 | 61.6 | 94.9 | 0 | 0 | 0 | 111.5 | I331 L346 I373 Q386 G387 F389 L399 H416 L417 I456 | I331-W333 HydrophobicContact CB-CZ3 4.5Å; I331-W333 HydrophobicContact CG2-CE3 3.91Å; I331-W333 HydrophobicContact CG2-CZ3 4.01Å; W333-L346 HydrophobicContact CH2-CB 4.46Å; W333-L346 HydrophobicContact CH2-CD2 4.13Å; W333-L346 HydrophobicContact CZ3-CD1 4.44Å; W333-L346 HydrophobicContact CZ3-CD2 4.06Å; W333-I373 HydrophobicContact CH2-CD1 3.37Å; W333-I373 HydrophobicContact CZ2-CD1 3.89Å; W333-I373 HydrophobicContact CZ3-CD1 4.48Å; W333-Q386 CarbonylContact O-C 3.58Å; W333-Q386 VanDerWaalsContact O-CA 3.31Å; W333-Q386 WeakPolarHBondContact O-CA 3.29Å; W333-G387 VanDerWaalsContact CE2-CA 3.42Å; W333-G387 VanDerWaalsContact CZ2-CA 3.42Å; W333-G387 PolarHBondContact N-O 3.2Å; W333-G387 PolarHBondContact O-N 3.44Å; W333-F389 HydrophobicContact CH2-CB 4.16Å; W333-F389 HydrophobicContact CZ3-CB 4Å; W333-L399 HydrophobicContact CB-CD2 4.06Å; W333-L399 HydrophobicContact CD2-CD1 3.81Å; W333-L399 HydrophobicContact CE3-CD1 4.39Å; W333-L399 HydrophobicContact CG-CD1 3.97Å; W333-L399 HydrophobicContact CG-CD2 3.99Å; W333-L399 HydrophobicContact CZ2-CD1 4.41Å; W333-H416 CarbonylContact C-O 3.5Å; W333-H416 WeakPolarHBondContact CA-O 3.34Å; W333-L417 HydrophobicContact CB-CD1 4.01Å; W333-I456 HydrophobicContact CZ2-CG1 3.97Å |
| 334 | W | 82.7 | Confident | 80.5 | Confident | 33 Ų | 33 | 27.8 Ų | 27.8 | 13% | 0.125 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 137 | 168.1 | -62.9 | -95 | 0 | 0 | 0 | 107.3 | K332 I384 V385 Q386 Y415 H416 | K332-W334 HydrophobicContact CB-CH2 3.55Å; K332-W334 HydrophobicContact CB-CZ2 4.3Å; K332-W334 HydrophobicContact CB-CZ3 3.65Å; K332-W334 HydrophobicContact CD-CH2 3.9Å; K332-W334 HydrophobicContact CD-CZ2 4.4Å; K332-W334 HydrophobicContact CG-CH2 4.3Å; W334-I384 HydrophobicContact CB-CG2 4.17Å; W334-V385 CarbonylContact C-O 3.51Å; W334-V385 WeakPolarHBondContact CA-O 3.34Å; W334-Q386 VanDerWaalsContact NE1-CD 3.3Å; W334-Y415 CarbonylContact O-C 3.6Å; W334-Y415 WeakPolarHBondContact O-CA 3.43Å; W334-Y415 WeakPolarHBondContact O-CB 3.5Å; W334-H416 HydrophobicContact CB-CB 4.45Å; W334-H416 HydrophobicContact CE3-CB 4.09Å; W334-H416 AromaticContact CE3-CD2 3.43Å; W334-H416 VanDerWaalsContact CE3-CD2 3.43Å; W334-H416 AromaticContact CZ3-CD2 3.42Å; W334-H416 VanDerWaalsContact CZ3-CD2 3.42Å; W334-H416 WeakPolarHBondContact CZ3-CD2 3.16Å; W334-H416 PolarHBondContact N-O 3.5Å; W334-H416 PolarHBondContact O-N 3.49Å |
| 335 | L | 82.3 | Confident | 81.1 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 130.9 | -175.8 | -167.5 | 122.9 | 0 | 0 | 0 | 110.5 | I342 V344 I378 V385 L401 L413 W414 | L335-I342 HydrophobicContact CD2-CG2 3.79Å; L335-V344 HydrophobicContact CD2-CG2 4.08Å; L335-I378 HydrophobicContact CD2-CD1 3.83Å; L335-V385 PolarHBondContact N-O 2.82Å; L335-V385 PolarHBondContact O-N 3.25Å; L335-L401 HydrophobicContact CD1-CD1 4.17Å; L335-L401 HydrophobicContact CD1-CD2 3.48Å; L335-L401 VanDerWaalsContact CD1-CD2 3.48Å; L335-L401 HydrophobicContact CD1-CG 4.5Å; L335-L413 HydrophobicContact CD1-CD2 4.23Å; L335-L413 HydrophobicContact CD2-CD2 3.61Å; L335-L413 HydrophobicContact CG-CD2 4.13Å; L335-W414 WeakPolarHBondContact CA-O 3.37Å |
| 336 | S | 74.8 | Confident | 81.5 | Confident | 24 Ų | 24 | 25.9 Ų | 25.9 | 17% | 0.168 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 135.9 | 171.1 | 179.1 | 0 | 0 | 0 | 0 | 108.2 | L413 W414 | S336-L413 CarbonylContact O-C 3.54Å; S336-L413 WeakPolarHBondContact O-CA 3.12Å; S336-L413 WeakPolarHBondContact O-CB 2.93Å; S336-W414 PolarHBondContact N-O 3.25Å; S336-W414 PolarHBondContact O-N 2.77Å |
| 337 | C | 71.2 | Confident | 82 | Confident | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 125.1 | 178.8 | -174.2 | 0 | 0 | 0 | 0 | 107.8 | T339 I342 S380 H381 L413 | C337-T339 PolarHBondContact O-N 3.32Å; C337-T339 PolarHBondContact SG-O 3.08Å; C337-I342 HydrophobicContact CB-CG2 4.48Å; C337-S380 WeakPolarHBondContact CB-OG 3.14Å; C337-S380 PolarHBondContact N-O 3.25Å; C337-S380 VanDerWaalsContact N-O 3.16Å; C337-S380 PolarHBondContact N-OG 2.78Å; C337-S380 VanDerWaalsContact N-OG 3.1Å; C337-H381 WeakPolarHBondContact O-CA 3.22Å; C337-L413 HydrophobicContact CB-CD2 3.7Å; C337-L413 HydrophobicContact CB-CG 4Å |
| 338 | E | 63.6 | Low | 82 | Confident | 58 Ų | 58 | 21.7 Ų | 21.7 | 27% | 0.271 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -62.4 | -14.8 | 178 | -69.5 | -179 | 178.2 | 0 | 0 | 112.7 | V297 R412 W414 | V297-E338 HydrophobicContact CG1-CG 4.38Å; E338-R412 HydrophobicContact CB-CB 4.35Å; E338-R412 HydrophobicContact CG-CB 4.29Å; E338-R412 PolarHBondContact N-O 2.65Å; E338-R412 IonicContact OE1-CZ 3.3Å; E338-R412 IonicContact OE1-NH1 3.5Å; E338-R412 PolarHBondContact OE1-NH1 2.6Å; E338-R412 WeakPolarHBondContact OE2-CB 3.13Å; E338-R412 WeakPolarHBondContact OE2-CD 3.45Å; E338-R412 IonicContact OE2-CZ 2.83Å; E338-R412 IonicContact OE2-NE 3.69Å; E338-R412 IonicContact OE2-NH1 2.7Å; E338-R412 PolarHBondContact OE2-NH1 3.46Å; E338-W414 PolarHBondContact OE1-NE1 2.78Å |
| 339 | T | 63.2 | Low | 81.6 | Confident | 44 Ų | 44 | 21.5 Ų | 21.5 | 27% | 0.27 | 11% | 0.107 | S | C | . | . | S | Bend | trans | -138.4 | 174.6 | -171.7 | 63.2 | 0 | 0 | 0 | 0 | 110.9 | C337 | C337-T339 PolarHBondContact O-N 3.32Å; C337-T339 PolarHBondContact SG-O 3.08Å |
| 340 | H | 67.1 | Low | 80.6 | Confident | 81 Ų | 81 | 22.8 Ų | 22.8 | 38% | 0.375 | 11% | 0.114 | S | C | . | . | S | Bend | trans | -13.2 | 144.3 | 165.4 | -49.3 | 62.4 | 0 | 0 | 0 | 115.2 | K409 K411 | H340-K409 PolarHBondContact CE1-NZ 3.03Å; H340-K409 PolarHBondContact NE2-NZ 2.91Å; H340-K409 VanDerWaalsContact NE2-NZ 3.14Å; H340-K411 VanDerWaalsContact C-NZ 3.31Å; H340-K411 VanDerWaalsContact CB-NZ 3.31Å; H340-K411 PolarHBondContact O-NZ 2.55Å |
| 341 | D | 77.9 | Confident | 79 | Confident | 32 Ų | 32 | 23.3 Ų | 23.3 | 17% | 0.171 | 12% | 0.123 | C | C | . | . | trans | -15 | 127.3 | 168 | 55 | 6.5 | 0 | 0 | 0 | 119.2 | R377 I378 Y405 K411 | D341-R377 HydrophobicContact CB-CG 3.98Å; D341-R377 VanDerWaalsContact CG-NE 3.33Å; D341-R377 IonicContact OD1-NH2 2.92Å; D341-R377 IonicContact OD2-CZ 2.89Å; D341-R377 IonicContact OD2-NE 3.54Å; D341-R377 PolarHBondContact OD2-NE 2.89Å; D341-R377 IonicContact OD2-NH2 3.64Å; D341-R377 PolarHBondContact OD2-NH2 3.45Å; D341-I378 CarbonylContact C-O 3.49Å; D341-I378 WeakPolarHBondContact CA-O 3.37Å; D341-Y405 WeakPolarHBondContact O-CE2 3.46Å; D341-Y405 PolarHBondContact O-OH 2.94Å; D341-Y405 WeakPolarHBondContact OD1-CE2 3.28Å; D341-K411 WeakPolarHBondContact O-CD 3.18Å; D341-K411 WeakPolarHBondContact O-CE 3.48Å; D341-K411 PolarHBondContact O-NZ 3.08Å; D341-K411 IonicContact OD1-NZ 3.42Å; D341-K411 PolarHBondContact OD1-NZ 2.96Å | ||
| 342 | I | 85.1 | Confident | 77.1 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 147.2 | 166.8 | -173 | 73.5 | 0 | 0 | 0 | 108.1 | V312 L335 C337 V344 I378 L401 D402 N403 Y405 K411 L413 | V312-I342 HydrophobicContact CB-CD1 4.38Å; V312-I342 HydrophobicContact CG2-CD1 4.32Å; L335-I342 HydrophobicContact CD2-CG2 3.79Å; C337-I342 HydrophobicContact CB-CG2 4.48Å; I342-V344 HydrophobicContact CG1-CG2 4.37Å; I342-V344 HydrophobicContact CG2-CG2 3.83Å; I342-I378 HydrophobicContact CG2-CD1 3.98Å; I342-I378 HydrophobicContact CG2-CG1 3.75Å; I342-I378 PolarHBondContact N-O 3.4Å; I342-I378 WeakPolarHBondContact O-CG1 3.3Å; I342-I378 PolarHBondContact O-N 3.4Å; I342-L401 HydrophobicContact CD1-CB 4.31Å; I342-L401 HydrophobicContact CG1-CB 4.18Å; I342-D402 VanDerWaalsContact CD1-O 3.26Å; I342-D402 WeakPolarHBondContact CD1-O 3.23Å; I342-N403 HydrophobicContact CD1-CB 4.02Å; I342-Y405 WeakPolarHBondContact CA-OH 3.42Å; I342-Y405 PolarHBondContact N-OH 2.85Å; I342-K411 HydrophobicContact CB-CD 4.1Å; I342-K411 HydrophobicContact CD1-CB 4.35Å; I342-K411 HydrophobicContact CD1-CD 3.53Å; I342-K411 HydrophobicContact CG1-CD 4.42Å; I342-L413 HydrophobicContact CB-CD2 3.74Å; I342-L413 HydrophobicContact CD1-CD1 4.37Å; I342-L413 HydrophobicContact CD1-CD2 4.42Å; I342-L413 HydrophobicContact CG1-CD2 3.76Å; I342-L413 HydrophobicContact CG2-CD2 3.47Å; I342-L413 VanDerWaalsContact CG2-CD2 3.47Å |
| 343 | A | 87.6 | Confident | 74.8 | Confident | 10 Ų | 10 | 31.1 Ų | 31.1 | 8% | 0.083 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 130.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | M375 K376 R377 L401 D402 Y405 | A343-M375 HydrophobicContact CB-CE 3.65Å; A343-M375 WeakPolarHBondContact O-CE 3.25Å; A343-K376 WeakPolarHBondContact CA-O 3.44Å; A343-R377 HydrophobicContact CB-CB 4.4Å; A343-L401 CarbonylContact O-C 3.59Å; A343-L401 WeakPolarHBondContact O-CA 3.38Å; A343-D402 HydrophobicContact CB-CB 4.17Å; A343-D402 PolarHBondContact N-O 3.2Å; A343-D402 VanDerWaalsContact N-O 3.12Å; A343-D402 PolarHBondContact O-N 2.85Å; A343-Y405 HydrophobicContact CB-CE1 3.95Å; A343-Y405 PolarHBondContact N-OH 3.36Å |
| 344 | V | 89.9 | Confident | 72.3 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 136.2 | -177 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | L335 I342 M375 K376 I378 L399 V400 L401 | L335-V344 HydrophobicContact CD2-CG2 4.08Å; I342-V344 HydrophobicContact CG1-CG2 4.37Å; I342-V344 HydrophobicContact CG2-CG2 3.83Å; V344-M375 WeakPolarHBondContact O-CA 3.49Å; V344-K376 PolarHBondContact N-O 3.02Å; V344-K376 PolarHBondContact O-N 2.68Å; V344-I378 HydrophobicContact CB-CD1 3.86Å; V344-I378 HydrophobicContact CB-CG1 4.36Å; V344-I378 HydrophobicContact CG2-CD1 3.39Å; V344-I378 HydrophobicContact CG2-CG1 3.91Å; V344-L399 HydrophobicContact CG1-CD1 3.74Å; V344-L399 HydrophobicContact CG1-CG 4.27Å; V344-V400 VanDerWaalsContact CA-O 3.3Å; V344-V400 WeakPolarHBondContact CA-O 3.4Å; V344-L401 HydrophobicContact CB-CD2 4.44Å; V344-L401 HydrophobicContact CG1-CD2 4.17Å; V344-L401 HydrophobicContact CG2-CD2 3.59Å |
| 345 | G | 90 | Very high | 70 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 161.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | I373 M375 V400 | G345-I373 WeakPolarHBondContact CA-O 3.28Å; G345-M375 WeakPolarHBondContact CA-SD 3.3Å; G345-M375 PolarHBondContact N-SD 2.98Å; G345-V400 PolarHBondContact N-O 3.01Å; G345-V400 PolarHBondContact O-N 3.33Å |
| 346 | L | 90.4 | Very high | 67.9 | Low | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 128.7 | 179.5 | -174.3 | 73.2 | 0 | 0 | 0 | 108.6 | I322 I331 W333 M372 I373 F389 Y397 L399 | I322-L346 HydrophobicContact CD1-CD1 3.32Å; I331-L346 HydrophobicContact CD1-CD2 4.41Å; W333-L346 HydrophobicContact CH2-CB 4.46Å; W333-L346 HydrophobicContact CH2-CD2 4.13Å; W333-L346 HydrophobicContact CZ3-CD1 4.44Å; W333-L346 HydrophobicContact CZ3-CD2 4.06Å; L346-M372 HydrophobicContact CD2-CB 4.33Å; L346-M372 HydrophobicContact CG-CB 4.39Å; L346-M372 WeakPolarHBondContact O-CA 3.36Å; L346-M372 WeakPolarHBondContact O-CB 3.37Å; L346-M372 PolarHBondContact O-N 3.25Å; L346-I373 HydrophobicContact CB-CB 3.88Å; L346-I373 HydrophobicContact CB-CD1 4.09Å; L346-I373 HydrophobicContact CB-CG1 4.19Å; L346-I373 HydrophobicContact CD2-CD1 4.03Å; L346-I373 HydrophobicContact CD2-CG1 4.49Å; L346-I373 PolarHBondContact N-O 2.89Å; L346-I373 PolarHBondContact O-N 3.1Å; L346-F389 HydrophobicContact CD2-CB 3.36Å; L346-F389 HydrophobicContact CD2-CD1 3.6Å; L346-F389 HydrophobicContact CD2-CD2 3.89Å; L346-F389 HydrophobicContact CD2-CE1 4.42Å; L346-F389 HydrophobicContact CD2-CG 3.3Å; L346-Y397 HydrophobicContact CD1-CD1 4.35Å; L346-Y397 HydrophobicContact CD2-CD1 4.19Å; L346-Y397 HydrophobicContact CD2-CE1 4.44Å; L346-Y397 HydrophobicContact CG-CD1 4.16Å; L346-L399 HydrophobicContact CD1-CD1 4.44Å |
| 347 | F | 89 | Confident | 65.8 | Low | 18 Ų | 18 | 53.4 Ų | 53.4 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 150.5 | -178.7 | -62.8 | -100.8 | 0 | 0 | 0 | 110.7 | Y369 I370 E371 M375 Y397 I398 V400 | F347-Y369 HydrophobicContact CB-CD1 4.02Å; F347-Y369 HydrophobicContact CB-CG 4.44Å; F347-I370 CarbonylContact C-O 3.44Å; F347-I370 VanDerWaalsContact CA-O 3.31Å; F347-I370 WeakPolarHBondContact CA-O 3.08Å; F347-E371 HydrophobicContact CD1-CB 3.96Å; F347-E371 HydrophobicContact CD1-CG 4.23Å; F347-E371 HydrophobicContact CE1-CB 3.7Å; F347-E371 HydrophobicContact CE1-CG 3.68Å; F347-E371 HydrophobicContact CZ-CG 4.05Å; F347-M375 HydrophobicContact CE2-CG 3.88Å; F347-M375 HydrophobicContact CE2-SD 3.68Å; F347-M375 HydrophobicContact CZ-CG 3.69Å; F347-M375 HydrophobicContact CZ-SD 4.13Å; F347-Y397 CarbonylContact O-C 3.59Å; F347-Y397 WeakPolarHBondContact O-CA 3.49Å; F347-I398 HydrophobicContact CB-CD1 4.28Å; F347-I398 HydrophobicContact CB-CG1 3.79Å; F347-I398 PolarHBondContact N-O 2.8Å; F347-I398 PolarHBondContact O-N 2.82Å; F347-V400 HydrophobicContact CD2-CB 4.08Å; F347-V400 HydrophobicContact CD2-CG2 3.52Å; F347-V400 HydrophobicContact CE2-CB 3.99Å; F347-V400 HydrophobicContact CE2-CG2 3.87Å; F347-V400 HydrophobicContact CG-CG2 4.45Å |
| 348 | M | 86.5 | Confident | 64.3 | Low | 8 Ų | 8 | 58.1 Ų | 58.1 | 4% | 0.039 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 137.9 | 170.9 | -176.5 | -151.9 | -65.7 | 0 | 0 | 109 | N350 Y369 I370 M372 N393 V396 Y397 | M348-N350 PolarHBondContact O-N 3.46Å; M348-Y369 CarbonylContact O-C 3.43Å; M348-Y369 WeakPolarHBondContact O-CA 3.48Å; M348-I370 PolarHBondContact N-O 2.89Å; M348-I370 PolarHBondContact O-N 2.98Å; M348-M372 HydrophobicContact CB-CG 3.69Å; M348-M372 HydrophobicContact CB-SD 3.72Å; M348-M372 HydrophobicContact CE-CE 3.62Å; M348-M372 HydrophobicContact CE-SD 3.64Å; M348-M372 HydrophobicContact SD-SD 4.5Å; M348-N393 HydrophobicContact CE-CB 3.61Å; M348-N393 WeakPolarHBondContact CE-O 3.32Å; M348-N393 HydrophobicContact SD-CB 4.21Å; M348-V396 CarbonylContact C-O 3.57Å; M348-V396 WeakPolarHBondContact CA-O 3.44Å; M348-Y397 HydrophobicContact CB-CD1 4.2Å; M348-Y397 HydrophobicContact CB-CE1 4.04Å; M348-Y397 HydrophobicContact CE-CE1 4.08Å; M348-Y397 HydrophobicContact CE-CE2 3.97Å; M348-Y397 VanDerWaalsContact CE-CZ 3.41Å; M348-Y397 WeakPolarHBondContact CE-OH 3.42Å; M348-Y397 HydrophobicContact CG-CD2 4.38Å; M348-Y397 HydrophobicContact CG-CE1 4.43Å; M348-Y397 HydrophobicContact CG-CE2 4.06Å |
| 349 | K | 74.7 | Confident | 62.9 | Low | 15 Ų | 15 | 60 Ų | 60 | 7% | 0.065 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 126.6 | 169.4 | -170.3 | 178.8 | 178.8 | -176.6 | 0 | 109 | E81 C351 Y369 V396 | E81-K349 PolarHBondContact O-NZ 2.83Å; K349-C351 PolarHBondContact O-N 3.1Å; K349-C351 VanDerWaalsContact O-N 3.12Å; K349-Y369 HydrophobicContact CB-CD1 4.44Å; K349-Y369 HydrophobicContact CB-CE1 4.14Å; K349-V396 HydrophobicContact CB-CB 4.12Å; K349-V396 PolarHBondContact N-O 3.3Å |
| 350 | N | 66.4 | Low | 61.5 | Low | 52 Ų | 52 | 63.2 Ų | 63.2 | 28% | 0.278 | 37% | 0.369 | S | S | . | . | trans | -66.9 | 110.7 | 177.7 | -172.4 | 5.1 | 0 | 0 | 0 | 110.3 | M348 I352 T368 I370 | M348-N350 PolarHBondContact O-N 3.46Å; N350-I352 WeakPolarHBondContact OD1-CG1 3.44Å; N350-T368 WeakPolarHBondContact CB-O 3.42Å; N350-T368 PolarHBondContact N-O 2.95Å; N350-I370 HydrophobicContact CB-CD1 4.01Å; N350-I370 HydrophobicContact CB-CG1 3.92Å | ||
| 351 | C | 54.2 | Low | 59.8 | Low | 62 Ų | 62 | 65.3 Ų | 65.3 | 42% | 0.419 | 38% | 0.383 | S | S | . | . | trans | -106.4 | 92.4 | 168.8 | -60.4 | 0 | 0 | 0 | 0 | 107.8 | K349 T353 | K349-C351 PolarHBondContact O-N 3.1Å; K349-C351 VanDerWaalsContact O-N 3.12Å; C351-T353 PolarHBondContact O-N 3.01Å | ||
| 352 | I | 48.6 | Very low | 57.8 | Low | 105 Ų | 105 | 69.6 Ų | 69.6 | 54% | 0.538 | 42% | 0.416 | S | S | . | . | trans | -68.2 | 106 | 175.1 | -57.2 | 176.1 | 0 | 0 | 0 | 107.9 | N350 | N350-I352 WeakPolarHBondContact OD1-CG1 3.44Š| ||
| 353 | T | 38.4 | Very low | 55.7 | Low | 109 Ų | 109 | 74.5 Ų | 74.5 | 67% | 0.669 | 45% | 0.45 | S | S | * | . | trans | -100.3 | 95.9 | 170.9 | 45.1 | 0 | 0 | 0 | 0 | 109.5 | C351 | C351-T353 PolarHBondContact O-N 3.01Š| ||
| 354 | N | 34.9 | Very low | 53.3 | Low | 108 Ų | 108 | 78.2 Ų | 78.2 | 58% | 0.578 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -87.8 | 109.6 | 163.1 | -87.7 | -18.1 | 0 | 0 | 0 | 108.9 | G356 K357 | N354-G356 PolarHBondContact O-N 3.36Å; N354-K357 PolarHBondContact O-N 3.36Å |
| 355 | N | 33.4 | Very low | 51 | Low | 171 Ų | 171 | 82 Ų | 82 | 91% | 0.914 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.5 | 51.4 | 168.1 | -71.9 | -11.3 | 0 | 0 | 0 | 115.9 | K357 | N355-K357 PolarHBondContact O-N 3.1Å; N355-K357 VanDerWaalsContact O-N 3.1Å |
| 356 | G | 38.4 | Very low | 48.7 | Very low | 81 Ų | 81 | 86.4 Ų | 86.4 | 84% | 0.835 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 11.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | N354 | N354-G356 PolarHBondContact O-N 3.36Š|
| 357 | K | 31.9 | Very low | 46.8 | Very low | 167 Ų | 167 | 88.2 Ų | 88.2 | 73% | 0.726 | 54% | 0.537 | S | S | * | . | trans | -127.7 | 115.7 | 170.1 | -94.7 | -180 | 174.5 | 176.7 | 0 | 110.1 | N354 N355 T359 | N354-K357 PolarHBondContact O-N 3.36Å; N355-K357 PolarHBondContact O-N 3.1Å; N355-K357 VanDerWaalsContact O-N 3.1Å; K357-T359 PolarHBondContact O-N 2.93Å; K357-T359 VanDerWaalsContact O-N 3.1Å | ||
| 358 | V | 38.5 | Very low | 45.6 | Very low | 99 Ų | 99 | 90.9 Ų | 90.9 | 60% | 0.6 | 55% | 0.554 | S | S | * | * | trans | -59.5 | 112.9 | 168.3 | -179 | 0 | 0 | 0 | 0 | 107.7 | E81 | E81-V358 WeakPolarHBondContact OE1-CG1 3.44Š| ||
| 359 | T | 35 | Very low | 45 | Very low | 97 Ų | 97 | 92.6 Ų | 92.6 | 60% | 0.595 | 56% | 0.56 | S | S | * | * | trans | -116.1 | 113 | 172.6 | 41.2 | 0 | 0 | 0 | 0 | 107.6 | K357 D361 | K357-T359 PolarHBondContact O-N 2.93Å; K357-T359 VanDerWaalsContact O-N 3.1Å; T359-D361 VanDerWaalsContact C-N 3.35Å; T359-D361 PolarHBondContact O-N 3.26Å; T359-D361 VanDerWaalsContact O-N 3.08Å | ||
| 360 | S | 33 | Very low | 45.3 | Very low | 112 Ų | 112 | 95.3 Ų | 95.3 | 78% | 0.783 | 58% | 0.575 | S | S | * | * | trans | -78.5 | 83.5 | 175.4 | 46.4 | 0 | 0 | 0 | 0 | 109.6 | S362 | S360-S362 PolarHBondContact O-N 2.91Š| ||
| 361 | D | 33 | Very low | 46.3 | Very low | 125 Ų | 125 | 97.4 Ų | 97.4 | 67% | 0.668 | 58% | 0.583 | S | S | * | * | trans | -70.8 | 104.2 | 171 | -129.7 | -3.3 | 0 | 0 | 0 | 109 | T359 S363 | T359-D361 VanDerWaalsContact C-N 3.35Å; T359-D361 PolarHBondContact O-N 3.26Å; T359-D361 VanDerWaalsContact O-N 3.08Å; D361-S363 PolarHBondContact O-N 3.43Å | ||
| 362 | S | 35.8 | Very low | 47.9 | Very low | 123 Ų | 123 | 96.5 Ų | 96.5 | 86% | 0.86 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 1.4 | -169.5 | 60.8 | 0 | 0 | 0 | 0 | 116 | S360 | S360-S362 PolarHBondContact O-N 2.91Š|
| 363 | S | 40.6 | Very low | 49.7 | Very low | 102 Ų | 102 | 92.2 Ų | 92.2 | 71% | 0.713 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -9.1 | -175 | 51.4 | 0 | 0 | 0 | 0 | 115.2 | D361 | D361-S363 PolarHBondContact O-N 3.43Š|
| 364 | T | 36.9 | Very low | 51.9 | Low | 89 Ų | 89 | 89.8 Ų | 89.8 | 55% | 0.546 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -124.6 | 126.7 | 172.7 | 28.4 | 0 | 0 | 0 | 0 | 108.2 | P366 | T364-P366 WeakPolarHBondContact O-CD 3.47Š|
| 365 | S | 41.3 | Very low | 54.3 | Low | 80 Ų | 80 | 86.9 Ų | 86.9 | 56% | 0.559 | 53% | 0.526 | S | S | * | . | trans | -46.3 | 110.3 | 176.5 | 167.3 | 0 | 0 | 0 | 0 | 110.1 | D367 T368 | S365-D367 PolarHBondContact O-N 3.39Å; S365-T368 PolarHBondContact O-OG1 3.03Å | ||
| 366 | P | 41.3 | Very low | 56.6 | Low | 92 Ų | 92 | 83.4 Ų | 83.4 | 60% | 0.597 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -65.1 | -10.2 | -176.4 | 24.1 | -31.5 | 0 | 0 | 0 | 112.6 | T364 T368 | T364-P366 WeakPolarHBondContact O-CD 3.47Å; P366-T368 PolarHBondContact O-N 3.11Å |
| 367 | D | 51.1 | Low | 58.8 | Low | 38 Ų | 38 | 85.2 Ų | 85.2 | 20% | 0.203 | 48% | 0.484 | C | S | . | . | trans | -101.1 | 52.9 | -178.4 | -58.3 | -44.4 | 0 | 0 | 0 | 111.7 | S365 | S365-D367 PolarHBondContact O-N 3.39Š| ||
| 368 | T | 63.4 | Low | 60.9 | Low | 73 Ų | 73 | 77.7 Ų | 77.7 | 45% | 0.448 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -98.4 | 126.4 | 173.6 | -41.3 | 0 | 0 | 0 | 0 | 109.5 | N350 S365 P366 | N350-T368 WeakPolarHBondContact CB-O 3.42Å; N350-T368 PolarHBondContact N-O 2.95Å; S365-T368 PolarHBondContact O-OG1 3.03Å; P366-T368 PolarHBondContact O-N 3.11Å |
| 369 | Y | 73.8 | Confident | 62.4 | Low | 44 Ų | 44 | 76.1 Ų | 76.1 | 17% | 0.173 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 129.6 | 172.1 | -76 | -83.9 | 0 | 0 | 0 | 109.7 | T122 E125 F347 M348 K349 I398 | T122-Y369 HydrophobicContact CG2-CE2 3.98Å; E125-Y369 WeakPolarHBondContact CG-OH 3.28Å; E125-Y369 WeakPolarHBondContact OE1-CE2 3.43Å; E125-Y369 PolarHBondContact OE1-OH 2.91Å; F347-Y369 HydrophobicContact CB-CD1 4.02Å; F347-Y369 HydrophobicContact CB-CG 4.44Å; M348-Y369 CarbonylContact O-C 3.43Å; M348-Y369 WeakPolarHBondContact O-CA 3.48Å; K349-Y369 HydrophobicContact CB-CD1 4.44Å; K349-Y369 HydrophobicContact CB-CE1 4.14Å; Y369-I398 HydrophobicContact CD1-CD1 3.65Å; Y369-I398 HydrophobicContact CD1-CG1 4.03Å; Y369-I398 HydrophobicContact CE1-CD1 3.25Å; Y369-I398 HydrophobicContact CE1-CG1 3.75Å; Y369-I398 HydrophobicContact CE1-CG2 4.33Å; Y369-I398 HydrophobicContact CE2-CD1 4.33Å; Y369-I398 HydrophobicContact CG-CD1 4.33Å |
| 370 | I | 82 | Confident | 63.7 | Low | 73 Ų | 73 | 71.5 Ų | 71.5 | 37% | 0.374 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 124.1 | 169.7 | -53.4 | 176.3 | 0 | 0 | 0 | 106.9 | F347 M348 N350 M372 | F347-I370 CarbonylContact C-O 3.44Å; F347-I370 VanDerWaalsContact CA-O 3.31Å; F347-I370 WeakPolarHBondContact CA-O 3.08Å; M348-I370 PolarHBondContact N-O 2.89Å; M348-I370 PolarHBondContact O-N 2.98Å; N350-I370 HydrophobicContact CB-CD1 4.01Å; N350-I370 HydrophobicContact CB-CG1 3.92Å; I370-M372 HydrophobicContact CB-SD 4.28Å; I370-M372 HydrophobicContact CG2-SD 3.94Å; I370-M372 PolarHBondContact O-N 2.98Å |
| 371 | E | 86 | Confident | 65 | Low | 96 Ų | 96 | 70.3 Ų | 70.3 | 45% | 0.449 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 114.4 | 174.7 | -170 | 170.9 | -123 | 0 | 0 | 108.9 | F347 A374 M375 | F347-E371 HydrophobicContact CD1-CB 3.96Å; F347-E371 HydrophobicContact CD1-CG 4.23Å; F347-E371 HydrophobicContact CE1-CB 3.7Å; F347-E371 HydrophobicContact CE1-CG 3.68Å; F347-E371 HydrophobicContact CZ-CG 4.05Å; E371-A374 VanDerWaalsContact CD-CA 3.41Å; E371-A374 HydrophobicContact CG-CB 4.48Å; E371-A374 WeakPolarHBondContact OE1-CA 3.4Å; E371-M375 PolarHBondContact OE1-N 2.87Å |
| 372 | M | 88.3 | Confident | 65.9 | Low | 42 Ų | 42 | 71.3 Ų | 71.3 | 21% | 0.207 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -41 | 179.7 | -54.3 | -56 | -58.6 | 0 | 0 | 110.3 | L346 M348 I370 F389 Y397 | L346-M372 HydrophobicContact CD2-CB 4.33Å; L346-M372 HydrophobicContact CG-CB 4.39Å; L346-M372 WeakPolarHBondContact O-CA 3.36Å; L346-M372 WeakPolarHBondContact O-CB 3.37Å; L346-M372 PolarHBondContact O-N 3.25Å; M348-M372 HydrophobicContact CB-CG 3.69Å; M348-M372 HydrophobicContact CB-SD 3.72Å; M348-M372 HydrophobicContact CE-CE 3.62Å; M348-M372 HydrophobicContact CE-SD 3.64Å; M348-M372 HydrophobicContact SD-SD 4.5Å; I370-M372 HydrophobicContact CB-SD 4.28Å; I370-M372 HydrophobicContact CG2-SD 3.94Å; I370-M372 PolarHBondContact O-N 2.98Å; M372-F389 HydrophobicContact CB-CE1 4.45Å; M372-F389 HydrophobicContact CB-CE2 3.92Å; M372-F389 HydrophobicContact CB-CZ 3.92Å; M372-F389 HydrophobicContact CE-CE1 4.02Å; M372-F389 HydrophobicContact CE-CE2 4.21Å; M372-F389 HydrophobicContact CE-CZ 3.36Å; M372-F389 HydrophobicContact CG-CZ 4.44Å; M372-Y397 HydrophobicContact CB-CE1 4.47Å; M372-Y397 HydrophobicContact CE-CE1 4.49Å; M372-Y397 HydrophobicContact CG-CD1 4.35Å; M372-Y397 HydrophobicContact CG-CE1 3.8Å |
| 373 | I | 86.3 | Confident | 67.1 | Low | 15 Ų | 15 | 70.9 Ų | 70.9 | 8% | 0.077 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 123.8 | 168 | -64.3 | 168.9 | 0 | 0 | 0 | 107.7 | W333 G345 L346 F389 I456 | W333-I373 HydrophobicContact CH2-CD1 3.37Å; W333-I373 HydrophobicContact CZ2-CD1 3.89Å; W333-I373 HydrophobicContact CZ3-CD1 4.48Å; G345-I373 WeakPolarHBondContact CA-O 3.28Å; L346-I373 HydrophobicContact CB-CB 3.88Å; L346-I373 HydrophobicContact CB-CD1 4.09Å; L346-I373 HydrophobicContact CB-CG1 4.19Å; L346-I373 HydrophobicContact CD2-CD1 4.03Å; L346-I373 HydrophobicContact CD2-CG1 4.49Å; L346-I373 PolarHBondContact N-O 2.89Å; L346-I373 PolarHBondContact O-N 3.1Å; I373-F389 HydrophobicContact CD1-CB 4.05Å; I373-F389 HydrophobicContact CD1-CD2 3.81Å; I373-F389 HydrophobicContact CD1-CG 4.3Å; I373-F389 HydrophobicContact CG1-CD2 3.9Å; I373-F389 HydrophobicContact CG1-CE2 4.48Å; I373-I456 HydrophobicContact CG2-CD1 3.73Å; I373-I456 HydrophobicContact CG2-CG1 3.98Å |
| 374 | A | 85.6 | Confident | 68.3 | Low | 58 Ų | 58 | 67.8 Ų | 67.8 | 48% | 0.479 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 143 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E371 K376 | E371-A374 VanDerWaalsContact CD-CA 3.41Å; E371-A374 HydrophobicContact CG-CB 4.48Å; E371-A374 WeakPolarHBondContact OE1-CA 3.4Å; A374-K376 PolarHBondContact O-N 3.15Å |
| 375 | M | 84.7 | Confident | 70 | Confident | 47 Ų | 47 | 63.5 Ų | 63.5 | 23% | 0.232 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 112.5 | 175.2 | -73.8 | -68.3 | -66.7 | 0 | 0 | 110.6 | A343 V344 G345 F347 E371 V400 D402 | A343-M375 HydrophobicContact CB-CE 3.65Å; A343-M375 WeakPolarHBondContact O-CE 3.25Å; V344-M375 WeakPolarHBondContact O-CA 3.49Å; G345-M375 WeakPolarHBondContact CA-SD 3.3Å; G345-M375 PolarHBondContact N-SD 2.98Å; F347-M375 HydrophobicContact CE2-CG 3.88Å; F347-M375 HydrophobicContact CE2-SD 3.68Å; F347-M375 HydrophobicContact CZ-CG 3.69Å; F347-M375 HydrophobicContact CZ-SD 4.13Å; E371-M375 PolarHBondContact OE1-N 2.87Å; M375-V400 HydrophobicContact CE-CG1 4.15Å; M375-V400 HydrophobicContact SD-CB 4.08Å; M375-V400 HydrophobicContact SD-CG1 4.07Å; M375-D402 HydrophobicContact CE-CB 3.3Å |
| 376 | K | 82.9 | Confident | 72 | Confident | 98 Ų | 98 | 61.8 Ų | 61.8 | 43% | 0.426 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 123.9 | 178.6 | -162.2 | 173.8 | -176 | 177.5 | 0 | 109.2 | A343 V344 A374 I378 D455 I456 | A343-K376 WeakPolarHBondContact CA-O 3.44Å; V344-K376 PolarHBondContact N-O 3.02Å; V344-K376 PolarHBondContact O-N 2.68Å; A374-K376 PolarHBondContact O-N 3.15Å; K376-I378 HydrophobicContact CB-CG2 4.39Å; K376-I378 HydrophobicContact CG-CG2 4.28Å; K376-I378 PolarHBondContact O-N 3.28Å; K376-D455 IonicContact NZ-OD1 3.4Å; K376-I456 HydrophobicContact CB-CD1 4.31Å |
| 377 | R | 82.7 | Confident | 74 | Confident | 119 Ų | 119 | 57.4 Ų | 57.4 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 111.8 | 173 | -166.4 | 165.4 | 176.6 | 179.6 | -2.7 | 108.8 | D341 A343 Y405 | D341-R377 HydrophobicContact CB-CG 3.98Å; D341-R377 VanDerWaalsContact CG-NE 3.33Å; D341-R377 IonicContact OD1-NH2 2.92Å; D341-R377 IonicContact OD2-CZ 2.89Å; D341-R377 IonicContact OD2-NE 3.54Å; D341-R377 PolarHBondContact OD2-NE 2.89Å; D341-R377 IonicContact OD2-NH2 3.64Å; D341-R377 PolarHBondContact OD2-NH2 3.45Å; A343-R377 HydrophobicContact CB-CB 4.4Å; R377-Y405 VanDerWaalsContact NH2-CD2 3.26Å |
| 378 | I | 77.3 | Confident | 75.7 | Confident | 9 Ų | 9 | 56.3 Ų | 56.3 | 5% | 0.046 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 125.7 | -174.1 | 53.5 | 166.3 | 0 | 0 | 0 | 110.1 | L335 D341 I342 V344 K376 S380 V385 I456 | L335-I378 HydrophobicContact CD2-CD1 3.83Å; D341-I378 CarbonylContact C-O 3.49Å; D341-I378 WeakPolarHBondContact CA-O 3.37Å; I342-I378 HydrophobicContact CG2-CD1 3.98Å; I342-I378 HydrophobicContact CG2-CG1 3.75Å; I342-I378 PolarHBondContact N-O 3.4Å; I342-I378 WeakPolarHBondContact O-CG1 3.3Å; I342-I378 PolarHBondContact O-N 3.4Å; V344-I378 HydrophobicContact CB-CD1 3.86Å; V344-I378 HydrophobicContact CB-CG1 4.36Å; V344-I378 HydrophobicContact CG2-CD1 3.39Å; V344-I378 HydrophobicContact CG2-CG1 3.91Å; K376-I378 HydrophobicContact CB-CG2 4.39Å; K376-I378 HydrophobicContact CG-CG2 4.28Å; K376-I378 PolarHBondContact O-N 3.28Å; I378-S380 PolarHBondContact O-N 3.33Å; I378-V385 HydrophobicContact CB-CG2 4.21Å; I378-V385 HydrophobicContact CD1-CB 3.77Å; I378-V385 HydrophobicContact CD1-CG1 3.55Å; I378-V385 HydrophobicContact CD1-CG2 3.82Å; I378-V385 HydrophobicContact CG2-CG1 4.37Å; I378-I456 HydrophobicContact CG2-CG2 4.27Å |
| 379 | S | 69.6 | Low | 77 | Confident | 67 Ų | 67 | 53.1 Ų | 53.1 | 47% | 0.469 | 26% | 0.26 | S | S | . | . | trans | -87.4 | 96 | 167.1 | -107 | 0 | 0 | 0 | 0 | 108.7 | H381 | S379-H381 PolarHBondContact OG-CE1 2.89Š| ||
| 380 | S | 63.4 | Low | 77.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -105.2 | 23.6 | -177.2 | 65.7 | 0 | 0 | 0 | 0 | 113.3 | C337 I378 E382 K383 | C337-S380 WeakPolarHBondContact CB-OG 3.14Å; C337-S380 PolarHBondContact N-O 3.25Å; C337-S380 VanDerWaalsContact N-O 3.16Å; C337-S380 PolarHBondContact N-OG 2.78Å; C337-S380 VanDerWaalsContact N-OG 3.1Å; I378-S380 PolarHBondContact O-N 3.33Å; S380-E382 VanDerWaalsContact C-N 3.34Å; S380-K383 CarbonylContact C-O 3.5Å; S380-K383 WeakPolarHBondContact CA-O 3.49Å; S380-K383 WeakPolarHBondContact CB-O 3.32Å | ||
| 381 | H | 58.7 | Low | 78.2 | Confident | 86 Ų | 86 | 48.7 Ų | 48.7 | 40% | 0.398 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -80 | -16 | 179.5 | 61.9 | -77 | 0 | 0 | 0 | 113.9 | C337 S379 | C337-H381 WeakPolarHBondContact O-CA 3.22Å; S379-H381 PolarHBondContact OG-CE1 2.89Å |
| 382 | E | 52.6 | Low | 78.2 | Confident | 146 Ų | 146 | 50.1 Ų | 50.1 | 68% | 0.682 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -123.6 | -4.5 | 176.4 | -66.7 | 177.7 | 170.9 | 0 | 0 | 112.8 | S380 | S380-E382 VanDerWaalsContact C-N 3.34Š|
| 383 | K | 61.4 | Low | 78 | Confident | 114 Ų | 114 | 52.3 Ų | 52.3 | 50% | 0.496 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -145.4 | 139.7 | -171 | -57.5 | -177.2 | -176.3 | 179.6 | 0 | 110.6 | S380 V385 V458 | S380-K383 CarbonylContact C-O 3.5Å; S380-K383 WeakPolarHBondContact CA-O 3.49Å; S380-K383 WeakPolarHBondContact CB-O 3.32Å; K383-V385 PolarHBondContact O-N 3.23Å; K383-V458 HydrophobicContact CB-CG1 3.29Å; K383-V458 HydrophobicContact CD-CG1 3.42Å; K383-V458 VanDerWaalsContact CD-CG1 3.42Å; K383-V458 HydrophobicContact CG-CG1 3.95Å |
| 384 | I | 65.7 | Low | 77.8 | Confident | 37 Ų | 37 | 55 Ų | 55 | 19% | 0.19 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 130 | 170.1 | -60.9 | 178.6 | 0 | 0 | 0 | 107.6 | F300 W334 I459 I461 | F300-I384 HydrophobicContact CD1-CD1 4.48Å; F300-I384 HydrophobicContact CE1-CD1 3.8Å; F300-I384 HydrophobicContact CE1-CG1 3.54Å; F300-I384 HydrophobicContact CZ-CG1 4.28Å; W334-I384 HydrophobicContact CB-CG2 4.17Å; I384-I459 PolarHBondContact O-N 2.96Å; I384-I461 HydrophobicContact CD1-CD1 4.18Å; I384-I461 HydrophobicContact CD1-CG1 3.92Å; I384-I461 HydrophobicContact CG1-CG1 4.49Å |
| 385 | V | 72.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 114.9 | 171.5 | 179.4 | 0 | 0 | 0 | 0 | 107.7 | W334 L335 I378 K383 I456 V458 | W334-V385 CarbonylContact C-O 3.51Å; W334-V385 WeakPolarHBondContact CA-O 3.34Å; L335-V385 PolarHBondContact N-O 2.82Å; L335-V385 PolarHBondContact O-N 3.25Å; I378-V385 HydrophobicContact CB-CG2 4.21Å; I378-V385 HydrophobicContact CD1-CB 3.77Å; I378-V385 HydrophobicContact CD1-CG1 3.55Å; I378-V385 HydrophobicContact CD1-CG2 3.82Å; I378-V385 HydrophobicContact CG2-CG1 4.37Å; K383-V385 PolarHBondContact O-N 3.23Å; V385-I456 HydrophobicContact CG1-CG2 3.18Å; V385-V458 HydrophobicContact CG2-CG1 4.33Å; V385-V458 HydrophobicContact CG2-CG2 4.05Å |
| 386 | Q | 81.9 | Confident | 77.3 | Confident | 44 Ų | 44 | 50.3 Ų | 50.3 | 21% | 0.206 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 140.1 | 173.3 | -176.8 | 175.9 | -38 | 0 | 0 | 108.2 | W333 W334 T457 | W333-Q386 CarbonylContact O-C 3.58Å; W333-Q386 VanDerWaalsContact O-CA 3.31Å; W333-Q386 WeakPolarHBondContact O-CA 3.29Å; W334-Q386 VanDerWaalsContact NE1-CD 3.3Å; Q386-T457 PolarHBondContact N-O 2.85Å; Q386-T457 PolarHBondContact O-N 3.09Å |
| 387 | G | 84.9 | Confident | 77.5 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 148.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | K332 W333 | K332-G387 WeakPolarHBondContact CA-O 3.37Å; W333-G387 VanDerWaalsContact CE2-CA 3.42Å; W333-G387 VanDerWaalsContact CZ2-CA 3.42Å; W333-G387 PolarHBondContact N-O 3.2Å; W333-G387 PolarHBondContact O-N 3.44Å |
| 388 | T | 87.1 | Confident | 77.8 | Confident | 14 Ų | 14 | 40 Ų | 40 | 9% | 0.086 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 139.3 | 177.1 | -56.7 | 0 | 0 | 0 | 0 | 107.8 | E330 I331 K332 N454 | E330-T388 VanDerWaalsContact CD-CG2 3.49Å; E330-T388 HydrophobicContact CG-CG2 3.48Å; E330-T388 VanDerWaalsContact CG-CG2 3.48Å; E330-T388 WeakPolarHBondContact OE1-CG2 3.5Å; I331-T388 CarbonylContact O-C 3.4Å; I331-T388 VanDerWaalsContact O-CA 3.28Å; I331-T388 WeakPolarHBondContact O-CA 3.21Å; K332-T388 HydrophobicContact CG-CG2 3.93Å; T388-N454 WeakPolarHBondContact O-CA 3.37Å; T388-N454 PolarHBondContact O-N 3.43Å |
| 389 | F | 90.2 | Very high | 78.4 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 123.6 | 177.7 | -176 | -96.2 | 0 | 0 | 0 | 110.5 | E330 I331 W333 L346 M372 I373 V391 Y397 N454 | E330-F389 WeakPolarHBondContact CA-O 3.28Å; I331-F389 HydrophobicContact CB-CB 4.39Å; I331-F389 HydrophobicContact CD1-CD1 4.28Å; I331-F389 PolarHBondContact N-O 2.73Å; I331-F389 PolarHBondContact O-N 3.14Å; W333-F389 HydrophobicContact CH2-CB 4.16Å; W333-F389 HydrophobicContact CZ3-CB 4Å; L346-F389 HydrophobicContact CD2-CB 3.36Å; L346-F389 HydrophobicContact CD2-CD1 3.6Å; L346-F389 HydrophobicContact CD2-CD2 3.89Å; L346-F389 HydrophobicContact CD2-CE1 4.42Å; L346-F389 HydrophobicContact CD2-CG 3.3Å; M372-F389 HydrophobicContact CB-CE1 4.45Å; M372-F389 HydrophobicContact CB-CE2 3.92Å; M372-F389 HydrophobicContact CB-CZ 3.92Å; M372-F389 HydrophobicContact CE-CE1 4.02Å; M372-F389 HydrophobicContact CE-CE2 4.21Å; M372-F389 HydrophobicContact CE-CZ 3.36Å; M372-F389 HydrophobicContact CG-CZ 4.44Å; I373-F389 HydrophobicContact CD1-CB 4.05Å; I373-F389 HydrophobicContact CD1-CD2 3.81Å; I373-F389 HydrophobicContact CD1-CG 4.3Å; I373-F389 HydrophobicContact CG1-CD2 3.9Å; I373-F389 HydrophobicContact CG1-CE2 4.48Å; F389-V391 HydrophobicContact CD1-CG2 4.05Å; F389-V391 HydrophobicContact CE1-CG2 4.22Å; F389-Y397 AromaticContact CD1-CE1 3.88Å; F389-Y397 HydrophobicContact CD1-CE1 3.88Å; F389-Y397 AromaticContact CE1-CE1 3.53Å; F389-Y397 HydrophobicContact CE1-CE1 3.53Å; F389-Y397 AromaticContact CE1-CZ 3.88Å; F389-Y397 WeakPolarHBondContact CE1-OH 3.38Å; F389-Y397 HydrophobicContact CZ-CE1 4.41Å; F389-N454 HydrophobicContact CD2-CB 4.13Å; F389-N454 WeakPolarHBondContact CD2-OD1 3.41Å; F389-N454 HydrophobicContact CE2-CB 4.39Å |
| 390 | S | 91.3 | Very high | 79.3 | Confident | 20 Ų | 20 | 36.6 Ų | 36.6 | 14% | 0.14 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 122.7 | 171.8 | -77.8 | 0 | 0 | 0 | 0 | 109.8 | E392 V453 N454 | S390-E392 PolarHBondContact O-N 2.96Å; S390-V453 VanDerWaalsContact OG-CG1 3.29Å; S390-V453 WeakPolarHBondContact OG-CG1 3.27Å; S390-N454 PolarHBondContact N-OD1 2.91Å |
| 391 | V | 89.3 | Confident | 80.5 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | trans | -77.1 | 113.2 | -175.4 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | V325 G326 G328 D329 I331 F389 N393 Y397 | V325-V391 HydrophobicContact CB-CG2 4.23Å; V325-V391 HydrophobicContact CG1-CB 4.24Å; V325-V391 HydrophobicContact CG1-CG1 4.3Å; V325-V391 HydrophobicContact CG1-CG2 3.57Å; G326-V391 WeakPolarHBondContact O-CB 3.44Å; G326-V391 WeakPolarHBondContact O-CG1 3.24Å; G328-V391 PolarHBondContact N-O 3.06Å; D329-V391 WeakPolarHBondContact O-CB 3.35Å; D329-V391 PolarHBondContact O-N 2.67Å; I331-V391 HydrophobicContact CD1-CG2 3.63Å; I331-V391 HydrophobicContact CG1-CG2 3.76Å; F389-V391 HydrophobicContact CD1-CG2 4.05Å; F389-V391 HydrophobicContact CE1-CG2 4.22Å; V391-N393 VanDerWaalsContact CG1-O 3.27Å; V391-N393 WeakPolarHBondContact CG1-O 3.2Å; V391-Y397 HydrophobicContact CG1-CE2 3.77Å; V391-Y397 WeakPolarHBondContact CG1-OH 3.45Å; V391-Y397 HydrophobicContact CG2-CE1 4.47Å; V391-Y397 HydrophobicContact CG2-CE2 4.07Å | ||
| 392 | E | 86.6 | Confident | 81.8 | Confident | 125 Ų | 125 | 33 Ų | 33 | 58% | 0.584 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -93.6 | -26.6 | 178.2 | -65.2 | -177.6 | 174.5 | 0 | 0 | 113 | V327 S390 | V327-E392 WeakPolarHBondContact CG2-O 3.48Å; S390-E392 PolarHBondContact O-N 2.96Å |
| 393 | N | 83.2 | Confident | 83.4 | Confident | 89 Ų | 89 | 26.1 Ų | 26.1 | 48% | 0.476 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -129.3 | 129.2 | 176.5 | -50 | -65.2 | 0 | 0 | 0 | 109.3 | M348 V391 G395 Y397 | M348-N393 HydrophobicContact CE-CB 3.61Å; M348-N393 WeakPolarHBondContact CE-O 3.32Å; M348-N393 HydrophobicContact SD-CB 4.21Å; V391-N393 VanDerWaalsContact CG1-O 3.27Å; V391-N393 WeakPolarHBondContact CG1-O 3.2Å; N393-G395 PolarHBondContact O-N 2.68Å; N393-Y397 PolarHBondContact O-OH 3.12Å |
| 394 | S | 81.3 | Confident | 84 | Confident | 71 Ų | 71 | 22.9 Ų | 22.9 | 50% | 0.497 | 13% | 0.126 | S | C | . | . | trans | -62 | 133.5 | 173.8 | -62.4 | 0 | 0 | 0 | 0 | 109.9 | V325 G326 V327 | V325-S394 CarbonylContact O-C 3.49Å; V325-S394 WeakPolarHBondContact O-CA 3.49Å; G326-S394 WeakPolarHBondContact CA-OG 2.8Å; V327-S394 WeakPolarHBondContact CG2-OG 3.35Å; V327-S394 PolarHBondContact N-OG 2.83Å | ||
| 395 | G | 81.3 | Confident | 84.6 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.7 | 177.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | M324 V325 N393 Y397 | M324-G395 WeakPolarHBondContact CA-O 3.49Å; M324-G395 VanDerWaalsContact SD-CA 3.54Å; M324-G395 VanDerWaalsContact SD-O 3.39Å; V325-G395 PolarHBondContact N-O 3.35Å; V325-G395 PolarHBondContact O-N 3.48Å; N393-G395 PolarHBondContact O-N 2.68Å; G395-Y397 WeakPolarHBondContact O-CD2 3.26Å |
| 396 | V | 80.1 | Confident | 84.4 | Confident | 5 Ų | 5 | 24.6 Ų | 24.6 | 3% | 0.03 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 116.6 | 173.3 | -179.7 | 0 | 0 | 0 | 0 | 108.9 | Y80 G323 M324 M348 K349 | Y80-V396 HydrophobicContact CD2-CG2 4.34Å; G323-V396 WeakPolarHBondContact O-CA 3.37Å; M324-V396 HydrophobicContact CE-CG2 3.66Å; M348-V396 CarbonylContact C-O 3.57Å; M348-V396 WeakPolarHBondContact CA-O 3.44Å; K349-V396 HydrophobicContact CB-CB 4.12Å; K349-V396 PolarHBondContact N-O 3.3Å |
| 397 | Y | 87.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 144.9 | 178.1 | -76 | -102 | 0 | 0 | 0 | 111.5 | I322 G323 V325 I331 L346 F347 M348 M372 F389 V391 N393 G395 | I322-Y397 WeakPolarHBondContact CB-O 3.11Å; I322-Y397 PolarHBondContact N-O 3.35Å; G323-Y397 PolarHBondContact O-N 3.3Å; V325-Y397 HydrophobicContact CB-CD2 3.85Å; V325-Y397 HydrophobicContact CB-CE2 4.23Å; V325-Y397 HydrophobicContact CG2-CD2 3.99Å; V325-Y397 HydrophobicContact CG2-CG 4.46Å; I331-Y397 HydrophobicContact CD1-CD1 3.54Å; I331-Y397 HydrophobicContact CD1-CD2 4.04Å; I331-Y397 HydrophobicContact CD1-CE1 4Å; I331-Y397 HydrophobicContact CD1-CE2 4.49Å; I331-Y397 HydrophobicContact CD1-CG 3.53Å; L346-Y397 HydrophobicContact CD1-CD1 4.35Å; L346-Y397 HydrophobicContact CD2-CD1 4.19Å; L346-Y397 HydrophobicContact CD2-CE1 4.44Å; L346-Y397 HydrophobicContact CG-CD1 4.16Å; F347-Y397 CarbonylContact O-C 3.59Å; F347-Y397 WeakPolarHBondContact O-CA 3.49Å; M348-Y397 HydrophobicContact CB-CD1 4.2Å; M348-Y397 HydrophobicContact CB-CE1 4.04Å; M348-Y397 HydrophobicContact CE-CE1 4.08Å; M348-Y397 HydrophobicContact CE-CE2 3.97Å; M348-Y397 VanDerWaalsContact CE-CZ 3.41Å; M348-Y397 WeakPolarHBondContact CE-OH 3.42Å; M348-Y397 HydrophobicContact CG-CD2 4.38Å; M348-Y397 HydrophobicContact CG-CE1 4.43Å; M348-Y397 HydrophobicContact CG-CE2 4.06Å; M372-Y397 HydrophobicContact CB-CE1 4.47Å; M372-Y397 HydrophobicContact CE-CE1 4.49Å; M372-Y397 HydrophobicContact CG-CD1 4.35Å; M372-Y397 HydrophobicContact CG-CE1 3.8Å; F389-Y397 AromaticContact CD1-CE1 3.88Å; F389-Y397 HydrophobicContact CD1-CE1 3.88Å; F389-Y397 AromaticContact CE1-CE1 3.53Å; F389-Y397 HydrophobicContact CE1-CE1 3.53Å; F389-Y397 AromaticContact CE1-CZ 3.88Å; F389-Y397 WeakPolarHBondContact CE1-OH 3.38Å; F389-Y397 HydrophobicContact CZ-CE1 4.41Å; V391-Y397 HydrophobicContact CG1-CE2 3.77Å; V391-Y397 WeakPolarHBondContact CG1-OH 3.45Å; V391-Y397 HydrophobicContact CG2-CE1 4.47Å; V391-Y397 HydrophobicContact CG2-CE2 4.07Å; N393-Y397 PolarHBondContact O-OH 3.12Å; G395-Y397 WeakPolarHBondContact O-CD2 3.26Å |
| 398 | I | 87.1 | Confident | 82.4 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 135.6 | 173.6 | 62.6 | 168.4 | 0 | 0 | 0 | 110.3 | A124 I320 F347 Y369 V400 | A124-I398 HydrophobicContact CB-CG2 4.16Å; I320-I398 WeakPolarHBondContact O-CA 3.38Å; F347-I398 HydrophobicContact CB-CD1 4.28Å; F347-I398 HydrophobicContact CB-CG1 3.79Å; F347-I398 PolarHBondContact N-O 2.8Å; F347-I398 PolarHBondContact O-N 2.82Å; Y369-I398 HydrophobicContact CD1-CD1 3.65Å; Y369-I398 HydrophobicContact CD1-CG1 4.03Å; Y369-I398 HydrophobicContact CE1-CD1 3.25Å; Y369-I398 HydrophobicContact CE1-CG1 3.75Å; Y369-I398 HydrophobicContact CE1-CG2 4.33Å; Y369-I398 HydrophobicContact CE2-CD1 4.33Å; Y369-I398 HydrophobicContact CG-CD1 4.33Å; I398-V400 HydrophobicContact CD1-CG2 3.73Å; I398-V400 HydrophobicContact CG1-CG2 4.03Å |
| 399 | L | 89.9 | Confident | 81.6 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 118.5 | 167.2 | -173.6 | 74.6 | 0 | 0 | 0 | 107.9 | I320 I322 W333 V344 L346 L401 | I320-L399 HydrophobicContact CB-CB 4.29Å; I320-L399 HydrophobicContact CD1-CD2 4.38Å; I320-L399 PolarHBondContact N-O 3.05Å; I320-L399 PolarHBondContact O-N 2.76Å; I322-L399 HydrophobicContact CD1-CB 4.28Å; W333-L399 HydrophobicContact CB-CD2 4.06Å; W333-L399 HydrophobicContact CD2-CD1 3.81Å; W333-L399 HydrophobicContact CE3-CD1 4.39Å; W333-L399 HydrophobicContact CG-CD1 3.97Å; W333-L399 HydrophobicContact CG-CD2 3.99Å; W333-L399 HydrophobicContact CZ2-CD1 4.41Å; V344-L399 HydrophobicContact CG1-CD1 3.74Å; V344-L399 HydrophobicContact CG1-CG 4.27Å; L346-L399 HydrophobicContact CD1-CD1 4.44Å; L399-L401 HydrophobicContact CD2-CD2 4.49Å |
| 400 | V | 89.2 | Confident | 81 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 125.8 | -176.4 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | V344 G345 F347 M375 I398 | V344-V400 VanDerWaalsContact CA-O 3.3Å; V344-V400 WeakPolarHBondContact CA-O 3.4Å; G345-V400 PolarHBondContact N-O 3.01Å; G345-V400 PolarHBondContact O-N 3.33Å; F347-V400 HydrophobicContact CD2-CB 4.08Å; F347-V400 HydrophobicContact CD2-CG2 3.52Å; F347-V400 HydrophobicContact CE2-CB 3.99Å; F347-V400 HydrophobicContact CE2-CG2 3.87Å; F347-V400 HydrophobicContact CG-CG2 4.45Å; M375-V400 HydrophobicContact CE-CG1 4.15Å; M375-V400 HydrophobicContact SD-CB 4.08Å; M375-V400 HydrophobicContact SD-CG1 4.07Å; I398-V400 HydrophobicContact CD1-CG2 3.73Å; I398-V400 HydrophobicContact CG1-CG2 4.03Å |
| 401 | L | 89.7 | Confident | 80.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 113.7 | 171.3 | -50.5 | -177.4 | 0 | 0 | 0 | 108.9 | V310 V312 R317 K318 I320 L335 I342 A343 V344 L399 L413 | V310-L401 HydrophobicContact CG1-CD1 3.57Å; V312-L401 HydrophobicContact CG2-CB 3.85Å; V312-L401 HydrophobicContact CG2-CD1 4.14Å; R317-L401 CarbonylContact C-O 3.45Å; R317-L401 VanDerWaalsContact CA-O 3.28Å; R317-L401 WeakPolarHBondContact CA-O 3.49Å; K318-L401 HydrophobicContact CB-CB 4.42Å; K318-L401 PolarHBondContact N-O 3.36Å; K318-L401 PolarHBondContact O-N 3.17Å; I320-L401 HydrophobicContact CD1-CD1 3.64Å; I320-L401 HydrophobicContact CD1-CG 4.06Å; L335-L401 HydrophobicContact CD1-CD1 4.17Å; L335-L401 HydrophobicContact CD1-CD2 3.48Å; L335-L401 VanDerWaalsContact CD1-CD2 3.48Å; L335-L401 HydrophobicContact CD1-CG 4.5Å; I342-L401 HydrophobicContact CD1-CB 4.31Å; I342-L401 HydrophobicContact CG1-CB 4.18Å; A343-L401 CarbonylContact O-C 3.59Å; A343-L401 WeakPolarHBondContact O-CA 3.38Å; V344-L401 HydrophobicContact CB-CD2 4.44Å; V344-L401 HydrophobicContact CG1-CD2 4.17Å; V344-L401 HydrophobicContact CG2-CD2 3.59Å; L399-L401 HydrophobicContact CD2-CD2 4.49Å; L401-L413 HydrophobicContact CD1-CD1 4.28Å |
| 402 | D | 85.8 | Confident | 80.1 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 6% | 0.064 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 120 | -174.4 | -172.4 | -44.5 | 0 | 0 | 0 | 111.3 | I342 A343 M375 T404 Y405 | I342-D402 VanDerWaalsContact CD1-O 3.26Å; I342-D402 WeakPolarHBondContact CD1-O 3.23Å; A343-D402 HydrophobicContact CB-CB 4.17Å; A343-D402 PolarHBondContact N-O 3.2Å; A343-D402 VanDerWaalsContact N-O 3.12Å; A343-D402 PolarHBondContact O-N 2.85Å; M375-D402 HydrophobicContact CE-CB 3.3Å; D402-T404 WeakPolarHBondContact OD1-CA 3.49Å; D402-T404 WeakPolarHBondContact OD1-CB 3.45Å; D402-T404 VanDerWaalsContact OD1-CG2 3.22Å; D402-T404 WeakPolarHBondContact OD1-CG2 3.18Å; D402-T404 PolarHBondContact OD1-N 2.8Å; D402-T404 PolarHBondContact OD1-OG1 2.86Å; D402-T404 PolarHBondContact OD2-OG1 2.88Å; D402-Y405 WeakPolarHBondContact O-CE1 3.41Å |
| 403 | N | 85.5 | Confident | 79.9 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 27.9 | 173.1 | -171.5 | 18.2 | 0 | 0 | 0 | 111.5 | V312 G313 A315 S316 I342 Y405 S406 K409 K411 | V312-N403 HydrophobicContact CB-CB 4.07Å; V312-N403 HydrophobicContact CG1-CB 3.51Å; V312-N403 PolarHBondContact O-ND2 3.23Å; G313-N403 PolarHBondContact O-ND2 2.92Å; A315-N403 PolarHBondContact N-O 2.89Å; S316-N403 CarbonylContact O-C 3.6Å; S316-N403 VanDerWaalsContact O-CA 3.3Å; S316-N403 WeakPolarHBondContact O-CA 3.35Å; S316-N403 WeakPolarHBondContact O-CB 3.16Å; S316-N403 PolarHBondContact O-N 2.8Å; I342-N403 HydrophobicContact CD1-CB 4.02Å; N403-Y405 PolarHBondContact O-N 2.7Å; N403-Y405 VanDerWaalsContact O-N 3.14Å; N403-S406 PolarHBondContact O-N 2.89Å; N403-S406 WeakPolarHBondContact OD1-CB 3.29Å; N403-S406 PolarHBondContact OD1-OG 3.06Å; N403-K409 PolarHBondContact ND2-O 2.85Å; N403-K411 HydrophobicContact CB-CD 4.02Å; N403-K411 WeakPolarHBondContact OD1-CD 3.47Å; N403-K411 WeakPolarHBondContact OD1-CE 3.3Å |
| 404 | T | 74.8 | Confident | 79.7 | Confident | 47 Ų | 47 | 42 Ų | 42 | 29% | 0.288 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -17.5 | -177.6 | 59.9 | 0 | 0 | 0 | 0 | 112.5 | S316 D402 | S316-T404 PolarHBondContact O-N 2.69Å; D402-T404 WeakPolarHBondContact OD1-CA 3.49Å; D402-T404 WeakPolarHBondContact OD1-CB 3.45Å; D402-T404 VanDerWaalsContact OD1-CG2 3.22Å; D402-T404 WeakPolarHBondContact OD1-CG2 3.18Å; D402-T404 PolarHBondContact OD1-N 2.8Å; D402-T404 PolarHBondContact OD1-OG1 2.86Å; D402-T404 PolarHBondContact OD2-OG1 2.88Å |
| 405 | Y | 76.6 | Confident | 79.8 | Confident | 53 Ų | 53 | 40.3 Ų | 40.3 | 21% | 0.208 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -12.1 | 178.4 | 52 | -95.9 | 0 | 0 | 0 | 115.1 | D341 I342 A343 R377 D402 N403 | D341-Y405 WeakPolarHBondContact O-CE2 3.46Å; D341-Y405 PolarHBondContact O-OH 2.94Å; D341-Y405 WeakPolarHBondContact OD1-CE2 3.28Å; I342-Y405 WeakPolarHBondContact CA-OH 3.42Å; I342-Y405 PolarHBondContact N-OH 2.85Å; A343-Y405 HydrophobicContact CB-CE1 3.95Å; A343-Y405 PolarHBondContact N-OH 3.36Å; R377-Y405 VanDerWaalsContact NH2-CD2 3.26Å; D402-Y405 WeakPolarHBondContact O-CE1 3.41Å; N403-Y405 PolarHBondContact O-N 2.7Å; N403-Y405 VanDerWaalsContact O-N 3.14Å |
| 406 | S | 69.4 | Low | 79.7 | Confident | 19 Ų | 19 | 42.1 Ų | 42.1 | 13% | 0.133 | 19% | 0.194 | C | C | . | . | trans | -96.7 | 120 | 172.9 | -48.5 | 0 | 0 | 0 | 0 | 110.6 | P314 A315 N403 K409 K411 | P314-S406 CarbonylContact C-O 3.6Å; P314-S406 VanDerWaalsContact CA-O 3.24Å; P314-S406 WeakPolarHBondContact CA-O 3.39Å; P314-S406 WeakPolarHBondContact CB-O 3.3Å; A315-S406 PolarHBondContact N-O 2.81Å; N403-S406 PolarHBondContact O-N 2.89Å; N403-S406 WeakPolarHBondContact OD1-CB 3.29Å; N403-S406 PolarHBondContact OD1-OG 3.06Å; S406-K409 WeakPolarHBondContact CB-O 3.5Å; S406-K411 VanDerWaalsContact OG-CE 3.23Å; S406-K411 WeakPolarHBondContact OG-CE 3.45Å; S406-K411 PolarHBondContact OG-NZ 3.29Å | ||
| 407 | W | 61.1 | Low | 79.8 | Confident | 224 Ų | 224 | 43.5 Ų | 43.5 | 85% | 0.848 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -87.5 | -22.2 | -172.8 | -68 | 58.1 | 0 | 0 | 0 | 113.4 | ||
| 408 | T | 64.5 | Low | 79.6 | Confident | 124 Ų | 124 | 44.9 Ų | 44.9 | 76% | 0.761 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -127.5 | -16.3 | -173.7 | 57.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 409 | K | 69 | Low | 79.3 | Confident | 102 Ų | 102 | 46.4 Ų | 46.4 | 44% | 0.443 | 22% | 0.221 | S | C | . | . | trans | -112.4 | 121.4 | -172.3 | -63.2 | -169.3 | -178.8 | -175.2 | 0 | 111 | H340 N403 S406 | H340-K409 PolarHBondContact CE1-NZ 3.03Å; H340-K409 PolarHBondContact NE2-NZ 2.91Å; H340-K409 VanDerWaalsContact NE2-NZ 3.14Å; N403-K409 PolarHBondContact ND2-O 2.85Å; S406-K409 WeakPolarHBondContact CB-O 3.5Å | ||
| 410 | S | 79 | Confident | 78.9 | Confident | 40 Ų | 40 | 49.1 Ų | 49.1 | 28% | 0.28 | 24% | 0.237 | S | C | . | . | trans | -65.1 | 151.7 | 160 | -61.8 | 0 | 0 | 0 | 0 | 109.6 | E311 V312 | E311-S410 WeakPolarHBondContact OE1-CB 3.42Å; E311-S410 PolarHBondContact OE1-OG 2.67Å; V312-S410 CarbonylContact O-C 3.6Å; V312-S410 WeakPolarHBondContact O-CA 3.35Å | ||
| 411 | K | 82.1 | Confident | 78.3 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 121.7 | 170.3 | -67.8 | 175.6 | -168.2 | -74.7 | 0 | 107.9 | E311 V312 H340 D341 I342 N403 S406 L413 | E311-K411 CarbonylContact C-O 3.58Å; E311-K411 WeakPolarHBondContact CA-O 3.41Å; V312-K411 PolarHBondContact N-O 2.81Å; V312-K411 PolarHBondContact O-N 2.7Å; H340-K411 VanDerWaalsContact C-NZ 3.31Å; H340-K411 VanDerWaalsContact CB-NZ 3.31Å; H340-K411 PolarHBondContact O-NZ 2.55Å; D341-K411 WeakPolarHBondContact O-CD 3.18Å; D341-K411 WeakPolarHBondContact O-CE 3.48Å; D341-K411 PolarHBondContact O-NZ 3.08Å; D341-K411 IonicContact OD1-NZ 3.42Å; D341-K411 PolarHBondContact OD1-NZ 2.96Å; I342-K411 HydrophobicContact CB-CD 4.1Å; I342-K411 HydrophobicContact CD1-CB 4.35Å; I342-K411 HydrophobicContact CD1-CD 3.53Å; I342-K411 HydrophobicContact CG1-CD 4.42Å; N403-K411 HydrophobicContact CB-CD 4.02Å; N403-K411 WeakPolarHBondContact OD1-CD 3.47Å; N403-K411 WeakPolarHBondContact OD1-CE 3.3Å; S406-K411 VanDerWaalsContact OG-CE 3.23Å; S406-K411 WeakPolarHBondContact OG-CE 3.45Å; S406-K411 PolarHBondContact OG-NZ 3.29Å; K411-L413 HydrophobicContact CB-CD1 3.93Å; K411-L413 WeakPolarHBondContact O-CD1 3.24Å |
| 412 | R | 77.9 | Confident | 77 | Confident | 98 Ų | 98 | 60 Ų | 60 | 37% | 0.37 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 125.1 | 171.2 | -69.5 | 179.4 | 74.5 | -142.8 | 9.3 | 107.9 | M309 E311 E338 | M309-R412 PolarHBondContact SD-NH2 2.76Å; E311-R412 HydrophobicContact CB-CG 4.38Å; E311-R412 HydrophobicContact CG-CG 4.09Å; E338-R412 HydrophobicContact CB-CB 4.35Å; E338-R412 HydrophobicContact CG-CB 4.29Å; E338-R412 PolarHBondContact N-O 2.65Å; E338-R412 IonicContact OE1-CZ 3.3Å; E338-R412 IonicContact OE1-NH1 3.5Å; E338-R412 PolarHBondContact OE1-NH1 2.6Å; E338-R412 WeakPolarHBondContact OE2-CB 3.13Å; E338-R412 WeakPolarHBondContact OE2-CD 3.45Å; E338-R412 IonicContact OE2-CZ 2.83Å; E338-R412 IonicContact OE2-NE 3.69Å; E338-R412 IonicContact OE2-NH1 2.7Å; E338-R412 PolarHBondContact OE2-NH1 3.46Å |
| 413 | L | 83.4 | Confident | 75.3 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 145.8 | -177.9 | -52 | 100.8 | 0 | 0 | 0 | 109.5 | M309 V310 V312 L335 S336 C337 I342 L401 K411 | M309-L413 CarbonylContact C-O 3.51Å; M309-L413 WeakPolarHBondContact CA-O 3.48Å; V310-L413 HydrophobicContact CG1-CB 3.88Å; V310-L413 HydrophobicContact CG1-CD1 4.26Å; V310-L413 PolarHBondContact N-O 3.37Å; V310-L413 PolarHBondContact O-N 3.24Å; V312-L413 HydrophobicContact CB-CD1 4.3Å; V312-L413 HydrophobicContact CG2-CD1 3.52Å; L335-L413 HydrophobicContact CD1-CD2 4.23Å; L335-L413 HydrophobicContact CD2-CD2 3.61Å; L335-L413 HydrophobicContact CG-CD2 4.13Å; S336-L413 CarbonylContact O-C 3.54Å; S336-L413 WeakPolarHBondContact O-CA 3.12Å; S336-L413 WeakPolarHBondContact O-CB 2.93Å; C337-L413 HydrophobicContact CB-CD2 3.7Å; C337-L413 HydrophobicContact CB-CG 4Å; I342-L413 HydrophobicContact CB-CD2 3.74Å; I342-L413 HydrophobicContact CD1-CD1 4.37Å; I342-L413 HydrophobicContact CD1-CD2 4.42Å; I342-L413 HydrophobicContact CG1-CD2 3.76Å; I342-L413 HydrophobicContact CG2-CD2 3.47Å; I342-L413 VanDerWaalsContact CG2-CD2 3.47Å; L401-L413 HydrophobicContact CD1-CD1 4.28Å; K411-L413 HydrophobicContact CB-CD1 3.93Å; K411-L413 WeakPolarHBondContact O-CD1 3.24Å |
| 414 | W | 79.3 | Confident | 73.3 | Confident | 79 Ų | 79 | 73.7 Ų | 73.7 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.8 | 170 | -64.6 | 88.3 | 0 | 0 | 0 | 106.8 | L307 T308 M309 L335 S336 E338 | L307-W414 HydrophobicContact CB-CB 4.48Å; L307-W414 HydrophobicContact CB-CE3 4.08Å; T308-W414 WeakPolarHBondContact O-CA 2.94Å; M309-W414 HydrophobicContact CB-CD2 3.99Å; M309-W414 HydrophobicContact CB-CE3 3.74Å; M309-W414 HydrophobicContact CB-CH2 3.77Å; M309-W414 HydrophobicContact CB-CZ2 3.98Å; M309-W414 HydrophobicContact CB-CZ3 3.65Å; M309-W414 HydrophobicContact CG-CD2 4.25Å; M309-W414 HydrophobicContact CG-CE3 4.49Å; M309-W414 HydrophobicContact CG-CH2 4.24Å; M309-W414 HydrophobicContact CG-CZ2 3.95Å; L335-W414 WeakPolarHBondContact CA-O 3.37Å; S336-W414 PolarHBondContact N-O 3.25Å; S336-W414 PolarHBondContact O-N 2.77Å; E338-W414 PolarHBondContact OE1-NE1 2.78Å |
| 415 | Y | 82.8 | Confident | 71.7 | Confident | 36 Ų | 36 | 78.9 Ų | 78.9 | 14% | 0.141 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 147.2 | 179.7 | 78.8 | -84.7 | 0 | 0 | 0 | 111.8 | L307 T308 V310 I320 W334 L417 | L307-Y415 CarbonylContact C-O 3.54Å; L307-Y415 WeakPolarHBondContact CA-O 3.46Å; T308-Y415 HydrophobicContact CG2-CD1 4.46Å; T308-Y415 HydrophobicContact CG2-CE1 3.58Å; T308-Y415 PolarHBondContact N-O 2.81Å; T308-Y415 WeakPolarHBondContact O-CD1 2.88Å; T308-Y415 PolarHBondContact O-N 2.88Å; V310-Y415 HydrophobicContact CB-CD1 4.18Å; V310-Y415 HydrophobicContact CB-CE1 4Å; V310-Y415 HydrophobicContact CG1-CD1 3.76Å; V310-Y415 HydrophobicContact CG1-CE1 4.05Å; I320-Y415 HydrophobicContact CD1-CD1 3.76Å; I320-Y415 HydrophobicContact CD1-CD2 4.01Å; I320-Y415 HydrophobicContact CD1-CE1 3.6Å; I320-Y415 HydrophobicContact CD1-CE2 3.89Å; I320-Y415 HydrophobicContact CD1-CG 3.96Å; I320-Y415 HydrophobicContact CG1-CE1 4.3Å; I320-Y415 HydrophobicContact CG2-CE2 3.71Å; W334-Y415 CarbonylContact O-C 3.6Å; W334-Y415 WeakPolarHBondContact O-CA 3.43Å; W334-Y415 WeakPolarHBondContact O-CB 3.5Å; Y415-L417 HydrophobicContact CD2-CB 4.02Å; Y415-L417 HydrophobicContact CE2-CB 4.03Å |
| 416 | H | 79.6 | Confident | 69.6 | Low | 39 Ų | 39 | 83.8 Ų | 83.8 | 18% | 0.181 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 136 | 162.9 | -177.3 | 67.6 | 0 | 0 | 0 | 107 | D306 L307 W333 W334 | D306-H416 PolarHBondContact O-ND1 2.86Å; D306-H416 VanDerWaalsContact O-ND1 3.09Å; L307-H416 HydrophobicContact CD2-CB 3.83Å; W333-H416 CarbonylContact C-O 3.5Å; W333-H416 WeakPolarHBondContact CA-O 3.34Å; W334-H416 HydrophobicContact CB-CB 4.45Å; W334-H416 HydrophobicContact CE3-CB 4.09Å; W334-H416 AromaticContact CE3-CD2 3.43Å; W334-H416 VanDerWaalsContact CE3-CD2 3.43Å; W334-H416 AromaticContact CZ3-CD2 3.42Å; W334-H416 VanDerWaalsContact CZ3-CD2 3.42Å; W334-H416 WeakPolarHBondContact CZ3-CD2 3.16Å; W334-H416 PolarHBondContact N-O 3.5Å; W334-H416 PolarHBondContact O-N 3.49Å |
| 417 | L | 82.3 | Confident | 67.8 | Low | 35 Ų | 35 | 91.5 Ų | 91.5 | 18% | 0.183 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 128.9 | 179.8 | 174.6 | 75 | 0 | 0 | 0 | 107.2 | I320 I322 I331 K332 W333 Y415 | I320-L417 HydrophobicContact CG2-CD2 4Å; I322-L417 HydrophobicContact CB-CD2 4.15Å; I322-L417 HydrophobicContact CD1-CD1 4.17Å; I322-L417 HydrophobicContact CG1-CD1 3.91Å; I322-L417 HydrophobicContact CG1-CD2 3.58Å; I322-L417 HydrophobicContact CG1-CG 4.3Å; I322-L417 HydrophobicContact CG2-CD2 4.27Å; I331-L417 HydrophobicContact CG2-CD1 4Å; K332-L417 WeakPolarHBondContact O-CA 3.23Å; W333-L417 HydrophobicContact CB-CD1 4.01Å; Y415-L417 HydrophobicContact CD2-CB 4.02Å; Y415-L417 HydrophobicContact CE2-CB 4.03Å |
| 418 | S | 82.1 | Confident | 66.3 | Low | 29 Ų | 29 | 88.8 Ų | 88.8 | 20% | 0.203 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 145.3 | 178.3 | 63 | 0 | 0 | 0 | 0 | 110.3 | K332 | K332-S418 PolarHBondContact N-O 2.76Å; K332-S418 PolarHBondContact O-N 2.81Å |
| 419 | V | 81.7 | Confident | 64.5 | Low | 34 Ų | 34 | 88.2 Ų | 88.2 | 21% | 0.206 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 125 | 168.4 | -179.3 | 0 | 0 | 0 | 0 | 106.7 | I322 V325 D329 E330 I331 | I322-V419 HydrophobicContact CG2-CG2 3.45Å; I322-V419 VanDerWaalsContact CG2-CG2 3.45Å; V325-V419 HydrophobicContact CG1-CG1 3.61Å; V325-V419 HydrophobicContact CG2-CG1 4.45Å; V325-V419 HydrophobicContact CG2-CG2 4.14Å; D329-V419 HydrophobicContact CB-CG1 3.91Å; E330-V419 WeakPolarHBondContact O-CA 3.29Å; I331-V419 HydrophobicContact CG1-CG2 4.33Å |
| 420 | T | 81.7 | Confident | 62.5 | Low | 57 Ų | 57 | 88.9 Ų | 88.9 | 35% | 0.35 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 124.7 | 177.4 | 46.4 | 0 | 0 | 0 | 0 | 110.4 | D329 E330 | D329-T420 WeakPolarHBondContact CA-O 3.28Å; E330-T420 PolarHBondContact N-O 2.86Å; E330-T420 PolarHBondContact O-N 3.15Å; E330-T420 PolarHBondContact O-OG1 3.43Å |
| 421 | D | 76.6 | Confident | 60 | Low | 90 Ų | 90 | 93.8 Ų | 93.8 | 48% | 0.481 | 50% | 0.495 | S | S | . | . | trans | -77.2 | 138.9 | 179.2 | -59.1 | -2.4 | 0 | 0 | 0 | 110 | V423 | D421-V423 PolarHBondContact O-N 2.88Š| ||
| 422 | K | 62.1 | Low | 57.3 | Low | 142 Ų | 142 | 101.9 Ų | 101.9 | 62% | 0.617 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -4.6 | -179.1 | -105.8 | -177.5 | -166.6 | 171.6 | 0 | 115.3 | G328 | G328-K422 WeakPolarHBondContact O-CB 3.41Å; G328-K422 WeakPolarHBondContact O-CD 3.34Å; G328-K422 WeakPolarHBondContact O-CE 3.07Å; G328-K422 WeakPolarHBondContact O-CG 3.37Å |
| 423 | V | 50.6 | Low | 54.9 | Low | 126 Ų | 126 | 102.1 Ų | 102.1 | 76% | 0.764 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -12.9 | -168.1 | -176.3 | 0 | 0 | 0 | 0 | 113.2 | D421 | D421-V423 PolarHBondContact O-N 2.88Š|
| 424 | E | 43.8 | Very low | 52 | Low | 172 Ų | 172 | 110.9 Ų | 110.9 | 80% | 0.804 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -89 | -15.9 | -174.1 | -76.4 | -165.9 | 145.3 | 0 | 0 | 116.8 | N426 | E424-N426 VanDerWaalsContact C-N 3.3Å; E424-N426 PolarHBondContact O-N 2.78Å |
| 425 | D | 40.2 | Very low | 49.6 | Very low | 157 Ų | 157 | 112.5 Ų | 112.5 | 84% | 0.84 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -5.1 | -175.1 | -84.5 | -25.8 | 0 | 0 | 0 | 115.3 | ||
| 426 | N | 32.1 | Very low | 46.9 | Very low | 155 Ų | 155 | 115.9 Ų | 115.9 | 83% | 0.829 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | 14 | -176.4 | -90.8 | -22.8 | 0 | 0 | 0 | 115.7 | E424 | E424-N426 VanDerWaalsContact C-N 3.3Å; E424-N426 PolarHBondContact O-N 2.78Å |
| 427 | K | 31.3 | Very low | 44.4 | Very low | 182 Ų | 182 | 118.9 Ų | 118.9 | 79% | 0.791 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -114.3 | 7.4 | -178.6 | -83.5 | -173.4 | 179.6 | 174.8 | 0 | 117.5 | ||
| 428 | N | 30.2 | Very low | 42 | Very low | 166 Ų | 166 | 125.4 Ų | 125.4 | 89% | 0.888 | 70% | 0.703 | S | S | * | * | trans | -110.4 | 35.3 | 177.8 | -80 | -15 | 0 | 0 | 0 | 115.3 | C430 | N428-C430 PolarHBondContact O-N 2.9Š| ||
| 429 | S | 26.4 | Very low | 39.3 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | -96.2 | 64 | 160.6 | 72.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 430 | C | 27.4 | Very low | 36.7 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 78% | 0.777 | 76% | 0.756 | S | S | * | * | trans | -115.9 | 102.8 | 165.2 | -91.7 | 0 | 0 | 0 | 0 | 108.9 | N428 M432 | N428-C430 PolarHBondContact O-N 2.9Å; C430-M432 PolarHBondContact O-N 3.37Å | ||
| 431 | T | 25.5 | Very low | 34 | Very low | 143 Ų | 143 | 143.4 Ų | 143.4 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -43.1 | 115.8 | 164.4 | 39.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 432 | M | 26.7 | Very low | 31.6 | Very low | 171 Ų | 171 | 147 Ų | 147 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | trans | -135.5 | 133.7 | 154 | -76.2 | -127.4 | 74.1 | 0 | 0 | 110.6 | C430 | C430-M432 PolarHBondContact O-N 3.37Š| ||
| 433 | S | 26.5 | Very low | 29.9 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -49.1 | 134.3 | -175.4 | 43.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 434 | M | 23.8 | Very low | 28.7 | Very low | 183 Ų | 183 | 146.8 Ų | 146.8 | 90% | 0.901 | 82% | 0.815 | S | S | * | * | trans | -83.5 | 148 | 162.5 | -79.8 | -100.2 | 168 | 0 | 0 | 111.5 | ||||
| 435 | P | 27.3 | Very low | 28 | Very low | 113 Ų | 113 | 147.6 Ų | 147.6 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | trans | -115.2 | 135.6 | 141.4 | 19.6 | -1.8 | 0 | 0 | 0 | 111.8 | ||||
| 436 | S | 26.8 | Very low | 27.2 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | -32.1 | 136.9 | 162.8 | 50.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 437 | S | 26.9 | Very low | 27 | Very low | 102 Ų | 102 | 150.6 Ų | 150.6 | 71% | 0.713 | 81% | 0.813 | S | S | * | * | 178.9 | 146.7 | 62.3 | -38.8 | 0 | 0 | 0 | 0 | 108 | |||||
| 438 | I | 31.3 | Very low | 27 | Very low | 172 Ų | 172 | 149.1 Ų | 149.1 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | 152.9 | 135.1 | 137.7 | -77.1 | 162.9 | 0 | 0 | 0 | 109.1 | ||||
| 439 | E | 25.7 | Very low | 26.9 | Very low | 174 Ų | 174 | 147 Ų | 147 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | -82 | 162.7 | -157.5 | -66.7 | 158.5 | 137.1 | 0 | 0 | 114 | ||||
| 440 | S | 27 | Very low | 27.1 | Very low | 102 Ų | 102 | 149.3 Ų | 149.3 | 71% | 0.713 | 81% | 0.808 | S | S | * | * | trans | 72.5 | 86.1 | 149.1 | 68.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 441 | F | 26.1 | Very low | 27.8 | Very low | 222 Ų | 222 | 146.6 Ų | 146.6 | 97% | 0.974 | 79% | 0.788 | S | S | * | * | trans | -154.2 | 97.3 | 133.5 | -103.2 | -79.6 | 0 | 0 | 0 | 107.9 | ||||
| 442 | N | 26.2 | Very low | 28.6 | Very low | 166 Ų | 166 | 143.2 Ų | 143.2 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | -137.9 | 90.5 | 179.1 | -144.3 | 5.9 | 0 | 0 | 0 | 109.2 | ||||
| 443 | S | 25.8 | Very low | 29.9 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | S | Bend | trans | 171.9 | 96.9 | 145.5 | 58.3 | 0 | 0 | 0 | 0 | 108.7 | ||
| 444 | N | 26.4 | Very low | 31.8 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 85% | 0.85 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 174.5 | 19 | 149 | -88.7 | -8.8 | 0 | 0 | 0 | 115.2 | ||
| 445 | Y | 27.5 | Very low | 33.7 | Very low | 189 Ų | 189 | 131.5 Ų | 131.5 | 74% | 0.741 | 71% | 0.708 | S | S | * | * | trans | -111.2 | 77.3 | 167.4 | -90.5 | -88.8 | 0 | 0 | 0 | 110.3 | E464 | Y445-E464 PolarHBondContact OH-OE1 2.65Å; Y445-E464 PolarHBondContact OH-OE2 3.24Å | ||
| 446 | K | 25.1 | Very low | 35.2 | Very low | 199 Ų | 199 | 126.3 Ų | 126.3 | 87% | 0.865 | 67% | 0.674 | S | S | * | * | trans | -134.5 | 125.1 | 161.4 | -100.7 | -175 | 176.8 | 179.6 | 0 | 108.7 | ||||
| 447 | Q | 26.9 | Very low | 36.5 | Very low | 177 Ų | 177 | 122.6 Ų | 122.6 | 83% | 0.827 | 65% | 0.648 | S | S | * | * | trans | 79.5 | 80 | 168.5 | -65.7 | 179.7 | -37.8 | 0 | 0 | 118.2 | ||||
| 448 | I | 30.9 | Very low | 37.6 | Very low | 151 Ų | 151 | 121.1 Ų | 121.1 | 77% | 0.774 | 63% | 0.634 | S | S | * | * | trans | -131 | 70.5 | 141.6 | -52.1 | 177.1 | 0 | 0 | 0 | 107.2 | ||||
| 449 | T | 28.6 | Very low | 38.1 | Very low | 120 Ų | 120 | 116.2 Ų | 116.2 | 74% | 0.736 | 61% | 0.609 | S | S | * | * | trans | -141.8 | 72 | 171.3 | 54.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 450 | D | 31.1 | Very low | 38.6 | Very low | 162 Ų | 162 | 113.1 Ų | 113.1 | 87% | 0.866 | 60% | 0.604 | S | S | * | * | trans | -163.7 | 65.6 | 163.1 | -88.3 | -31.2 | 0 | 0 | 0 | 107.8 | ||||
| 451 | T | 41.6 | Very low | 39.1 | Very low | 58 Ų | 58 | 113 Ų | 113 | 36% | 0.356 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -94.2 | 122.7 | 161.6 | -44.2 | 0 | 0 | 0 | 0 | 106.3 | V453 T457 | T451-V453 PolarHBondContact O-N 3.21Å; T451-V453 VanDerWaalsContact O-N 3.09Å; T451-T457 HydrophobicContact CG2-CG2 4.08Å |
| 452 | P | 42 | Very low | 39.5 | Very low | 73 Ų | 73 | 105.9 Ų | 105.9 | 47% | 0.474 | 57% | 0.571 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 120.3 | 173.2 | -18.5 | 28.9 | 0 | 0 | 0 | 108.8 | N454 D455 | P452-N454 PolarHBondContact O-N 2.89Å; P452-D455 HydrophobicContact CB-CB 4.07Å; P452-D455 HydrophobicContact CG-CB 4.49Å; P452-D455 PolarHBondContact O-N 2.85Å |
| 453 | V | 54.8 | Low | 39.9 | Very low | 93 Ų | 93 | 106.4 Ų | 106.4 | 56% | 0.564 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 118.4 | 173.3 | -177.8 | 0 | 0 | 0 | 0 | 106 | S390 T451 | S390-V453 VanDerWaalsContact OG-CG1 3.29Å; S390-V453 WeakPolarHBondContact OG-CG1 3.27Å; T451-V453 PolarHBondContact O-N 3.21Å; T451-V453 VanDerWaalsContact O-N 3.09Å |
| 454 | N | 66.2 | Low | 40.3 | Very low | 56 Ų | 56 | 107.9 Ų | 107.9 | 30% | 0.299 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 85.3 | 41.3 | -173.6 | -46.5 | -27.8 | 0 | 0 | 0 | 116.7 | T388 F389 S390 P452 | T388-N454 WeakPolarHBondContact O-CA 3.37Å; T388-N454 PolarHBondContact O-N 3.43Å; F389-N454 HydrophobicContact CD2-CB 4.13Å; F389-N454 WeakPolarHBondContact CD2-OD1 3.41Å; F389-N454 HydrophobicContact CE2-CB 4.39Å; S390-N454 PolarHBondContact N-OD1 2.91Å; P452-N454 PolarHBondContact O-N 2.89Å |
| 455 | D | 62.5 | Low | 40.6 | Very low | 62 Ų | 62 | 105.1 Ų | 105.1 | 33% | 0.332 | 55% | 0.548 | S | S | . | . | trans | -137.1 | 159.1 | 169 | -160.6 | 3.1 | 0 | 0 | 0 | 112.4 | K376 P452 | K376-D455 IonicContact NZ-OD1 3.4Å; P452-D455 HydrophobicContact CB-CB 4.07Å; P452-D455 HydrophobicContact CG-CB 4.49Å; P452-D455 PolarHBondContact O-N 2.85Å | ||
| 456 | I | 59.5 | Low | 40.8 | Very low | 4 Ų | 4 | 103.1 Ų | 103.1 | 2% | 0.021 | 54% | 0.54 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 110 | 170.9 | -64.2 | 170.7 | 0 | 0 | 0 | 107.9 | W333 I373 K376 I378 V385 | W333-I456 HydrophobicContact CZ2-CG1 3.97Å; I373-I456 HydrophobicContact CG2-CD1 3.73Å; I373-I456 HydrophobicContact CG2-CG1 3.98Å; K376-I456 HydrophobicContact CB-CD1 4.31Å; I378-I456 HydrophobicContact CG2-CG2 4.27Å; V385-I456 HydrophobicContact CG1-CG2 3.18Å |
| 457 | T | 55 | Low | 40.9 | Very low | 30 Ų | 30 | 103.6 Ų | 103.6 | 18% | 0.184 | 54% | 0.538 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 145.2 | 179.1 | 46.9 | 0 | 0 | 0 | 0 | 111.7 | Q386 T451 | Q386-T457 PolarHBondContact N-O 2.85Å; Q386-T457 PolarHBondContact O-N 3.09Å; T451-T457 HydrophobicContact CG2-CG2 4.08Å |
| 458 | V | 48.8 | Very low | 40.8 | Very low | 71 Ų | 71 | 98.5 Ų | 98.5 | 43% | 0.43 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 112 | -178 | -171.9 | 0 | 0 | 0 | 0 | 107.8 | K383 V385 | K383-V458 HydrophobicContact CB-CG1 3.29Å; K383-V458 HydrophobicContact CD-CG1 3.42Å; K383-V458 VanDerWaalsContact CD-CG1 3.42Å; K383-V458 HydrophobicContact CG-CG1 3.95Å; V385-V458 HydrophobicContact CG2-CG1 4.33Å; V385-V458 HydrophobicContact CG2-CG2 4.05Å |
| 459 | I | 41.6 | Very low | 40.6 | Very low | 68 Ų | 68 | 95.6 Ų | 95.6 | 35% | 0.349 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 141.7 | -167.2 | -47.1 | 178.5 | 0 | 0 | 0 | 110.8 | I384 | I384-I459 PolarHBondContact O-N 2.96Å |
| 460 | P | 35.9 | Very low | 40.5 | Very low | 110 Ų | 110 | 101.7 Ų | 101.7 | 71% | 0.714 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 156 | 170.5 | -7.2 | 22.8 | 0 | 0 | 0 | 112.5 | ||
| 461 | I | 37.7 | Very low | 40.2 | Very low | 98 Ų | 98 | 102.7 Ų | 102.7 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 130.8 | -177.9 | -60.2 | 168.2 | 0 | 0 | 0 | 111.1 | F300 I384 | F300-I461 HydrophobicContact CD1-CD1 4.37Å; F300-I461 HydrophobicContact CE1-CD1 3.67Å; F300-I461 HydrophobicContact CE2-CD1 3.87Å; F300-I461 HydrophobicContact CZ-CD1 3.38Å; F300-I461 HydrophobicContact CZ-CG1 4.47Å; I384-I461 HydrophobicContact CD1-CD1 4.18Å; I384-I461 HydrophobicContact CD1-CG1 3.92Å; I384-I461 HydrophobicContact CG1-CG1 4.49Å |
| 462 | P | 35.5 | Very low | 39.3 | Very low | 74 Ų | 74 | 109.3 Ų | 109.3 | 48% | 0.481 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -69.6 | 143 | 173.2 | -18.2 | 31.5 | 0 | 0 | 0 | 113.8 | E464 | P462-E464 VanDerWaalsContact C-N 3.26Å; P462-E464 PolarHBondContact O-N 2.65Å |
| 463 | E | 33.6 | Very low | 38.7 | Very low | 176 Ų | 176 | 112.6 Ų | 112.6 | 82% | 0.822 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -64.3 | -18.5 | -172.6 | -74.1 | -175.1 | 155.8 | 0 | 0 | 115.6 | N465 | E463-N465 VanDerWaalsContact C-N 3.31Å; E463-N465 PolarHBondContact O-N 3.09Å |
| 464 | E | 34.1 | Very low | 37.2 | Very low | 135 Ų | 135 | 111.7 Ų | 111.7 | 63% | 0.631 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -80.7 | -9 | -165.6 | -57.7 | 172.4 | -137.5 | 0 | 0 | 114 | Y445 P462 | Y445-E464 PolarHBondContact OH-OE1 2.65Å; Y445-E464 PolarHBondContact OH-OE2 3.24Å; P462-E464 VanDerWaalsContact C-N 3.26Å; P462-E464 PolarHBondContact O-N 2.65Å |
| 465 | N | 33.3 | Very low | 35.2 | Very low | 102 Ų | 102 | 112.8 Ų | 112.8 | 55% | 0.545 | 61% | 0.609 | S | S | . | * | G | 310 helix | trans | -105.6 | 25.6 | -172.7 | -63.8 | -43.9 | 0 | 0 | 0 | 113.5 | E463 Y467 | E463-N465 VanDerWaalsContact C-N 3.31Å; E463-N465 PolarHBondContact O-N 3.09Å; N465-Y467 PolarHBondContact O-N 3.14Å |
| 466 | Y | 31.9 | Very low | 33.6 | Very low | 146 Ų | 146 | 113.6 Ų | 113.6 | 57% | 0.573 | 62% | 0.62 | S | S | * | * | trans | -84.5 | -2.6 | -160.4 | -143.8 | -93 | 0 | 0 | 0 | 116.8 | ||||
| 467 | Y | 27.1 | Very low | 32.2 | Very low | 210 Ų | 210 | 121.1 Ų | 121.1 | 82% | 0.824 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -139.1 | 15.5 | -161.6 | -74.6 | -74.4 | 0 | 0 | 0 | 118.9 | N465 | N465-Y467 PolarHBondContact O-N 3.14Š|
| 468 | A | 24.3 | Very low | 31.2 | Very low | 70 Ų | 70 | 125.2 Ų | 125.2 | 58% | 0.579 | 68% | 0.678 | S | S | * | * | trans | -133.7 | 74.8 | -169 | 0 | 0 | 0 | 0 | 0 | 115.4 | D302 | D302-A468 PolarHBondContact OD2-N 3.08Š| ||
| 469 | C | 27 | Very low | 30.4 | Very low | 89 Ų | 89 | 128.1 Ų | 128.1 | 60% | 0.601 | 69% | 0.69 | S | S | * | * | trans | 171.7 | 79.7 | 145.3 | -97.8 | 0 | 0 | 0 | 0 | 113.8 | D302 M471 | D302-C469 WeakPolarHBondContact OD1-CA 3.48Å; D302-C469 WeakPolarHBondContact OD1-CB 3.38Å; D302-C469 PolarHBondContact OD1-N 2.87Å; D302-C469 PolarHBondContact OD2-N 3.39Å; C469-M471 PolarHBondContact O-N 3.49Å | ||
| 470 | R | 25.8 | Very low | 30.3 | Very low | 248 Ų | 248 | 130.5 Ų | 130.5 | 94% | 0.936 | 70% | 0.704 | S | S | * | * | trans | -62.2 | 128.7 | 145 | -94.1 | -178.5 | 175.3 | -178.7 | -1.3 | 108.1 | ||||
| 471 | M | 24.8 | Very low | 30.5 | Very low | 184 Ų | 184 | 128 Ų | 128 | 91% | 0.906 | 69% | 0.686 | S | S | * | * | trans | -168.9 | 127.8 | 138.5 | -89.1 | -94.6 | -82.1 | 0 | 0 | 110.1 | C469 | C469-M471 PolarHBondContact O-N 3.49Š| ||
| 472 | E | 24.3 | Very low | 30.5 | Very low | 196 Ų | 196 | 125.9 Ų | 125.9 | 92% | 0.916 | 68% | 0.68 | S | S | * | * | trans | -71.3 | 126.1 | -177 | -63.7 | 174.3 | 156.3 | 0 | 0 | 110.9 | ||||
| 473 | T | 28.4 | Very low | 30.8 | Very low | 142 Ų | 142 | 126 Ų | 126 | 87% | 0.871 | 68% | 0.679 | S | S | * | * | trans | -95.5 | 106.2 | 166.4 | 47.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 474 | G | 23.4 | Very low | 31.3 | Very low | 75 Ų | 75 | 121.3 Ų | 121.3 | 77% | 0.773 | 66% | 0.659 | S | S | * | * | trans | -68.9 | 135.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 475 | G | 24.2 | Very low | 31.9 | Very low | 78 Ų | 78 | 118.2 Ų | 118.2 | 80% | 0.804 | 64% | 0.644 | S | S | * | * | trans | 72.2 | 83.5 | 151.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 476 | S | 28.8 | Very low | 32.5 | Very low | 79 Ų | 79 | 121.2 Ų | 121.2 | 55% | 0.552 | 65% | 0.648 | S | S | * | * | trans | -84.6 | 125.4 | 159.8 | 158.3 | 0 | 0 | 0 | 0 | 110.5 | D478 | S476-D478 PolarHBondContact O-N 3.02Å; S476-D478 VanDerWaalsContact OG-CB 3.23Å; S476-D478 WeakPolarHBondContact OG-CB 3.43Å; S476-D478 PolarHBondContact OG-N 3.01Å; S476-D478 PolarHBondContact OG-OD2 2.83Å | ||
| 477 | M | 30.9 | Very low | 33.3 | Very low | 162 Ų | 162 | 120.2 Ų | 120.2 | 80% | 0.798 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -9.5 | 169.9 | -74.1 | -170.9 | -80.6 | 0 | 0 | 113.4 | L479 N480 | M477-L479 VanDerWaalsContact C-N 3.32Å; M477-L479 PolarHBondContact O-N 2.81Å; M477-N480 PolarHBondContact O-N 3.24Å |
| 478 | D | 34 | Very low | 34.3 | Very low | 116 Ų | 116 | 112.1 Ų | 112.1 | 62% | 0.62 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.7 | -23.9 | -172 | -57.5 | -56 | 0 | 0 | 0 | 113.5 | S476 N480 V481 S482 | S476-D478 PolarHBondContact O-N 3.02Å; S476-D478 VanDerWaalsContact OG-CB 3.23Å; S476-D478 WeakPolarHBondContact OG-CB 3.43Å; S476-D478 PolarHBondContact OG-N 3.01Å; S476-D478 PolarHBondContact OG-OD2 2.83Å; D478-N480 PolarHBondContact O-N 2.95Å; D478-V481 PolarHBondContact O-N 3.1Å; D478-S482 PolarHBondContact O-N 3.16Å |
| 479 | L | 32.3 | Very low | 35.7 | Very low | 133 Ų | 133 | 110.8 Ų | 110.8 | 70% | 0.696 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.5 | -32.2 | 178 | -151.9 | 78.5 | 0 | 0 | 0 | 111.5 | M477 V483 | M477-L479 VanDerWaalsContact C-N 3.32Å; M477-L479 PolarHBondContact O-N 2.81Å; L479-V483 WeakPolarHBondContact O-CB 3.46Å; L479-V483 VanDerWaalsContact O-CG2 3.24Å; L479-V483 WeakPolarHBondContact O-CG2 3.33Å; L479-V483 PolarHBondContact O-N 2.88Å |
| 480 | N | 38.9 | Very low | 36.9 | Very low | 118 Ų | 118 | 112 Ų | 112 | 63% | 0.631 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.9 | -36.5 | -179.3 | -77.6 | -29.5 | 0 | 0 | 0 | 112.4 | M477 D478 V483 L484 | M477-N480 PolarHBondContact O-N 3.24Å; D478-N480 PolarHBondContact O-N 2.95Å; N480-V483 PolarHBondContact O-N 2.95Å; N480-L484 WeakPolarHBondContact O-CB 3.49Å; N480-L484 PolarHBondContact O-N 2.88Å |
| 481 | V | 39.1 | Very low | 38.3 | Very low | 56 Ų | 56 | 105 Ų | 105 | 34% | 0.339 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69 | -40 | -178.6 | -178.1 | 0 | 0 | 0 | 0 | 111 | F211 D478 F485 | F211-V481 HydrophobicContact CE2-CG1 4.23Å; F211-V481 HydrophobicContact CZ-CG1 4.27Å; D478-V481 PolarHBondContact O-N 3.1Å; V481-F485 WeakPolarHBondContact O-CB 3.18Å; V481-F485 PolarHBondContact O-N 3.3Å |
| 482 | S | 39 | Very low | 39.2 | Very low | 55 Ų | 55 | 98.6 Ų | 98.6 | 39% | 0.385 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 175.6 | -174.9 | 0 | 0 | 0 | 0 | 112.4 | D478 F485 R486 | D478-S482 PolarHBondContact O-N 3.16Å; S482-F485 PolarHBondContact O-N 2.81Å; S482-R486 WeakPolarHBondContact O-CG 3.49Å; S482-R486 PolarHBondContact O-N 3.48Å |
| 483 | V | 40.5 | Very low | 40.4 | Very low | 75 Ų | 75 | 93.4 Ų | 93.4 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.7 | -45.1 | 178 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | L479 N480 F485 R486 F487 | L479-V483 WeakPolarHBondContact O-CB 3.46Å; L479-V483 VanDerWaalsContact O-CG2 3.24Å; L479-V483 WeakPolarHBondContact O-CG2 3.33Å; L479-V483 PolarHBondContact O-N 2.88Å; N480-V483 PolarHBondContact O-N 2.95Å; V483-F485 VanDerWaalsContact C-N 3.27Å; V483-F485 PolarHBondContact O-N 2.96Å; V483-R486 PolarHBondContact O-N 3.43Å; V483-F487 WeakPolarHBondContact O-CB 3.13Å; V483-F487 PolarHBondContact O-N 3.45Å |
| 484 | L | 44.7 | Very low | 41.2 | Very low | 79 Ų | 79 | 91 Ų | 91 | 41% | 0.414 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -37.8 | 175.3 | -153.3 | 89.8 | 0 | 0 | 0 | 110.9 | F211 N480 F487 L488 | F211-L484 HydrophobicContact CD2-CD2 4.31Å; N480-L484 WeakPolarHBondContact O-CB 3.49Å; N480-L484 PolarHBondContact O-N 2.88Å; L484-F487 WeakPolarHBondContact O-CB 3.42Å; L484-F487 PolarHBondContact O-N 3.49Å; L484-L488 HydrophobicContact CD2-CD1 4.08Å; L484-L488 PolarHBondContact O-N 2.93Å; L484-L488 WeakPolarHBondContact O-CG 3.42Å; L484-L488 WeakPolarHBondContact O-CB 3.45Å; L484-L488 HydrophobicContact CG-CD1 4.2Å; L484-L488 VanDerWaalsContact O-CG 3.26Å |
| 485 | F | 46.9 | Very low | 42.3 | Very low | 70 Ų | 70 | 90.7 Ų | 90.7 | 31% | 0.307 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.6 | -45.3 | 175.4 | -173.2 | -103.9 | 0 | 0 | 0 | 112.1 | I175 V481 S482 V483 F487 L488 V489 | I175-F485 HydrophobicContact CD1-CD2 4.24Å; I175-F485 HydrophobicContact CD1-CE2 3.58Å; V481-F485 WeakPolarHBondContact O-CB 3.18Å; V481-F485 PolarHBondContact O-N 3.3Å; S482-F485 PolarHBondContact O-N 2.81Å; V483-F485 VanDerWaalsContact C-N 3.27Å; V483-F485 PolarHBondContact O-N 2.96Å; F485-F487 VanDerWaalsContact C-N 3.28Å; F485-F487 PolarHBondContact O-N 3.49Å; F485-L488 PolarHBondContact O-N 3.29Å; F485-V489 HydrophobicContact CE2-CG2 4.13Å; F485-V489 PolarHBondContact O-N 2.97Å; F485-V489 WeakPolarHBondContact O-CG2 3.42Å; F485-V489 WeakPolarHBondContact O-CB 3.17Å; F485-V489 HydrophobicContact CZ-CG2 3.83Å; F485-V489 HydrophobicContact CG-CG2 4.43Å; F485-V489 HydrophobicContact CE1-CG2 3.83Å; F485-V489 HydrophobicContact CD2-CG2 4.43Å; F485-V489 HydrophobicContact CD1-CG2 4.13Å |
| 486 | R | 46.5 | Very low | 43.2 | Very low | 164 Ų | 164 | 94.3 Ų | 94.3 | 62% | 0.619 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.3 | -41 | 172.9 | -71.1 | -177.5 | -144 | -167.4 | 5.4 | 111.3 | S482 V483 Q490 | S482-R486 WeakPolarHBondContact O-CG 3.49Å; S482-R486 PolarHBondContact O-N 3.48Å; V483-R486 PolarHBondContact O-N 3.43Å; R486-Q490 VanDerWaalsContact O-CB 3.29Å; R486-Q490 PolarHBondContact O-N 2.96Å; R486-Q490 WeakPolarHBondContact O-CG 2.79Å; R486-Q490 WeakPolarHBondContact O-CB 3.15Å; R486-Q490 VanDerWaalsContact O-CG 3.27Å |
| 487 | F | 49.2 | Very low | 44.1 | Very low | 125 Ų | 125 | 96.3 Ų | 96.3 | 55% | 0.548 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 177.4 | -128.1 | -96.7 | 0 | 0 | 0 | 111.9 | V483 L484 F485 Q490 I491 | V483-F487 WeakPolarHBondContact O-CB 3.13Å; V483-F487 PolarHBondContact O-N 3.45Å; L484-F487 WeakPolarHBondContact O-CB 3.42Å; L484-F487 PolarHBondContact O-N 3.49Å; F485-F487 VanDerWaalsContact C-N 3.28Å; F485-F487 PolarHBondContact O-N 3.49Å; F487-Q490 PolarHBondContact O-N 3.25Å; F487-I491 PolarHBondContact O-N 3.04Å; F487-I491 WeakPolarHBondContact O-CG1 3.17Å; F487-I491 VanDerWaalsContact O-CG1 3.28Å; F487-I491 WeakPolarHBondContact O-CB 3.17Å; F487-I491 HydrophobicContact CE1-CD1 3.72Å; F487-I491 HydrophobicContact CD1-CG1 4.37Å; F487-I491 VanDerWaalsContact CD1-CD1 3.46Å; F487-I491 HydrophobicContact CD1-CD1 3.46Å |
| 488 | L | 46.9 | Very low | 44.6 | Very low | 40 Ų | 40 | 97.8 Ų | 97.8 | 21% | 0.209 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -67.9 | -39.6 | 179.2 | -74.6 | 165.7 | 0 | 0 | 0 | 112 | T207 F211 L484 F485 I491 L492 | T207-L488 HydrophobicContact CG2-CD2 4.22Å; F211-L488 HydrophobicContact CB-CD1 4.38Å; F211-L488 HydrophobicContact CD2-CD1 3.84Å; L484-L488 HydrophobicContact CD2-CD1 4.08Å; L484-L488 PolarHBondContact O-N 2.93Å; L484-L488 WeakPolarHBondContact O-CG 3.42Å; L484-L488 WeakPolarHBondContact O-CB 3.45Å; L484-L488 HydrophobicContact CG-CD1 4.2Å; L484-L488 VanDerWaalsContact O-CG 3.26Å; F485-L488 PolarHBondContact O-N 3.29Å; L488-I491 PolarHBondContact O-N 3.18Å; L488-L492 HydrophobicContact CB-CD1 4.27Å; L488-L492 HydrophobicContact CD2-CD1 3.68Å; L488-L492 WeakPolarHBondContact O-CB 2.97Å; L488-L492 WeakPolarHBondContact O-CG 3.43Å; L488-L492 PolarHBondContact O-N 3.46Å |
| 489 | V | 54.7 | Low | 44.8 | Very low | 43 Ų | 43 | 99.8 Ų | 99.8 | 26% | 0.261 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64 | -42.9 | 173.7 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | F485 I493 L494 | F485-V489 HydrophobicContact CE2-CG2 4.13Å; F485-V489 PolarHBondContact O-N 2.97Å; F485-V489 WeakPolarHBondContact O-CG2 3.42Å; F485-V489 WeakPolarHBondContact O-CB 3.17Å; F485-V489 HydrophobicContact CZ-CG2 3.83Å; F485-V489 HydrophobicContact CG-CG2 4.43Å; F485-V489 HydrophobicContact CE1-CG2 3.83Å; F485-V489 HydrophobicContact CD2-CG2 4.43Å; F485-V489 HydrophobicContact CD1-CG2 4.13Å; V489-I493 HydrophobicContact CB-CD1 4.38Å; V489-I493 PolarHBondContact O-N 2.84Å; V489-I493 WeakPolarHBondContact O-CB 3.33Å; V489-I493 VanDerWaalsContact O-CB 3.3Å; V489-I493 HydrophobicContact CG2-CD1 4.03Å; V489-I493 HydrophobicContact CG1-CD1 4.22Å; V489-I493 HydrophobicContact CG1-CB 4.4Å; V489-L494 PolarHBondContact O-N 3.07Å |
| 490 | Q | 50.6 | Low | 44.7 | Very low | 115 Ų | 115 | 104.4 Ų | 104.4 | 54% | 0.537 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67 | -37.8 | 178.1 | -78.7 | 178.6 | -18.3 | 0 | 0 | 113.1 | R486 F487 L494 | R486-Q490 VanDerWaalsContact O-CB 3.29Å; R486-Q490 PolarHBondContact O-N 2.96Å; R486-Q490 WeakPolarHBondContact O-CG 2.79Å; R486-Q490 WeakPolarHBondContact O-CB 3.15Å; R486-Q490 VanDerWaalsContact O-CG 3.27Å; F487-Q490 PolarHBondContact O-N 3.25Å; Q490-L494 HydrophobicContact CB-CD1 4.22Å; Q490-L494 HydrophobicContact CG-CD1 3.82Å |
| 491 | I | 55 | Low | 45 | Very low | 99 Ų | 99 | 104.6 Ų | 104.6 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -81.9 | -39 | -178.8 | -67.9 | 175.6 | 0 | 0 | 0 | 112.1 | F487 L488 P495 | F487-I491 PolarHBondContact O-N 3.04Å; F487-I491 WeakPolarHBondContact O-CG1 3.17Å; F487-I491 VanDerWaalsContact O-CG1 3.28Å; F487-I491 WeakPolarHBondContact O-CB 3.17Å; F487-I491 HydrophobicContact CE1-CD1 3.72Å; F487-I491 HydrophobicContact CD1-CG1 4.37Å; F487-I491 VanDerWaalsContact CD1-CD1 3.46Å; F487-I491 HydrophobicContact CD1-CD1 3.46Å; L488-I491 PolarHBondContact O-N 3.18Å; I491-P495 WeakPolarHBondContact O-CD 2.98Å; I491-P495 VanDerWaalsContact O-CG 3.31Å; I491-P495 WeakPolarHBondContact O-CG 3.31Å |
| 492 | L | 45.5 | Very low | 44.9 | Very low | 51 Ų | 51 | 113.4 Ų | 113.4 | 27% | 0.267 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -100.1 | -29 | -168.7 | -58.9 | 170.4 | 0 | 0 | 0 | 113.8 | T207 L488 | T207-L492 HydrophobicContact CG2-CD1 3.69Å; L488-L492 HydrophobicContact CB-CD1 4.27Å; L488-L492 HydrophobicContact CD2-CD1 3.68Å; L488-L492 WeakPolarHBondContact O-CB 2.97Å; L488-L492 WeakPolarHBondContact O-CG 3.43Å; L488-L492 PolarHBondContact O-N 3.46Å |
| 493 | I | 49.5 | Very low | 45.2 | Very low | 87 Ų | 87 | 116.3 Ų | 116.3 | 45% | 0.446 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.4 | -44.7 | -172.3 | -54 | -174.4 | 0 | 0 | 0 | 111.5 | V489 K496 I497 | V489-I493 HydrophobicContact CB-CD1 4.38Å; V489-I493 PolarHBondContact O-N 2.84Å; V489-I493 WeakPolarHBondContact O-CB 3.33Å; V489-I493 VanDerWaalsContact O-CB 3.3Å; V489-I493 HydrophobicContact CG2-CD1 4.03Å; V489-I493 HydrophobicContact CG1-CD1 4.22Å; V489-I493 HydrophobicContact CG1-CB 4.4Å; I493-K496 PolarHBondContact O-N 2.67Å; I493-I497 HydrophobicContact CG2-CD1 4.1Å |
| 494 | L | 44.4 | Very low | 45.4 | Very low | 90 Ų | 90 | 118.5 Ų | 118.5 | 47% | 0.471 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.4 | -34.9 | -175.2 | -68.3 | 178.9 | 0 | 0 | 0 | 115.3 | V489 Q490 K496 I497 | V489-L494 PolarHBondContact O-N 3.07Å; Q490-L494 HydrophobicContact CB-CD1 4.22Å; Q490-L494 HydrophobicContact CG-CD1 3.82Å; L494-K496 PolarHBondContact O-N 3.32Å; L494-I497 PolarHBondContact O-N 2.81Å |
| 495 | P | 45.9 | Very low | 45.5 | Very low | 69 Ų | 69 | 120.7 Ų | 120.7 | 45% | 0.448 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.2 | -25.9 | 178.1 | -22.9 | 34.9 | 0 | 0 | 0 | 113.5 | I491 | I491-P495 WeakPolarHBondContact O-CD 2.98Å; I491-P495 VanDerWaalsContact O-CG 3.31Å; I491-P495 WeakPolarHBondContact O-CG 3.31Å |
| 496 | K | 44.2 | Very low | 45.4 | Very low | 154 Ų | 154 | 123.6 Ų | 123.6 | 67% | 0.67 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -84.7 | -19.1 | -179.2 | -72.1 | -168.2 | 173.9 | -175.7 | 0 | 114.3 | I493 L494 | I493-K496 PolarHBondContact O-N 2.67Å; L494-K496 PolarHBondContact O-N 3.32Å |
| 497 | I | 46.3 | Very low | 45.3 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 62% | 0.621 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -78.1 | -26.4 | 174.9 | -64 | 172 | 0 | 0 | 0 | 110.9 | I493 L494 | I493-I497 HydrophobicContact CG2-CD1 4.1Å; L494-I497 PolarHBondContact O-N 2.81Å |
| 498 | K | 42.1 | Very low | 45.1 | Very low | 193 Ų | 193 | 120.9 Ų | 120.9 | 84% | 0.839 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -1.3 | 176.7 | -76.1 | -171.1 | 175.7 | -176.2 | 0 | 115.1 | ||
| 499 | Q | 37.8 | Very low | 44.9 | Very low | 158 Ų | 158 | 126.6 Ų | 126.6 | 74% | 0.738 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | 32.9 | -178.5 | -71.9 | -169.1 | -8.4 | 0 | 0 | 114.3 | P501 | Q499-P501 WeakPolarHBondContact O-CD 3.07Š|
| 500 | R | 31.9 | Very low | 44.2 | Very low | 231 Ų | 231 | 133.1 Ų | 133.1 | 87% | 0.872 | 65% | 0.653 | S | S | * | * | trans | -94.8 | 108.9 | 157.2 | -81 | -172.7 | 176.5 | -176.8 | -1.4 | 108.3 | ||||
| 501 | P | 43.5 | Very low | 43.6 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 79% | 0.786 | 66% | 0.663 | S | S | * | * | trans | -73.4 | 138.1 | 168.2 | 31.5 | -29.2 | 0 | 0 | 0 | 108.6 | Q499 | Q499-P501 WeakPolarHBondContact O-CD 3.07Š| ||
| 502 | N | 37.6 | Very low | 42.6 | Very low | 241 Ų | 241 | 137.8 Ų | 137.8 | 100% | 1.289 | 68% | 0.677 | S | S | * | * | trans | -61.2 | 0 | 156.6 | -83.1 | -21.3 | 0 | 0 | 0 | 110.3 |
Retrieved 502 of 502 residues in 192.9 ms
(Link to these results)