| 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 | 92.3 | Very high | 86.1 | Confident | 52 Ų | 52 | 86.8 Ų | 86.8 | 26% | 0.256 | 41% | 0.411 | S | S | . | . | 0 | 126.7 | 0 | -68 | 168.4 | -83.8 | 0 | 0 | 107.8 | W17 T54 L55 I57 Y68 F83 V85 | M1-W17 HydrophobicContact CB-CH2 3.83Å; M1-W17 HydrophobicContact CB-CZ3 3.93Å; M1-W17 HydrophobicContact SD-CZ3 4.4Å; M1-T54 CarbonylContact O-C 3.5Å; M1-T54 WeakPolarHBondContact O-CA 3.45Å; M1-L55 HydrophobicContact CB-CB 4.42Å; M1-L55 HydrophobicContact CE-CB 4.36Å; M1-L55 HydrophobicContact CE-CD2 3.46Å; M1-L55 VanDerWaalsContact CE-CD2 3.46Å; M1-L55 HydrophobicContact CE-CG 3.82Å; M1-L55 PolarHBondContact N-O 2.87Å; M1-L55 PolarHBondContact O-N 2.97Å; M1-L55 HydrophobicContact SD-CD2 4.46Å; M1-I57 HydrophobicContact CE-CD1 3.88Å; M1-I57 HydrophobicContact CE-CG1 4.33Å; M1-Y68 HydrophobicContact CE-CD1 3.83Å; M1-Y68 HydrophobicContact CE-CD2 3.91Å; M1-Y68 HydrophobicContact CE-CE1 4.11Å; M1-Y68 HydrophobicContact CE-CE2 4.18Å; M1-Y68 HydrophobicContact CE-CG 3.72Å; M1-Y68 WeakPolarHBondContact SD-CB 3.3Å; M1-Y68 HydrophobicContact SD-CD1 4.21Å; M1-Y68 HydrophobicContact SD-CD2 3.7Å; M1-Y68 HydrophobicContact SD-CE2 4.48Å; M1-Y68 HydrophobicContact SD-CG 3.53Å; M1-Y68 VanDerWaalsContact SD-CG 3.53Å; M1-F83 HydrophobicContact CB-CD1 4.09Å; M1-F83 HydrophobicContact CB-CD2 4.09Å; M1-F83 HydrophobicContact CB-CE1 4.08Å; M1-F83 HydrophobicContact CB-CE2 4.09Å; M1-F83 HydrophobicContact CB-CG 4.1Å; M1-F83 HydrophobicContact CB-CZ 4.09Å; M1-F83 HydrophobicContact CG-CB 4.14Å; M1-F83 HydrophobicContact CG-CD1 3.94Å; M1-F83 HydrophobicContact CG-CD2 4.23Å; M1-F83 HydrophobicContact CG-CE1 4.42Å; M1-F83 HydrophobicContact CG-CG 3.84Å; M1-F83 HydrophobicContact SD-CB 3.85Å; M1-F83 HydrophobicContact SD-CD2 4.19Å; M1-F83 HydrophobicContact SD-CG 4.01Å; M1-V85 HydrophobicContact SD-CG2 4.2Å | |||
| 2 | V | 91.8 | Very high | 85.8 | Confident | 70 Ų | 70 | 86 Ų | 86 | 42% | 0.424 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 128.2 | -170.2 | -175.3 | 0 | 0 | 0 | 0 | 110 | E52 T54 F83 | V2-E52 HydrophobicContact CG1-CG 3.55Å; V2-T54 HydrophobicContact CG2-CG2 3.96Å; V2-F83 WeakPolarHBondContact O-CZ 3.27Å |
| 3 | V | 92.2 | Very high | 85.8 | Confident | 5 Ų | 5 | 81.3 Ų | 81.3 | 3% | 0.03 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 130 | 178.1 | 178.1 | 0 | 0 | 0 | 0 | 109 | W17 E52 R53 C70 I72 V81 F83 | V3-W17 HydrophobicContact CG2-CH2 3.61Å; V3-W17 HydrophobicContact CG2-CZ2 3.88Å; V3-W17 HydrophobicContact CG2-CZ3 4.47Å; V3-E52 CarbonylContact O-C 3.6Å; V3-E52 WeakPolarHBondContact O-CA 3.12Å; V3-R53 PolarHBondContact N-O 3.22Å; V3-R53 PolarHBondContact O-N 3.21Å; V3-C70 HydrophobicContact CG2-CB 3.88Å; V3-I72 HydrophobicContact CG1-CD1 3.85Å; V3-V81 HydrophobicContact CG1-CG2 4.17Å; V3-V81 HydrophobicContact CG2-CB 4.27Å; V3-V81 HydrophobicContact CG2-CG1 4.34Å; V3-F83 HydrophobicContact CG2-CE2 3.74Å; V3-F83 HydrophobicContact CG2-CZ 3.88Å |
| 4 | K | 91.4 | Very high | 85.9 | Confident | 136 Ų | 136 | 82.4 Ų | 82.4 | 59% | 0.591 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 135.2 | 175.6 | -66.8 | -178.7 | 174.3 | -170.5 | 0 | 109.7 | T50 Q51 E52 | K4-T50 HydrophobicContact CB-CG2 4.3Å; K4-Q51 CarbonylContact C-O 3.42Å; K4-Q51 VanDerWaalsContact CA-O 3.26Å; K4-Q51 WeakPolarHBondContact CA-O 3.28Å; K4-E52 WeakPolarHBondContact CE-OE2 3.12Å; K4-E52 HydrophobicContact CG-CB 4.35Å; K4-E52 HydrophobicContact CG-CG 4.11Å; K4-E52 IonicContact NZ-OE2 3.4Å; K4-E52 PolarHBondContact NZ-OE2 2.87Å |
| 5 | Y | 89.9 | Confident | 86.1 | Confident | 23 Ų | 23 | 79.6 Ų | 79.6 | 9% | 0.09 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 162.9 | -177.8 | 68.7 | -87.1 | 0 | 0 | 0 | 112.7 | A7 V13 L15 Q51 R53 I72 | Y5-A7 HydrophobicContact CD2-CB 4.01Å; Y5-A7 HydrophobicContact CE2-CB 4.09Å; Y5-V13 HydrophobicContact CE2-CG1 3.69Å; Y5-V13 HydrophobicContact CE2-CG2 4.43Å; Y5-L15 HydrophobicContact CD1-CD2 4.41Å; Y5-L15 HydrophobicContact CE1-CD1 3.6Å; Y5-L15 HydrophobicContact CE1-CD2 3.98Å; Y5-L15 HydrophobicContact CE1-CG 4.36Å; Y5-L15 HydrophobicContact CE2-CD1 4.47Å; Y5-L15 VanDerWaalsContact OH-CD1 3.23Å; Y5-L15 WeakPolarHBondContact OH-CD1 3.44Å; Y5-Q51 HydrophobicContact CD1-CB 3.97Å; Y5-Q51 HydrophobicContact CD2-CB 4.05Å; Y5-Q51 HydrophobicContact CD2-CG 4.37Å; Y5-Q51 HydrophobicContact CE1-CB 3.48Å; Y5-Q51 VanDerWaalsContact CE1-CB 3.48Å; Y5-Q51 HydrophobicContact CE1-CG 4.45Å; Y5-Q51 HydrophobicContact CE2-CB 3.56Å; Y5-Q51 HydrophobicContact CE2-CG 3.69Å; Y5-Q51 HydrophobicContact CG-CB 4.23Å; Y5-Q51 PolarHBondContact N-O 3.45Å; Y5-Q51 PolarHBondContact O-N 2.81Å; Y5-R53 HydrophobicContact CE1-CG 3.94Å; Y5-I72 HydrophobicContact CD1-CD1 4.14Å; Y5-I72 HydrophobicContact CD2-CG2 4.16Å; Y5-I72 HydrophobicContact CE2-CG2 4.42Å; Y5-I72 HydrophobicContact CG-CD1 4.05Å; Y5-I72 HydrophobicContact CG-CG2 4.36Å |
| 6 | E | 87.2 | Confident | 86.3 | Confident | 141 Ų | 141 | 80.6 Ų | 80.6 | 66% | 0.659 | 39% | 0.389 | S | S | * | . | trans | -123.9 | 134.2 | 171.2 | -62.6 | -174.2 | 165.5 | 0 | 0 | 108.5 | T50 | E6-T50 PolarHBondContact OE1-OG1 3.05Š| ||
| 7 | A | 85.1 | Confident | 86.6 | Confident | 23 Ų | 23 | 76.4 Ų | 76.4 | 19% | 0.19 | 37% | 0.369 | C | S | . | . | trans | -154.9 | 149.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y5 L10 V13 V74 | Y5-A7 HydrophobicContact CD2-CB 4.01Å; Y5-A7 HydrophobicContact CE2-CB 4.09Å; A7-L10 VanDerWaalsContact O-CD2 3.32Å; A7-L10 WeakPolarHBondContact O-CD2 3.31Å; A7-V13 HydrophobicContact CB-CG2 3.54Å; A7-V74 HydrophobicContact CB-CG2 3.78Å | ||
| 8 | W | 79.4 | Confident | 86.7 | Confident | 219 Ų | 219 | 73.3 Ų | 73.3 | 83% | 0.83 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -147 | 138.1 | 175.5 | -171.3 | -90.6 | 0 | 0 | 0 | 111.4 | ||
| 9 | P | 81.1 | Confident | 86.7 | Confident | 36 Ų | 36 | 70.6 Ų | 70.6 | 23% | 0.234 | 34% | 0.34 | C | S | . | . | S | Bend | cis | -72.2 | 144.7 | -6 | 32.9 | -35 | 0 | 0 | 0 | 111.2 | E11 D12 | P9-E11 HydrophobicContact CB-CG 4.19Å; P9-E11 PolarHBondContact O-N 3.38Å; P9-D12 HydrophobicContact CG-CB 4.06Å; P9-D12 VanDerWaalsContact CG-OD2 3.25Å; P9-D12 WeakPolarHBondContact CG-OD2 3.44Å; P9-D12 PolarHBondContact O-N 2.94Å |
| 10 | L | 79.1 | Confident | 86 | Confident | 77 Ų | 77 | 68.6 Ų | 68.6 | 40% | 0.403 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -64.9 | -25.2 | -174.8 | -76.3 | 170.3 | 0 | 0 | 0 | 113.4 | A7 D12 V13 Q51 | A7-L10 VanDerWaalsContact O-CD2 3.32Å; A7-L10 WeakPolarHBondContact O-CD2 3.31Å; L10-D12 VanDerWaalsContact C-N 3.29Å; L10-D12 PolarHBondContact O-N 2.78Å; L10-V13 WeakPolarHBondContact O-CG2 3.31Å; L10-V13 PolarHBondContact O-N 3.46Å; L10-Q51 HydrophobicContact CD2-CG 3.74Å |
| 11 | E | 77.2 | Confident | 84.9 | Confident | 173 Ų | 173 | 68.4 Ų | 68.4 | 81% | 0.808 | 33% | 0.326 | S | S | * | . | G | 310 helix | trans | -71.3 | -20.8 | 179.5 | 63.4 | -152.8 | 171.3 | 0 | 0 | 113.9 | P9 | P9-E11 HydrophobicContact CB-CG 4.19Å; P9-E11 PolarHBondContact O-N 3.38Å |
| 12 | D | 82.7 | Confident | 82.9 | Confident | 77 Ų | 77 | 70.5 Ų | 70.5 | 41% | 0.412 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -94.3 | 3.4 | 179.8 | -71.3 | -15.2 | 0 | 0 | 0 | 113.3 | P9 L10 I14 V74 | P9-D12 HydrophobicContact CG-CB 4.06Å; P9-D12 VanDerWaalsContact CG-OD2 3.25Å; P9-D12 WeakPolarHBondContact CG-OD2 3.44Å; P9-D12 PolarHBondContact O-N 2.94Å; L10-D12 VanDerWaalsContact C-N 3.29Å; L10-D12 PolarHBondContact O-N 2.78Å; D12-I14 PolarHBondContact O-N 3.47Å; D12-V74 HydrophobicContact CB-CG1 4.43Å |
| 13 | V | 86.4 | Confident | 80.6 | Confident | 25 Ų | 25 | 68.8 Ų | 68.8 | 15% | 0.152 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 118.4 | -176.6 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | Y5 A7 L10 L15 I72 T73 V74 | Y5-V13 HydrophobicContact CE2-CG1 3.69Å; Y5-V13 HydrophobicContact CE2-CG2 4.43Å; A7-V13 HydrophobicContact CB-CG2 3.54Å; L10-V13 WeakPolarHBondContact O-CG2 3.31Å; L10-V13 PolarHBondContact O-N 3.46Å; V13-L15 HydrophobicContact CG1-CD1 3.82Å; V13-I72 HydrophobicContact CG1-CG2 3.92Å; V13-T73 CarbonylContact C-O 3.56Å; V13-T73 WeakPolarHBondContact CA-O 3.26Å; V13-V74 HydrophobicContact CB-CG2 4.48Å; V13-V74 HydrophobicContact CG1-CG2 4.3Å; V13-V74 HydrophobicContact CG2-CG1 4.45Å; V13-V74 HydrophobicContact CG2-CG2 3.97Å |
| 14 | I | 87.4 | Confident | 78.2 | Confident | 96 Ų | 96 | 72 Ų | 72 | 49% | 0.492 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 124.5 | 173.9 | -55.4 | 172.3 | 0 | 0 | 0 | 108.6 | D12 E16 T73 | D12-I14 PolarHBondContact O-N 3.47Å; I14-E16 HydrophobicContact CG2-CG 4.22Å; I14-T73 PolarHBondContact N-O 3.24Å; I14-T73 PolarHBondContact O-N 2.77Å |
| 15 | L | 87.9 | Confident | 75.7 | Confident | 41 Ų | 41 | 68.5 Ų | 68.5 | 22% | 0.215 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.5 | 170 | -80.4 | 103.6 | 0 | 0 | 0 | 112.2 | Y5 V13 R53 C70 F71 I72 | Y5-L15 HydrophobicContact CD1-CD2 4.41Å; Y5-L15 HydrophobicContact CE1-CD1 3.6Å; Y5-L15 HydrophobicContact CE1-CD2 3.98Å; Y5-L15 HydrophobicContact CE1-CG 4.36Å; Y5-L15 HydrophobicContact CE2-CD1 4.47Å; Y5-L15 VanDerWaalsContact OH-CD1 3.23Å; Y5-L15 WeakPolarHBondContact OH-CD1 3.44Å; V13-L15 HydrophobicContact CG1-CD1 3.82Å; L15-R53 HydrophobicContact CD1-CG 4.04Å; L15-R53 HydrophobicContact CD2-CB 4.02Å; L15-R53 HydrophobicContact CD2-CG 3.84Å; L15-R53 HydrophobicContact CG-CG 4.49Å; L15-C70 VanDerWaalsContact CD2-SG 3.53Å; L15-F71 VanDerWaalsContact CA-O 3.27Å; L15-F71 WeakPolarHBondContact CA-O 3.1Å; L15-I72 HydrophobicContact CD2-CG1 3.66Å; L15-I72 HydrophobicContact CG-CB 4.5Å; L15-I72 HydrophobicContact CG-CG1 3.97Å; L15-I72 HydrophobicContact CG-CG2 4.45Å |
| 16 | E | 90.1 | Very high | 73.2 | Confident | 95 Ų | 95 | 70.1 Ų | 70.1 | 44% | 0.444 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 125.1 | 176.8 | -65.4 | -174 | 158.6 | 0 | 0 | 110.6 | I14 F18 C70 F71 | I14-E16 HydrophobicContact CG2-CG 4.22Å; E16-F18 HydrophobicContact CB-CD2 4.43Å; E16-F18 HydrophobicContact CB-CE2 3.58Å; E16-F18 HydrophobicContact CB-CZ 4.02Å; E16-F18 WeakPolarHBondContact OE2-CZ 3.43Å; E16-C70 CarbonylContact O-C 3.59Å; E16-C70 WeakPolarHBondContact O-CA 3.31Å; E16-F71 PolarHBondContact N-O 2.84Å; E16-F71 PolarHBondContact O-N 3.24Å |
| 17 | W | 91.4 | Very high | 71 | Confident | 10 Ų | 10 | 68.8 Ų | 68.8 | 4% | 0.038 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 138.6 | 173.9 | -73.4 | 88.8 | 0 | 0 | 0 | 110.4 | M1 V3 V32 V33 L55 T69 C70 F83 | M1-W17 HydrophobicContact CB-CH2 3.83Å; M1-W17 HydrophobicContact CB-CZ3 3.93Å; M1-W17 HydrophobicContact SD-CZ3 4.4Å; V3-W17 HydrophobicContact CG2-CH2 3.61Å; V3-W17 HydrophobicContact CG2-CZ2 3.88Å; V3-W17 HydrophobicContact CG2-CZ3 4.47Å; W17-V32 CarbonylContact O-C 3.55Å; W17-V32 WeakPolarHBondContact O-CA 3.19Å; W17-V33 HydrophobicContact CB-CB 3.8Å; W17-V33 HydrophobicContact CB-CG2 3.78Å; W17-V33 PolarHBondContact O-N 3.42Å; W17-L55 HydrophobicContact CB-CD2 4.24Å; W17-L55 HydrophobicContact CD2-CB 3.75Å; W17-L55 HydrophobicContact CD2-CD2 3.68Å; W17-L55 HydrophobicContact CD2-CG 4.26Å; W17-L55 HydrophobicContact CE3-CB 3.9Å; W17-L55 HydrophobicContact CE3-CD2 3.41Å; W17-L55 VanDerWaalsContact CE3-CD2 3.41Å; W17-L55 HydrophobicContact CE3-CG 4.28Å; W17-L55 HydrophobicContact CG-CB 4.41Å; W17-L55 HydrophobicContact CG-CD2 4.07Å; W17-L55 HydrophobicContact CH2-CB 3.79Å; W17-L55 HydrophobicContact CZ2-CB 3.65Å; W17-L55 HydrophobicContact CZ3-CB 3.92Å; W17-L55 HydrophobicContact CZ3-CD2 3.96Å; W17-T69 CarbonylContact C-O 3.41Å; W17-T69 WeakPolarHBondContact CA-O 3.31Å; W17-C70 HydrophobicContact CD2-CB 3.83Å; W17-C70 VanDerWaalsContact CE2-SG 3.53Å; W17-C70 HydrophobicContact CE3-CB 3.75Å; W17-C70 HydrophobicContact CH2-CB 4.04Å; W17-C70 HydrophobicContact CZ2-CB 4.1Å; W17-C70 HydrophobicContact CZ3-CB 3.86Å; W17-F83 HydrophobicContact CH2-CD2 4.4Å; W17-F83 AromaticContact CH2-CE2 3.76Å; W17-F83 HydrophobicContact CH2-CE2 3.76Å; W17-F83 HydrophobicContact CH2-CZ 4.4Å; W17-F83 AromaticContact CZ3-CD2 3.91Å; W17-F83 HydrophobicContact CZ3-CD2 3.91Å; W17-F83 AromaticContact CZ3-CE2 3.71Å; W17-F83 HydrophobicContact CZ3-CE2 3.71Å |
| 18 | F | 88.2 | Confident | 69.1 | Low | 21 Ų | 21 | 73.8 Ų | 73.8 | 9% | 0.092 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 141.1 | 176.1 | -61.2 | -92.4 | 0 | 0 | 0 | 110.3 | E16 K30 V31 V32 Y68 T69 F71 | E16-F18 HydrophobicContact CB-CD2 4.43Å; E16-F18 HydrophobicContact CB-CE2 3.58Å; E16-F18 HydrophobicContact CB-CZ 4.02Å; E16-F18 WeakPolarHBondContact OE2-CZ 3.43Å; F18-K30 HydrophobicContact CB-CG 3.9Å; F18-K30 HydrophobicContact CD1-CD 3.98Å; F18-K30 HydrophobicContact CD1-CG 3.53Å; F18-K30 HydrophobicContact CE1-CD 4.36Å; F18-K30 VanDerWaalsContact CE1-CE 3.48Å; F18-K30 HydrophobicContact CE1-CG 4.28Å; F18-K30 HydrophobicContact CG-CD 4.23Å; F18-K30 HydrophobicContact CG-CG 3.9Å; F18-V31 CarbonylContact C-O 3.53Å; F18-V31 WeakPolarHBondContact CA-O 3.25Å; F18-V32 HydrophobicContact CD1-CB 4.44Å; F18-V32 HydrophobicContact CD1-CG2 3.83Å; F18-V32 HydrophobicContact CE1-CB 4.45Å; F18-V32 HydrophobicContact CE1-CG2 3.43Å; F18-V32 VanDerWaalsContact CE1-CG2 3.43Å; F18-V32 HydrophobicContact CZ-CG2 4.22Å; F18-Y68 CarbonylContact O-C 3.58Å; F18-Y68 WeakPolarHBondContact O-CA 3.38Å; F18-T69 PolarHBondContact N-O 2.89Å; F18-T69 PolarHBondContact O-N 3.46Å; F18-F71 AromaticContact CD2-CD2 3.37Å; F18-F71 HydrophobicContact CD2-CD2 3.37Å; F18-F71 AromaticContact CD2-CE2 3.78Å; F18-F71 HydrophobicContact CD2-CE2 3.78Å; F18-F71 HydrophobicContact CD2-CG 4.44Å; F18-F71 HydrophobicContact CE2-CB 4.28Å; F18-F71 AromaticContact CE2-CD2 3.32Å; F18-F71 HydrophobicContact CE2-CD2 3.32Å; F18-F71 AromaticContact CE2-CE2 3.93Å; F18-F71 HydrophobicContact CE2-CE2 3.93Å; F18-F71 HydrophobicContact CE2-CG 4.03Å; F18-F71 HydrophobicContact CZ-CD2 4.45Å |
| 19 | H | 85.8 | Confident | 67.7 | Low | 22 Ų | 22 | 66.9 Ų | 66.9 | 10% | 0.102 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 130.2 | 168.8 | -178.3 | -148.3 | 0 | 0 | 0 | 108.6 | Y21 V31 V33 D64 G65 S67 Y68 | H19-Y21 AromaticContact CE1-CD1 3.74Å; H19-Y21 AromaticContact ND1-CD1 3.63Å; H19-V31 PolarHBondContact N-O 3.03Å; H19-V31 PolarHBondContact O-N 3.02Å; H19-V33 HydrophobicContact CB-CG2 4.04Å; H19-D64 PolarHBondContact NE2-O 2.81Å; H19-G65 PolarHBondContact NE2-O 2.91Å; H19-S67 CarbonylContact C-O 3.53Å; H19-S67 PolarHBondContact CD2-O 2.79Å; H19-Y68 HydrophobicContact CB-CD1 3.78Å; H19-Y68 HydrophobicContact CB-CE1 3.54Å; H19-Y68 AromaticContact CD2-CD1 3.85Å; H19-Y68 AromaticContact CD2-CD2 3.72Å; H19-Y68 AromaticContact CD2-CE1 3.44Å; H19-Y68 VanDerWaalsContact CD2-CE1 3.44Å; H19-Y68 WeakPolarHBondContact CD2-CE1 3.47Å; H19-Y68 AromaticContact CD2-CE2 3.3Å; H19-Y68 WeakPolarHBondContact CD2-CE2 3.42Å; H19-Y68 AromaticContact CD2-CG 3.98Å; H19-Y68 AromaticContact CD2-CZ 3.14Å; H19-Y68 AromaticContact CE1-CZ 3.96Å; H19-Y68 AromaticContact CG-CE1 3.51Å; H19-Y68 AromaticContact CG-CZ 3.58Å; H19-Y68 AromaticContact NE2-CE2 3.52Å; H19-Y68 AromaticContact NE2-CZ 3.41Å; H19-Y68 PolarHBondContact NE2-OH 3.47Å |
| 20 | H | 73.7 | Confident | 66.8 | Low | 30 Ų | 30 | 70 Ų | 70 | 14% | 0.139 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 78.6 | -177.5 | -65.7 | 96.1 | 0 | 0 | 0 | 108.3 | F28 Q29 K30 S67 T69 | H20-F28 HydrophobicContact CB-CD1 4.46Å; H20-Q29 WeakPolarHBondContact CA-O 3.36Å; H20-K30 WeakPolarHBondContact NE2-CB 3.34Å; H20-K30 WeakPolarHBondContact NE2-CD 3.13Å; H20-K30 WeakPolarHBondContact NE2-CG 3.24Å; H20-S67 CarbonylContact C-O 3.53Å; H20-S67 WeakPolarHBondContact CA-O 3.28Å; H20-S67 WeakPolarHBondContact CB-O 3.48Å; H20-S67 PolarHBondContact N-O 3.5Å; H20-S67 PolarHBondContact O-N 3.36Å; H20-T69 VanDerWaalsContact CE1-CB 3.47Å; H20-T69 WeakPolarHBondContact CE1-CB 3.49Å; H20-T69 PolarHBondContact CE1-OG1 2.82Å; H20-T69 PolarHBondContact ND1-OG1 3.11Å |
| 21 | Y | 62.8 | Low | 66.6 | Low | 64 Ų | 64 | 69.4 Ų | 69.4 | 25% | 0.251 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 148.2 | 174.8 | 62 | -81.7 | 0 | 0 | 0 | 110.8 | H19 K23 Q29 V31 G65 | H19-Y21 AromaticContact CE1-CD1 3.74Å; H19-Y21 AromaticContact ND1-CD1 3.63Å; Y21-K23 HydrophobicContact CD2-CB 4.45Å; Y21-K23 HydrophobicContact CE2-CB 4.26Å; Y21-K23 PolarHBondContact O-N 2.89Å; Y21-Q29 HydrophobicContact CE1-CB 4.42Å; Y21-Q29 PolarHBondContact OH-OE1 3.16Å; Y21-V31 HydrophobicContact CE1-CG2 4.07Å; Y21-G65 VanDerWaalsContact CB-O 3.24Å; Y21-G65 WeakPolarHBondContact CB-O 3.39Å |
| 22 | I | 49.8 | Very low | 66.8 | Low | 97 Ų | 97 | 65 Ų | 65 | 50% | 0.497 | 35% | 0.347 | S | S | . | . | trans | -86.9 | 107.9 | 170.8 | -61.6 | 170.9 | 0 | 0 | 0 | 106.2 | F28 | I22-F28 HydrophobicContact CD1-CE1 3.84Å; I22-F28 HydrophobicContact CD1-CZ 3.86Å; I22-F28 HydrophobicContact CG1-CD1 3.96Å; I22-F28 HydrophobicContact CG1-CE1 3.42Å; I22-F28 VanDerWaalsContact CG1-CE1 3.42Å; I22-F28 HydrophobicContact CG1-CZ 3.83Å | ||
| 23 | K | 43.9 | Very low | 66.8 | Low | 34 Ų | 34 | 61.6 Ų | 61.6 | 15% | 0.148 | 33% | 0.329 | C | S | . | . | trans | -82 | 107.1 | 157 | -173.6 | 172.6 | 174.7 | -155.4 | 0 | 105.2 | Y21 G25 E26 G168 | Y21-K23 HydrophobicContact CD2-CB 4.45Å; Y21-K23 HydrophobicContact CE2-CB 4.26Å; Y21-K23 PolarHBondContact O-N 2.89Å; K23-G25 PolarHBondContact O-N 2.81Å; K23-E26 HydrophobicContact CB-CB 4.1Å; K23-E26 HydrophobicContact CD-CB 4.49Å; K23-E26 HydrophobicContact CD-CG 4.35Å; K23-E26 WeakPolarHBondContact CE-OE1 3.48Å; K23-E26 HydrophobicContact CG-CB 4.33Å; K23-E26 IonicContact NZ-OE1 3.59Å; K23-E26 PolarHBondContact NZ-OE1 3.2Å; K23-E26 IonicContact NZ-OE2 2.74Å; K23-E26 WeakPolarHBondContact O-CA 3.21Å; K23-E26 PolarHBondContact O-N 2.9Å; K23-G168 WeakPolarHBondContact CG-O 3.43Å | ||
| 24 | V | 42.2 | Very low | 66.4 | Low | 72 Ų | 72 | 64.7 Ų | 64.7 | 44% | 0.436 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.8 | 130.5 | 178.6 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | E26 E167 G168 | V24-E26 VanDerWaalsContact C-N 3.32Å; V24-E26 PolarHBondContact O-N 2.92Å; V24-E167 HydrophobicContact CB-CB 4.5Å; V24-E167 HydrophobicContact CG1-CB 4.29Å; V24-E167 HydrophobicContact CG1-CG 4.18Å; V24-E167 CarbonylContact O-C 3.52Å; V24-E167 WeakPolarHBondContact O-CB 3.13Å; V24-G168 WeakPolarHBondContact O-CA 3.46Å; V24-G168 PolarHBondContact O-N 3.36Å |
| 25 | G | 38.2 | Very low | 65.7 | Low | 62 Ų | 62 | 65.5 Ų | 65.5 | 64% | 0.639 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | -13.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | K23 | K23-G25 PolarHBondContact O-N 2.81Š|
| 26 | E | 37.9 | Very low | 65.3 | Low | 57 Ų | 57 | 67.9 Ų | 67.9 | 27% | 0.266 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -114.4 | 146.6 | 172.4 | -75.3 | -175 | -153.9 | 0 | 0 | 111.4 | K23 V24 Q29 | K23-E26 HydrophobicContact CB-CB 4.1Å; K23-E26 HydrophobicContact CD-CB 4.49Å; K23-E26 HydrophobicContact CD-CG 4.35Å; K23-E26 WeakPolarHBondContact CE-OE1 3.48Å; K23-E26 HydrophobicContact CG-CB 4.33Å; K23-E26 IonicContact NZ-OE1 3.59Å; K23-E26 PolarHBondContact NZ-OE1 3.2Å; K23-E26 IonicContact NZ-OE2 2.74Å; K23-E26 WeakPolarHBondContact O-CA 3.21Å; K23-E26 PolarHBondContact O-N 2.9Å; V24-E26 VanDerWaalsContact C-N 3.32Å; V24-E26 PolarHBondContact O-N 2.92Å; E26-Q29 PolarHBondContact OE2-NE2 2.96Å |
| 27 | P | 41.6 | Very low | 64.9 | Low | 113 Ų | 113 | 65.3 Ų | 65.3 | 73% | 0.734 | 36% | 0.359 | S | S | * | . | trans | -65.1 | 156.6 | 174.9 | 27.1 | -32.7 | 0 | 0 | 0 | 111.4 | Q29 | P27-Q29 PolarHBondContact O-N 3.41Š| ||
| 28 | F | 43.7 | Very low | 64.6 | Low | 128 Ų | 128 | 70.5 Ų | 70.5 | 56% | 0.561 | 39% | 0.394 | S | S | * | . | trans | -45.1 | 113.4 | 178.2 | -73.2 | -88.8 | 0 | 0 | 0 | 111.7 | H20 I22 | H20-F28 HydrophobicContact CB-CD1 4.46Å; I22-F28 HydrophobicContact CD1-CE1 3.84Å; I22-F28 HydrophobicContact CD1-CZ 3.86Å; I22-F28 HydrophobicContact CG1-CD1 3.96Å; I22-F28 HydrophobicContact CG1-CE1 3.42Å; I22-F28 VanDerWaalsContact CG1-CE1 3.42Å; I22-F28 HydrophobicContact CG1-CZ 3.83Å | ||
| 29 | Q | 51.2 | Low | 64.6 | Low | 74 Ų | 74 | 70.9 Ų | 70.9 | 35% | 0.346 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 116.8 | 172.7 | -68.7 | -165 | 3.2 | 0 | 0 | 109.2 | H20 Y21 E26 P27 V31 | H20-Q29 WeakPolarHBondContact CA-O 3.36Å; Y21-Q29 HydrophobicContact CE1-CB 4.42Å; Y21-Q29 PolarHBondContact OH-OE1 3.16Å; E26-Q29 PolarHBondContact OE2-NE2 2.96Å; P27-Q29 PolarHBondContact O-N 3.41Å; Q29-V31 HydrophobicContact CB-CG2 4.35Å |
| 30 | K | 61.1 | Low | 64.8 | Low | 101 Ų | 101 | 70.9 Ų | 70.9 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 103.9 | 171.8 | -179.4 | 174.9 | -177.3 | -171.9 | 0 | 109.2 | F18 H20 | F18-K30 HydrophobicContact CB-CG 3.9Å; F18-K30 HydrophobicContact CD1-CD 3.98Å; F18-K30 HydrophobicContact CD1-CG 3.53Å; F18-K30 HydrophobicContact CE1-CD 4.36Å; F18-K30 VanDerWaalsContact CE1-CE 3.48Å; F18-K30 HydrophobicContact CE1-CG 4.28Å; F18-K30 HydrophobicContact CG-CD 4.23Å; F18-K30 HydrophobicContact CG-CG 3.9Å; H20-K30 WeakPolarHBondContact NE2-CB 3.34Å; H20-K30 WeakPolarHBondContact NE2-CD 3.13Å; H20-K30 WeakPolarHBondContact NE2-CG 3.24Å |
| 31 | V | 75.6 | Confident | 65.5 | Low | 66 Ų | 66 | 72.8 Ų | 72.8 | 40% | 0.4 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 132.3 | 179.2 | -174 | 0 | 0 | 0 | 0 | 109.2 | F18 H19 Y21 Q29 V33 | F18-V31 CarbonylContact C-O 3.53Å; F18-V31 WeakPolarHBondContact CA-O 3.25Å; H19-V31 PolarHBondContact N-O 3.03Å; H19-V31 PolarHBondContact O-N 3.02Å; Y21-V31 HydrophobicContact CE1-CG2 4.07Å; Q29-V31 HydrophobicContact CB-CG2 4.35Å; V31-V33 PolarHBondContact O-N 3.04Å |
| 32 | V | 82.3 | Confident | 66.8 | Low | 80 Ų | 80 | 73.1 Ų | 73.1 | 49% | 0.485 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 129.2 | 171.3 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | W17 F18 N34 | W17-V32 CarbonylContact O-C 3.55Å; W17-V32 WeakPolarHBondContact O-CA 3.19Å; F18-V32 HydrophobicContact CD1-CB 4.44Å; F18-V32 HydrophobicContact CD1-CG2 3.83Å; F18-V32 HydrophobicContact CE1-CB 4.45Å; F18-V32 HydrophobicContact CE1-CG2 3.43Å; F18-V32 VanDerWaalsContact CE1-CG2 3.43Å; F18-V32 HydrophobicContact CZ-CG2 4.22Å; V32-N34 PolarHBondContact O-N 2.85Å |
| 33 | V | 82.5 | Confident | 68.7 | Low | 6 Ų | 6 | 73.6 Ų | 73.6 | 4% | 0.036 | 41% | 0.406 | C | S | . | . | trans | -64.2 | 109.4 | 177.8 | 177.8 | 0 | 0 | 0 | 0 | 108.5 | W17 H19 V31 D35 I40 K42 L55 Y68 | W17-V33 HydrophobicContact CB-CB 3.8Å; W17-V33 HydrophobicContact CB-CG2 3.78Å; W17-V33 PolarHBondContact O-N 3.42Å; H19-V33 HydrophobicContact CB-CG2 4.04Å; V31-V33 PolarHBondContact O-N 3.04Å; V33-D35 PolarHBondContact O-N 3.27Å; V33-I40 HydrophobicContact CG1-CD1 3.77Å; V33-I40 HydrophobicContact CG1-CG2 3.78Å; V33-K42 PolarHBondContact O-NZ 2.76Å; V33-L55 HydrophobicContact CB-CD2 4.48Å; V33-L55 HydrophobicContact CG1-CD1 3.78Å; V33-L55 HydrophobicContact CG1-CD2 4Å; V33-L55 HydrophobicContact CG2-CD2 4.08Å; V33-Y68 HydrophobicContact CG2-CD1 3.86Å; V33-Y68 HydrophobicContact CG2-CE1 4.03Å | ||
| 34 | N | 76.7 | Confident | 70.7 | Confident | 89 Ų | 89 | 73.5 Ų | 73.5 | 48% | 0.476 | 42% | 0.415 | S | S | . | . | trans | -69.4 | 126.3 | -169.3 | -170.7 | 11 | 0 | 0 | 0 | 112.1 | V32 S36 | V32-N34 PolarHBondContact O-N 2.85Å; N34-S36 WeakPolarHBondContact ND2-CB 3.48Å; N34-S36 PolarHBondContact ND2-OG 2.82Å; N34-S36 VanDerWaalsContact ND2-OG 3.17Å; N34-S36 PolarHBondContact O-N 3.25Å; N34-S36 PolarHBondContact OD1-N 3.08Å; N34-S36 PolarHBondContact OD1-OG 2.93Å | ||
| 35 | D | 73.8 | Confident | 72.8 | Confident | 113 Ų | 113 | 73.6 Ų | 73.6 | 60% | 0.604 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -11.4 | 173.6 | -67.4 | -51.1 | 0 | 0 | 0 | 113.1 | V33 K42 | V33-D35 PolarHBondContact O-N 3.27Å; D35-K42 WeakPolarHBondContact OD1-CD 3.43Å; D35-K42 WeakPolarHBondContact OD1-CE 3.39Å; D35-K42 IonicContact OD1-NZ 3.84Å; D35-K42 PolarHBondContact OD1-NZ 3.11Å; D35-K42 IonicContact OD2-NZ 3.82Å; D35-K42 PolarHBondContact OD2-NZ 3.43Å |
| 36 | S | 79.6 | Confident | 75 | Confident | 92 Ų | 92 | 74.9 Ų | 74.9 | 64% | 0.643 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -15.9 | 176.4 | -26.7 | 0 | 0 | 0 | 0 | 114.4 | N34 P38 | N34-S36 WeakPolarHBondContact ND2-CB 3.48Å; N34-S36 PolarHBondContact ND2-OG 2.82Å; N34-S36 VanDerWaalsContact ND2-OG 3.17Å; N34-S36 PolarHBondContact O-N 3.25Å; N34-S36 PolarHBondContact OD1-N 3.08Å; N34-S36 PolarHBondContact OD1-OG 2.93Å; S36-P38 WeakPolarHBondContact O-CD 3.43Å |
| 37 | D | 81.2 | Confident | 77.1 | Confident | 40 Ų | 40 | 77.8 Ų | 77.8 | 21% | 0.214 | 42% | 0.421 | C | S | . | . | trans | -76.8 | 115.1 | 178.8 | -174.8 | -19.8 | 0 | 0 | 0 | 108.7 | R39 I40 | D37-R39 PolarHBondContact O-N 3.25Å; D37-R39 VanDerWaalsContact OD1-CB 3.23Å; D37-R39 WeakPolarHBondContact OD1-CB 3.49Å; D37-R39 WeakPolarHBondContact OD1-CG 3.28Å; D37-R39 PolarHBondContact OD1-N 2.81Å; D37-R39 IonicContact OD1-NE 2.73Å; D37-R39 PolarHBondContact OD1-NE 2.8Å; D37-R39 IonicContact OD2-CZ 3.39Å; D37-R39 IonicContact OD2-NE 3.84Å; D37-R39 PolarHBondContact OD2-NE 2.9Å; D37-R39 IonicContact OD2-NH2 2.71Å; D37-R39 PolarHBondContact OD2-NH2 2.83Å; D37-I40 HydrophobicContact CB-CB 4.35Å; D37-I40 HydrophobicContact CB-CD1 3.77Å; D37-I40 HydrophobicContact CB-CG1 3.82Å; D37-I40 WeakPolarHBondContact O-CB 3.37Å; D37-I40 PolarHBondContact O-N 2.92Å | ||
| 38 | P | 85.3 | Confident | 79 | Confident | 119 Ų | 119 | 75.6 Ų | 75.6 | 77% | 0.773 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -13.1 | -176.1 | 28.1 | -36.9 | 0 | 0 | 0 | 113.4 | S36 I40 | S36-P38 WeakPolarHBondContact O-CD 3.43Å; P38-I40 VanDerWaalsContact C-N 3.29Å |
| 39 | R | 88.7 | Confident | 80.8 | Confident | 29 Ų | 29 | 75.8 Ų | 75.8 | 11% | 0.109 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -19.2 | 174.3 | -61.9 | -179 | -54.6 | 132.3 | 7.4 | 112.8 | D37 I57 T58 N59 D64 | D37-R39 PolarHBondContact O-N 3.25Å; D37-R39 VanDerWaalsContact OD1-CB 3.23Å; D37-R39 WeakPolarHBondContact OD1-CB 3.49Å; D37-R39 WeakPolarHBondContact OD1-CG 3.28Å; D37-R39 PolarHBondContact OD1-N 2.81Å; D37-R39 IonicContact OD1-NE 2.73Å; D37-R39 PolarHBondContact OD1-NE 2.8Å; D37-R39 IonicContact OD2-CZ 3.39Å; D37-R39 IonicContact OD2-NE 3.84Å; D37-R39 PolarHBondContact OD2-NE 2.9Å; D37-R39 IonicContact OD2-NH2 2.71Å; D37-R39 PolarHBondContact OD2-NH2 2.83Å; R39-I57 CarbonylContact O-C 3.59Å; R39-I57 WeakPolarHBondContact O-CA 3.32Å; R39-T58 WeakPolarHBondContact CA-OG1 3.4Å; R39-T58 VanDerWaalsContact CB-O 3.32Å; R39-T58 WeakPolarHBondContact CB-O 3.26Å; R39-T58 PolarHBondContact O-N 2.68Å; R39-T58 PolarHBondContact O-OG1 2.88Å; R39-T58 VanDerWaalsContact O-OG1 3.06Å; R39-N59 PolarHBondContact NH1-O 3.45Å; R39-N59 VanDerWaalsContact NH1-O 3.14Å; R39-D64 IonicContact CZ-OD1 3.19Å; R39-D64 IonicContact CZ-OD2 3.38Å; R39-D64 IonicContact NH1-OD1 2.66Å; R39-D64 PolarHBondContact NH1-OD1 2.99Å; R39-D64 IonicContact NH1-OD2 3.19Å; R39-D64 PolarHBondContact NH1-OD2 2.92Å; R39-D64 IonicContact NH2-OD1 3.06Å; R39-D64 PolarHBondContact NH2-OD1 2.83Å; R39-D64 IonicContact NH2-OD2 2.77Å |
| 40 | I | 89.1 | Confident | 82.5 | Confident | 23 Ų | 23 | 74.5 Ų | 74.5 | 12% | 0.118 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 111.8 | -169.2 | -59 | -173 | 0 | 0 | 0 | 109.7 | V33 D37 P38 L55 E56 I57 | V33-I40 HydrophobicContact CG1-CD1 3.77Å; V33-I40 HydrophobicContact CG1-CG2 3.78Å; D37-I40 HydrophobicContact CB-CB 4.35Å; D37-I40 HydrophobicContact CB-CD1 3.77Å; D37-I40 HydrophobicContact CB-CG1 3.82Å; D37-I40 WeakPolarHBondContact O-CB 3.37Å; D37-I40 PolarHBondContact O-N 2.92Å; P38-I40 VanDerWaalsContact C-N 3.29Å; I40-L55 HydrophobicContact CG2-CD1 3.46Å; I40-L55 VanDerWaalsContact CG2-CD1 3.46Å; I40-E56 CarbonylContact C-O 3.42Å; I40-E56 WeakPolarHBondContact CA-O 2.87Å; I40-I57 HydrophobicContact CG1-CG1 4.39Å |
| 41 | N | 89.4 | Confident | 83.8 | Confident | 69 Ų | 69 | 70.3 Ų | 70.3 | 37% | 0.369 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.5 | 174.6 | -61.2 | -38.2 | 0 | 0 | 0 | 109.8 | Y43 E56 | N41-Y43 HydrophobicContact CB-CD1 4.43Å; N41-E56 HydrophobicContact CB-CB 4.21Å; N41-E56 PolarHBondContact N-O 2.81Å; N41-E56 PolarHBondContact ND2-OE2 2.83Å; N41-E56 PolarHBondContact O-N 2.76Å |
| 42 | K | 89.5 | Confident | 84.6 | Confident | 72 Ų | 72 | 68.6 Ų | 68.6 | 31% | 0.313 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 118.8 | 169.3 | -63.6 | -178.8 | -164.5 | 159 | 0 | 109 | V33 D35 T54 L55 | V33-K42 PolarHBondContact O-NZ 2.76Å; D35-K42 WeakPolarHBondContact OD1-CD 3.43Å; D35-K42 WeakPolarHBondContact OD1-CE 3.39Å; D35-K42 IonicContact OD1-NZ 3.84Å; D35-K42 PolarHBondContact OD1-NZ 3.11Å; D35-K42 IonicContact OD2-NZ 3.82Å; D35-K42 PolarHBondContact OD2-NZ 3.43Å; K42-T54 VanDerWaalsContact CA-O 3.31Å; K42-T54 WeakPolarHBondContact CA-O 3.14Å; K42-L55 HydrophobicContact CD-CD1 4.41Å; K42-L55 HydrophobicContact CG-CD1 3.7Å |
| 43 | Y | 89.6 | Confident | 85 | Confident | 106 Ų | 106 | 68.6 Ų | 68.6 | 42% | 0.416 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 160.5 | 176.6 | 58.4 | -89.4 | 0 | 0 | 0 | 110.6 | N41 T54 E56 | N41-Y43 HydrophobicContact CB-CD1 4.43Å; Y43-T54 HydrophobicContact CD1-CG2 4.47Å; Y43-T54 HydrophobicContact CE1-CG2 3.72Å; Y43-T54 HydrophobicContact CE2-CG2 3.84Å; Y43-T54 PolarHBondContact N-O 3.26Å; Y43-T54 PolarHBondContact O-N 3.39Å; Y43-T54 WeakPolarHBondContact OH-CG2 3.34Å; Y43-E56 HydrophobicContact CE1-CB 4.07Å |
| 44 | G | 86.3 | Confident | 85.5 | Confident | 32 Ų | 32 | 68.6 Ų | 68.6 | 33% | 0.33 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 148.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E52 | G44-E52 CarbonylContact C-O 3.55Å; G44-E52 WeakPolarHBondContact CA-O 3.29Å |
| 45 | N | 86.5 | Confident | 86.3 | Confident | 75 Ų | 75 | 64.4 Ų | 64.4 | 40% | 0.401 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 150.5 | 178.4 | -68.5 | -31.2 | 0 | 0 | 0 | 109.3 | E52 | N45-E52 HydrophobicContact CB-CB 4.28Å; N45-E52 PolarHBondContact N-O 3.38Å; N45-E52 WeakPolarHBondContact O-CA 3.36Å; N45-E52 WeakPolarHBondContact O-CB 3.43Å; N45-E52 PolarHBondContact O-N 2.95Å |
| 46 | V | 83 | Confident | 87.2 | Confident | 89 Ų | 89 | 62.8 Ų | 62.8 | 54% | 0.539 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 126.6 | 177.1 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | ||
| 47 | H | 83.5 | Confident | 87.8 | Confident | 117 Ų | 117 | 59.9 Ų | 59.9 | 54% | 0.542 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 92.3 | 178.4 | -65.8 | -60.3 | 0 | 0 | 0 | 109.9 | N49 T50 | H47-N49 PolarHBondContact O-N 2.95Å; H47-T50 PolarHBondContact N-O 2.91Å; H47-T50 PolarHBondContact O-N 2.9Å; H47-T50 VanDerWaalsContact O-N 3.08Å |
| 48 | G | 81.1 | Confident | 88.2 | Confident | 67 Ų | 67 | 60.7 Ų | 60.7 | 69% | 0.691 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | -125.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T50 | G48-T50 VanDerWaalsContact C-N 3.31Š|
| 49 | N | 81.1 | Confident | 88.3 | Confident | 133 Ų | 133 | 61.3 Ų | 61.3 | 71% | 0.711 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -12.3 | 175.9 | -67.7 | -5.3 | 0 | 0 | 0 | 113.1 | H47 | H47-N49 PolarHBondContact O-N 2.95Š|
| 50 | T | 86.7 | Confident | 88 | Confident | 47 Ų | 47 | 63.9 Ų | 63.9 | 29% | 0.288 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 131.1 | -177 | -46.1 | 0 | 0 | 0 | 0 | 111.1 | K4 E6 H47 G48 | K4-T50 HydrophobicContact CB-CG2 4.3Å; E6-T50 PolarHBondContact OE1-OG1 3.05Å; H47-T50 PolarHBondContact N-O 2.91Å; H47-T50 PolarHBondContact O-N 2.9Å; H47-T50 VanDerWaalsContact O-N 3.08Å; G48-T50 VanDerWaalsContact C-N 3.31Å |
| 51 | Q | 89.2 | Confident | 87.7 | Confident | 13 Ų | 13 | 68 Ų | 68 | 6% | 0.061 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 138.3 | 174.2 | -58.6 | -66.4 | -50.3 | 0 | 0 | 109.9 | K4 Y5 L10 | K4-Q51 CarbonylContact C-O 3.42Å; K4-Q51 VanDerWaalsContact CA-O 3.26Å; K4-Q51 WeakPolarHBondContact CA-O 3.28Å; Y5-Q51 HydrophobicContact CD1-CB 3.97Å; Y5-Q51 HydrophobicContact CD2-CB 4.05Å; Y5-Q51 HydrophobicContact CD2-CG 4.37Å; Y5-Q51 HydrophobicContact CE1-CB 3.48Å; Y5-Q51 VanDerWaalsContact CE1-CB 3.48Å; Y5-Q51 HydrophobicContact CE1-CG 4.45Å; Y5-Q51 HydrophobicContact CE2-CB 3.56Å; Y5-Q51 HydrophobicContact CE2-CG 3.69Å; Y5-Q51 HydrophobicContact CG-CB 4.23Å; Y5-Q51 PolarHBondContact N-O 3.45Å; Y5-Q51 PolarHBondContact O-N 2.81Å; L10-Q51 HydrophobicContact CD2-CG 3.74Å |
| 52 | E | 91.1 | Very high | 87 | Confident | 29 Ų | 29 | 65.1 Ų | 65.1 | 14% | 0.136 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 137.1 | 173 | -171.7 | 176.7 | 126 | 0 | 0 | 109.7 | V2 V3 K4 G44 N45 | V2-E52 HydrophobicContact CG1-CG 3.55Å; V3-E52 CarbonylContact O-C 3.6Å; V3-E52 WeakPolarHBondContact O-CA 3.12Å; K4-E52 WeakPolarHBondContact CE-OE2 3.12Å; K4-E52 HydrophobicContact CG-CB 4.35Å; K4-E52 HydrophobicContact CG-CG 4.11Å; K4-E52 IonicContact NZ-OE2 3.4Å; K4-E52 PolarHBondContact NZ-OE2 2.87Å; G44-E52 CarbonylContact C-O 3.55Å; G44-E52 WeakPolarHBondContact CA-O 3.29Å; N45-E52 HydrophobicContact CB-CB 4.28Å; N45-E52 PolarHBondContact N-O 3.38Å; N45-E52 WeakPolarHBondContact O-CA 3.36Å; N45-E52 WeakPolarHBondContact O-CB 3.43Å; N45-E52 PolarHBondContact O-N 2.95Å |
| 53 | R | 92 | Very high | 86.4 | Confident | 81 Ų | 81 | 65.1 Ų | 65.1 | 31% | 0.306 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 128.9 | 173.6 | -71.3 | -71.6 | -174.8 | -85.3 | 1.2 | 109.7 | V3 Y5 L15 | V3-R53 PolarHBondContact N-O 3.22Å; V3-R53 PolarHBondContact O-N 3.21Å; Y5-R53 HydrophobicContact CE1-CG 3.94Å; L15-R53 HydrophobicContact CD1-CG 4.04Å; L15-R53 HydrophobicContact CD2-CB 4.02Å; L15-R53 HydrophobicContact CD2-CG 3.84Å; L15-R53 HydrophobicContact CG-CG 4.49Å |
| 54 | T | 92.4 | Very high | 86.1 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 4% | 0.037 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130.2 | -175.9 | -60.8 | 0 | 0 | 0 | 0 | 110.1 | M1 V2 K42 Y43 | M1-T54 CarbonylContact O-C 3.5Å; M1-T54 WeakPolarHBondContact O-CA 3.45Å; V2-T54 HydrophobicContact CG2-CG2 3.96Å; K42-T54 VanDerWaalsContact CA-O 3.31Å; K42-T54 WeakPolarHBondContact CA-O 3.14Å; Y43-T54 HydrophobicContact CD1-CG2 4.47Å; Y43-T54 HydrophobicContact CE1-CG2 3.72Å; Y43-T54 HydrophobicContact CE2-CG2 3.84Å; Y43-T54 PolarHBondContact N-O 3.26Å; Y43-T54 PolarHBondContact O-N 3.39Å; Y43-T54 WeakPolarHBondContact OH-CG2 3.34Å |
| 55 | L | 93.8 | Very high | 85.9 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 113.8 | 165.9 | 177.2 | 67.1 | 0 | 0 | 0 | 108.6 | M1 W17 V33 I40 K42 Y68 | M1-L55 HydrophobicContact CB-CB 4.42Å; M1-L55 HydrophobicContact CE-CB 4.36Å; M1-L55 HydrophobicContact CE-CD2 3.46Å; M1-L55 VanDerWaalsContact CE-CD2 3.46Å; M1-L55 HydrophobicContact CE-CG 3.82Å; M1-L55 PolarHBondContact N-O 2.87Å; M1-L55 PolarHBondContact O-N 2.97Å; M1-L55 HydrophobicContact SD-CD2 4.46Å; W17-L55 HydrophobicContact CB-CD2 4.24Å; W17-L55 HydrophobicContact CD2-CB 3.75Å; W17-L55 HydrophobicContact CD2-CD2 3.68Å; W17-L55 HydrophobicContact CD2-CG 4.26Å; W17-L55 HydrophobicContact CE3-CB 3.9Å; W17-L55 HydrophobicContact CE3-CD2 3.41Å; W17-L55 VanDerWaalsContact CE3-CD2 3.41Å; W17-L55 HydrophobicContact CE3-CG 4.28Å; W17-L55 HydrophobicContact CG-CB 4.41Å; W17-L55 HydrophobicContact CG-CD2 4.07Å; W17-L55 HydrophobicContact CH2-CB 3.79Å; W17-L55 HydrophobicContact CZ2-CB 3.65Å; W17-L55 HydrophobicContact CZ3-CB 3.92Å; W17-L55 HydrophobicContact CZ3-CD2 3.96Å; V33-L55 HydrophobicContact CB-CD2 4.48Å; V33-L55 HydrophobicContact CG1-CD1 3.78Å; V33-L55 HydrophobicContact CG1-CD2 4Å; V33-L55 HydrophobicContact CG2-CD2 4.08Å; I40-L55 HydrophobicContact CG2-CD1 3.46Å; I40-L55 VanDerWaalsContact CG2-CD1 3.46Å; K42-L55 HydrophobicContact CD-CD1 4.41Å; K42-L55 HydrophobicContact CG-CD1 3.7Å; L55-Y68 HydrophobicContact CD2-CD1 3.92Å; L55-Y68 HydrophobicContact CD2-CE1 4.35Å |
| 56 | E | 92.4 | Very high | 85.7 | Confident | 79 Ų | 79 | 56.6 Ų | 56.6 | 37% | 0.369 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 134.9 | 176.2 | 174.4 | -176.4 | -129.6 | 0 | 0 | 109.5 | I40 N41 Y43 T58 | I40-E56 CarbonylContact C-O 3.42Å; I40-E56 WeakPolarHBondContact CA-O 2.87Å; N41-E56 HydrophobicContact CB-CB 4.21Å; N41-E56 PolarHBondContact N-O 2.81Å; N41-E56 PolarHBondContact ND2-OE2 2.83Å; N41-E56 PolarHBondContact O-N 2.76Å; Y43-E56 HydrophobicContact CE1-CB 4.07Å; E56-T58 HydrophobicContact CG-CG2 4.19Å |
| 57 | I | 91.9 | Very high | 85.7 | Confident | 30 Ų | 30 | 52.5 Ų | 52.5 | 15% | 0.154 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 112.1 | 175.9 | -54.3 | 178 | 0 | 0 | 0 | 107.3 | M1 R39 I40 T60 Y68 | M1-I57 HydrophobicContact CE-CD1 3.88Å; M1-I57 HydrophobicContact CE-CG1 4.33Å; R39-I57 CarbonylContact O-C 3.59Å; R39-I57 WeakPolarHBondContact O-CA 3.32Å; I40-I57 HydrophobicContact CG1-CG1 4.39Å; I57-T60 HydrophobicContact CB-CG2 4.43Å; I57-T60 HydrophobicContact CG2-CG2 4.11Å; I57-Y68 HydrophobicContact CD1-CE1 3.66Å; I57-Y68 HydrophobicContact CD1-CE2 4.32Å; I57-Y68 VanDerWaalsContact CD1-CZ 3.46Å; I57-Y68 WeakPolarHBondContact CD1-OH 3.34Å |
| 58 | T | 90.1 | Very high | 86.1 | Confident | 58 Ų | 58 | 47.2 Ų | 47.2 | 36% | 0.356 | 27% | 0.268 | S | S | . | . | trans | -91 | 155.7 | 178 | 62.1 | 0 | 0 | 0 | 0 | 110.8 | R39 E56 T60 | R39-T58 WeakPolarHBondContact CA-OG1 3.4Å; R39-T58 VanDerWaalsContact CB-O 3.32Å; R39-T58 WeakPolarHBondContact CB-O 3.26Å; R39-T58 PolarHBondContact O-N 2.68Å; R39-T58 PolarHBondContact O-OG1 2.88Å; R39-T58 VanDerWaalsContact O-OG1 3.06Å; E56-T58 HydrophobicContact CG-CG2 4.19Å; T58-T60 PolarHBondContact O-N 2.78Å | ||
| 59 | N | 87 | Confident | 86.5 | Confident | 132 Ų | 132 | 44.2 Ų | 44.2 | 71% | 0.706 | 24% | 0.236 | S | C | * | . | S | Bend | trans | 47.5 | 61.6 | -179.1 | -167.1 | 28.4 | 0 | 0 | 0 | 113.1 | R39 | R39-N59 PolarHBondContact NH1-O 3.45Å; R39-N59 VanDerWaalsContact NH1-O 3.14Å |
| 60 | T | 83.3 | Confident | 87 | Confident | 82 Ų | 82 | 37.9 Ų | 37.9 | 50% | 0.503 | 20% | 0.202 | S | C | . | . | trans | -64.7 | 134.4 | -173.1 | 44 | 0 | 0 | 0 | 0 | 112.1 | I57 T58 D64 I87 | I57-T60 HydrophobicContact CB-CG2 4.43Å; I57-T60 HydrophobicContact CG2-CG2 4.11Å; T58-T60 PolarHBondContact O-N 2.78Å; T60-D64 WeakPolarHBondContact CA-OD2 3.46Å; T60-I87 HydrophobicContact CG2-CD1 4.22Å | ||
| 61 | K | 81.5 | Confident | 87.3 | Confident | 110 Ų | 110 | 37.7 Ų | 37.7 | 48% | 0.478 | 20% | 0.197 | S | C | . | . | trans | -103.7 | 155.2 | 174.1 | -64.5 | 176.1 | -177.1 | 175.9 | 0 | 108.8 | T63 D64 I87 | K61-T63 WeakPolarHBondContact CB-OG1 3.18Å; K61-T63 PolarHBondContact O-N 2.79Å; K61-T63 VanDerWaalsContact O-N 3.08Å; K61-D64 PolarHBondContact N-OD2 3.34Å; K61-D64 WeakPolarHBondContact O-CB 3.3Å; K61-D64 PolarHBondContact O-N 3Å; K61-I87 WeakPolarHBondContact O-CD1 3.23Å | ||
| 62 | V | 75.9 | Confident | 87.3 | Confident | 9 Ų | 9 | 37.6 Ų | 37.6 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -52.6 | -36.1 | 174.6 | -157.2 | 0 | 0 | 0 | 0 | 111.7 | D64 G65 I87 Y126 F128 Y170 | V62-D64 VanDerWaalsContact C-N 3.25Å; V62-D64 PolarHBondContact O-N 3Å; V62-G65 PolarHBondContact O-N 2.9Å; V62-I87 WeakPolarHBondContact CG1-O 3.39Å; V62-Y126 HydrophobicContact CG2-CE1 3.92Å; V62-F128 HydrophobicContact CG1-CB 3.29Å; V62-F128 HydrophobicContact CG1-CG 4.07Å; V62-Y170 HydrophobicContact CB-CD1 4.47Å; V62-Y170 HydrophobicContact CB-CD2 3.71Å; V62-Y170 HydrophobicContact CB-CE1 4.42Å; V62-Y170 HydrophobicContact CB-CE2 3.66Å; V62-Y170 HydrophobicContact CB-CG 4.12Å; V62-Y170 HydrophobicContact CG1-CD1 3.47Å; V62-Y170 VanDerWaalsContact CG1-CD1 3.47Å; V62-Y170 HydrophobicContact CG1-CD2 3.59Å; V62-Y170 HydrophobicContact CG1-CE1 3.36Å; V62-Y170 HydrophobicContact CG1-CE2 3.49Å; V62-Y170 VanDerWaalsContact CG1-CE2 3.49Å; V62-Y170 HydrophobicContact CG1-CG 3.57Å; V62-Y170 WeakPolarHBondContact O-CE2 3.33Å; V62-Y170 VanDerWaalsContact O-CZ 3.25Å; V62-Y170 PolarHBondContact O-OH 3.01Å |
| 63 | T | 76.8 | Confident | 87.2 | Confident | 71 Ų | 71 | 38 Ų | 38 | 44% | 0.436 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -63.9 | -19.4 | 175.8 | 53.7 | 0 | 0 | 0 | 0 | 115.3 | K61 G65 Y170 | K61-T63 WeakPolarHBondContact CB-OG1 3.18Å; K61-T63 PolarHBondContact O-N 2.79Å; K61-T63 VanDerWaalsContact O-N 3.08Å; T63-G65 PolarHBondContact O-N 2.77Å; T63-Y170 HydrophobicContact CG2-CD2 4.31Å; T63-Y170 HydrophobicContact CG2-CE2 3.99Å |
| 64 | D | 83 | Confident | 87 | Confident | 14 Ų | 14 | 35.5 Ų | 35.5 | 8% | 0.075 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -77.6 | -7.1 | 172.8 | -47.3 | -45.6 | 0 | 0 | 0 | 111.3 | H19 R39 T60 K61 V62 G66 Y68 I87 | H19-D64 PolarHBondContact NE2-O 2.81Å; R39-D64 IonicContact CZ-OD1 3.19Å; R39-D64 IonicContact CZ-OD2 3.38Å; R39-D64 IonicContact NH1-OD1 2.66Å; R39-D64 PolarHBondContact NH1-OD1 2.99Å; R39-D64 IonicContact NH1-OD2 3.19Å; R39-D64 PolarHBondContact NH1-OD2 2.92Å; R39-D64 IonicContact NH2-OD1 3.06Å; R39-D64 PolarHBondContact NH2-OD1 2.83Å; R39-D64 IonicContact NH2-OD2 2.77Å; T60-D64 WeakPolarHBondContact CA-OD2 3.46Å; K61-D64 PolarHBondContact N-OD2 3.34Å; K61-D64 WeakPolarHBondContact O-CB 3.3Å; K61-D64 PolarHBondContact O-N 3Å; V62-D64 VanDerWaalsContact C-N 3.25Å; V62-D64 PolarHBondContact O-N 3Å; D64-G66 PolarHBondContact O-N 3.02Å; D64-Y68 WeakPolarHBondContact O-CE2 3.37Å; D64-Y68 PolarHBondContact O-OH 2.79Å; D64-I87 HydrophobicContact CB-CD1 3.55Å |
| 65 | G | 81.2 | Confident | 86.4 | Confident | 7 Ų | 7 | 38.8 Ų | 38.8 | 7% | 0.072 | 22% | 0.223 | C | C | . | . | trans | -62.8 | 135 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | H19 Y21 V62 T63 | H19-G65 PolarHBondContact NE2-O 2.91Å; Y21-G65 VanDerWaalsContact CB-O 3.24Å; Y21-G65 WeakPolarHBondContact CB-O 3.39Å; V62-G65 PolarHBondContact O-N 2.9Å; T63-G65 PolarHBondContact O-N 2.77Å | ||
| 66 | G | 82.2 | Confident | 85.6 | Confident | 13 Ų | 13 | 44.6 Ų | 44.6 | 13% | 0.134 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 155.5 | -176.2 | -175 | 0 | 0 | 0 | 0 | 0 | 112.1 | D64 V85 | D64-G66 PolarHBondContact O-N 3.02Å; G66-V85 PolarHBondContact N-O 2.86Å; G66-V85 WeakPolarHBondContact O-CA 3.35Å; G66-V85 WeakPolarHBondContact O-CB 3.48Å; G66-V85 PolarHBondContact O-N 2.8Å; G66-V85 VanDerWaalsContact O-O 3.14Å |
| 67 | S | 84.1 | Confident | 85.2 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 3% | 0.028 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 144.5 | 170.5 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | H19 H20 E82 F83 | H19-S67 CarbonylContact C-O 3.53Å; H19-S67 PolarHBondContact CD2-O 2.79Å; H20-S67 CarbonylContact C-O 3.53Å; H20-S67 WeakPolarHBondContact CA-O 3.28Å; H20-S67 WeakPolarHBondContact CB-O 3.48Å; H20-S67 PolarHBondContact N-O 3.5Å; H20-S67 PolarHBondContact O-N 3.36Å; S67-E82 WeakPolarHBondContact CB-OE1 3.31Å; S67-E82 WeakPolarHBondContact OG-CG 3.22Å; S67-E82 PolarHBondContact OG-OE1 3.46Å; S67-F83 CarbonylContact C-O 3.6Å; S67-F83 VanDerWaalsContact C-O 3.32Å; S67-F83 WeakPolarHBondContact CA-O 3.47Å; S67-F83 PolarHBondContact OG-O 2.78Å |
| 68 | Y | 91.3 | Very high | 84.9 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 2% | 0.024 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 127.4 | 175.9 | -73.8 | -96.8 | 0 | 0 | 0 | 108.9 | M1 F18 H19 V33 L55 I57 D64 E82 F83 V85 | M1-Y68 HydrophobicContact CE-CD1 3.83Å; M1-Y68 HydrophobicContact CE-CD2 3.91Å; M1-Y68 HydrophobicContact CE-CE1 4.11Å; M1-Y68 HydrophobicContact CE-CE2 4.18Å; M1-Y68 HydrophobicContact CE-CG 3.72Å; M1-Y68 WeakPolarHBondContact SD-CB 3.3Å; M1-Y68 HydrophobicContact SD-CD1 4.21Å; M1-Y68 HydrophobicContact SD-CD2 3.7Å; M1-Y68 HydrophobicContact SD-CE2 4.48Å; M1-Y68 HydrophobicContact SD-CG 3.53Å; M1-Y68 VanDerWaalsContact SD-CG 3.53Å; F18-Y68 CarbonylContact O-C 3.58Å; F18-Y68 WeakPolarHBondContact O-CA 3.38Å; H19-Y68 HydrophobicContact CB-CD1 3.78Å; H19-Y68 HydrophobicContact CB-CE1 3.54Å; H19-Y68 AromaticContact CD2-CD1 3.85Å; H19-Y68 AromaticContact CD2-CD2 3.72Å; H19-Y68 AromaticContact CD2-CE1 3.44Å; H19-Y68 VanDerWaalsContact CD2-CE1 3.44Å; H19-Y68 WeakPolarHBondContact CD2-CE1 3.47Å; H19-Y68 AromaticContact CD2-CE2 3.3Å; H19-Y68 WeakPolarHBondContact CD2-CE2 3.42Å; H19-Y68 AromaticContact CD2-CG 3.98Å; H19-Y68 AromaticContact CD2-CZ 3.14Å; H19-Y68 AromaticContact CE1-CZ 3.96Å; H19-Y68 AromaticContact CG-CE1 3.51Å; H19-Y68 AromaticContact CG-CZ 3.58Å; H19-Y68 AromaticContact NE2-CE2 3.52Å; H19-Y68 AromaticContact NE2-CZ 3.41Å; H19-Y68 PolarHBondContact NE2-OH 3.47Å; V33-Y68 HydrophobicContact CG2-CD1 3.86Å; V33-Y68 HydrophobicContact CG2-CE1 4.03Å; L55-Y68 HydrophobicContact CD2-CD1 3.92Å; L55-Y68 HydrophobicContact CD2-CE1 4.35Å; I57-Y68 HydrophobicContact CD1-CE1 3.66Å; I57-Y68 HydrophobicContact CD1-CE2 4.32Å; I57-Y68 VanDerWaalsContact CD1-CZ 3.46Å; I57-Y68 WeakPolarHBondContact CD1-OH 3.34Å; D64-Y68 WeakPolarHBondContact O-CE2 3.37Å; D64-Y68 PolarHBondContact O-OH 2.79Å; Y68-E82 CarbonylContact O-C 3.6Å; Y68-E82 VanDerWaalsContact O-CA 3.3Å; Y68-E82 WeakPolarHBondContact O-CA 2.95Å; Y68-F83 PolarHBondContact N-O 2.83Å; Y68-F83 PolarHBondContact O-N 3.05Å; Y68-V85 HydrophobicContact CD2-CB 4.3Å; Y68-V85 HydrophobicContact CD2-CG2 3.77Å; Y68-V85 HydrophobicContact CE2-CB 4.18Å; Y68-V85 HydrophobicContact CE2-CG2 4.01Å |
| 69 | T | 90.3 | Very high | 84.8 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128.6 | -178.3 | -50.7 | 0 | 0 | 0 | 0 | 110.8 | W17 F18 H20 F71 M80 V81 | W17-T69 CarbonylContact C-O 3.41Å; W17-T69 WeakPolarHBondContact CA-O 3.31Å; F18-T69 PolarHBondContact N-O 2.89Å; F18-T69 PolarHBondContact O-N 3.46Å; H20-T69 VanDerWaalsContact CE1-CB 3.47Å; H20-T69 WeakPolarHBondContact CE1-CB 3.49Å; H20-T69 PolarHBondContact CE1-OG1 2.82Å; H20-T69 PolarHBondContact ND1-OG1 3.11Å; T69-F71 HydrophobicContact CG2-CD2 3.99Å; T69-F71 HydrophobicContact CG2-CE2 3.55Å; T69-F71 HydrophobicContact CG2-CZ 4.25Å; T69-M80 HydrophobicContact CG2-CB 3.79Å; T69-M80 HydrophobicContact CG2-CE 3.51Å; T69-M80 HydrophobicContact CG2-CG 4.32Å; T69-M80 HydrophobicContact CG2-SD 3.9Å; T69-V81 CarbonylContact C-O 3.47Å; T69-V81 WeakPolarHBondContact CA-O 2.89Å |
| 70 | C | 91.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 119.9 | 173.3 | -169.2 | 0 | 0 | 0 | 0 | 109.2 | V3 L15 E16 W17 M80 V81 | V3-C70 HydrophobicContact CG2-CB 3.88Å; L15-C70 VanDerWaalsContact CD2-SG 3.53Å; E16-C70 CarbonylContact O-C 3.59Å; E16-C70 WeakPolarHBondContact O-CA 3.31Å; W17-C70 HydrophobicContact CD2-CB 3.83Å; W17-C70 VanDerWaalsContact CE2-SG 3.53Å; W17-C70 HydrophobicContact CE3-CB 3.75Å; W17-C70 HydrophobicContact CH2-CB 4.04Å; W17-C70 HydrophobicContact CZ2-CB 4.1Å; W17-C70 HydrophobicContact CZ3-CB 3.86Å; C70-M80 CarbonylContact O-C 3.55Å; C70-M80 WeakPolarHBondContact O-CA 3.16Å; C70-V81 PolarHBondContact N-O 2.74Å; C70-V81 PolarHBondContact O-N 3.46Å |
| 71 | F | 91.2 | Very high | 85.2 | Confident | 43 Ų | 43 | 46 Ų | 46 | 19% | 0.189 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 135.7 | 171.2 | -75.9 | -100.9 | 0 | 0 | 0 | 109.5 | L15 E16 F18 T69 T79 M80 | L15-F71 VanDerWaalsContact CA-O 3.27Å; L15-F71 WeakPolarHBondContact CA-O 3.1Å; E16-F71 PolarHBondContact N-O 2.84Å; E16-F71 PolarHBondContact O-N 3.24Å; F18-F71 AromaticContact CD2-CD2 3.37Å; F18-F71 HydrophobicContact CD2-CD2 3.37Å; F18-F71 AromaticContact CD2-CE2 3.78Å; F18-F71 HydrophobicContact CD2-CE2 3.78Å; F18-F71 HydrophobicContact CD2-CG 4.44Å; F18-F71 HydrophobicContact CE2-CB 4.28Å; F18-F71 AromaticContact CE2-CD2 3.32Å; F18-F71 HydrophobicContact CE2-CD2 3.32Å; F18-F71 AromaticContact CE2-CE2 3.93Å; F18-F71 HydrophobicContact CE2-CE2 3.93Å; F18-F71 HydrophobicContact CE2-CG 4.03Å; F18-F71 HydrophobicContact CZ-CD2 4.45Å; T69-F71 HydrophobicContact CG2-CD2 3.99Å; T69-F71 HydrophobicContact CG2-CE2 3.55Å; T69-F71 HydrophobicContact CG2-CZ 4.25Å; F71-T79 CarbonylContact C-O 3.54Å; F71-T79 WeakPolarHBondContact CA-O 3.44Å; F71-M80 HydrophobicContact CD1-CB 4.01Å; F71-M80 HydrophobicContact CD2-CB 4.35Å; F71-M80 HydrophobicContact CE1-CB 3.96Å; F71-M80 HydrophobicContact CE1-CG 4.32Å; F71-M80 HydrophobicContact CE1-SD 3.95Å; F71-M80 HydrophobicContact CE2-CB 4.31Å; F71-M80 HydrophobicContact CE2-SD 4.28Å; F71-M80 HydrophobicContact CG-CB 4.21Å; F71-M80 HydrophobicContact CZ-CB 4.11Å; F71-M80 HydrophobicContact CZ-CG 4.4Å; F71-M80 HydrophobicContact CZ-SD 3.59Å; F71-M80 VanDerWaalsContact CZ-SD 3.59Å |
| 72 | I | 90.8 | Very high | 85.6 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 115 | 174.1 | -54.5 | 156.3 | 0 | 0 | 0 | 106.5 | V3 Y5 V13 L15 S78 T79 | V3-I72 HydrophobicContact CG1-CD1 3.85Å; Y5-I72 HydrophobicContact CD1-CD1 4.14Å; Y5-I72 HydrophobicContact CD2-CG2 4.16Å; Y5-I72 HydrophobicContact CE2-CG2 4.42Å; Y5-I72 HydrophobicContact CG-CD1 4.05Å; Y5-I72 HydrophobicContact CG-CG2 4.36Å; V13-I72 HydrophobicContact CG1-CG2 3.92Å; L15-I72 HydrophobicContact CD2-CG1 3.66Å; L15-I72 HydrophobicContact CG-CB 4.5Å; L15-I72 HydrophobicContact CG-CG1 3.97Å; L15-I72 HydrophobicContact CG-CG2 4.45Å; I72-S78 CarbonylContact O-C 3.57Å; I72-S78 VanDerWaalsContact O-CA 3.3Å; I72-S78 WeakPolarHBondContact O-CA 3.33Å; I72-T79 HydrophobicContact CB-CG2 3.96Å; I72-T79 HydrophobicContact CD1-CG2 4.19Å; I72-T79 PolarHBondContact N-O 2.78Å; I72-T79 PolarHBondContact O-N 2.88Å |
| 73 | T | 89.2 | Confident | 86.4 | Confident | 37 Ų | 37 | 48.3 Ų | 48.3 | 23% | 0.227 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131.6 | -178.6 | -56.4 | 0 | 0 | 0 | 0 | 109.9 | V13 I14 V77 S78 | V13-T73 CarbonylContact C-O 3.56Å; V13-T73 WeakPolarHBondContact CA-O 3.26Å; I14-T73 PolarHBondContact N-O 3.24Å; I14-T73 PolarHBondContact O-N 2.77Å; T73-V77 CarbonylContact C-O 3.47Å; T73-V77 WeakPolarHBondContact CA-O 3.34Å; T73-S78 WeakPolarHBondContact OG1-CB 3.49Å; T73-S78 PolarHBondContact OG1-OG 2Å |
| 74 | V | 87.2 | Confident | 86.8 | Confident | 29 Ų | 29 | 53.5 Ų | 53.5 | 18% | 0.176 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 121.2 | 176.8 | -168.5 | 0 | 0 | 0 | 0 | 107.9 | A7 D12 V13 S76 V77 | A7-V74 HydrophobicContact CB-CG2 3.78Å; D12-V74 HydrophobicContact CB-CG1 4.43Å; V13-V74 HydrophobicContact CB-CG2 4.48Å; V13-V74 HydrophobicContact CG1-CG2 4.3Å; V13-V74 HydrophobicContact CG2-CG1 4.45Å; V13-V74 HydrophobicContact CG2-CG2 3.97Å; V74-S76 PolarHBondContact O-N 2.8Å; V74-V77 PolarHBondContact N-O 2.79Å; V74-V77 PolarHBondContact O-N 2.86Å |
| 75 | A | 79.3 | Confident | 86.9 | Confident | 76 Ų | 76 | 55 Ų | 55 | 63% | 0.628 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | -100.7 | -171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 76 | S | 78.2 | Confident | 86.7 | Confident | 123 Ų | 123 | 58.5 Ų | 58.5 | 86% | 0.86 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116 | 7.2 | 179.6 | -48.3 | 0 | 0 | 0 | 0 | 114.2 | V74 | V74-S76 PolarHBondContact O-N 2.8Š|
| 77 | V | 82.8 | Confident | 86.6 | Confident | 112 Ų | 112 | 58.9 Ų | 58.9 | 68% | 0.679 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111 | 131.6 | -178.5 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | T73 V74 | T73-V77 CarbonylContact C-O 3.47Å; T73-V77 WeakPolarHBondContact CA-O 3.34Å; V74-V77 PolarHBondContact N-O 2.79Å; V74-V77 PolarHBondContact O-N 2.86Å |
| 78 | S | 85 | Confident | 86.4 | Confident | 63 Ų | 63 | 66 Ų | 66 | 44% | 0.441 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 142 | 177.4 | -166.1 | 0 | 0 | 0 | 0 | 111 | I72 T73 | I72-S78 CarbonylContact O-C 3.57Å; I72-S78 VanDerWaalsContact O-CA 3.3Å; I72-S78 WeakPolarHBondContact O-CA 3.33Å; T73-S78 WeakPolarHBondContact OG1-CB 3.49Å; T73-S78 PolarHBondContact OG1-OG 2Å |
| 79 | T | 88.9 | Confident | 85.9 | Confident | 87 Ų | 87 | 67.3 Ų | 67.3 | 53% | 0.534 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 163.3 | 172 | -172.2 | 0 | 0 | 0 | 0 | 110 | F71 I72 | F71-T79 CarbonylContact C-O 3.54Å; F71-T79 WeakPolarHBondContact CA-O 3.44Å; I72-T79 HydrophobicContact CB-CG2 3.96Å; I72-T79 HydrophobicContact CD1-CG2 4.19Å; I72-T79 PolarHBondContact N-O 2.78Å; I72-T79 PolarHBondContact O-N 2.88Å |
| 80 | M | 88.8 | Confident | 85.4 | Confident | 91 Ų | 91 | 70.6 Ų | 70.6 | 45% | 0.448 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 151.4 | -178.6 | 62.2 | 170.8 | -99 | 0 | 0 | 114.7 | T69 C70 F71 | T69-M80 HydrophobicContact CG2-CB 3.79Å; T69-M80 HydrophobicContact CG2-CE 3.51Å; T69-M80 HydrophobicContact CG2-CG 4.32Å; T69-M80 HydrophobicContact CG2-SD 3.9Å; C70-M80 CarbonylContact O-C 3.55Å; C70-M80 WeakPolarHBondContact O-CA 3.16Å; F71-M80 HydrophobicContact CD1-CB 4.01Å; F71-M80 HydrophobicContact CD2-CB 4.35Å; F71-M80 HydrophobicContact CE1-CB 3.96Å; F71-M80 HydrophobicContact CE1-CG 4.32Å; F71-M80 HydrophobicContact CE1-SD 3.95Å; F71-M80 HydrophobicContact CE2-CB 4.31Å; F71-M80 HydrophobicContact CE2-SD 4.28Å; F71-M80 HydrophobicContact CG-CB 4.21Å; F71-M80 HydrophobicContact CZ-CB 4.11Å; F71-M80 HydrophobicContact CZ-CG 4.4Å; F71-M80 HydrophobicContact CZ-SD 3.59Å; F71-M80 VanDerWaalsContact CZ-SD 3.59Å |
| 81 | V | 90.8 | Very high | 84.9 | Confident | 58 Ų | 58 | 70.9 Ų | 70.9 | 35% | 0.352 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 135.9 | 173.6 | 179.9 | 0 | 0 | 0 | 0 | 109.7 | V3 T69 C70 F83 | V3-V81 HydrophobicContact CG1-CG2 4.17Å; V3-V81 HydrophobicContact CG2-CB 4.27Å; V3-V81 HydrophobicContact CG2-CG1 4.34Å; T69-V81 CarbonylContact C-O 3.47Å; T69-V81 WeakPolarHBondContact CA-O 2.89Å; C70-V81 PolarHBondContact N-O 2.74Å; C70-V81 PolarHBondContact O-N 3.46Å; V81-F83 HydrophobicContact CG1-CE2 3.91Å; V81-F83 HydrophobicContact CG1-CZ 4.11Å |
| 82 | E | 89.9 | Confident | 84.4 | Confident | 117 Ų | 117 | 72.9 Ų | 72.9 | 55% | 0.547 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 139.5 | -176 | -169.2 | -176.8 | 179.5 | 0 | 0 | 112.8 | S67 Y68 | S67-E82 WeakPolarHBondContact CB-OE1 3.31Å; S67-E82 WeakPolarHBondContact OG-CG 3.22Å; S67-E82 PolarHBondContact OG-OE1 3.46Å; Y68-E82 CarbonylContact O-C 3.6Å; Y68-E82 VanDerWaalsContact O-CA 3.3Å; Y68-E82 WeakPolarHBondContact O-CA 2.95Å |
| 83 | F | 91 | Very high | 84 | Confident | 50 Ų | 50 | 72.5 Ų | 72.5 | 22% | 0.219 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 127.5 | 178 | -62.1 | -93.2 | 0 | 0 | 0 | 110.6 | M1 V2 V3 W17 S67 Y68 V81 | M1-F83 HydrophobicContact CB-CD1 4.09Å; M1-F83 HydrophobicContact CB-CD2 4.09Å; M1-F83 HydrophobicContact CB-CE1 4.08Å; M1-F83 HydrophobicContact CB-CE2 4.09Å; M1-F83 HydrophobicContact CB-CG 4.1Å; M1-F83 HydrophobicContact CB-CZ 4.09Å; M1-F83 HydrophobicContact CG-CB 4.14Å; M1-F83 HydrophobicContact CG-CD1 3.94Å; M1-F83 HydrophobicContact CG-CD2 4.23Å; M1-F83 HydrophobicContact CG-CE1 4.42Å; M1-F83 HydrophobicContact CG-CG 3.84Å; M1-F83 HydrophobicContact SD-CB 3.85Å; M1-F83 HydrophobicContact SD-CD2 4.19Å; M1-F83 HydrophobicContact SD-CG 4.01Å; V2-F83 WeakPolarHBondContact O-CZ 3.27Å; V3-F83 HydrophobicContact CG2-CE2 3.74Å; V3-F83 HydrophobicContact CG2-CZ 3.88Å; W17-F83 HydrophobicContact CH2-CD2 4.4Å; W17-F83 AromaticContact CH2-CE2 3.76Å; W17-F83 HydrophobicContact CH2-CE2 3.76Å; W17-F83 HydrophobicContact CH2-CZ 4.4Å; W17-F83 AromaticContact CZ3-CD2 3.91Å; W17-F83 HydrophobicContact CZ3-CD2 3.91Å; W17-F83 AromaticContact CZ3-CE2 3.71Å; W17-F83 HydrophobicContact CZ3-CE2 3.71Å; S67-F83 CarbonylContact C-O 3.6Å; S67-F83 VanDerWaalsContact C-O 3.32Å; S67-F83 WeakPolarHBondContact CA-O 3.47Å; S67-F83 PolarHBondContact OG-O 2.78Å; Y68-F83 PolarHBondContact N-O 2.83Å; Y68-F83 PolarHBondContact O-N 3.05Å; V81-F83 HydrophobicContact CG1-CE2 3.91Å; V81-F83 HydrophobicContact CG1-CZ 4.11Å |
| 84 | K | 85.6 | Confident | 83.5 | Confident | 179 Ų | 179 | 74.5 Ų | 74.5 | 78% | 0.778 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 121 | 174.3 | -137.7 | 172.3 | -173.1 | 172.6 | 0 | 110.8 | ||
| 85 | V | 85.7 | Confident | 83 | Confident | 45 Ų | 45 | 75.1 Ų | 75.1 | 27% | 0.273 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 130.6 | -176.1 | -177 | 0 | 0 | 0 | 0 | 109.6 | M1 G66 Y68 I87 | M1-V85 HydrophobicContact SD-CG2 4.2Å; G66-V85 PolarHBondContact N-O 2.86Å; G66-V85 WeakPolarHBondContact O-CA 3.35Å; G66-V85 WeakPolarHBondContact O-CB 3.48Å; G66-V85 PolarHBondContact O-N 2.8Å; G66-V85 VanDerWaalsContact O-O 3.14Å; Y68-V85 HydrophobicContact CD2-CB 4.3Å; Y68-V85 HydrophobicContact CD2-CG2 3.77Å; Y68-V85 HydrophobicContact CE2-CB 4.18Å; Y68-V85 HydrophobicContact CE2-CG2 4.01Å; V85-I87 HydrophobicContact CG1-CD1 4.37Å; V85-I87 HydrophobicContact CG1-CG1 4.17Å |
| 86 | S | 76.5 | Confident | 83.1 | Confident | 82 Ų | 82 | 72.3 Ų | 72.3 | 57% | 0.573 | 41% | 0.411 | S | S | * | . | trans | -124.2 | 129.2 | 174.6 | -59.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 87 | I | 81.3 | Confident | 83.1 | Confident | 20 Ų | 20 | 66.8 Ų | 66.8 | 10% | 0.103 | 37% | 0.373 | C | S | . | . | trans | -118.9 | 122.6 | -176.1 | -62.7 | 167.6 | 0 | 0 | 0 | 108.5 | T60 K61 V62 D64 V85 F128 | T60-I87 HydrophobicContact CG2-CD1 4.22Å; K61-I87 WeakPolarHBondContact O-CD1 3.23Å; V62-I87 WeakPolarHBondContact CG1-O 3.39Å; D64-I87 HydrophobicContact CB-CD1 3.55Å; V85-I87 HydrophobicContact CG1-CD1 4.37Å; V85-I87 HydrophobicContact CG1-CG1 4.17Å; I87-F128 WeakPolarHBondContact O-CD1 3.42Å | ||
| 88 | F | 79.5 | Confident | 82.7 | Confident | 153 Ų | 153 | 61.9 Ų | 61.9 | 67% | 0.671 | 34% | 0.343 | S | S | * | . | trans | -94.2 | 147.3 | -178 | -61.8 | -89.4 | 0 | 0 | 0 | 110.9 | F128 | F88-F128 WeakPolarHBondContact CA-O 3.27Å; F88-F128 HydrophobicContact CD1-CD1 4.21Å; F88-F128 HydrophobicContact CD1-CE1 4.5Å; F88-F128 HydrophobicContact CE1-CE1 4.4Å | ||
| 89 | S | 79.4 | Confident | 81.9 | Confident | 34 Ų | 34 | 59 Ų | 59 | 24% | 0.238 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 136.7 | 176.9 | 162.2 | 0 | 0 | 0 | 0 | 110.7 | F128 | S89-F128 PolarHBondContact N-O 3.4Å; S89-F128 PolarHBondContact O-N 2.8Å; S89-F128 VanDerWaalsContact O-O 3.06Å |
| 90 | S | 80.1 | Confident | 80.7 | Confident | 72 Ų | 72 | 59.4 Ų | 59.4 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 150.2 | 172 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | ||
| 91 | P | 82 | Confident | 79 | Confident | 7 Ų | 7 | 60.2 Ų | 60.2 | 5% | 0.045 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 137.8 | 177.7 | 28.2 | -36.5 | 0 | 0 | 0 | 111.6 | Y126 P131 A190 T203 | P91-Y126 CarbonylContact C-O 3.53Å; P91-Y126 WeakPolarHBondContact CA-O 3.42Å; P91-P131 HydrophobicContact CB-CB 3.82Å; P91-A190 HydrophobicContact CB-CB 3.9Å; P91-A190 WeakPolarHBondContact CG-O 3.18Å; P91-T203 WeakPolarHBondContact CD-O 3.35Å; P91-T203 WeakPolarHBondContact CG-O 3.35Å |
| 92 | I | 81.2 | Confident | 76.9 | Confident | 84 Ų | 84 | 61.4 Ų | 61.4 | 43% | 0.431 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 120.3 | 178.6 | -57.9 | 174.1 | 0 | 0 | 0 | 110.4 | V94 A125 Y126 E205 | I92-V94 PolarHBondContact O-N 2.93Å; I92-V94 VanDerWaalsContact O-N 3.12Å; I92-A125 CarbonylContact O-C 3.56Å; I92-A125 WeakPolarHBondContact O-CA 3.35Å; I92-Y126 PolarHBondContact N-O 3.03Å; I92-Y126 PolarHBondContact O-N 3.23Å; I92-E205 WeakPolarHBondContact CA-OE2 3.49Å |
| 93 | I | 82.1 | Confident | 74.8 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.015 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 98.7 | 178.8 | -61.5 | 178.9 | 0 | 0 | 0 | 110.1 | S95 A96 R124 A125 C188 A190 E205 Y206 K207 | I93-S95 WeakPolarHBondContact CG2-O 3.1Å; I93-S95 PolarHBondContact O-N 2.65Å; I93-A96 HydrophobicContact CG2-CB 4.11Å; I93-R124 CarbonylContact C-O 3.54Å; I93-R124 WeakPolarHBondContact CA-O 3.42Å; I93-R124 WeakPolarHBondContact CG2-O 3.3Å; I93-A125 HydrophobicContact CG1-CB 4.27Å; I93-C188 HydrophobicContact CD1-CB 4.4Å; I93-C188 WeakPolarHBondContact CD1-O 3.23Å; I93-A190 HydrophobicContact CD1-CB 4.24Å; I93-A190 HydrophobicContact CG1-CB 3.83Å; I93-E205 WeakPolarHBondContact CA-OE1 3.38Å; I93-E205 HydrophobicContact CB-CG 4.25Å; I93-E205 WeakPolarHBondContact CB-OE1 3.29Å; I93-E205 HydrophobicContact CD1-CB 4.42Å; I93-E205 HydrophobicContact CD1-CG 4.14Å; I93-E205 WeakPolarHBondContact CD1-O 3.31Å; I93-E205 HydrophobicContact CG1-CB 4.19Å; I93-E205 HydrophobicContact CG1-CG 3.93Å; I93-E205 PolarHBondContact N-OE1 3.31Å; I93-Y206 VanDerWaalsContact CD1-CA 3.45Å; I93-K207 HydrophobicContact CB-CD 4.29Å; I93-K207 HydrophobicContact CB-CG 4.32Å; I93-K207 HydrophobicContact CD1-CB 4.36Å; I93-K207 HydrophobicContact CD1-CG 4.4Å; I93-K207 HydrophobicContact CG2-CB 4.32Å; I93-K207 HydrophobicContact CG2-CD 3.67Å; I93-K207 HydrophobicContact CG2-CG 3.99Å; I93-K207 PolarHBondContact O-NZ 3.43Å |
| 94 | V | 77.5 | Confident | 72.4 | Confident | 79 Ų | 79 | 57.5 Ų | 57.5 | 48% | 0.479 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | -46.9 | 175.8 | -173.6 | 0 | 0 | 0 | 0 | 111.1 | I92 R124 | I92-V94 PolarHBondContact O-N 2.93Å; I92-V94 VanDerWaalsContact O-N 3.12Å; V94-R124 HydrophobicContact CB-CB 4.16Å; V94-R124 PolarHBondContact N-O 3.35Å |
| 95 | S | 77.6 | Confident | 70.1 | Confident | 42 Ų | 42 | 54.2 Ų | 54.2 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 150.4 | 177.3 | 66.8 | 0 | 0 | 0 | 0 | 112.4 | I93 C123 R124 | I93-S95 WeakPolarHBondContact CG2-O 3.1Å; I93-S95 PolarHBondContact O-N 2.65Å; S95-C123 CarbonylContact O-C 3.56Å; S95-C123 WeakPolarHBondContact O-CA 3.23Å; S95-R124 PolarHBondContact N-O 2.91Å; S95-R124 PolarHBondContact O-N 3.36Å; S95-R124 WeakPolarHBondContact OG-CB 3.44Å; S95-R124 WeakPolarHBondContact OG-CD 3.48Å |
| 96 | A | 80.4 | Confident | 67.9 | Low | 18 Ų | 18 | 55.8 Ų | 55.8 | 15% | 0.149 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 127.6 | 173 | 0 | 0 | 0 | 0 | 0 | 108.2 | I93 V122 C188 K207 I209 | I93-A96 HydrophobicContact CG2-CB 4.11Å; A96-V122 CarbonylContact C-O 3.56Å; A96-V122 VanDerWaalsContact CA-O 3.27Å; A96-V122 WeakPolarHBondContact CA-O 3.29Å; A96-C188 HydrophobicContact CB-CB 4.32Å; A96-K207 HydrophobicContact CB-CB 3.56Å; A96-K207 HydrophobicContact CB-CD 3.86Å; A96-K207 HydrophobicContact CB-CG 4.3Å; A96-I209 HydrophobicContact CB-CD1 4.02Å; A96-I209 HydrophobicContact CB-CG1 4.04Å |
| 97 | G | 79.5 | Confident | 66 | Low | 7 Ų | 7 | 55.7 Ų | 55.7 | 7% | 0.072 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.5 | -176.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | I121 V122 | G97-I121 WeakPolarHBondContact O-CA 3.44Å; G97-V122 PolarHBondContact N-O 3.21Å; G97-V122 PolarHBondContact O-N 3.26Å |
| 98 | I | 74.9 | Confident | 64.1 | Low | 8 Ų | 8 | 57.6 Ų | 57.6 | 4% | 0.041 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 140.5 | 172 | -54.7 | -172.6 | 0 | 0 | 0 | 108.2 | I108 L113 Y119 S120 I209 F211 | I98-I108 HydrophobicContact CB-CD1 4.48Å; I98-I108 HydrophobicContact CG2-CD1 4.42Å; I98-I108 WeakPolarHBondContact O-CD1 3.26Å; I98-I108 WeakPolarHBondContact O-CG1 3.21Å; I98-L113 HydrophobicContact CD1-CD1 3.81Å; I98-L113 HydrophobicContact CD1-CD2 4.11Å; I98-L113 HydrophobicContact CD1-CG 4.35Å; I98-L113 HydrophobicContact CG2-CD2 3.97Å; I98-Y119 HydrophobicContact CG2-CD1 4.09Å; I98-Y119 HydrophobicContact CG2-CG 4.12Å; I98-S120 CarbonylContact C-O 3.47Å; I98-S120 WeakPolarHBondContact CA-O 3.5Å; I98-I209 HydrophobicContact CD1-CG2 4.12Å; I98-I209 HydrophobicContact CG1-CG2 3.57Å; I98-F211 HydrophobicContact CD1-CB 3.45Å; I98-F211 VanDerWaalsContact CD1-CB 3.45Å; I98-F211 HydrophobicContact CD1-CD1 3.9Å; I98-F211 HydrophobicContact CD1-CG 3.71Å |
| 99 | A | 66.2 | Low | 62.4 | Low | 4 Ų | 4 | 57.3 Ų | 57.3 | 3% | 0.033 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 155.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110 | Y119 S120 V122 | A99-Y119 CarbonylContact O-C 2.97Å; A99-Y119 WeakPolarHBondContact O-CA 3.37Å; A99-S120 PolarHBondContact N-O 3.24Å; A99-S120 PolarHBondContact O-N 3.16Å; A99-V122 HydrophobicContact CB-CG2 4.21Å |
| 100 | E | 64 | Low | 60.9 | Low | 95 Ų | 95 | 56.4 Ų | 56.4 | 44% | 0.444 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 162.5 | 167.6 | -68 | -170 | 155.9 | 0 | 0 | 111.5 | S102 G103 R175 | E100-S102 PolarHBondContact O-N 3.26Å; E100-S102 VanDerWaalsContact O-N 3.12Å; E100-G103 PolarHBondContact O-N 2.89Å; E100-G103 VanDerWaalsContact O-N 3.13Å; E100-R175 PolarHBondContact O-NH2 3.14Å |
| 101 | L | 54 | Low | 60.1 | Low | 108 Ų | 108 | 58.9 Ų | 58.9 | 57% | 0.565 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -29.3 | 179 | -134.9 | 94 | 0 | 0 | 0 | 113 | ||
| 102 | S | 47.7 | Very low | 59.7 | Low | 82 Ų | 82 | 59 Ų | 59 | 57% | 0.573 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -9.3 | -178 | 49.2 | 0 | 0 | 0 | 0 | 114.5 | E100 | E100-S102 PolarHBondContact O-N 3.26Å; E100-S102 VanDerWaalsContact O-N 3.12Å |
| 103 | G | 44 | Very low | 59.6 | Low | 11 Ų | 11 | 55.2 Ų | 55.2 | 11% | 0.113 | 32% | 0.322 | C | S | . | . | trans | -108.7 | 150.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | E100 R175 | E100-G103 PolarHBondContact O-N 2.89Å; E100-G103 VanDerWaalsContact O-N 3.13Å; G103-R175 PolarHBondContact O-NH2 3.03Å | ||
| 104 | F | 41.3 | Very low | 59.5 | Low | 74 Ų | 74 | 57.2 Ų | 57.2 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | trans | -116.1 | 12.7 | 162.8 | -79.1 | -93.3 | 0 | 0 | 0 | 111.3 | L840 L843 | F104-L840 HydrophobicContact CZ-CD2 4.31Å; F104-L843 HydrophobicContact CB-CD2 4.46Å; F104-L843 HydrophobicContact CD1-CD1 4.19Å; F104-L843 HydrophobicContact CD2-CD1 3.53Å; F104-L843 HydrophobicContact CD2-CD2 3.35Å; F104-L843 HydrophobicContact CD2-CG 4.06Å; F104-L843 HydrophobicContact CE1-CD1 3.8Å; F104-L843 HydrophobicContact CE2-CD1 3.08Å; F104-L843 HydrophobicContact CE2-CD2 3.71Å; F104-L843 HydrophobicContact CE2-CG 4.02Å; F104-L843 HydrophobicContact CG-CD1 4.05Å; F104-L843 HydrophobicContact CG-CD2 4.04Å; F104-L843 HydrophobicContact CZ-CD1 3.21Å; F104-L843 HydrophobicContact CZ-CG 4.49Å | ||
| 105 | T | 37.6 | Very low | 59.6 | Low | 111 Ų | 111 | 55.7 Ų | 55.7 | 68% | 0.681 | 32% | 0.319 | S | S | * | . | trans | -92.1 | 119.5 | -171.9 | 44.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 106 | A | 39.3 | Very low | 59.3 | Low | 77 Ų | 77 | 62.4 Ų | 62.4 | 64% | 0.636 | 34% | 0.338 | S | S | * | . | trans | 57.1 | 150.1 | 150.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | I108 | A106-I108 VanDerWaalsContact C-N 3.26Å; A106-I108 PolarHBondContact O-N 3.28Å | ||
| 107 | S | 37.1 | Very low | 58.9 | Low | 81 Ų | 81 | 65.3 Ų | 65.3 | 57% | 0.566 | 35% | 0.351 | S | S | * | . | trans | -48.1 | 102.1 | 150.2 | 171.6 | 0 | 0 | 0 | 0 | 106.6 | D109 | S107-D109 PolarHBondContact O-N 3.34Å; S107-D109 VanDerWaalsContact O-N 3.14Å | ||
| 108 | I | 40.8 | Very low | 58.5 | Low | 60 Ų | 60 | 72 Ų | 72 | 31% | 0.308 | 38% | 0.375 | S | S | . | . | trans | -49.4 | 130.3 | 156.6 | -51.1 | 163.1 | 0 | 0 | 0 | 102.6 | I98 A106 G110 | I98-I108 HydrophobicContact CB-CD1 4.48Å; I98-I108 HydrophobicContact CG2-CD1 4.42Å; I98-I108 WeakPolarHBondContact O-CD1 3.26Å; I98-I108 WeakPolarHBondContact O-CG1 3.21Å; A106-I108 VanDerWaalsContact C-N 3.26Å; A106-I108 PolarHBondContact O-N 3.28Å; I108-G110 VanDerWaalsContact C-CA 3.49Å; I108-G110 WeakPolarHBondContact O-CA 3.49Å; I108-G110 PolarHBondContact O-N 3.36Å | ||
| 109 | D | 43.1 | Very low | 58.4 | Low | 146 Ų | 146 | 71.9 Ų | 71.9 | 78% | 0.781 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -69.1 | 46.8 | 169.4 | -161.6 | 15.9 | 0 | 0 | 0 | 109.1 | S107 | S107-D109 PolarHBondContact O-N 3.34Å; S107-D109 VanDerWaalsContact O-N 3.14Å |
| 110 | G | 49.4 | Very low | 58.7 | Low | 15 Ų | 15 | 71.9 Ų | 71.9 | 16% | 0.155 | 37% | 0.374 | C | S | . | . | -126.1 | 47.6 | -126.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | I108 F112 | I108-G110 VanDerWaalsContact C-CA 3.49Å; I108-G110 WeakPolarHBondContact O-CA 3.49Å; I108-G110 PolarHBondContact O-N 3.36Å; G110-F112 PolarHBondContact O-N 2.89Å | |||
| 111 | R | 63.3 | Low | 59.4 | Low | 124 Ų | 124 | 67.3 Ų | 67.3 | 47% | 0.468 | 35% | 0.353 | S | S | . | . | trans | -59.7 | -6.2 | 179.5 | -62 | -170.2 | -162.4 | -172.7 | 4.5 | 112.4 | F211 V212 | R111-F211 CarbonylContact O-C 3.44Å; R111-V212 HydrophobicContact CB-CG2 4.36Å; R111-V212 WeakPolarHBondContact O-CA 3.4Å; R111-V212 WeakPolarHBondContact O-CB 3.21Å; R111-V212 WeakPolarHBondContact O-CG2 3.49Å; R111-V212 PolarHBondContact O-N 2.92Å | ||
| 112 | F | 73.4 | Confident | 60.4 | Low | 11 Ų | 11 | 63 Ų | 63 | 5% | 0.048 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 106.7 | -175.4 | -58.8 | -83.3 | 0 | 0 | 0 | 112.2 | G110 V212 T214 A219 E220 K223 Q257 Y260 | G110-F112 PolarHBondContact O-N 2.89Å; F112-V212 CarbonylContact C-O 3.52Å; F112-V212 VanDerWaalsContact CA-O 3.28Å; F112-V212 WeakPolarHBondContact CA-O 3.42Å; F112-V212 HydrophobicContact CD1-CB 4.03Å; F112-V212 HydrophobicContact CD1-CG1 4.22Å; F112-V212 HydrophobicContact CE1-CB 4.23Å; F112-V212 HydrophobicContact CE1-CG1 4.24Å; F112-T214 HydrophobicContact CB-CG2 4.16Å; F112-T214 HydrophobicContact CD1-CG2 4.43Å; F112-A219 HydrophobicContact CB-CB 3.99Å; F112-E220 WeakPolarHBondContact O-CG 3.3Å; F112-K223 HydrophobicContact CD2-CB 4.17Å; F112-K223 VanDerWaalsContact CE2-C 3.48Å; F112-K223 VanDerWaalsContact CE2-CA 3.46Å; F112-K223 HydrophobicContact CE2-CB 3.65Å; F112-K223 HydrophobicContact CE2-CG 4.28Å; F112-K223 WeakPolarHBondContact CE2-O 3.25Å; F112-K223 HydrophobicContact CZ-CB 4.28Å; F112-K223 WeakPolarHBondContact CZ-O 3.42Å; F112-Q257 HydrophobicContact CE1-CB 4.02Å; F112-Q257 HydrophobicContact CE1-CG 4.06Å; F112-Y260 HydrophobicContact CE1-CG 4.41Å; F112-Y260 HydrophobicContact CZ-CD1 4.08Å; F112-Y260 HydrophobicContact CZ-CD2 4.11Å; F112-Y260 HydrophobicContact CZ-CE1 4.26Å; F112-Y260 HydrophobicContact CZ-CE2 4.3Å; F112-Y260 HydrophobicContact CZ-CG 4Å |
| 113 | L | 77.6 | Confident | 62 | Low | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 135.1 | 175.9 | -53.2 | -176.4 | 0 | 0 | 0 | 110.3 | I98 H115 Y119 A180 F211 V212 V213 T214 | I98-L113 HydrophobicContact CD1-CD1 3.81Å; I98-L113 HydrophobicContact CD1-CD2 4.11Å; I98-L113 HydrophobicContact CD1-CG 4.35Å; I98-L113 HydrophobicContact CG2-CD2 3.97Å; L113-H115 PolarHBondContact O-N 3.37Å; L113-Y119 HydrophobicContact CB-CD2 4.2Å; L113-Y119 HydrophobicContact CB-CE2 3.68Å; L113-Y119 HydrophobicContact CD1-CD2 4.08Å; L113-Y119 HydrophobicContact CD1-CE2 4.41Å; L113-Y119 HydrophobicContact CD1-CG 4.43Å; L113-Y119 HydrophobicContact CD2-CD1 3.95Å; L113-Y119 HydrophobicContact CD2-CD2 4.18Å; L113-Y119 HydrophobicContact CD2-CE1 3.86Å; L113-Y119 HydrophobicContact CD2-CE2 4.1Å; L113-Y119 HydrophobicContact CD2-CG 4.1Å; L113-Y119 HydrophobicContact CG-CD2 4.38Å; L113-Y119 HydrophobicContact CG-CE2 4.27Å; L113-A180 HydrophobicContact CB-CB 3.66Å; L113-A180 HydrophobicContact CD1-CB 4.1Å; L113-F211 HydrophobicContact CD1-CB 3.93Å; L113-F211 HydrophobicContact CD1-CD2 3.43Å; L113-F211 VanDerWaalsContact CD1-CD2 3.43Å; L113-F211 HydrophobicContact CD1-CE2 4.21Å; L113-F211 HydrophobicContact CD1-CG 3.87Å; L113-F211 HydrophobicContact CG-CB 4.07Å; L113-F211 HydrophobicContact CG-CD2 4.21Å; L113-V212 PolarHBondContact N-O 3.02Å; L113-V213 HydrophobicContact CB-CG2 4.46Å; L113-V213 WeakPolarHBondContact O-CA 3.37Å; L113-T214 PolarHBondContact O-N 2.95Å |
| 114 | Q | 81.1 | Confident | 63.9 | Low | 46 Ų | 46 | 60.8 Ų | 60.8 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 129.9 | 176.4 | -175.5 | 67 | 57.2 | 0 | 0 | 110.5 | R116 N117 Y119 A180 T214 V216 | Q114-R116 PolarHBondContact O-N 2.85Å; Q114-N117 HydrophobicContact CB-CB 4.17Å; Q114-N117 WeakPolarHBondContact CB-ND2 3.23Å; Q114-N117 WeakPolarHBondContact O-CB 3.46Å; Q114-N117 PolarHBondContact O-N 2.85Å; Q114-N117 VanDerWaalsContact O-N 3.1Å; Q114-Y119 PolarHBondContact N-OH 3.45Å; Q114-A180 VanDerWaalsContact O-CB 3.26Å; Q114-A180 WeakPolarHBondContact O-CB 3.47Å; Q114-T214 PolarHBondContact NE2-O 3.27Å; Q114-V216 PolarHBondContact OE1-O 2.83Å |
| 115 | H | 79.1 | Confident | 65.8 | Low | 46 Ų | 46 | 57.3 Ų | 57.3 | 21% | 0.213 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 129.4 | 178.7 | -177.3 | 60.9 | 0 | 0 | 0 | 112 | L113 N117 V213 T214 F298 | L113-H115 PolarHBondContact O-N 3.37Å; H115-N117 VanDerWaalsContact C-N 3.29Å; H115-N117 PolarHBondContact O-N 2.94Å; H115-V213 HydrophobicContact CB-CG1 3.85Å; H115-T214 PolarHBondContact N-O 2.87Å; H115-F298 HydrophobicContact CB-CE2 4.35Å; H115-F298 AromaticContact CD2-CE2 3.79Å; H115-F298 AromaticContact CE1-CE2 3.52Å; H115-F298 AromaticContact CE1-CZ 3.37Å; H115-F298 WeakPolarHBondContact CE1-CZ 3.33Å; H115-F298 AromaticContact CG-CE2 3.62Å; H115-F298 AromaticContact CG-CZ 3.97Å; H115-F298 AromaticContact ND1-CE2 3.45Å; H115-F298 WeakPolarHBondContact ND1-CE2 3.26Å; H115-F298 AromaticContact ND1-CZ 3.3Å; H115-F298 VanDerWaalsContact ND1-CZ 3.3Å; H115-F298 WeakPolarHBondContact ND1-CZ 3.44Å; H115-F298 AromaticContact NE2-CE2 3.76Å |
| 116 | R | 72.5 | Confident | 67.9 | Low | 183 Ų | 183 | 55 Ų | 55 | 69% | 0.691 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 5 | -177.8 | -57.7 | 173 | -174.9 | -164.7 | -2.6 | 116.4 | Q114 A180 | Q114-R116 PolarHBondContact O-N 2.85Å; R116-A180 PolarHBondContact N-O 2.77Å |
| 117 | N | 70.6 | Confident | 69.8 | Low | 79 Ų | 79 | 51.3 Ų | 51.3 | 42% | 0.422 | 24% | 0.24 | S | C | . | . | trans | -80.5 | 159.2 | 171.2 | -76.6 | 6.3 | 0 | 0 | 0 | 111.9 | Q114 H115 Y119 I179 A180 | Q114-N117 HydrophobicContact CB-CB 4.17Å; Q114-N117 WeakPolarHBondContact CB-ND2 3.23Å; Q114-N117 WeakPolarHBondContact O-CB 3.46Å; Q114-N117 PolarHBondContact O-N 2.85Å; Q114-N117 VanDerWaalsContact O-N 3.1Å; H115-N117 VanDerWaalsContact C-N 3.29Å; H115-N117 PolarHBondContact O-N 2.94Å; N117-Y119 HydrophobicContact CB-CD2 4.45Å; N117-Y119 HydrophobicContact CB-CE2 3.6Å; N117-I179 WeakPolarHBondContact O-CA 3.39Å; N117-A180 PolarHBondContact O-N 2.81Å | ||
| 118 | Y | 70.7 | Confident | 71.6 | Confident | 149 Ų | 149 | 50.6 Ų | 50.6 | 58% | 0.584 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 133.6 | -179.6 | -65.9 | -102.7 | 0 | 0 | 0 | 111.2 | V178 I179 | Y118-V178 WeakPolarHBondContact CA-O 3.44Å; Y118-I179 HydrophobicContact CD1-CD1 4.16Å; Y118-I179 HydrophobicContact CD1-CG1 3.59Å; Y118-I179 HydrophobicContact CE1-CD1 3.5Å; Y118-I179 HydrophobicContact CE1-CG1 3.48Å; Y118-I179 VanDerWaalsContact CE1-CG1 3.48Å; Y118-I179 HydrophobicContact CG-CG1 4.3Å |
| 119 | Y | 74.1 | Confident | 73.2 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.016 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 172 | -179.6 | -61.5 | -84.9 | 0 | 0 | 0 | 110 | I98 A99 L113 Q114 N117 P177 V178 A180 E220 | I98-Y119 HydrophobicContact CG2-CD1 4.09Å; I98-Y119 HydrophobicContact CG2-CG 4.12Å; A99-Y119 CarbonylContact O-C 2.97Å; A99-Y119 WeakPolarHBondContact O-CA 3.37Å; L113-Y119 HydrophobicContact CB-CD2 4.2Å; L113-Y119 HydrophobicContact CB-CE2 3.68Å; L113-Y119 HydrophobicContact CD1-CD2 4.08Å; L113-Y119 HydrophobicContact CD1-CE2 4.41Å; L113-Y119 HydrophobicContact CD1-CG 4.43Å; L113-Y119 HydrophobicContact CD2-CD1 3.95Å; L113-Y119 HydrophobicContact CD2-CD2 4.18Å; L113-Y119 HydrophobicContact CD2-CE1 3.86Å; L113-Y119 HydrophobicContact CD2-CE2 4.1Å; L113-Y119 HydrophobicContact CD2-CG 4.1Å; L113-Y119 HydrophobicContact CG-CD2 4.38Å; L113-Y119 HydrophobicContact CG-CE2 4.27Å; Q114-Y119 PolarHBondContact N-OH 3.45Å; N117-Y119 HydrophobicContact CB-CD2 4.45Å; N117-Y119 HydrophobicContact CB-CE2 3.6Å; Y119-P177 CarbonylContact O-C 3.41Å; Y119-P177 WeakPolarHBondContact O-CA 3.08Å; Y119-V178 PolarHBondContact N-O 3.18Å; Y119-V178 PolarHBondContact O-N 2.89Å; Y119-V178 VanDerWaalsContact O-O 3.1Å; Y119-A180 HydrophobicContact CD2-CB 3.82Å; Y119-A180 HydrophobicContact CE2-CB 3.68Å; Y119-E220 PolarHBondContact OH-OE1 3.31Å |
| 120 | S | 72.9 | Confident | 74.7 | Confident | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.028 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 130.5 | 174.5 | -69.5 | 0 | 0 | 0 | 0 | 109.7 | I98 A99 R175 L176 | I98-S120 CarbonylContact C-O 3.47Å; I98-S120 WeakPolarHBondContact CA-O 3.5Å; A99-S120 PolarHBondContact N-O 3.24Å; A99-S120 PolarHBondContact O-N 3.16Å; S120-R175 PolarHBondContact OG-NE 3.38Å; S120-R175 VanDerWaalsContact OG-NE 3.08Å; S120-R175 PolarHBondContact OG-NH2 3.2Å; S120-L176 CarbonylContact C-O 3.55Å; S120-L176 WeakPolarHBondContact CA-O 3.37Å |
| 121 | I | 77 | Confident | 75.9 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 129.1 | 167.3 | -61.8 | 144.1 | 0 | 0 | 0 | 107.4 | G97 L135 R175 L176 V178 Y186 I209 | G97-I121 WeakPolarHBondContact O-CA 3.44Å; I121-L135 HydrophobicContact CG2-CD1 3.93Å; I121-R175 CarbonylContact O-C 3.39Å; I121-R175 VanDerWaalsContact O-CA 3.27Å; I121-R175 WeakPolarHBondContact O-CA 3.44Å; I121-L176 HydrophobicContact CB-CB 4.37Å; I121-L176 HydrophobicContact CD1-CB 4.47Å; I121-L176 HydrophobicContact CD1-CD2 4.03Å; I121-L176 HydrophobicContact CD1-CG 4.47Å; I121-L176 PolarHBondContact N-O 2.89Å; I121-L176 PolarHBondContact O-N 3.38Å; I121-V178 HydrophobicContact CD1-CB 4.28Å; I121-V178 HydrophobicContact CD1-CG1 3.41Å; I121-V178 VanDerWaalsContact CD1-CG1 3.41Å; I121-V178 HydrophobicContact CD1-CG2 3.91Å; I121-V178 HydrophobicContact CG1-CG1 4.39Å; I121-V178 HydrophobicContact CG1-CG2 4.1Å; I121-Y186 HydrophobicContact CD1-CD1 3.71Å; I121-Y186 HydrophobicContact CD1-CD2 3.35Å; I121-Y186 HydrophobicContact CD1-CE1 3.49Å; I121-Y186 VanDerWaalsContact CD1-CE1 3.49Å; I121-Y186 HydrophobicContact CD1-CE2 3.14Å; I121-Y186 HydrophobicContact CD1-CG 3.65Å; I121-Y186 HydrophobicContact CG1-CD2 3.83Å; I121-Y186 HydrophobicContact CG1-CE2 3.95Å; I121-Y186 HydrophobicContact CG1-CG 4.27Å; I121-I209 HydrophobicContact CG2-CD1 3.59Å |
| 122 | V | 76.6 | Confident | 76.6 | Confident | 18 Ų | 18 | 41.7 Ų | 41.7 | 11% | 0.109 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 133.5 | -180 | -177.4 | 0 | 0 | 0 | 0 | 108.4 | A96 G97 A99 R124 F174 R175 | A96-V122 CarbonylContact C-O 3.56Å; A96-V122 VanDerWaalsContact CA-O 3.27Å; A96-V122 WeakPolarHBondContact CA-O 3.29Å; G97-V122 PolarHBondContact N-O 3.21Å; G97-V122 PolarHBondContact O-N 3.26Å; A99-V122 HydrophobicContact CB-CG2 4.21Å; V122-R124 HydrophobicContact CG1-CG 4.47Å; V122-F174 CarbonylContact C-O 3.55Å; V122-F174 WeakPolarHBondContact CA-O 3.25Å; V122-R175 HydrophobicContact CG2-CG 4.29Å |
| 123 | C | 81.3 | Confident | 76.9 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 143.6 | 165.2 | -168.7 | 0 | 0 | 0 | 0 | 110.8 | S95 I133 L135 S173 F174 C188 | S95-C123 CarbonylContact O-C 3.56Å; S95-C123 WeakPolarHBondContact O-CA 3.23Å; C123-I133 HydrophobicContact CB-CG2 4.22Å; C123-L135 HydrophobicContact CB-CD2 4.49Å; C123-S173 CarbonylContact O-C 3.47Å; C123-S173 VanDerWaalsContact O-CA 3.29Å; C123-S173 WeakPolarHBondContact O-CA 3.48Å; C123-S173 PolarHBondContact O-OG 3.39Å; C123-F174 PolarHBondContact N-O 2.97Å; C123-F174 PolarHBondContact O-N 3.47Å; C123-C188 HydrophobicContact CB-CB 3.64Å; C123-C188 WeakPolarHBondContact CB-SG 3.36Å; C123-C188 WeakPolarHBondContact SG-CB 3.49Å; C123-C188 CovalentContact SG-SG 1.99Å; C123-C188 PolarHBondContact SG-SG 3.31Å |
| 124 | R | 82.5 | Confident | 76.8 | Confident | 46 Ų | 46 | 43.5 Ų | 43.5 | 17% | 0.174 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 130.2 | 178.5 | -69.6 | 176.2 | 176.8 | -164.1 | 2.1 | 109 | I93 V94 S95 V122 E171 T172 S173 | I93-R124 CarbonylContact C-O 3.54Å; I93-R124 WeakPolarHBondContact CA-O 3.42Å; I93-R124 WeakPolarHBondContact CG2-O 3.3Å; V94-R124 HydrophobicContact CB-CB 4.16Å; V94-R124 PolarHBondContact N-O 3.35Å; S95-R124 PolarHBondContact N-O 2.91Å; S95-R124 PolarHBondContact O-N 3.36Å; S95-R124 WeakPolarHBondContact OG-CB 3.44Å; S95-R124 WeakPolarHBondContact OG-CD 3.48Å; V122-R124 HydrophobicContact CG1-CG 4.47Å; R124-E171 WeakPolarHBondContact CB-OE1 3.37Å; R124-E171 WeakPolarHBondContact CD-OE1 3.23Å; R124-E171 WeakPolarHBondContact CG-OE1 3.34Å; R124-T172 CarbonylContact C-O 3.49Å; R124-T172 WeakPolarHBondContact CA-O 3.45Å; R124-S173 WeakPolarHBondContact CG-OG 3.21Å |
| 125 | A | 82.6 | Confident | 76.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 142.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I92 I93 P131 I133 E171 T172 A190 | I92-A125 CarbonylContact O-C 3.56Å; I92-A125 WeakPolarHBondContact O-CA 3.35Å; I93-A125 HydrophobicContact CG1-CB 4.27Å; A125-P131 HydrophobicContact CB-CB 4.04Å; A125-P131 HydrophobicContact CB-CG 3.69Å; A125-P131 VanDerWaalsContact O-CG 3.29Å; A125-P131 WeakPolarHBondContact O-CG 3.37Å; A125-I133 HydrophobicContact CB-CD1 4.04Å; A125-I133 HydrophobicContact CB-CG1 4.14Å; A125-E171 CarbonylContact O-C 3.39Å; A125-E171 VanDerWaalsContact O-CA 3.23Å; A125-E171 WeakPolarHBondContact O-CA 3.39Å; A125-T172 PolarHBondContact N-O 3.44Å; A125-T172 PolarHBondContact O-N 3.05Å; A125-A190 HydrophobicContact CB-CB 3.54Å |
| 126 | Y | 81.5 | Confident | 76.2 | Confident | 63 Ų | 63 | 43.5 Ų | 43.5 | 25% | 0.247 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 135.6 | -178.3 | 176.7 | -83 | 0 | 0 | 0 | 110.5 | V62 P91 I92 Y170 | V62-Y126 HydrophobicContact CG2-CE1 3.92Å; P91-Y126 CarbonylContact C-O 3.53Å; P91-Y126 WeakPolarHBondContact CA-O 3.42Å; I92-Y126 PolarHBondContact N-O 3.03Å; I92-Y126 PolarHBondContact O-N 3.23Å; Y126-Y170 CarbonylContact C-O 3.52Å; Y126-Y170 WeakPolarHBondContact CA-O 2.88Å; Y126-Y170 HydrophobicContact CE2-CD2 4.01Å; Y126-Y170 HydrophobicContact CE2-CG 4.25Å; Y126-Y170 AromaticContact CZ-CD2 3.86Å; Y126-Y170 WeakPolarHBondContact OH-CD2 3.19Å |
| 127 | G | 78.5 | Confident | 76.4 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.5 | 166 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P129 Y170 | G127-P129 CarbonylContact C-O 3.59Å; G127-Y170 PolarHBondContact N-O 3.04Å; G127-Y170 WeakPolarHBondContact O-CB 3.46Å |
| 128 | F | 75.2 | Confident | 76.4 | Confident | 66 Ų | 66 | 32 Ų | 32 | 29% | 0.289 | 15% | 0.145 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 125.4 | 174.7 | -170.5 | -100.6 | 0 | 0 | 0 | 112.7 | V62 I87 F88 S89 Y170 | V62-F128 HydrophobicContact CG1-CB 3.29Å; V62-F128 HydrophobicContact CG1-CG 4.07Å; I87-F128 WeakPolarHBondContact O-CD1 3.42Å; F88-F128 WeakPolarHBondContact CA-O 3.27Å; F88-F128 HydrophobicContact CD1-CD1 4.21Å; F88-F128 HydrophobicContact CD1-CE1 4.5Å; F88-F128 HydrophobicContact CE1-CE1 4.4Å; S89-F128 PolarHBondContact N-O 3.4Å; S89-F128 PolarHBondContact O-N 2.8Å; S89-F128 VanDerWaalsContact O-O 3.06Å; F128-Y170 HydrophobicContact CB-CD1 3.65Å; F128-Y170 HydrophobicContact CB-CE1 3.92Å; F128-Y170 HydrophobicContact CB-CG 4.5Å; F128-Y170 AromaticContact CD2-CD1 3.55Å; F128-Y170 HydrophobicContact CD2-CD1 3.55Å; F128-Y170 AromaticContact CD2-CE1 3.41Å; F128-Y170 HydrophobicContact CD2-CE1 3.41Å; F128-Y170 VanDerWaalsContact CD2-CE1 3.41Å; F128-Y170 HydrophobicContact CE2-CE1 4.09Å; F128-Y170 AromaticContact CG-CD1 3.93Å; F128-Y170 HydrophobicContact CG-CD1 3.93Å; F128-Y170 AromaticContact CG-CE1 3.8Å; F128-Y170 HydrophobicContact CG-CE1 3.8Å |
| 129 | P | 74.5 | Confident | 76.4 | Confident | 40 Ų | 40 | 32.6 Ų | 32.6 | 26% | 0.26 | 15% | 0.146 | S | C | . | . | S | Bend | cis | -59.9 | 156.5 | -0.6 | 27.7 | -36.4 | 0 | 0 | 0 | 112.5 | G127 A193 N194 | G127-P129 CarbonylContact C-O 3.59Å; P129-A193 HydrophobicContact CB-CB 4.19Å; P129-A193 HydrophobicContact CG-CB 4.26Å; P129-N194 HydrophobicContact CG-CB 4.43Å |
| 130 | L | 73.7 | Confident | 76 | Confident | 49 Ų | 49 | 33.7 Ų | 33.7 | 26% | 0.257 | 15% | 0.154 | S | C | . | . | P | Polyproline II helix | trans | -48.8 | 135.4 | -173.1 | -79.5 | 163.2 | 0 | 0 | 0 | 111.5 | V165 Y170 A193 | L130-V165 HydrophobicContact CD1-CB 4.26Å; L130-V165 HydrophobicContact CD1-CG1 3.33Å; L130-V165 HydrophobicContact CD1-CG2 3.88Å; L130-V165 HydrophobicContact CD2-CG1 4.12Å; L130-V165 HydrophobicContact CG-CG1 4.37Å; L130-Y170 VanDerWaalsContact CD2-C 3.46Å; L130-A193 WeakPolarHBondContact O-CB 3.44Å |
| 131 | P | 76.3 | Confident | 75.6 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.019 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 133.9 | -176.4 | 27.1 | -32.5 | 0 | 0 | 0 | 112 | P91 A125 T172 A190 N191 | P91-P131 HydrophobicContact CB-CB 3.82Å; A125-P131 HydrophobicContact CB-CB 4.04Å; A125-P131 HydrophobicContact CB-CG 3.69Å; A125-P131 VanDerWaalsContact O-CG 3.29Å; A125-P131 WeakPolarHBondContact O-CG 3.37Å; P131-T172 WeakPolarHBondContact O-CB 3.26Å; P131-T172 WeakPolarHBondContact O-CG2 3.32Å; P131-T172 PolarHBondContact O-OG1 2.85Å; P131-T172 VanDerWaalsContact O-OG1 3.09Å; P131-A190 HydrophobicContact CB-CB 4.26Å; P131-N191 CarbonylContact C-O 3.57Å; P131-N191 WeakPolarHBondContact CA-O 3.39Å |
| 132 | E | 76.8 | Confident | 74.8 | Confident | 65 Ų | 65 | 39.4 Ų | 39.4 | 30% | 0.304 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 121.9 | 168 | -168.7 | -169.4 | 141.8 | 0 | 0 | 109.2 | Q134 A190 N191 | E132-Q134 PolarHBondContact OE1-NE2 3.28Å; E132-A190 WeakPolarHBondContact O-CA 3.49Å; E132-N191 HydrophobicContact CB-CB 4.43Å; E132-N191 PolarHBondContact N-O 3.43Å; E132-N191 PolarHBondContact O-N 2.64Å |
| 133 | I | 78.8 | Confident | 73.8 | Confident | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 125.7 | 177.5 | -63.3 | 179.9 | 0 | 0 | 0 | 110.2 | C123 A125 T172 F174 L189 | C123-I133 HydrophobicContact CB-CG2 4.22Å; A125-I133 HydrophobicContact CB-CD1 4.04Å; A125-I133 HydrophobicContact CB-CG1 4.14Å; I133-T172 HydrophobicContact CD1-CG2 3.93Å; I133-T172 WeakPolarHBondContact CD1-O 3.38Å; I133-T172 HydrophobicContact CG1-CG2 4Å; I133-F174 HydrophobicContact CB-CB 4.07Å; I133-F174 HydrophobicContact CD1-CB 4.17Å; I133-F174 HydrophobicContact CG2-CB 3.58Å; I133-F174 HydrophobicContact CG2-CD2 4.42Å; I133-F174 HydrophobicContact CG2-CG 4.07Å; I133-L189 CarbonylContact C-O 3.38Å; I133-L189 WeakPolarHBondContact CA-O 3.37Å |
| 134 | Q | 76.7 | Confident | 72.4 | Confident | 48 Ų | 48 | 53.5 Ų | 53.5 | 22% | 0.224 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135.1 | 173 | -63.9 | 179.6 | -9.4 | 0 | 0 | 110.1 | E132 Y136 L189 N191 | E132-Q134 PolarHBondContact OE1-NE2 3.28Å; Q134-Y136 HydrophobicContact CB-CE2 3.85Å; Q134-Y136 PolarHBondContact OE1-OH 2.85Å; Q134-L189 HydrophobicContact CB-CB 4.33Å; Q134-L189 HydrophobicContact CB-CD2 4.32Å; Q134-L189 PolarHBondContact N-O 3.32Å; Q134-L189 PolarHBondContact O-N 2.95Å; Q134-N191 PolarHBondContact OE1-ND2 2.9Å |
| 135 | L | 73.1 | Confident | 71.2 | Confident | 20 Ų | 20 | 59.9 Ų | 59.9 | 11% | 0.105 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 130.8 | 172.6 | -68.1 | -164.2 | 0 | 0 | 0 | 111.2 | I121 C123 F174 L176 I187 C188 | I121-L135 HydrophobicContact CG2-CD1 3.93Å; C123-L135 HydrophobicContact CB-CD2 4.49Å; L135-F174 HydrophobicContact CB-CE1 4.34Å; L135-F174 HydrophobicContact CD1-CD1 3.44Å; L135-F174 VanDerWaalsContact CD1-CD1 3.44Å; L135-F174 HydrophobicContact CD1-CE1 3.2Å; L135-F174 HydrophobicContact CD1-CZ 4.26Å; L135-F174 HydrophobicContact CD2-CD1 4.4Å; L135-F174 HydrophobicContact CG-CD1 3.63Å; L135-F174 HydrophobicContact CG-CE1 3.52Å; L135-F174 HydrophobicContact CG-CG 4.45Å; L135-F174 HydrophobicContact CG-CZ 4.27Å; L135-L176 HydrophobicContact CD1-CB 4.21Å; L135-L176 HydrophobicContact CD1-CD2 4.18Å; L135-I187 WeakPolarHBondContact CA-O 3.41Å; L135-C188 HydrophobicContact CD2-CB 3.8Å |
| 136 | Y | 73.7 | Confident | 70.2 | Confident | 72 Ų | 72 | 61.9 Ų | 61.9 | 28% | 0.282 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 156.9 | 166.1 | -48.2 | -111.8 | 0 | 0 | 0 | 109.6 | Q134 A150 Y186 I187 L189 | Q134-Y136 HydrophobicContact CB-CE2 3.85Å; Q134-Y136 PolarHBondContact OE1-OH 2.85Å; Y136-A150 HydrophobicContact CD1-CB 4.05Å; Y136-A150 HydrophobicContact CE1-CB 4.12Å; Y136-Y186 CarbonylContact O-C 3.41Å; Y136-Y186 VanDerWaalsContact O-CA 3.3Å; Y136-Y186 WeakPolarHBondContact O-CA 3.11Å; Y136-I187 VanDerWaalsContact CB-CG2 3.4Å; Y136-I187 HydrophobicContact CD2-CG2 3.8Å; Y136-I187 HydrophobicContact CG-CG2 3.98Å; Y136-I187 PolarHBondContact N-O 2.79Å; Y136-I187 PolarHBondContact O-N 2.96Å; Y136-L189 HydrophobicContact CE2-CB 4.4Å; Y136-L189 HydrophobicContact CE2-CD2 4.17Å |
| 137 | S | 76.6 | Confident | 69.4 | Low | 15 Ų | 15 | 67.2 Ų | 67.2 | 11% | 0.105 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 154.5 | 178.2 | 78.6 | 0 | 0 | 0 | 0 | 112 | M149 N151 S185 Y186 | S137-M149 PolarHBondContact N-O 3.11Å; S137-M149 PolarHBondContact O-N 3.39Å; S137-N151 WeakPolarHBondContact CB-OD1 3.32Å; S137-N151 PolarHBondContact OG-OD1 2.85Å; S137-S185 WeakPolarHBondContact CA-O 3.44Å; S137-Y186 VanDerWaalsContact CB-CE1 3.45Å |
| 138 | R | 72.2 | Confident | 68.7 | Low | 6 Ų | 6 | 71.2 Ų | 71.2 | 2% | 0.023 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 150.9 | 168.7 | 62.5 | 175.2 | -173.1 | -165.4 | -3.4 | 109.5 | C140 L141 C146 W148 G184 S185 | R138-C140 VanDerWaalsContact C-N 3.33Å; R138-C140 WeakPolarHBondContact CD-O 3.46Å; R138-C140 WeakPolarHBondContact CG-O 3.47Å; R138-C140 PolarHBondContact NE-O 3.42Å; R138-C140 PolarHBondContact O-N 3.43Å; R138-L141 PolarHBondContact NH2-O 2.92Å; R138-C146 HydrophobicContact CB-CB 4.4Å; R138-W148 HydrophobicContact CB-CE3 4.25Å; R138-W148 HydrophobicContact CB-CZ3 4.44Å; R138-W148 HydrophobicContact CG-CE3 4.1Å; R138-W148 HydrophobicContact CG-CH2 4.12Å; R138-W148 HydrophobicContact CG-CZ3 3.84Å; R138-G184 CarbonylContact O-C 3.59Å; R138-G184 WeakPolarHBondContact O-CA 3.25Å; R138-S185 PolarHBondContact N-O 3.4Å; R138-S185 PolarHBondContact NE-OG 3.07Å; R138-S185 PolarHBondContact NH2-OG 3.35Å; R138-S185 PolarHBondContact O-N 2.85Å |
| 139 | R | 69.6 | Low | 67.9 | Low | 160 Ų | 160 | 72.5 Ų | 72.5 | 60% | 0.604 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -95.5 | 23.8 | -177.8 | -58.9 | -177.5 | -173.2 | 163.3 | 3.7 | 113.4 | M149 T183 | R139-M149 HydrophobicContact CG-CE 4.36Å; R139-T183 CarbonylContact C-O 3.57Å |
| 140 | C | 66.2 | Low | 67.1 | Low | 27 Ų | 27 | 72.5 Ų | 72.5 | 18% | 0.182 | 35% | 0.35 | C | S | . | . | trans | -149.5 | 157 | 177.5 | 73 | 0 | 0 | 0 | 0 | 111.4 | R138 C146 S185 | R138-C140 VanDerWaalsContact C-N 3.33Å; R138-C140 WeakPolarHBondContact CD-O 3.46Å; R138-C140 WeakPolarHBondContact CG-O 3.47Å; R138-C140 PolarHBondContact NE-O 3.42Å; R138-C140 PolarHBondContact O-N 3.43Å; C140-C146 HydrophobicContact CB-CB 4.33Å; C140-C146 WeakPolarHBondContact CB-SG 3.36Å; C140-C146 WeakPolarHBondContact SG-CB 3.37Å; C140-C146 CovalentContact SG-SG 2.02Å; C140-C146 PolarHBondContact SG-SG 2.82Å; C140-S185 PolarHBondContact O-OG 2.98Å | ||
| 141 | L | 63.9 | Low | 65.9 | Low | 67 Ų | 67 | 72.1 Ų | 72.1 | 35% | 0.351 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -90.1 | -23.5 | 178.8 | -59 | 170.4 | 0 | 0 | 0 | 112.8 | R138 T183 D210 V212 | R138-L141 PolarHBondContact NH2-O 2.92Å; L141-T183 HydrophobicContact CD1-CG2 3.78Å; L141-T183 HydrophobicContact CD2-CG2 4.06Å; L141-T183 HydrophobicContact CG-CG2 3.73Å; L141-D210 HydrophobicContact CD2-CB 4.17Å; L141-V212 HydrophobicContact CD1-CG2 3.94Å |
| 142 | S | 59.7 | Low | 64.3 | Low | 58 Ų | 58 | 79.7 Ų | 79.7 | 41% | 0.406 | 38% | 0.383 | S | S | . | . | trans | -76.7 | 130.5 | -177.2 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | E144 | S142-E144 VanDerWaalsContact C-N 3.28Å; S142-E144 PolarHBondContact O-N 3.4Å | ||
| 143 | H | 56 | Low | 62.3 | Low | 132 Ų | 132 | 81.6 Ų | 81.6 | 61% | 0.611 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -24.9 | 178.3 | -91.2 | -92.4 | 0 | 0 | 0 | 114.3 | ||
| 144 | E | 53 | Low | 60.5 | Low | 181 Ų | 181 | 85 Ų | 85 | 85% | 0.846 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -13.4 | -168.9 | -67.5 | -178.3 | 165.3 | 0 | 0 | 114.8 | S142 | S142-E144 VanDerWaalsContact C-N 3.28Å; S142-E144 PolarHBondContact O-N 3.4Å |
| 145 | K | 56.4 | Low | 58.2 | Low | 180 Ų | 180 | 85.2 Ų | 85.2 | 78% | 0.783 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | -9.9 | -166.8 | -71.1 | -175.8 | -179.9 | 176.9 | 0 | 116.6 | ||
| 146 | C | 61.3 | Low | 56.2 | Low | 43 Ų | 43 | 90.8 Ų | 90.8 | 29% | 0.291 | 47% | 0.466 | S | S | . | . | trans | -135.3 | 128 | 179.6 | -46 | 0 | 0 | 0 | 0 | 112.1 | R138 C140 | R138-C146 HydrophobicContact CB-CB 4.4Å; C140-C146 HydrophobicContact CB-CB 4.33Å; C140-C146 WeakPolarHBondContact CB-SG 3.36Å; C140-C146 WeakPolarHBondContact SG-CB 3.37Å; C140-C146 CovalentContact SG-SG 2.02Å; C140-C146 PolarHBondContact SG-SG 2.82Å | ||
| 147 | E | 65.2 | Low | 54.3 | Low | 175 Ų | 175 | 92.9 Ų | 92.9 | 82% | 0.818 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 148.3 | 167.6 | -64.5 | -176.3 | 165.7 | 0 | 0 | 110.8 | M149 | E147-M149 PolarHBondContact O-N 2.86Š|
| 148 | W | 64.1 | Low | 52.3 | Low | 83 Ų | 83 | 95.6 Ų | 95.6 | 31% | 0.314 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 118.7 | 172.3 | -71.3 | 101.5 | 0 | 0 | 0 | 109.4 | R138 I187 I208 | R138-W148 HydrophobicContact CB-CE3 4.25Å; R138-W148 HydrophobicContact CB-CZ3 4.44Å; R138-W148 HydrophobicContact CG-CE3 4.1Å; R138-W148 HydrophobicContact CG-CH2 4.12Å; R138-W148 HydrophobicContact CG-CZ3 3.84Å; W148-I187 HydrophobicContact CD2-CG2 3.96Å; W148-I187 HydrophobicContact CE3-CB 4.09Å; W148-I187 HydrophobicContact CE3-CG2 3.48Å; W148-I187 VanDerWaalsContact CE3-CG2 3.48Å; W148-I187 HydrophobicContact CH2-CB 3.61Å; W148-I187 HydrophobicContact CH2-CG2 3.98Å; W148-I187 HydrophobicContact CZ2-CB 4.09Å; W148-I187 HydrophobicContact CZ2-CD1 4.43Å; W148-I187 HydrophobicContact CZ2-CG2 4.4Å; W148-I187 HydrophobicContact CZ3-CB 3.6Å; W148-I187 HydrophobicContact CZ3-CG2 3.49Å; W148-I187 VanDerWaalsContact CZ3-CG2 3.49Å; W148-I208 HydrophobicContact CH2-CG1 4.45Å; W148-I208 HydrophobicContact CH2-CG2 4.32Å; W148-I208 HydrophobicContact CZ2-CD1 4.25Å; W148-I208 HydrophobicContact CZ2-CG1 4.39Å |
| 149 | M | 58.7 | Low | 50.5 | Low | 93 Ų | 93 | 102.4 Ų | 102.4 | 46% | 0.458 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 126.5 | 173.4 | -64.7 | 179.6 | -69.4 | 0 | 0 | 108.4 | S137 R139 E147 N151 | S137-M149 PolarHBondContact N-O 3.11Å; S137-M149 PolarHBondContact O-N 3.39Å; R139-M149 HydrophobicContact CG-CE 4.36Å; E147-M149 PolarHBondContact O-N 2.86Å; M149-N151 PolarHBondContact O-N 3.07Å |
| 150 | A | 56.6 | Low | 48.8 | Very low | 41 Ų | 41 | 100.9 Ų | 100.9 | 34% | 0.339 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 136.2 | 158.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | Y136 E152 | Y136-A150 HydrophobicContact CD1-CB 4.05Å; Y136-A150 HydrophobicContact CE1-CB 4.12Å; A150-E152 VanDerWaalsContact C-N 3.25Å; A150-E152 PolarHBondContact O-N 3.22Å |
| 151 | N | 49.5 | Very low | 47.6 | Very low | 40 Ų | 40 | 101.2 Ų | 101.2 | 21% | 0.214 | 54% | 0.536 | C | S | . | . | trans | -65.9 | 81.7 | -178.4 | -83.5 | -19.5 | 0 | 0 | 0 | 110.7 | S137 M149 S153 | S137-N151 WeakPolarHBondContact CB-OD1 3.32Å; S137-N151 PolarHBondContact OG-OD1 2.85Å; M149-N151 PolarHBondContact O-N 3.07Å; N151-S153 PolarHBondContact O-N 2.75Å | ||
| 152 | E | 41.6 | Very low | 46.5 | Very low | 163 Ų | 163 | 102.3 Ų | 102.3 | 76% | 0.762 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -19.8 | 177.3 | -68.3 | -174.2 | 158.6 | 0 | 0 | 112.5 | A150 | A150-E152 VanDerWaalsContact C-N 3.25Å; A150-E152 PolarHBondContact O-N 3.22Å |
| 153 | S | 36.2 | Very low | 46 | Very low | 104 Ų | 104 | 99.7 Ų | 99.7 | 73% | 0.727 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -3.2 | -176.9 | 60.2 | 0 | 0 | 0 | 0 | 115.4 | N151 | N151-S153 PolarHBondContact O-N 2.75Š|
| 154 | L | 39.4 | Very low | 45.8 | Very low | 77 Ų | 77 | 99.1 Ų | 99.1 | 40% | 0.403 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -108 | 110.6 | 158.1 | -89.9 | 94 | 0 | 0 | 0 | 105.3 | L158 L176 | L154-L158 HydrophobicContact CB-CD1 4.02Å; L154-L158 HydrophobicContact CD2-CD1 3.38Å; L154-L158 HydrophobicContact CG-CD1 4.33Å; L154-L176 HydrophobicContact CD2-CD1 3.68Å |
| 155 | G | 30.3 | Very low | 45.5 | Very low | 52 Ų | 52 | 92.8 Ų | 92.8 | 54% | 0.536 | 50% | 0.501 | S | S | . | . | trans | -50.1 | 168.7 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | S157 L158 | G155-S157 PolarHBondContact O-N 2.84Å; G155-L158 PolarHBondContact O-N 3.27Å; G155-L158 VanDerWaalsContact O-N 3.12Å | ||
| 156 | N | 31.1 | Very low | 45.3 | Very low | 137 Ų | 137 | 87.2 Ų | 87.2 | 73% | 0.733 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -45.2 | -15.1 | -176.5 | -74 | -22.7 | 0 | 0 | 0 | 116.5 | L158 | N156-L158 PolarHBondContact O-N 3.22Š|
| 157 | S | 32.6 | Very low | 44.4 | Very low | 117 Ų | 117 | 91.7 Ų | 91.7 | 82% | 0.818 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -64.8 | -13.1 | 172.8 | -69.6 | 0 | 0 | 0 | 0 | 115.9 | G155 | G155-S157 PolarHBondContact O-N 2.84Š|
| 158 | L | 35.4 | Very low | 43.7 | Very low | 71 Ų | 71 | 84.4 Ų | 84.4 | 37% | 0.372 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -113.7 | -1.1 | 179.7 | -77.6 | 162.5 | 0 | 0 | 0 | 115 | L154 G155 N156 N160 | L154-L158 HydrophobicContact CB-CD1 4.02Å; L154-L158 HydrophobicContact CD2-CD1 3.38Å; L154-L158 HydrophobicContact CG-CD1 4.33Å; G155-L158 PolarHBondContact O-N 3.27Å; G155-L158 VanDerWaalsContact O-N 3.12Å; N156-L158 PolarHBondContact O-N 3.22Å; L158-N160 PolarHBondContact O-N 2.8Å |
| 159 | R | 34.6 | Very low | 43.3 | Very low | 150 Ų | 150 | 82.7 Ų | 82.7 | 57% | 0.566 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -27.9 | 170.9 | -85.6 | -169.7 | -175.2 | -143.7 | 0.8 | 112 | ||
| 160 | N | 34.2 | Very low | 43.8 | Very low | 128 Ų | 128 | 80.1 Ų | 80.1 | 68% | 0.684 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134 | 36.1 | -173.1 | -58.4 | -10.9 | 0 | 0 | 0 | 111.1 | L158 P162 | L158-N160 PolarHBondContact O-N 2.8Å; N160-P162 WeakPolarHBondContact O-CD 3.45Å |
| 161 | S | 40.8 | Very low | 44.5 | Very low | 33 Ų | 33 | 79.7 Ų | 79.7 | 23% | 0.231 | 44% | 0.441 | C | S | . | . | trans | -74.8 | 104.2 | 158.5 | 61 | 0 | 0 | 0 | 0 | 104.7 | G163 F174 | S161-G163 PolarHBondContact O-N 3.41Å; S161-F174 WeakPolarHBondContact OG-CE2 3.34Å | ||
| 162 | P | 39.9 | Very low | 45.8 | Very low | 91 Ų | 91 | 77.9 Ų | 77.9 | 59% | 0.591 | 43% | 0.431 | S | S | * | . | trans | -51 | 127.4 | 157.8 | 27.3 | -32.2 | 0 | 0 | 0 | 102.9 | N160 | N160-P162 WeakPolarHBondContact O-CD 3.45Š| ||
| 163 | G | 48.4 | Very low | 47.4 | Very low | 3 Ų | 3 | 70.7 Ų | 70.7 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | trans | -47 | 155.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | S161 V165 T172 S173 | S161-G163 PolarHBondContact O-N 3.41Å; G163-V165 VanDerWaalsContact C-N 3.35Å; G163-V165 PolarHBondContact O-N 3.03Å; G163-T172 VanDerWaalsContact CA-CG2 3.45Å; G163-S173 CarbonylContact C-O 3.43Å; G163-S173 WeakPolarHBondContact CA-O 3.42Å | ||
| 164 | E | 52.5 | Low | 49.3 | Very low | 120 Ų | 120 | 66.5 Ų | 66.5 | 56% | 0.561 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -46.9 | 109 | 171.8 | -72.6 | -179.4 | 172.8 | 0 | 0 | 107.5 | F166 S173 | E164-F166 PolarHBondContact O-N 3.09Å; E164-S173 PolarHBondContact N-O 2.92Å; E164-S173 PolarHBondContact O-N 2.97Å |
| 165 | V | 47.7 | Very low | 50.7 | Low | 48 Ų | 48 | 66.6 Ų | 66.6 | 29% | 0.291 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 117.9 | 172.7 | 172.4 | 0 | 0 | 0 | 0 | 102.7 | L130 G163 E167 | L130-V165 HydrophobicContact CD1-CB 4.26Å; L130-V165 HydrophobicContact CD1-CG1 3.33Å; L130-V165 HydrophobicContact CD1-CG2 3.88Å; L130-V165 HydrophobicContact CD2-CG1 4.12Å; L130-V165 HydrophobicContact CG-CG1 4.37Å; G163-V165 VanDerWaalsContact C-N 3.35Å; G163-V165 PolarHBondContact O-N 3.03Å; V165-E167 PolarHBondContact O-N 2.89Å |
| 166 | F | 50.7 | Low | 52.6 | Low | 63 Ų | 63 | 64.6 Ų | 64.6 | 28% | 0.276 | 34% | 0.34 | S | S | . | . | trans | -66.5 | 98.4 | 167.2 | -71.3 | -77.2 | 0 | 0 | 0 | 105.8 | E164 G168 T169 E171 | E164-F166 PolarHBondContact O-N 3.09Å; F166-G168 PolarHBondContact O-N 3.32Å; F166-T169 HydrophobicContact CB-CG2 3.98Å; F166-T169 VanDerWaalsContact CB-OG1 3.25Å; F166-T169 WeakPolarHBondContact CB-OG1 3.4Å; F166-T169 PolarHBondContact O-N 3.12Å; F166-T169 PolarHBondContact O-OG1 3.36Å; F166-T169 VanDerWaalsContact O-OG1 3.09Å; F166-E171 HydrophobicContact CD2-CB 3.98Å; F166-E171 HydrophobicContact CD2-CG 3.86Å; F166-E171 HydrophobicContact CE2-CG 4.14Å; F166-E171 WeakPolarHBondContact CE2-OE1 3.18Å; F166-E171 PolarHBondContact N-O 2.85Å; F166-E171 VanDerWaalsContact N-O 3.13Å | ||
| 167 | E | 42.5 | Very low | 54.3 | Low | 136 Ų | 136 | 62.2 Ų | 62.2 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | 117.1 | 179.1 | -73.4 | -168.2 | 166.1 | 0 | 0 | 108.6 | V24 V165 | V24-E167 HydrophobicContact CB-CB 4.5Å; V24-E167 HydrophobicContact CG1-CB 4.29Å; V24-E167 HydrophobicContact CG1-CG 4.18Å; V24-E167 CarbonylContact O-C 3.52Å; V24-E167 WeakPolarHBondContact O-CB 3.13Å; V165-E167 PolarHBondContact O-N 2.89Å |
| 168 | G | 50.2 | Low | 56.1 | Low | 22 Ų | 22 | 57.6 Ų | 57.6 | 23% | 0.227 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 102.6 | -2.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | K23 V24 F166 | K23-G168 WeakPolarHBondContact CG-O 3.43Å; V24-G168 WeakPolarHBondContact O-CA 3.46Å; V24-G168 PolarHBondContact O-N 3.36Å; F166-G168 PolarHBondContact O-N 3.32Å |
| 169 | T | 56.4 | Low | 57.7 | Low | 48 Ų | 48 | 57.3 Ų | 57.3 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -116.9 | 171 | 172.7 | 77.6 | 0 | 0 | 0 | 0 | 109.8 | F166 E171 | F166-T169 HydrophobicContact CB-CG2 3.98Å; F166-T169 VanDerWaalsContact CB-OG1 3.25Å; F166-T169 WeakPolarHBondContact CB-OG1 3.4Å; F166-T169 PolarHBondContact O-N 3.12Å; F166-T169 PolarHBondContact O-OG1 3.36Å; F166-T169 VanDerWaalsContact O-OG1 3.09Å; T169-E171 PolarHBondContact O-N 3.26Å; T169-E171 VanDerWaalsContact OG1-CB 3.27Å; T169-E171 WeakPolarHBondContact OG1-CB 3.2Å; T169-E171 PolarHBondContact OG1-N 3.35Å |
| 170 | Y | 68.6 | Low | 59.7 | Low | 38 Ų | 38 | 50.2 Ų | 50.2 | 15% | 0.149 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -88.3 | 18.9 | 167 | -59.3 | -70.3 | 0 | 0 | 0 | 111.2 | V62 T63 Y126 G127 F128 L130 | V62-Y170 HydrophobicContact CB-CD1 4.47Å; V62-Y170 HydrophobicContact CB-CD2 3.71Å; V62-Y170 HydrophobicContact CB-CE1 4.42Å; V62-Y170 HydrophobicContact CB-CE2 3.66Å; V62-Y170 HydrophobicContact CB-CG 4.12Å; V62-Y170 HydrophobicContact CG1-CD1 3.47Å; V62-Y170 VanDerWaalsContact CG1-CD1 3.47Å; V62-Y170 HydrophobicContact CG1-CD2 3.59Å; V62-Y170 HydrophobicContact CG1-CE1 3.36Å; V62-Y170 HydrophobicContact CG1-CE2 3.49Å; V62-Y170 VanDerWaalsContact CG1-CE2 3.49Å; V62-Y170 HydrophobicContact CG1-CG 3.57Å; V62-Y170 WeakPolarHBondContact O-CE2 3.33Å; V62-Y170 VanDerWaalsContact O-CZ 3.25Å; V62-Y170 PolarHBondContact O-OH 3.01Å; T63-Y170 HydrophobicContact CG2-CD2 4.31Å; T63-Y170 HydrophobicContact CG2-CE2 3.99Å; Y126-Y170 CarbonylContact C-O 3.52Å; Y126-Y170 WeakPolarHBondContact CA-O 2.88Å; Y126-Y170 HydrophobicContact CE2-CD2 4.01Å; Y126-Y170 HydrophobicContact CE2-CG 4.25Å; Y126-Y170 AromaticContact CZ-CD2 3.86Å; Y126-Y170 WeakPolarHBondContact OH-CD2 3.19Å; G127-Y170 PolarHBondContact N-O 3.04Å; G127-Y170 WeakPolarHBondContact O-CB 3.46Å; F128-Y170 HydrophobicContact CB-CD1 3.65Å; F128-Y170 HydrophobicContact CB-CE1 3.92Å; F128-Y170 HydrophobicContact CB-CG 4.5Å; F128-Y170 AromaticContact CD2-CD1 3.55Å; F128-Y170 HydrophobicContact CD2-CD1 3.55Å; F128-Y170 AromaticContact CD2-CE1 3.41Å; F128-Y170 HydrophobicContact CD2-CE1 3.41Å; F128-Y170 VanDerWaalsContact CD2-CE1 3.41Å; F128-Y170 HydrophobicContact CE2-CE1 4.09Å; F128-Y170 AromaticContact CG-CD1 3.93Å; F128-Y170 HydrophobicContact CG-CD1 3.93Å; F128-Y170 AromaticContact CG-CE1 3.8Å; F128-Y170 HydrophobicContact CG-CE1 3.8Å; L130-Y170 VanDerWaalsContact CD2-C 3.46Å |
| 171 | E | 73 | Confident | 61.4 | Low | 32 Ų | 32 | 50.6 Ų | 50.6 | 15% | 0.15 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 134.9 | -173.3 | -168.8 | -179 | 159.9 | 0 | 0 | 112.5 | R124 A125 F166 T169 | R124-E171 WeakPolarHBondContact CB-OE1 3.37Å; R124-E171 WeakPolarHBondContact CD-OE1 3.23Å; R124-E171 WeakPolarHBondContact CG-OE1 3.34Å; A125-E171 CarbonylContact O-C 3.39Å; A125-E171 VanDerWaalsContact O-CA 3.23Å; A125-E171 WeakPolarHBondContact O-CA 3.39Å; F166-E171 HydrophobicContact CD2-CB 3.98Å; F166-E171 HydrophobicContact CD2-CG 3.86Å; F166-E171 HydrophobicContact CE2-CG 4.14Å; F166-E171 WeakPolarHBondContact CE2-OE1 3.18Å; F166-E171 PolarHBondContact N-O 2.85Å; F166-E171 VanDerWaalsContact N-O 3.13Å; T169-E171 PolarHBondContact O-N 3.26Å; T169-E171 VanDerWaalsContact OG1-CB 3.27Å; T169-E171 WeakPolarHBondContact OG1-CB 3.2Å; T169-E171 PolarHBondContact OG1-N 3.35Å |
| 172 | T | 75.5 | Confident | 62.9 | Low | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 136.2 | 170.6 | -59.2 | 0 | 0 | 0 | 0 | 108.6 | R124 A125 P131 I133 G163 | R124-T172 CarbonylContact C-O 3.49Å; R124-T172 WeakPolarHBondContact CA-O 3.45Å; A125-T172 PolarHBondContact N-O 3.44Å; A125-T172 PolarHBondContact O-N 3.05Å; P131-T172 WeakPolarHBondContact O-CB 3.26Å; P131-T172 WeakPolarHBondContact O-CG2 3.32Å; P131-T172 PolarHBondContact O-OG1 2.85Å; P131-T172 VanDerWaalsContact O-OG1 3.09Å; I133-T172 HydrophobicContact CD1-CG2 3.93Å; I133-T172 WeakPolarHBondContact CD1-O 3.38Å; I133-T172 HydrophobicContact CG1-CG2 4Å; G163-T172 VanDerWaalsContact CA-CG2 3.45Å |
| 173 | S | 74.8 | Confident | 64.7 | Low | 12 Ų | 12 | 50.6 Ų | 50.6 | 8% | 0.084 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 133.9 | 175.6 | -169.1 | 0 | 0 | 0 | 0 | 113.1 | C123 R124 G163 E164 | C123-S173 CarbonylContact O-C 3.47Å; C123-S173 VanDerWaalsContact O-CA 3.29Å; C123-S173 WeakPolarHBondContact O-CA 3.48Å; C123-S173 PolarHBondContact O-OG 3.39Å; R124-S173 WeakPolarHBondContact CG-OG 3.21Å; G163-S173 CarbonylContact C-O 3.43Å; G163-S173 WeakPolarHBondContact CA-O 3.42Å; E164-S173 PolarHBondContact N-O 2.92Å; E164-S173 PolarHBondContact O-N 2.97Å |
| 174 | F | 76 | Confident | 66.1 | Low | 17 Ų | 17 | 50.5 Ų | 50.5 | 8% | 0.075 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 128.7 | 176.7 | -169.6 | -84.7 | 0 | 0 | 0 | 110.3 | V122 C123 I133 L135 S161 L176 | V122-F174 CarbonylContact C-O 3.55Å; V122-F174 WeakPolarHBondContact CA-O 3.25Å; C123-F174 PolarHBondContact N-O 2.97Å; C123-F174 PolarHBondContact O-N 3.47Å; I133-F174 HydrophobicContact CB-CB 4.07Å; I133-F174 HydrophobicContact CD1-CB 4.17Å; I133-F174 HydrophobicContact CG2-CB 3.58Å; I133-F174 HydrophobicContact CG2-CD2 4.42Å; I133-F174 HydrophobicContact CG2-CG 4.07Å; L135-F174 HydrophobicContact CB-CE1 4.34Å; L135-F174 HydrophobicContact CD1-CD1 3.44Å; L135-F174 VanDerWaalsContact CD1-CD1 3.44Å; L135-F174 HydrophobicContact CD1-CE1 3.2Å; L135-F174 HydrophobicContact CD1-CZ 4.26Å; L135-F174 HydrophobicContact CD2-CD1 4.4Å; L135-F174 HydrophobicContact CG-CD1 3.63Å; L135-F174 HydrophobicContact CG-CE1 3.52Å; L135-F174 HydrophobicContact CG-CG 4.45Å; L135-F174 HydrophobicContact CG-CZ 4.27Å; S161-F174 WeakPolarHBondContact OG-CE2 3.34Å; F174-L176 HydrophobicContact CE1-CB 3.86Å |
| 175 | R | 69.3 | Low | 67.4 | Low | 78 Ų | 78 | 44.8 Ų | 44.8 | 29% | 0.294 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 123.7 | 175.2 | -171 | 175.8 | -172.2 | 146.7 | 9 | 111.1 | E100 G103 S120 I121 V122 | E100-R175 PolarHBondContact O-NH2 3.14Å; G103-R175 PolarHBondContact O-NH2 3.03Å; S120-R175 PolarHBondContact OG-NE 3.38Å; S120-R175 VanDerWaalsContact OG-NE 3.08Å; S120-R175 PolarHBondContact OG-NH2 3.2Å; I121-R175 CarbonylContact O-C 3.39Å; I121-R175 VanDerWaalsContact O-CA 3.27Å; I121-R175 WeakPolarHBondContact O-CA 3.44Å; V122-R175 HydrophobicContact CG2-CG 4.29Å |
| 176 | L | 70.9 | Confident | 68.9 | Low | 11 Ų | 11 | 44 Ų | 44 | 6% | 0.058 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 112.8 | 176 | 179.2 | 66.2 | 0 | 0 | 0 | 111.3 | S120 I121 L135 L154 F174 V178 Y186 | S120-L176 CarbonylContact C-O 3.55Å; S120-L176 WeakPolarHBondContact CA-O 3.37Å; I121-L176 HydrophobicContact CB-CB 4.37Å; I121-L176 HydrophobicContact CD1-CB 4.47Å; I121-L176 HydrophobicContact CD1-CD2 4.03Å; I121-L176 HydrophobicContact CD1-CG 4.47Å; I121-L176 PolarHBondContact N-O 2.89Å; I121-L176 PolarHBondContact O-N 3.38Å; L135-L176 HydrophobicContact CD1-CB 4.21Å; L135-L176 HydrophobicContact CD1-CD2 4.18Å; L154-L176 HydrophobicContact CD2-CD1 3.68Å; F174-L176 HydrophobicContact CE1-CB 3.86Å; L176-V178 HydrophobicContact CD2-CG1 4Å; L176-V178 HydrophobicContact CG-CG1 3.9Å; L176-Y186 HydrophobicContact CD2-CE1 4.42Å |
| 177 | P | 66.8 | Low | 70.2 | Confident | 87 Ų | 87 | 42 Ų | 42 | 57% | 0.565 | 21% | 0.212 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 133.7 | 169.6 | 27.9 | -33.5 | 0 | 0 | 0 | 110.6 | Y119 | Y119-P177 CarbonylContact O-C 3.41Å; Y119-P177 WeakPolarHBondContact O-CA 3.08Å |
| 178 | V | 70.7 | Confident | 72.2 | Confident | 20 Ų | 20 | 35.5 Ų | 35.5 | 12% | 0.121 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 151.8 | -179.5 | -66.1 | 0 | 0 | 0 | 0 | 111.7 | Y118 Y119 I121 L176 | Y118-V178 WeakPolarHBondContact CA-O 3.44Å; Y119-V178 PolarHBondContact N-O 3.18Å; Y119-V178 PolarHBondContact O-N 2.89Å; Y119-V178 VanDerWaalsContact O-O 3.1Å; I121-V178 HydrophobicContact CD1-CB 4.28Å; I121-V178 HydrophobicContact CD1-CG1 3.41Å; I121-V178 VanDerWaalsContact CD1-CG1 3.41Å; I121-V178 HydrophobicContact CD1-CG2 3.91Å; I121-V178 HydrophobicContact CG1-CG1 4.39Å; I121-V178 HydrophobicContact CG1-CG2 4.1Å; L176-V178 HydrophobicContact CD2-CG1 4Å; L176-V178 HydrophobicContact CG-CG1 3.9Å |
| 179 | I | 68.8 | Low | 73.6 | Confident | 64 Ų | 64 | 35.2 Ų | 35.2 | 33% | 0.328 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 127.4 | 171.6 | -56.9 | 173.4 | 0 | 0 | 0 | 107.6 | N117 Y118 K181 | N117-I179 WeakPolarHBondContact O-CA 3.39Å; Y118-I179 HydrophobicContact CD1-CD1 4.16Å; Y118-I179 HydrophobicContact CD1-CG1 3.59Å; Y118-I179 HydrophobicContact CE1-CD1 3.5Å; Y118-I179 HydrophobicContact CE1-CG1 3.48Å; Y118-I179 VanDerWaalsContact CE1-CG1 3.48Å; Y118-I179 HydrophobicContact CG-CG1 4.3Å; I179-K181 VanDerWaalsContact C-N 3.34Å; I179-K181 HydrophobicContact CB-CG 4.32Å; I179-K181 HydrophobicContact CG2-CG 3.97Å; I179-K181 PolarHBondContact O-N 3.13Å |
| 180 | A | 76.4 | Confident | 74.9 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 2% | 0.017 | 16% | 0.16 | C | C | . | . | trans | -68.1 | 87.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L113 Q114 R116 N117 Y119 V213 | L113-A180 HydrophobicContact CB-CB 3.66Å; L113-A180 HydrophobicContact CD1-CB 4.1Å; Q114-A180 VanDerWaalsContact O-CB 3.26Å; Q114-A180 WeakPolarHBondContact O-CB 3.47Å; R116-A180 PolarHBondContact N-O 2.77Å; N117-A180 PolarHBondContact O-N 2.81Å; Y119-A180 HydrophobicContact CD2-CB 3.82Å; Y119-A180 HydrophobicContact CE2-CB 3.68Å; A180-V213 HydrophobicContact CB-CG2 4.02Å | ||
| 181 | K | 69.4 | Low | 75.3 | Confident | 136 Ų | 136 | 32.4 Ų | 32.4 | 59% | 0.591 | 16% | 0.16 | S | C | * | . | trans | -102.1 | -38.6 | 179.9 | -68.4 | -177.9 | -179.9 | 178.3 | 0 | 112.9 | I179 | I179-K181 VanDerWaalsContact C-N 3.34Å; I179-K181 HydrophobicContact CB-CG 4.32Å; I179-K181 HydrophobicContact CG2-CG 3.97Å; I179-K181 PolarHBondContact O-N 3.13Å | ||
| 182 | Q | 72 | Confident | 75 | Confident | 104 Ų | 104 | 32.5 Ų | 32.5 | 49% | 0.486 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -148.9 | 145.6 | -174.9 | -174.1 | 174.3 | -3.9 | 0 | 0 | 110.6 | F211 V213 | Q182-F211 VanDerWaalsContact O-CE2 3.22Å; Q182-F211 WeakPolarHBondContact O-CE2 3.23Å; Q182-V213 WeakPolarHBondContact O-CG2 3Å |
| 183 | T | 77.2 | Confident | 74.2 | Confident | 20 Ų | 20 | 34.4 Ų | 34.4 | 12% | 0.123 | 19% | 0.186 | C | C | . | . | trans | -58.2 | 143.4 | 172.7 | -63.5 | 0 | 0 | 0 | 0 | 111.9 | R139 L141 F211 V212 V213 | R139-T183 CarbonylContact C-O 3.57Å; L141-T183 HydrophobicContact CD1-CG2 3.78Å; L141-T183 HydrophobicContact CD2-CG2 4.06Å; L141-T183 HydrophobicContact CG-CG2 3.73Å; T183-F211 WeakPolarHBondContact CG2-O 3.46Å; T183-V212 HydrophobicContact CG2-CB 4.41Å; T183-V212 HydrophobicContact CG2-CG1 4.27Å; T183-V212 HydrophobicContact CG2-CG2 4.36Å; T183-V213 PolarHBondContact OG1-N 3.38Å | ||
| 184 | G | 78.7 | Confident | 73.1 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.9 | -166.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R138 F211 | R138-G184 CarbonylContact O-C 3.59Å; R138-G184 WeakPolarHBondContact O-CA 3.25Å; G184-F211 PolarHBondContact N-O 2.76Å; G184-F211 VanDerWaalsContact O-CD1 3.23Å; G184-F211 WeakPolarHBondContact O-CD1 3.47Å; G184-F211 WeakPolarHBondContact O-CE1 3.49Å; G184-F211 PolarHBondContact O-N 2.68Å |
| 185 | S | 79.4 | Confident | 71.5 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 146.3 | 174.2 | -44.3 | 0 | 0 | 0 | 0 | 109.9 | S137 R138 C140 I209 D210 | S137-S185 WeakPolarHBondContact CA-O 3.44Å; R138-S185 PolarHBondContact N-O 3.4Å; R138-S185 PolarHBondContact NE-OG 3.07Å; R138-S185 PolarHBondContact NH2-OG 3.35Å; R138-S185 PolarHBondContact O-N 2.85Å; C140-S185 PolarHBondContact O-OG 2.98Å; S185-I209 CarbonylContact C-O 3.32Å; S185-I209 VanDerWaalsContact CA-O 3.32Å; S185-I209 WeakPolarHBondContact CA-O 3.37Å; S185-D210 WeakPolarHBondContact CB-OD1 3.5Å; S185-D210 PolarHBondContact OG-OD1 3.35Å |
| 186 | Y | 79.9 | Confident | 70.1 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 12% | 0.122 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 147.2 | 160.8 | -68.3 | -84.8 | 0 | 0 | 0 | 109.4 | I121 Y136 S137 L176 I208 I209 F211 | I121-Y186 HydrophobicContact CD1-CD1 3.71Å; I121-Y186 HydrophobicContact CD1-CD2 3.35Å; I121-Y186 HydrophobicContact CD1-CE1 3.49Å; I121-Y186 VanDerWaalsContact CD1-CE1 3.49Å; I121-Y186 HydrophobicContact CD1-CE2 3.14Å; I121-Y186 HydrophobicContact CD1-CG 3.65Å; I121-Y186 HydrophobicContact CG1-CD2 3.83Å; I121-Y186 HydrophobicContact CG1-CE2 3.95Å; I121-Y186 HydrophobicContact CG1-CG 4.27Å; Y136-Y186 CarbonylContact O-C 3.41Å; Y136-Y186 VanDerWaalsContact O-CA 3.3Å; Y136-Y186 WeakPolarHBondContact O-CA 3.11Å; S137-Y186 VanDerWaalsContact CB-CE1 3.45Å; L176-Y186 HydrophobicContact CD2-CE1 4.42Å; Y186-I208 CarbonylContact O-C 3.57Å; Y186-I208 WeakPolarHBondContact O-CA 3.41Å; Y186-I209 PolarHBondContact N-O 2.7Å; Y186-I209 PolarHBondContact O-N 2.81Å; Y186-F211 AromaticContact CD2-CD1 3.93Å; Y186-F211 HydrophobicContact CD2-CD1 3.93Å; Y186-F211 AromaticContact CD2-CE1 3.28Å; Y186-F211 HydrophobicContact CD2-CE1 3.28Å; Y186-F211 HydrophobicContact CD2-CZ 4.08Å; Y186-F211 HydrophobicContact CE2-CD1 4.08Å; Y186-F211 AromaticContact CE2-CE1 3.17Å; Y186-F211 HydrophobicContact CE2-CE1 3.17Å; Y186-F211 AromaticContact CE2-CZ 3.47Å; Y186-F211 HydrophobicContact CE2-CZ 3.47Å; Y186-F211 VanDerWaalsContact CE2-CZ 3.47Å; Y186-F211 HydrophobicContact CG-CE1 4.46Å |
| 187 | I | 78.7 | Confident | 68.9 | Low | 20 Ų | 20 | 57.2 Ų | 57.2 | 10% | 0.103 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 125.9 | 165.4 | -175.4 | 173.3 | 0 | 0 | 0 | 107.1 | L135 Y136 W148 Y206 K207 I208 | L135-I187 WeakPolarHBondContact CA-O 3.41Å; Y136-I187 VanDerWaalsContact CB-CG2 3.4Å; Y136-I187 HydrophobicContact CD2-CG2 3.8Å; Y136-I187 HydrophobicContact CG-CG2 3.98Å; Y136-I187 PolarHBondContact N-O 2.79Å; Y136-I187 PolarHBondContact O-N 2.96Å; W148-I187 HydrophobicContact CD2-CG2 3.96Å; W148-I187 HydrophobicContact CE3-CB 4.09Å; W148-I187 HydrophobicContact CE3-CG2 3.48Å; W148-I187 VanDerWaalsContact CE3-CG2 3.48Å; W148-I187 HydrophobicContact CH2-CB 3.61Å; W148-I187 HydrophobicContact CH2-CG2 3.98Å; W148-I187 HydrophobicContact CZ2-CB 4.09Å; W148-I187 HydrophobicContact CZ2-CD1 4.43Å; W148-I187 HydrophobicContact CZ2-CG2 4.4Å; W148-I187 HydrophobicContact CZ3-CB 3.6Å; W148-I187 HydrophobicContact CZ3-CG2 3.49Å; W148-I187 VanDerWaalsContact CZ3-CG2 3.49Å; I187-Y206 HydrophobicContact CD1-CD2 3.74Å; I187-Y206 HydrophobicContact CD1-CG 4.02Å; I187-Y206 HydrophobicContact CG1-CD2 4.12Å; I187-Y206 HydrophobicContact CG1-CG 4.42Å; I187-K207 WeakPolarHBondContact CA-O 3.27Å; I187-I208 HydrophobicContact CG1-CG1 4.44Å |
| 188 | C | 82.7 | Confident | 67.6 | Low | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 125.5 | 163.2 | 179 | 0 | 0 | 0 | 0 | 108.8 | I93 A96 C123 L135 Y206 K207 | I93-C188 HydrophobicContact CD1-CB 4.4Å; I93-C188 WeakPolarHBondContact CD1-O 3.23Å; A96-C188 HydrophobicContact CB-CB 4.32Å; C123-C188 HydrophobicContact CB-CB 3.64Å; C123-C188 WeakPolarHBondContact CB-SG 3.36Å; C123-C188 WeakPolarHBondContact SG-CB 3.49Å; C123-C188 CovalentContact SG-SG 1.99Å; C123-C188 PolarHBondContact SG-SG 3.31Å; L135-C188 HydrophobicContact CD2-CB 3.8Å; C188-Y206 CarbonylContact O-C 3.47Å; C188-Y206 WeakPolarHBondContact O-CA 3.36Å; C188-Y206 VanDerWaalsContact O-CB 3.27Å; C188-Y206 WeakPolarHBondContact O-CB 3.47Å; C188-K207 PolarHBondContact N-O 3.31Å; C188-K207 PolarHBondContact O-N 3.27Å |
| 189 | L | 81.3 | Confident | 65.9 | Low | 16 Ų | 16 | 67.1 Ų | 67.1 | 8% | 0.084 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132 | 174.7 | -176 | 88.8 | 0 | 0 | 0 | 108.5 | I133 Q134 Y136 N191 Q204 | I133-L189 CarbonylContact C-O 3.38Å; I133-L189 WeakPolarHBondContact CA-O 3.37Å; Q134-L189 HydrophobicContact CB-CB 4.33Å; Q134-L189 HydrophobicContact CB-CD2 4.32Å; Q134-L189 PolarHBondContact N-O 3.32Å; Q134-L189 PolarHBondContact O-N 2.95Å; Y136-L189 HydrophobicContact CE2-CB 4.4Å; Y136-L189 HydrophobicContact CE2-CD2 4.17Å; L189-N191 WeakPolarHBondContact CD2-ND2 3.22Å; L189-N191 WeakPolarHBondContact CD2-OD1 3.33Å; L189-Q204 HydrophobicContact CD1-CB 4.19Å |
| 190 | A | 82.5 | Confident | 64.5 | Low | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 118.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | P91 I93 A125 P131 E132 E205 | P91-A190 HydrophobicContact CB-CB 3.9Å; P91-A190 WeakPolarHBondContact CG-O 3.18Å; I93-A190 HydrophobicContact CD1-CB 4.24Å; I93-A190 HydrophobicContact CG1-CB 3.83Å; A125-A190 HydrophobicContact CB-CB 3.54Å; P131-A190 HydrophobicContact CB-CB 4.26Å; E132-A190 WeakPolarHBondContact O-CA 3.49Å; A190-E205 PolarHBondContact N-O 2.72Å; A190-E205 PolarHBondContact O-N 3.33Å |
| 191 | N | 76.9 | Confident | 62.4 | Low | 27 Ų | 27 | 77.4 Ų | 77.4 | 14% | 0.144 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 141.7 | -179 | -65.9 | -37.8 | 0 | 0 | 0 | 111.2 | P131 E132 Q134 L189 Q204 | P131-N191 CarbonylContact C-O 3.57Å; P131-N191 WeakPolarHBondContact CA-O 3.39Å; E132-N191 HydrophobicContact CB-CB 4.43Å; E132-N191 PolarHBondContact N-O 3.43Å; E132-N191 PolarHBondContact O-N 2.64Å; Q134-N191 PolarHBondContact OE1-ND2 2.9Å; L189-N191 WeakPolarHBondContact CD2-ND2 3.22Å; L189-N191 WeakPolarHBondContact CD2-OD1 3.33Å; N191-Q204 PolarHBondContact OD1-NE2 2.98Å |
| 192 | G | 67.8 | Low | 61.3 | Low | 34 Ų | 34 | 80.3 Ų | 80.3 | 35% | 0.351 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 126.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N194 | G192-N194 PolarHBondContact O-N 3.5Å; G192-N194 VanDerWaalsContact O-N 3.1Å |
| 193 | A | 58.9 | Low | 60.4 | Low | 43 Ų | 43 | 77.3 Ų | 77.3 | 36% | 0.355 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -4 | -161.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | P129 L130 | P129-A193 HydrophobicContact CB-CB 4.19Å; P129-A193 HydrophobicContact CG-CB 4.26Å; L130-A193 WeakPolarHBondContact O-CB 3.44Å |
| 194 | N | 49.9 | Very low | 59.8 | Low | 146 Ų | 146 | 80 Ų | 80 | 78% | 0.781 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -159.1 | 24.5 | -173.3 | -95.1 | -37 | 0 | 0 | 0 | 119.1 | P129 G192 | P129-N194 HydrophobicContact CG-CB 4.43Å; G192-N194 PolarHBondContact O-N 3.5Å; G192-N194 VanDerWaalsContact O-N 3.1Å |
| 195 | E | 43.8 | Very low | 59.6 | Low | 144 Ų | 144 | 82.7 Ų | 82.7 | 67% | 0.673 | 41% | 0.411 | S | S | * | . | trans | -81.5 | 126.7 | 170.9 | -77.3 | -168.5 | 167.1 | 0 | 0 | 112.3 | ||||
| 196 | K | 40.4 | Very low | 59.7 | Low | 191 Ų | 191 | 89.3 Ų | 89.3 | 83% | 0.83 | 44% | 0.437 | S | S | * | . | trans | -48.9 | 145.4 | 174.7 | -75.6 | -179.4 | 179.4 | 176.5 | 0 | 111.1 | K198 | K196-K198 PolarHBondContact O-N 3.39Š| ||
| 197 | P | 44 | Very low | 59.8 | Low | 115 Ų | 115 | 91.7 Ų | 91.7 | 75% | 0.747 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | 30.1 | -155.3 | 31.9 | -38.7 | 0 | 0 | 0 | 116.3 | V200 | P197-V200 HydrophobicContact CB-CG2 4.33Š|
| 198 | K | 39.3 | Very low | 59.8 | Low | 194 Ų | 194 | 93.6 Ų | 93.6 | 84% | 0.843 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -22.3 | 177.9 | -76.1 | -167.7 | 173.9 | -175.8 | 0 | 114.7 | K196 | K196-K198 PolarHBondContact O-N 3.39Š|
| 199 | N | 35.6 | Very low | 59.6 | Low | 121 Ų | 121 | 94.1 Ų | 94.1 | 65% | 0.647 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -126.4 | 27.2 | -176.4 | -71.1 | -15.2 | 0 | 0 | 0 | 114.7 | W201 K202 | N199-W201 PolarHBondContact O-N 2.91Å; N199-K202 PolarHBondContact O-N 2.83Å |
| 200 | V | 39.2 | Very low | 59.3 | Low | 64 Ų | 64 | 96.1 Ų | 96.1 | 39% | 0.388 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -54.3 | -28.4 | -172.1 | -179.8 | 0 | 0 | 0 | 0 | 114.8 | P197 K202 | P197-V200 HydrophobicContact CB-CG2 4.33Å; V200-K202 PolarHBondContact O-N 3.47Å |
| 201 | W | 33.3 | Very low | 59.2 | Low | 219 Ų | 219 | 96.8 Ų | 96.8 | 83% | 0.83 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -84.3 | -3 | -169.7 | -58.6 | 103.9 | 0 | 0 | 0 | 115.9 | N199 | N199-W201 PolarHBondContact O-N 2.91Š|
| 202 | K | 46.4 | Very low | 59.2 | Low | 196 Ų | 196 | 95.8 Ų | 95.8 | 85% | 0.852 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -99.4 | -7.8 | -177.4 | -80.7 | -171.4 | 176.3 | -177 | 0 | 115.5 | N199 V200 | N199-K202 PolarHBondContact O-N 2.83Å; V200-K202 PolarHBondContact O-N 3.47Å |
| 203 | T | 52.7 | Low | 59.8 | Low | 41 Ų | 41 | 94.1 Ų | 94.1 | 25% | 0.252 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -124.9 | 23.7 | -169.6 | 51.4 | 0 | 0 | 0 | 0 | 114.2 | P91 | P91-T203 WeakPolarHBondContact CD-O 3.35Å; P91-T203 WeakPolarHBondContact CG-O 3.35Å |
| 204 | Q | 64.4 | Low | 61 | Low | 76 Ų | 76 | 92.1 Ų | 92.1 | 36% | 0.355 | 44% | 0.435 | S | S | . | . | trans | -95 | 121.4 | 175 | -65.4 | -175.3 | -31.9 | 0 | 0 | 110.3 | L189 N191 | L189-Q204 HydrophobicContact CD1-CB 4.19Å; N191-Q204 PolarHBondContact OD1-NE2 2.98Å | ||
| 205 | E | 75 | Confident | 62.6 | Low | 58 Ų | 58 | 87.8 Ų | 87.8 | 27% | 0.271 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 139.6 | 165.2 | -169.8 | 168.1 | 141.1 | 0 | 0 | 109.5 | I92 I93 A190 | I92-E205 WeakPolarHBondContact CA-OE2 3.49Å; I93-E205 WeakPolarHBondContact CA-OE1 3.38Å; I93-E205 HydrophobicContact CB-CG 4.25Å; I93-E205 WeakPolarHBondContact CB-OE1 3.29Å; I93-E205 HydrophobicContact CD1-CB 4.42Å; I93-E205 HydrophobicContact CD1-CG 4.14Å; I93-E205 WeakPolarHBondContact CD1-O 3.31Å; I93-E205 HydrophobicContact CG1-CB 4.19Å; I93-E205 HydrophobicContact CG1-CG 3.93Å; I93-E205 PolarHBondContact N-OE1 3.31Å; A190-E205 PolarHBondContact N-O 2.72Å; A190-E205 PolarHBondContact O-N 3.33Å |
| 206 | Y | 81.6 | Confident | 64.6 | Low | 140 Ų | 140 | 80.9 Ų | 80.9 | 55% | 0.549 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 151.3 | 175.5 | 69.3 | -87.3 | 0 | 0 | 0 | 112.7 | I93 I187 C188 I208 | I93-Y206 VanDerWaalsContact CD1-CA 3.45Å; I187-Y206 HydrophobicContact CD1-CD2 3.74Å; I187-Y206 HydrophobicContact CD1-CG 4.02Å; I187-Y206 HydrophobicContact CG1-CD2 4.12Å; I187-Y206 HydrophobicContact CG1-CG 4.42Å; C188-Y206 CarbonylContact O-C 3.47Å; C188-Y206 WeakPolarHBondContact O-CA 3.36Å; C188-Y206 VanDerWaalsContact O-CB 3.27Å; C188-Y206 WeakPolarHBondContact O-CB 3.47Å; Y206-I208 HydrophobicContact CD2-CG1 4.35Å; Y206-I208 HydrophobicContact CE2-CD1 4.45Å; Y206-I208 HydrophobicContact CE2-CG1 4.44Å |
| 207 | K | 81.3 | Confident | 66.2 | Low | 81 Ų | 81 | 73.9 Ų | 73.9 | 35% | 0.352 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 135.7 | 169.4 | -79.6 | -170 | 178.2 | 160.5 | 0 | 110.3 | I93 A96 I187 C188 | I93-K207 HydrophobicContact CB-CD 4.29Å; I93-K207 HydrophobicContact CB-CG 4.32Å; I93-K207 HydrophobicContact CD1-CB 4.36Å; I93-K207 HydrophobicContact CD1-CG 4.4Å; I93-K207 HydrophobicContact CG2-CB 4.32Å; I93-K207 HydrophobicContact CG2-CD 3.67Å; I93-K207 HydrophobicContact CG2-CG 3.99Å; I93-K207 PolarHBondContact O-NZ 3.43Å; A96-K207 HydrophobicContact CB-CB 3.56Å; A96-K207 HydrophobicContact CB-CD 3.86Å; A96-K207 HydrophobicContact CB-CG 4.3Å; I187-K207 WeakPolarHBondContact CA-O 3.27Å; C188-K207 PolarHBondContact N-O 3.31Å; C188-K207 PolarHBondContact O-N 3.27Å |
| 208 | I | 78.3 | Confident | 67.5 | Low | 59 Ų | 59 | 73.5 Ų | 73.5 | 30% | 0.303 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 134.1 | 174.6 | -59.7 | 174.6 | 0 | 0 | 0 | 108.8 | W148 Y186 I187 Y206 D210 | W148-I208 HydrophobicContact CH2-CG1 4.45Å; W148-I208 HydrophobicContact CH2-CG2 4.32Å; W148-I208 HydrophobicContact CZ2-CD1 4.25Å; W148-I208 HydrophobicContact CZ2-CG1 4.39Å; Y186-I208 CarbonylContact O-C 3.57Å; Y186-I208 WeakPolarHBondContact O-CA 3.41Å; I187-I208 HydrophobicContact CG1-CG1 4.44Å; Y206-I208 HydrophobicContact CD2-CG1 4.35Å; Y206-I208 HydrophobicContact CE2-CD1 4.45Å; Y206-I208 HydrophobicContact CE2-CG1 4.44Å; I208-D210 WeakPolarHBondContact CG2-OD1 3.49Å |
| 209 | I | 79.5 | Confident | 68.8 | Low | 11 Ų | 11 | 64.3 Ų | 64.3 | 6% | 0.056 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 98.8 | 177.2 | -52.3 | 168.1 | 0 | 0 | 0 | 107 | A96 I98 I121 S185 Y186 | A96-I209 HydrophobicContact CB-CD1 4.02Å; A96-I209 HydrophobicContact CB-CG1 4.04Å; I98-I209 HydrophobicContact CD1-CG2 4.12Å; I98-I209 HydrophobicContact CG1-CG2 3.57Å; I121-I209 HydrophobicContact CG2-CD1 3.59Å; S185-I209 CarbonylContact C-O 3.32Å; S185-I209 VanDerWaalsContact CA-O 3.32Å; S185-I209 WeakPolarHBondContact CA-O 3.37Å; Y186-I209 PolarHBondContact N-O 2.7Å; Y186-I209 PolarHBondContact O-N 2.81Å |
| 210 | D | 74.8 | Confident | 70.1 | Confident | 58 Ų | 58 | 63 Ų | 63 | 31% | 0.31 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 139.9 | 177.1 | -72.9 | -30.3 | 0 | 0 | 0 | 111.7 | L141 S185 I208 | L141-D210 HydrophobicContact CD2-CB 4.17Å; S185-D210 WeakPolarHBondContact CB-OD1 3.5Å; S185-D210 PolarHBondContact OG-OD1 3.35Å; I208-D210 WeakPolarHBondContact CG2-OD1 3.49Å |
| 211 | F | 79.3 | Confident | 71.2 | Confident | 15 Ų | 15 | 68.8 Ų | 68.8 | 7% | 0.066 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 150.5 | 175.7 | 67.1 | -81.7 | 0 | 0 | 0 | 112.3 | I98 R111 L113 Q182 T183 G184 Y186 V213 | I98-F211 HydrophobicContact CD1-CB 3.45Å; I98-F211 VanDerWaalsContact CD1-CB 3.45Å; I98-F211 HydrophobicContact CD1-CD1 3.9Å; I98-F211 HydrophobicContact CD1-CG 3.71Å; R111-F211 CarbonylContact O-C 3.44Å; L113-F211 HydrophobicContact CD1-CB 3.93Å; L113-F211 HydrophobicContact CD1-CD2 3.43Å; L113-F211 VanDerWaalsContact CD1-CD2 3.43Å; L113-F211 HydrophobicContact CD1-CE2 4.21Å; L113-F211 HydrophobicContact CD1-CG 3.87Å; L113-F211 HydrophobicContact CG-CB 4.07Å; L113-F211 HydrophobicContact CG-CD2 4.21Å; Q182-F211 VanDerWaalsContact O-CE2 3.22Å; Q182-F211 WeakPolarHBondContact O-CE2 3.23Å; T183-F211 WeakPolarHBondContact CG2-O 3.46Å; G184-F211 PolarHBondContact N-O 2.76Å; G184-F211 VanDerWaalsContact O-CD1 3.23Å; G184-F211 WeakPolarHBondContact O-CD1 3.47Å; G184-F211 WeakPolarHBondContact O-CE1 3.49Å; G184-F211 PolarHBondContact O-N 2.68Å; Y186-F211 AromaticContact CD2-CD1 3.93Å; Y186-F211 HydrophobicContact CD2-CD1 3.93Å; Y186-F211 AromaticContact CD2-CE1 3.28Å; Y186-F211 HydrophobicContact CD2-CE1 3.28Å; Y186-F211 HydrophobicContact CD2-CZ 4.08Å; Y186-F211 HydrophobicContact CE2-CD1 4.08Å; Y186-F211 AromaticContact CE2-CE1 3.17Å; Y186-F211 HydrophobicContact CE2-CE1 3.17Å; Y186-F211 AromaticContact CE2-CZ 3.47Å; Y186-F211 HydrophobicContact CE2-CZ 3.47Å; Y186-F211 VanDerWaalsContact CE2-CZ 3.47Å; Y186-F211 HydrophobicContact CG-CE1 4.46Å; F211-V213 HydrophobicContact CD2-CG2 4.29Å; F211-V213 HydrophobicContact CE2-CG2 4.32Å |
| 212 | V | 78.4 | Confident | 72.8 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.03 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 116 | -169.7 | -172.2 | 0 | 0 | 0 | 0 | 107.2 | R111 F112 L113 L141 T183 Q257 | R111-V212 HydrophobicContact CB-CG2 4.36Å; R111-V212 WeakPolarHBondContact O-CA 3.4Å; R111-V212 WeakPolarHBondContact O-CB 3.21Å; R111-V212 WeakPolarHBondContact O-CG2 3.49Å; R111-V212 PolarHBondContact O-N 2.92Å; F112-V212 CarbonylContact C-O 3.52Å; F112-V212 VanDerWaalsContact CA-O 3.28Å; F112-V212 WeakPolarHBondContact CA-O 3.42Å; F112-V212 HydrophobicContact CD1-CB 4.03Å; F112-V212 HydrophobicContact CD1-CG1 4.22Å; F112-V212 HydrophobicContact CE1-CB 4.23Å; F112-V212 HydrophobicContact CE1-CG1 4.24Å; L113-V212 PolarHBondContact N-O 3.02Å; L141-V212 HydrophobicContact CD1-CG2 3.94Å; T183-V212 HydrophobicContact CG2-CB 4.41Å; T183-V212 HydrophobicContact CG2-CG1 4.27Å; T183-V212 HydrophobicContact CG2-CG2 4.36Å; V212-Q257 HydrophobicContact CG1-CG 3.67Å |
| 213 | V | 79.8 | Confident | 74 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 133.2 | 177 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | L113 H115 A180 Q182 T183 F211 Q257 F298 | L113-V213 HydrophobicContact CB-CG2 4.46Å; L113-V213 WeakPolarHBondContact O-CA 3.37Å; H115-V213 HydrophobicContact CB-CG1 3.85Å; A180-V213 HydrophobicContact CB-CG2 4.02Å; Q182-V213 WeakPolarHBondContact O-CG2 3Å; T183-V213 PolarHBondContact OG1-N 3.38Å; F211-V213 HydrophobicContact CD2-CG2 4.29Å; F211-V213 HydrophobicContact CE2-CG2 4.32Å; V213-Q257 PolarHBondContact O-NE2 3.28Å; V213-F298 HydrophobicContact CB-CD1 4.36Å; V213-F298 HydrophobicContact CB-CE1 4.41Å; V213-F298 HydrophobicContact CG1-CD1 4.07Å; V213-F298 HydrophobicContact CG1-CE1 3.96Å; V213-F298 HydrophobicContact CG1-CZ 4.48Å |
| 214 | T | 85 | Confident | 75.3 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 149.9 | -176.8 | -169.6 | 0 | 0 | 0 | 0 | 112.1 | F112 L113 Q114 H115 V216 A219 Q257 | F112-T214 HydrophobicContact CB-CG2 4.16Å; F112-T214 HydrophobicContact CD1-CG2 4.43Å; L113-T214 PolarHBondContact O-N 2.95Å; Q114-T214 PolarHBondContact NE2-O 3.27Å; H115-T214 PolarHBondContact N-O 2.87Å; T214-V216 WeakPolarHBondContact OG1-CG2 3.34Å; T214-V216 PolarHBondContact OG1-N 2.93Å; T214-A219 HydrophobicContact CG2-CB 3.12Å; T214-Q257 PolarHBondContact OG1-OE1 3.42Å |
| 215 | D | 82.4 | Confident | 76.2 | Confident | 55 Ų | 55 | 49.8 Ų | 49.8 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | trans | -101.1 | 2.6 | 170.5 | 60.5 | -16.1 | 0 | 0 | 0 | 112.3 | F298 S299 | D215-F298 HydrophobicContact CB-CD2 4.43Å; D215-S299 WeakPolarHBondContact OD1-CB 3.35Å; D215-S299 PolarHBondContact OD1-N 2.95Å; D215-S299 PolarHBondContact OD1-OG 3.24Å | ||
| 216 | V | 85.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -63.3 | 123.6 | 172.8 | -179.5 | 0 | 0 | 0 | 0 | 109.2 | Q114 T214 Q218 A219 G224 N226 M255 S299 | Q114-V216 PolarHBondContact OE1-O 2.83Å; T214-V216 WeakPolarHBondContact OG1-CG2 3.34Å; T214-V216 PolarHBondContact OG1-N 2.93Å; V216-Q218 PolarHBondContact O-N 2.76Å; V216-A219 HydrophobicContact CB-CB 4.4Å; V216-A219 WeakPolarHBondContact O-CB 3.22Å; V216-A219 PolarHBondContact O-N 3.14Å; V216-G224 WeakPolarHBondContact CG2-O 3.45Å; V216-N226 HydrophobicContact CG1-CB 3.67Å; V216-M255 HydrophobicContact CG1-CB 4.21Å; V216-M255 HydrophobicContact CG2-CB 4.04Å; V216-S299 VanDerWaalsContact CG2-CB 3.41Å |
| 217 | P | 73.7 | Confident | 77.1 | Confident | 43 Ų | 43 | 42.1 Ų | 42.1 | 28% | 0.279 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 138.2 | -180 | 25.1 | -32.9 | 0 | 0 | 0 | 111 | A219 N226 M255 | P217-A219 VanDerWaalsContact C-N 3.28Å; P217-A219 PolarHBondContact O-N 3.4Å; P217-N226 PolarHBondContact O-ND2 3.45Å; P217-M255 HydrophobicContact CG-SD 4.49Å |
| 218 | Q | 72.1 | Confident | 77.4 | Confident | 107 Ų | 107 | 44.6 Ų | 44.6 | 50% | 0.5 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 35.5 | -176.7 | -53 | -178.2 | 10.8 | 0 | 0 | 113 | V216 E220 R221 F222 | V216-Q218 PolarHBondContact O-N 2.76Å; Q218-E220 VanDerWaalsContact C-N 3.27Å; Q218-E220 PolarHBondContact O-N 3.22Å; Q218-R221 HydrophobicContact CB-CB 4.4Å; Q218-R221 PolarHBondContact O-N 3.48Å; Q218-R221 VanDerWaalsContact O-N 3.13Å; Q218-F222 HydrophobicContact CB-CD2 3.73Å; Q218-F222 HydrophobicContact CB-CE2 3.79Å; Q218-F222 HydrophobicContact CG-CE2 4.46Å; Q218-F222 WeakPolarHBondContact O-CD2 3.26Å; Q218-F222 PolarHBondContact O-N 2.68Å |
| 219 | A | 66.5 | Low | 77.8 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 2% | 0.017 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.7 | -32.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | F112 T214 V216 P217 R221 F222 K223 G224 | F112-A219 HydrophobicContact CB-CB 3.99Å; T214-A219 HydrophobicContact CG2-CB 3.12Å; V216-A219 HydrophobicContact CB-CB 4.4Å; V216-A219 WeakPolarHBondContact O-CB 3.22Å; V216-A219 PolarHBondContact O-N 3.14Å; P217-A219 VanDerWaalsContact C-N 3.28Å; P217-A219 PolarHBondContact O-N 3.4Å; A219-R221 VanDerWaalsContact C-N 3.32Å; A219-R221 PolarHBondContact O-N 3.43Å; A219-F222 CarbonylContact O-C 3.39Å; A219-F222 PolarHBondContact O-N 3.37Å; A219-K223 WeakPolarHBondContact O-CA 3.36Å; A219-K223 PolarHBondContact O-N 3.18Å; A219-G224 PolarHBondContact O-N 3.22Å |
| 220 | E | 62.8 | Low | 78.1 | Confident | 92 Ų | 92 | 45.7 Ų | 45.7 | 43% | 0.43 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.1 | -45.5 | 174.8 | -67.9 | 166.2 | -171.9 | 0 | 0 | 110.6 | F112 Y119 Q218 | F112-E220 WeakPolarHBondContact O-CG 3.3Å; Y119-E220 PolarHBondContact OH-OE1 3.31Å; Q218-E220 VanDerWaalsContact C-N 3.27Å; Q218-E220 PolarHBondContact O-N 3.22Å |
| 221 | R | 62.8 | Low | 78.4 | Confident | 186 Ų | 186 | 46.2 Ų | 46.2 | 70% | 0.702 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -70.2 | -33.6 | 177.6 | -169.7 | 179.6 | 178.4 | 169.4 | 4.3 | 112.9 | Q218 A219 | Q218-R221 HydrophobicContact CB-CB 4.4Å; Q218-R221 PolarHBondContact O-N 3.48Å; Q218-R221 VanDerWaalsContact O-N 3.13Å; A219-R221 VanDerWaalsContact C-N 3.32Å; A219-R221 PolarHBondContact O-N 3.43Å |
| 222 | F | 66.1 | Low | 78.2 | Confident | 26 Ų | 26 | 50.6 Ų | 50.6 | 11% | 0.114 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -118.1 | 16.9 | -166.3 | -56.5 | -44.1 | 0 | 0 | 0 | 115.4 | Q218 A219 G224 F225 N226 R332 | Q218-F222 HydrophobicContact CB-CD2 3.73Å; Q218-F222 HydrophobicContact CB-CE2 3.79Å; Q218-F222 HydrophobicContact CG-CE2 4.46Å; Q218-F222 WeakPolarHBondContact O-CD2 3.26Å; Q218-F222 PolarHBondContact O-N 2.68Å; A219-F222 CarbonylContact O-C 3.39Å; A219-F222 PolarHBondContact O-N 3.37Å; F222-G224 PolarHBondContact O-N 3.27Å; F222-F225 VanDerWaalsContact CB-O 3.32Å; F222-F225 WeakPolarHBondContact CB-O 3.43Å; F222-F225 PolarHBondContact O-N 2.89Å; F222-N226 HydrophobicContact CD2-CB 3.94Å; F222-N226 VanDerWaalsContact CD2-CG 3.4Å; F222-N226 VanDerWaalsContact CD2-ND2 3.35Å; F222-N226 WeakPolarHBondContact CD2-ND2 3.49Å; F222-N226 WeakPolarHBondContact CE2-ND2 3.39Å; F222-R332 VanDerWaalsContact CD1-NH1 3.28Å |
| 223 | K | 72.7 | Confident | 77.6 | Confident | 107 Ų | 107 | 51.5 Ų | 51.5 | 47% | 0.465 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 38.4 | -177.9 | -60.7 | -172 | 176.7 | -171.7 | 0 | 112.8 | F112 A219 F225 Y261 | F112-K223 HydrophobicContact CD2-CB 4.17Å; F112-K223 VanDerWaalsContact CE2-C 3.48Å; F112-K223 VanDerWaalsContact CE2-CA 3.46Å; F112-K223 HydrophobicContact CE2-CB 3.65Å; F112-K223 HydrophobicContact CE2-CG 4.28Å; F112-K223 WeakPolarHBondContact CE2-O 3.25Å; F112-K223 HydrophobicContact CZ-CB 4.28Å; F112-K223 WeakPolarHBondContact CZ-O 3.42Å; A219-K223 WeakPolarHBondContact O-CA 3.36Å; A219-K223 PolarHBondContact O-N 3.18Å; K223-F225 VanDerWaalsContact C-N 3.32Å; K223-F225 PolarHBondContact O-N 3Å; K223-Y261 PolarHBondContact O-OH 3.31Å; K223-Y261 VanDerWaalsContact O-OH 3.06Å |
| 224 | G | 78.6 | Confident | 76.3 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 30 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V216 A219 F222 Y256 Q257 | V216-G224 WeakPolarHBondContact CG2-O 3.45Å; A219-G224 PolarHBondContact O-N 3.22Å; F222-G224 PolarHBondContact O-N 3.27Å; G224-Y256 CarbonylContact O-C 3.49Å; G224-Y256 WeakPolarHBondContact O-CA 3.33Å; G224-Q257 PolarHBondContact O-N 3.17Å |
| 225 | F | 83.9 | Confident | 74.8 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 105.9 | 176.9 | -170.3 | -83 | 0 | 0 | 0 | 112.1 | F222 K223 C254 M255 Y256 Y261 V264 C319 V330 R332 | F222-F225 VanDerWaalsContact CB-O 3.32Å; F222-F225 WeakPolarHBondContact CB-O 3.43Å; F222-F225 PolarHBondContact O-N 2.89Å; K223-F225 VanDerWaalsContact C-N 3.32Å; K223-F225 PolarHBondContact O-N 3Å; F225-C254 VanDerWaalsContact CZ-SG 3.5Å; F225-M255 WeakPolarHBondContact CA-O 3.17Å; F225-Y256 HydrophobicContact CD2-CG 4.44Å; F225-Y256 HydrophobicContact CE2-CG 4.46Å; F225-Y261 HydrophobicContact CB-CE1 4.46Å; F225-Y261 HydrophobicContact CB-CE2 3.71Å; F225-Y261 HydrophobicContact CD2-CD1 4.12Å; F225-Y261 AromaticContact CD2-CD2 3.99Å; F225-Y261 HydrophobicContact CD2-CD2 3.99Å; F225-Y261 HydrophobicContact CD2-CE1 4.04Å; F225-Y261 AromaticContact CD2-CE2 3.89Å; F225-Y261 HydrophobicContact CD2-CE2 3.89Å; F225-Y261 HydrophobicContact CD2-CG 4.1Å; F225-Y261 AromaticContact CD2-CZ 3.92Å; F225-Y261 HydrophobicContact CG-CE1 4.48Å; F225-Y261 HydrophobicContact CG-CE2 4.26Å; F225-V264 HydrophobicContact CE2-CG1 4.25Å; F225-V264 HydrophobicContact CE2-CG2 3.92Å; F225-V264 HydrophobicContact CZ-CG1 4.31Å; F225-C319 HydrophobicContact CE1-CB 4.28Å; F225-C319 WeakPolarHBondContact CE1-O 3.43Å; F225-C319 HydrophobicContact CZ-CB 4.22Å; F225-C319 VanDerWaalsContact CZ-SG 3.51Å; F225-V330 HydrophobicContact CB-CG1 4.44Å; F225-V330 HydrophobicContact CD1-CG1 3.87Å; F225-V330 HydrophobicContact CE1-CG1 4.39Å; F225-V330 HydrophobicContact CG-CG1 4.19Å; F225-R332 HydrophobicContact CD1-CB 4.3Å; F225-R332 HydrophobicContact CD1-CG 3.5Å; F225-R332 VanDerWaalsContact CD1-CG 3.5Å; F225-R332 HydrophobicContact CE1-CB 4.05Å; F225-R332 HydrophobicContact CE1-CG 3.75Å; F225-R332 PolarHBondContact O-NE 2.9Å |
| 226 | N | 87.2 | Confident | 72.9 | Confident | 24 Ų | 24 | 66.6 Ų | 66.6 | 13% | 0.128 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 160.4 | -172.5 | -161.5 | 6.8 | 0 | 0 | 0 | 113.3 | V216 P217 F222 C254 M255 | V216-N226 HydrophobicContact CG1-CB 3.67Å; P217-N226 PolarHBondContact O-ND2 3.45Å; F222-N226 HydrophobicContact CD2-CB 3.94Å; F222-N226 VanDerWaalsContact CD2-CG 3.4Å; F222-N226 VanDerWaalsContact CD2-ND2 3.35Å; F222-N226 WeakPolarHBondContact CD2-ND2 3.49Å; F222-N226 WeakPolarHBondContact CE2-ND2 3.39Å; N226-C254 CarbonylContact O-C 3.5Å; N226-M255 PolarHBondContact N-O 3.18Å; N226-M255 PolarHBondContact O-N 3.41Å; N226-M255 VanDerWaalsContact O-O 3.1Å |
| 227 | I | 88.9 | Confident | 71 | Confident | 14 Ų | 14 | 72.1 Ų | 72.1 | 7% | 0.072 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 134.5 | 175.4 | -60.3 | 168.9 | 0 | 0 | 0 | 109.8 | L252 S253 W266 C319 R332 Y334 | I227-L252 HydrophobicContact CG2-CB 4.38Å; I227-L252 HydrophobicContact CG2-CD2 4.46Å; I227-S253 CarbonylContact C-O 3.35Å; I227-S253 WeakPolarHBondContact CA-O 3.31Å; I227-W266 HydrophobicContact CD1-CH2 3.9Å; I227-W266 HydrophobicContact CD1-CZ3 3.89Å; I227-W266 HydrophobicContact CG1-CH2 3.94Å; I227-W266 HydrophobicContact CG1-CZ3 4.43Å; I227-W266 HydrophobicContact CG2-CH2 3.79Å; I227-C319 HydrophobicContact CD1-CB 3.82Å; I227-C319 HydrophobicContact CG1-CB 3.97Å; I227-R332 HydrophobicContact CD1-CB 3.74Å; I227-R332 HydrophobicContact CG1-CB 4Å; I227-Y334 HydrophobicContact CB-CD2 4.38Å; I227-Y334 HydrophobicContact CG2-CD2 3.84Å; I227-Y334 HydrophobicContact CG2-CG 3.98Å |
| 228 | R | 86.4 | Confident | 69.7 | Low | 132 Ų | 132 | 79.7 Ų | 79.7 | 50% | 0.498 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 130.4 | 177.5 | -177.9 | 178.3 | 179.9 | -179 | 2 | 111.3 | S253 M255 | R228-S253 PolarHBondContact N-O 3.14Å; R228-S253 PolarHBondContact O-N 3.43Å; R228-M255 HydrophobicContact CB-SD 4.22Å |
| 229 | L | 88.4 | Confident | 68.3 | Low | 28 Ų | 28 | 82.4 Ų | 82.4 | 15% | 0.147 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 135.2 | 170.8 | 178.6 | 69.5 | 0 | 0 | 0 | 111 | V244 I250 A251 L252 Y334 | L229-V244 HydrophobicContact CD1-CG2 4.29Å; L229-V244 HydrophobicContact CD2-CG2 3.74Å; L229-I250 HydrophobicContact CD1-CB 3.97Å; L229-I250 HydrophobicContact CD1-CD1 4Å; L229-I250 HydrophobicContact CD1-CG1 4.4Å; L229-I250 HydrophobicContact CD1-CG2 4.4Å; L229-A251 CarbonylContact C-O 3.51Å; L229-L252 HydrophobicContact CB-CD2 4.2Å; L229-L252 HydrophobicContact CD1-CD2 3.66Å; L229-Y334 HydrophobicContact CB-CE2 4.33Å; L229-Y334 WeakPolarHBondContact CD2-OH 3.3Å |
| 230 | R | 85.8 | Confident | 67.2 | Low | 66 Ų | 66 | 86.6 Ų | 86.6 | 25% | 0.249 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 140.3 | 169.2 | -56.9 | -178.1 | -174.4 | 170 | 6.1 | 109.1 | F232 I250 A251 S253 E294 | R230-F232 HydrophobicContact CB-CZ 4.44Å; R230-I250 CarbonylContact O-C 3.57Å; R230-I250 VanDerWaalsContact O-CA 3.26Å; R230-I250 WeakPolarHBondContact O-CA 3.45Å; R230-A251 HydrophobicContact CB-CB 4.24Å; R230-A251 PolarHBondContact N-O 3.23Å; R230-A251 PolarHBondContact O-N 3.01Å; R230-S253 VanDerWaalsContact CZ-OG 3.32Å; R230-S253 PolarHBondContact NE-OG 2.92Å; R230-S253 VanDerWaalsContact NE-OG 3.15Å; R230-E294 IonicContact CZ-OE2 3.22Å; R230-E294 VanDerWaalsContact CZ-OE2 3.26Å; R230-E294 VanDerWaalsContact NH1-CD 3.25Å; R230-E294 IonicContact NH1-OE1 2.96Å; R230-E294 PolarHBondContact NH1-OE1 2.85Å; R230-E294 IonicContact NH1-OE2 3Å; R230-E294 PolarHBondContact NH1-OE2 2.87Å; R230-E294 IonicContact NH2-OE2 2.9Å; R230-E294 PolarHBondContact NH2-OE2 3.3Å |
| 231 | K | 79.6 | Confident | 66.5 | Low | 68 Ų | 68 | 91 Ų | 91 | 30% | 0.296 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 134.7 | 179.7 | -175.9 | 176.5 | -177.1 | 167.6 | 0 | 109.5 | T233 T243 D248 I250 | K231-T233 WeakPolarHBondContact CE-OG1 3.21Å; K231-T243 PolarHBondContact NZ-O 3.11Å; K231-D248 WeakPolarHBondContact CE-OD2 3.35Å; K231-D248 IonicContact NZ-OD1 2.61Å; K231-D248 IonicContact NZ-OD2 3.24Å; K231-D248 PolarHBondContact NZ-OD2 2.65Å; K231-I250 HydrophobicContact CG-CG2 4.48Å |
| 232 | F | 75.8 | Confident | 66.5 | Low | 108 Ų | 108 | 84 Ų | 84 | 47% | 0.474 | 41% | 0.405 | S | S | . | . | trans | -111.1 | 12.6 | -174.7 | -60.5 | -78.2 | 0 | 0 | 0 | 114 | R230 T249 A251 | R230-F232 HydrophobicContact CB-CZ 4.44Å; F232-T249 HydrophobicContact CB-CG2 4.39Å; F232-T249 HydrophobicContact CD2-CG2 4.18Å; F232-T249 PolarHBondContact N-O 3.29Å; F232-A251 HydrophobicContact CE2-CB 3.57Å; F232-A251 HydrophobicContact CZ-CB 4.17Å | ||
| 233 | T | 65 | Low | 67 | Low | 23 Ų | 23 | 83.2 Ų | 83.2 | 14% | 0.141 | 40% | 0.402 | C | S | . | . | trans | -72.3 | 134.9 | 179.6 | -30.3 | 0 | 0 | 0 | 0 | 110.9 | K231 E235 D248 | K231-T233 WeakPolarHBondContact CE-OG1 3.21Å; T233-E235 PolarHBondContact O-N 3.13Å; T233-D248 PolarHBondContact OG1-OD1 3.3Å | ||
| 234 | P | 53.4 | Low | 67.7 | Low | 123 Ų | 123 | 78.3 Ų | 78.3 | 80% | 0.799 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -66.6 | -13.7 | -176.9 | 21.9 | -32.3 | 0 | 0 | 0 | 115.3 | L236 | P234-L236 PolarHBondContact O-N 2.82Š|
| 235 | E | 54 | Low | 68.1 | Low | 118 Ų | 118 | 79 Ų | 79 | 55% | 0.551 | 38% | 0.384 | S | S | * | . | trans | -76.9 | 66.3 | 176.3 | -67.4 | 156.1 | -162.6 | 0 | 0 | 110.8 | T233 T237 R421 | T233-E235 PolarHBondContact O-N 3.13Å; E235-T237 VanDerWaalsContact C-N 3.35Å; E235-T237 PolarHBondContact O-N 2.96Å; E235-T237 VanDerWaalsContact O-N 3.13Å; E235-R421 IonicContact OE2-CZ 3.84Å; E235-R421 IonicContact OE2-NE 3.4Å; E235-R421 IonicContact OE2-NH2 3.96Å | ||
| 236 | L | 42.9 | Very low | 68.2 | Low | 131 Ų | 131 | 81.8 Ų | 81.8 | 69% | 0.686 | 40% | 0.397 | S | S | * | . | trans | -80.9 | 80 | 171.4 | -106.7 | 110.4 | 0 | 0 | 0 | 109.9 | P234 | P234-L236 PolarHBondContact O-N 2.82Š| ||
| 237 | T | 45.3 | Very low | 68.1 | Low | 117 Ų | 117 | 88.1 Ų | 88.1 | 72% | 0.718 | 42% | 0.423 | S | S | * | . | trans | -74.4 | 132.9 | 149 | 46.6 | 0 | 0 | 0 | 0 | 107.2 | E235 E239 | E235-T237 VanDerWaalsContact C-N 3.35Å; E235-T237 PolarHBondContact O-N 2.96Å; E235-T237 VanDerWaalsContact O-N 3.13Å; T237-E239 PolarHBondContact O-N 2.76Å | ||
| 238 | K | 45.9 | Very low | 68.1 | Low | 202 Ų | 202 | 87.5 Ų | 87.5 | 88% | 0.878 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -55.1 | 1.4 | -176.8 | -79.2 | -179.3 | 173.9 | 179.1 | 0 | 116 | ||
| 239 | E | 43.2 | Very low | 68.2 | Low | 163 Ų | 163 | 82.6 Ų | 82.6 | 76% | 0.762 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -118.3 | 126.1 | -172.5 | -64.8 | -178.6 | 174.6 | 0 | 0 | 110.3 | T237 | T237-E239 PolarHBondContact O-N 2.76Š|
| 240 | N | 43.5 | Very low | 68.3 | Low | 91 Ų | 91 | 81.3 Ų | 81.3 | 49% | 0.487 | 40% | 0.398 | S | S | . | . | trans | 80.4 | 83.3 | 171 | -65.1 | -3.5 | 0 | 0 | 0 | 119 | A242 T501 | N240-A242 VanDerWaalsContact C-N 3.27Å; N240-A242 PolarHBondContact O-N 2.83Å; N240-T501 HydrophobicContact CB-CG2 4.46Å; N240-T501 PolarHBondContact ND2-OG1 3.33Å | ||
| 241 | Y | 48 | Very low | 68.5 | Low | 185 Ų | 185 | 78.1 Ų | 78.1 | 73% | 0.725 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -69.7 | -5.3 | 167.3 | -75.5 | -81.3 | 0 | 0 | 0 | 115.7 | ||
| 242 | A | 62.1 | Low | 69.1 | Low | 37 Ų | 37 | 74.9 Ų | 74.9 | 31% | 0.306 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -99.7 | -29.6 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | N240 P500 T501 | N240-A242 VanDerWaalsContact C-N 3.27Å; N240-A242 PolarHBondContact O-N 2.83Å; A242-P500 HydrophobicContact CB-CG 4.42Å; A242-T501 HydrophobicContact CB-CG2 3.39Å |
| 243 | T | 77 | Confident | 69.8 | Low | 11 Ų | 11 | 69.8 Ų | 69.8 | 7% | 0.067 | 35% | 0.35 | C | S | . | . | trans | -90.7 | 116.8 | -169.3 | -26.7 | 0 | 0 | 0 | 0 | 111.7 | K231 F245 Q339 F372 | K231-T243 PolarHBondContact NZ-O 3.11Å; T243-F245 HydrophobicContact CG2-CE2 4.32Å; T243-F245 HydrophobicContact CG2-CZ 4.07Å; T243-F245 WeakPolarHBondContact O-CE2 3.43Å; T243-Q339 HydrophobicContact CG2-CG 4.17Å; T243-Q339 VanDerWaalsContact CG2-NE2 3.27Å; T243-F372 HydrophobicContact CG2-CZ 4.44Å | ||
| 244 | V | 87 | Confident | 71.1 | Confident | 3 Ų | 3 | 68.7 Ų | 68.7 | 2% | 0.018 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 128.6 | 178.1 | -178.3 | 0 | 0 | 0 | 0 | 109.5 | L229 D248 I250 V309 L336 V338 Q339 | L229-V244 HydrophobicContact CD1-CG2 4.29Å; L229-V244 HydrophobicContact CD2-CG2 3.74Å; V244-D248 HydrophobicContact CG1-CB 4.37Å; V244-I250 HydrophobicContact CG1-CD1 4.05Å; V244-I250 HydrophobicContact CG1-CG2 3.72Å; V244-I250 HydrophobicContact CG2-CD1 4.25Å; V244-I250 HydrophobicContact CG2-CG2 4.01Å; V244-V309 HydrophobicContact CG1-CB 4.32Å; V244-V309 HydrophobicContact CG1-CG1 4.01Å; V244-V309 HydrophobicContact CG1-CG2 4.27Å; V244-L336 HydrophobicContact CB-CD1 4.18Å; V244-L336 HydrophobicContact CG1-CD1 4.35Å; V244-L336 HydrophobicContact CG2-CD1 3.83Å; V244-V338 HydrophobicContact CG1-CG2 4.4Å; V244-V338 CarbonylContact O-C 3.58Å; V244-V338 WeakPolarHBondContact O-CA 3.35Å; V244-Q339 PolarHBondContact O-N 3.3Å |
| 245 | F | 87.2 | Confident | 73 | Confident | 14 Ų | 14 | 63.5 Ų | 63.5 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 161.8 | 177.1 | -57.1 | -96.1 | 0 | 0 | 0 | 112.2 | T243 D248 Q339 P341 F372 P373 R421 | T243-F245 HydrophobicContact CG2-CE2 4.32Å; T243-F245 HydrophobicContact CG2-CZ 4.07Å; T243-F245 WeakPolarHBondContact O-CE2 3.43Å; F245-D248 WeakPolarHBondContact CA-OD2 3.46Å; F245-D248 WeakPolarHBondContact CB-OD2 3.41Å; F245-D248 PolarHBondContact N-OD2 3.32Å; F245-D248 VanDerWaalsContact O-CB 3.23Å; F245-D248 WeakPolarHBondContact O-CB 3.36Å; F245-D248 PolarHBondContact O-N 3.32Å; F245-D248 VanDerWaalsContact O-N 3.11Å; F245-Q339 CarbonylContact C-O 3.58Å; F245-Q339 WeakPolarHBondContact CA-O 3.32Å; F245-Q339 WeakPolarHBondContact CB-O 3.45Å; F245-Q339 HydrophobicContact CD1-CB 4.23Å; F245-Q339 HydrophobicContact CE1-CB 4.48Å; F245-P341 HydrophobicContact CD1-CB 4.04Å; F245-F372 HydrophobicContact CD1-CE1 4.1Å; F245-F372 HydrophobicContact CE1-CD1 4.02Å; F245-F372 AromaticContact CE1-CE1 3.35Å; F245-F372 HydrophobicContact CE1-CE1 3.35Å; F245-F372 AromaticContact CE1-CZ 3.8Å; F245-F372 HydrophobicContact CE1-CZ 3.8Å; F245-F372 HydrophobicContact CZ-CE1 4.22Å; F245-F372 HydrophobicContact CZ-CZ 4.23Å; F245-P373 HydrophobicContact CE1-CB 3.97Å; F245-P373 VanDerWaalsContact CE1-CD 3.48Å; F245-P373 HydrophobicContact CE1-CG 3.66Å; F245-P373 HydrophobicContact CE2-CG 4.31Å; F245-P373 HydrophobicContact CZ-CB 3.65Å; F245-P373 HydrophobicContact CZ-CG 3.53Å; F245-R421 VanDerWaalsContact CG-NH1 3.28Å |
| 246 | E | 86.5 | Confident | 74.7 | Confident | 60 Ų | 60 | 58.5 Ų | 58.5 | 28% | 0.28 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | 139.5 | 171 | -173 | 173.4 | -175.8 | 0 | 0 | 111.2 | D248 V309 P311 Q339 R340 | E246-D248 PolarHBondContact O-N 3.33Å; E246-V309 CarbonylContact C-O 3.51Å; E246-V309 VanDerWaalsContact CA-O 3.3Å; E246-V309 WeakPolarHBondContact CA-O 3.44Å; E246-P311 HydrophobicContact CB-CG 4.48Å; E246-P311 HydrophobicContact CG-CG 4.46Å; E246-Q339 PolarHBondContact N-O 3.15Å; E246-R340 WeakPolarHBondContact OE2-CD 3.06Å; E246-R340 VanDerWaalsContact OE2-CG 3.27Å; E246-R340 WeakPolarHBondContact OE2-CG 3.43Å; E246-R340 IonicContact OE2-NE 2.7Å; E246-R340 PolarHBondContact OE2-NE 3.36Å |
| 247 | K | 85.2 | Confident | 76.8 | Confident | 156 Ų | 156 | 52.3 Ų | 52.3 | 68% | 0.678 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | -5.5 | -173.9 | -49.7 | 179.8 | -177.8 | 174 | 0 | 116.2 | V309 | K247-V309 PolarHBondContact N-O 2.91Š|
| 248 | D | 87.3 | Confident | 78.6 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | trans | -61 | 156.4 | 172.7 | -74 | -26.1 | 0 | 0 | 0 | 110.7 | K231 T233 V244 F245 E246 I250 H308 V309 R421 | K231-D248 WeakPolarHBondContact CE-OD2 3.35Å; K231-D248 IonicContact NZ-OD1 2.61Å; K231-D248 IonicContact NZ-OD2 3.24Å; K231-D248 PolarHBondContact NZ-OD2 2.65Å; T233-D248 PolarHBondContact OG1-OD1 3.3Å; V244-D248 HydrophobicContact CG1-CB 4.37Å; F245-D248 WeakPolarHBondContact CA-OD2 3.46Å; F245-D248 WeakPolarHBondContact CB-OD2 3.41Å; F245-D248 PolarHBondContact N-OD2 3.32Å; F245-D248 VanDerWaalsContact O-CB 3.23Å; F245-D248 WeakPolarHBondContact O-CB 3.36Å; F245-D248 PolarHBondContact O-N 3.32Å; F245-D248 VanDerWaalsContact O-N 3.11Å; E246-D248 PolarHBondContact O-N 3.33Å; D248-I250 HydrophobicContact CB-CG2 4.36Å; D248-H308 WeakPolarHBondContact O-CA 3.49Å; D248-H308 PolarHBondContact O-N 2.81Å; D248-V309 WeakPolarHBondContact O-CG2 3.48Å; D248-V309 PolarHBondContact O-N 3.32Å; D248-R421 IonicContact OD1-CZ 3.96Å; D248-R421 IonicContact OD1-NH1 3.35Å; D248-R421 PolarHBondContact OD1-NH1 3.32Å; D248-R421 IonicContact OD1-NH2 3.03Å; D248-R421 PolarHBondContact OD1-NH2 3.21Å; D248-R421 IonicContact OD2-NH1 3.58Å; D248-R421 PolarHBondContact OD2-NH1 3.33Å; D248-R421 VanDerWaalsContact OD2-NH1 3.13Å | ||
| 249 | T | 88.7 | Confident | 80 | Confident | 30 Ų | 30 | 47.3 Ų | 47.3 | 18% | 0.184 | 22% | 0.216 | C | C | . | . | trans | -110.6 | 123.8 | 167.5 | -64.5 | 0 | 0 | 0 | 0 | 108 | F232 F307 | F232-T249 HydrophobicContact CB-CG2 4.39Å; F232-T249 HydrophobicContact CD2-CG2 4.18Å; F232-T249 PolarHBondContact N-O 3.29Å; T249-F307 HydrophobicContact CG2-CD1 3.51Å; T249-F307 HydrophobicContact CG2-CE1 3.92Å; T249-F307 HydrophobicContact CG2-CG 4.37Å | ||
| 250 | I | 90.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 162.5 | -176.3 | 71.4 | 177.3 | 0 | 0 | 0 | 111.2 | L229 R230 K231 V244 D248 H305 I306 V309 L336 | L229-I250 HydrophobicContact CD1-CB 3.97Å; L229-I250 HydrophobicContact CD1-CD1 4Å; L229-I250 HydrophobicContact CD1-CG1 4.4Å; L229-I250 HydrophobicContact CD1-CG2 4.4Å; R230-I250 CarbonylContact O-C 3.57Å; R230-I250 VanDerWaalsContact O-CA 3.26Å; R230-I250 WeakPolarHBondContact O-CA 3.45Å; K231-I250 HydrophobicContact CG-CG2 4.48Å; V244-I250 HydrophobicContact CG1-CD1 4.05Å; V244-I250 HydrophobicContact CG1-CG2 3.72Å; V244-I250 HydrophobicContact CG2-CD1 4.25Å; V244-I250 HydrophobicContact CG2-CG2 4.01Å; D248-I250 HydrophobicContact CB-CG2 4.36Å; I250-H305 WeakPolarHBondContact O-CA 2.98Å; I250-I306 HydrophobicContact CD1-CB 4.47Å; I250-I306 HydrophobicContact CD1-CD1 4.25Å; I250-I306 HydrophobicContact CG1-CB 3.91Å; I250-I306 HydrophobicContact CG1-CD1 4.46Å; I250-I306 HydrophobicContact CG1-CG1 4.43Å; I250-I306 PolarHBondContact N-O 2.95Å; I250-I306 PolarHBondContact O-N 2.86Å; I250-V309 HydrophobicContact CB-CG2 4.45Å; I250-V309 HydrophobicContact CD1-CG2 3.88Å; I250-V309 HydrophobicContact CG1-CG2 3.69Å; I250-V309 HydrophobicContact CG2-CG2 4.21Å; I250-L336 HydrophobicContact CD1-CD1 3.48Å; I250-L336 VanDerWaalsContact CD1-CD1 3.48Å; I250-L336 HydrophobicContact CD1-CD2 3.74Å; I250-L336 HydrophobicContact CD1-CG 4.28Å |
| 251 | A | 90.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 130 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L229 R230 F232 V303 L304 | L229-A251 CarbonylContact C-O 3.51Å; R230-A251 HydrophobicContact CB-CB 4.24Å; R230-A251 PolarHBondContact N-O 3.23Å; R230-A251 PolarHBondContact O-N 3.01Å; F232-A251 HydrophobicContact CE2-CB 3.57Å; F232-A251 HydrophobicContact CZ-CB 4.17Å; A251-V303 HydrophobicContact CB-CG1 3.5Å; A251-V303 VanDerWaalsContact CB-CG1 3.5Å; A251-L304 CarbonylContact C-O 3.59Å; A251-L304 VanDerWaalsContact CA-O 3.29Å; A251-L304 WeakPolarHBondContact CA-O 3.47Å |
| 252 | L | 92.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 110.1 | 163.7 | -62.6 | 176.8 | 0 | 0 | 0 | 107.9 | I227 L229 W266 V303 L304 Y317 Y334 | I227-L252 HydrophobicContact CG2-CB 4.38Å; I227-L252 HydrophobicContact CG2-CD2 4.46Å; L229-L252 HydrophobicContact CB-CD2 4.2Å; L229-L252 HydrophobicContact CD1-CD2 3.66Å; L252-W266 HydrophobicContact CB-CH2 3.74Å; L252-W266 HydrophobicContact CB-CZ2 3.98Å; L252-W266 VanDerWaalsContact O-CZ2 3.27Å; L252-W266 WeakPolarHBondContact O-CZ2 3.37Å; L252-V303 CarbonylContact O-C 3.56Å; L252-V303 WeakPolarHBondContact O-CA 3.48Å; L252-L304 HydrophobicContact CB-CB 4.31Å; L252-L304 HydrophobicContact CD1-CD2 4.41Å; L252-L304 PolarHBondContact N-O 3.46Å; L252-L304 PolarHBondContact O-N 2.88Å; L252-Y317 HydrophobicContact CD1-CD1 4.18Å; L252-Y317 HydrophobicContact CD1-CD2 4.04Å; L252-Y317 HydrophobicContact CD1-CG 3.76Å; L252-Y334 HydrophobicContact CD1-CD1 4.25Å; L252-Y334 HydrophobicContact CD2-CD1 3.58Å; L252-Y334 HydrophobicContact CD2-CE1 3.73Å; L252-Y334 HydrophobicContact CD2-CG 4.02Å |
| 253 | S | 91.2 | Very high | 85.9 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 107.2 | 176.9 | -65.6 | 0 | 0 | 0 | 0 | 109.3 | I227 R228 R230 M255 S301 | I227-S253 CarbonylContact C-O 3.35Å; I227-S253 WeakPolarHBondContact CA-O 3.31Å; R228-S253 PolarHBondContact N-O 3.14Å; R228-S253 PolarHBondContact O-N 3.43Å; R230-S253 VanDerWaalsContact CZ-OG 3.32Å; R230-S253 PolarHBondContact NE-OG 2.92Å; R230-S253 VanDerWaalsContact NE-OG 3.15Å; S253-M255 PolarHBondContact O-N 3.32Å; S253-S301 WeakPolarHBondContact CB-OG 3.27Å |
| 254 | C | 92.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 102.9 | 167.2 | -177.7 | 0 | 0 | 0 | 0 | 107.5 | F225 N226 Y256 V264 W266 S301 E302 C319 | F225-C254 VanDerWaalsContact CZ-SG 3.5Å; N226-C254 CarbonylContact O-C 3.5Å; C254-Y256 WeakPolarHBondContact O-CD1 3.26Å; C254-V264 HydrophobicContact CB-CG1 4.49Å; C254-W266 HydrophobicContact CB-CH2 4.02Å; C254-W266 HydrophobicContact CB-CZ2 3.4Å; C254-S301 VanDerWaalsContact C-OG 3.26Å; C254-S301 PolarHBondContact N-OG 3.46Å; C254-S301 CarbonylContact O-C 3.57Å; C254-S301 WeakPolarHBondContact O-CA 3.32Å; C254-S301 PolarHBondContact O-OG 3.28Å; C254-E302 PolarHBondContact N-O 3.4Å; C254-E302 PolarHBondContact O-N 2.99Å; C254-C319 HydrophobicContact CB-CB 3.63Å; C254-C319 WeakPolarHBondContact CB-SG 3.45Å; C254-C319 WeakPolarHBondContact SG-CB 3.28Å; C254-C319 CovalentContact SG-SG 2.01Å; C254-C319 PolarHBondContact SG-SG 2.78Å |
| 255 | M | 92.2 | Very high | 86.3 | Confident | 14 Ų | 14 | 41.9 Ų | 41.9 | 7% | 0.069 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 130.6 | -178.6 | -59.4 | -176.1 | 67.3 | 0 | 0 | 109.2 | V216 P217 F225 N226 R228 S253 N300 | V216-M255 HydrophobicContact CG1-CB 4.21Å; V216-M255 HydrophobicContact CG2-CB 4.04Å; P217-M255 HydrophobicContact CG-SD 4.49Å; F225-M255 WeakPolarHBondContact CA-O 3.17Å; N226-M255 PolarHBondContact N-O 3.18Å; N226-M255 PolarHBondContact O-N 3.41Å; N226-M255 VanDerWaalsContact O-O 3.1Å; R228-M255 HydrophobicContact CB-SD 4.22Å; S253-M255 PolarHBondContact O-N 3.32Å; M255-N300 WeakPolarHBondContact CA-O 3.23Å |
| 256 | Y | 90.3 | Very high | 86.3 | Confident | 14 Ų | 14 | 41.7 Ų | 41.7 | 6% | 0.055 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 151.1 | -175.9 | 59.6 | -86 | 0 | 0 | 0 | 111.9 | G224 F225 C254 K258 Y261 V264 H293 S299 N300 E302 | G224-Y256 CarbonylContact O-C 3.49Å; G224-Y256 WeakPolarHBondContact O-CA 3.33Å; F225-Y256 HydrophobicContact CD2-CG 4.44Å; F225-Y256 HydrophobicContact CE2-CG 4.46Å; C254-Y256 WeakPolarHBondContact O-CD1 3.26Å; Y256-K258 PolarHBondContact O-N 3.36Å; Y256-Y261 HydrophobicContact CD2-CD2 4.5Å; Y256-V264 HydrophobicContact CD1-CB 4.23Å; Y256-V264 HydrophobicContact CD1-CG1 4.2Å; Y256-V264 HydrophobicContact CD1-CG2 3.58Å; Y256-V264 HydrophobicContact CD2-CG2 3.77Å; Y256-V264 HydrophobicContact CE1-CB 3.9Å; Y256-V264 HydrophobicContact CE1-CG1 4.15Å; Y256-V264 HydrophobicContact CE1-CG2 3.57Å; Y256-V264 HydrophobicContact CE2-CG2 3.71Å; Y256-V264 HydrophobicContact CG-CG2 3.67Å; Y256-H293 PolarHBondContact OH-CE1 3.06Å; Y256-S299 CarbonylContact O-C 3.45Å; Y256-S299 WeakPolarHBondContact O-CA 3.11Å; Y256-S299 WeakPolarHBondContact O-CB 3.4Å; Y256-N300 VanDerWaalsContact CD1-O 3.31Å; Y256-N300 WeakPolarHBondContact CD1-O 3.38Å; Y256-N300 HydrophobicContact CD2-CB 4.24Å; Y256-N300 HydrophobicContact CE1-CB 3.94Å; Y256-N300 HydrophobicContact CE2-CB 3.61Å; Y256-N300 VanDerWaalsContact CZ-CB 3.43Å; Y256-N300 PolarHBondContact N-O 3.3Å; Y256-N300 PolarHBondContact O-N 3.12Å; Y256-E302 HydrophobicContact CE1-CG 4.04Å |
| 257 | Q | 86.2 | Confident | 86.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 120.7 | 179.9 | -175.9 | 63 | 6.4 | 0 | 0 | 111.6 | F112 V212 V213 T214 G224 W259 Y260 Y261 F298 | F112-Q257 HydrophobicContact CE1-CB 4.02Å; F112-Q257 HydrophobicContact CE1-CG 4.06Å; V212-Q257 HydrophobicContact CG1-CG 3.67Å; V213-Q257 PolarHBondContact O-NE2 3.28Å; T214-Q257 PolarHBondContact OG1-OE1 3.42Å; G224-Q257 PolarHBondContact O-N 3.17Å; Q257-W259 PolarHBondContact O-N 2.88Å; Q257-W259 VanDerWaalsContact O-N 3.1Å; Q257-Y260 PolarHBondContact O-N 3.03Å; Q257-Y260 VanDerWaalsContact O-N 3.16Å; Q257-Y261 HydrophobicContact CB-CD2 4.38Å; Q257-Y261 HydrophobicContact CB-CE2 4.49Å; Q257-Y261 PolarHBondContact O-N 3.47Å; Q257-F298 PolarHBondContact NE2-O 3.27Å; Q257-F298 PolarHBondContact OE1-O 3.13Å; Q257-F298 VanDerWaalsContact OE1-O 3.08Å |
| 258 | K | 82.9 | Confident | 85.6 | Confident | 45 Ų | 45 | 33.7 Ų | 33.7 | 20% | 0.196 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -33.5 | -171.1 | 179.1 | 172.3 | -173.5 | 174.3 | 0 | 114.5 | Y256 E295 F298 N300 | Y256-K258 PolarHBondContact O-N 3.36Å; K258-E295 VanDerWaalsContact CE-OE1 3.25Å; K258-E295 WeakPolarHBondContact CE-OE1 3.48Å; K258-E295 IonicContact NZ-OE1 2.69Å; K258-E295 PolarHBondContact NZ-OE1 3.33Å; K258-F298 VanDerWaalsContact CB-O 3.26Å; K258-F298 WeakPolarHBondContact CB-O 3.43Å; K258-F298 PolarHBondContact N-O 2.63Å; K258-N300 WeakPolarHBondContact CD-OD1 3.35Å |
| 259 | W | 75.4 | Confident | 84.6 | Confident | 169 Ų | 169 | 37.3 Ų | 37.3 | 64% | 0.64 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | -4.9 | -173.2 | -42.3 | 107.6 | 0 | 0 | 0 | 114.1 | Q257 | Q257-W259 PolarHBondContact O-N 2.88Å; Q257-W259 VanDerWaalsContact O-N 3.1Å |
| 260 | Y | 76.2 | Confident | 83 | Confident | 45 Ų | 45 | 38.5 Ų | 38.5 | 18% | 0.176 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -27.9 | -173.9 | -166.7 | -96.2 | 0 | 0 | 0 | 112.5 | F112 Q257 E323 G324 | F112-Y260 HydrophobicContact CE1-CG 4.41Å; F112-Y260 HydrophobicContact CZ-CD1 4.08Å; F112-Y260 HydrophobicContact CZ-CD2 4.11Å; F112-Y260 HydrophobicContact CZ-CE1 4.26Å; F112-Y260 HydrophobicContact CZ-CE2 4.3Å; F112-Y260 HydrophobicContact CZ-CG 4Å; Q257-Y260 PolarHBondContact O-N 3.03Å; Q257-Y260 VanDerWaalsContact O-N 3.16Å; Y260-E323 HydrophobicContact CD1-CG 4.2Å; Y260-E323 HydrophobicContact CE1-CB 4.28Å; Y260-E323 VanDerWaalsContact CE1-CD 3.44Å; Y260-E323 HydrophobicContact CE1-CG 3.57Å; Y260-E323 WeakPolarHBondContact CE1-OE1 3.31Å; Y260-E323 WeakPolarHBondContact O-CA 3.28Å; Y260-E323 PolarHBondContact OH-OE2 3.03Å; Y260-G324 PolarHBondContact O-N 2.84Å |
| 261 | Y | 84 | Confident | 81 | Confident | 7 Ų | 7 | 41.4 Ų | 41.4 | 3% | 0.027 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 123.7 | -178.2 | -62.6 | -79 | 0 | 0 | 0 | 111.3 | K223 F225 Y256 Q257 T322 E323 V330 | K223-Y261 PolarHBondContact O-OH 3.31Å; K223-Y261 VanDerWaalsContact O-OH 3.06Å; F225-Y261 HydrophobicContact CB-CE1 4.46Å; F225-Y261 HydrophobicContact CB-CE2 3.71Å; F225-Y261 HydrophobicContact CD2-CD1 4.12Å; F225-Y261 AromaticContact CD2-CD2 3.99Å; F225-Y261 HydrophobicContact CD2-CD2 3.99Å; F225-Y261 HydrophobicContact CD2-CE1 4.04Å; F225-Y261 AromaticContact CD2-CE2 3.89Å; F225-Y261 HydrophobicContact CD2-CE2 3.89Å; F225-Y261 HydrophobicContact CD2-CG 4.1Å; F225-Y261 AromaticContact CD2-CZ 3.92Å; F225-Y261 HydrophobicContact CG-CE1 4.48Å; F225-Y261 HydrophobicContact CG-CE2 4.26Å; Y256-Y261 HydrophobicContact CD2-CD2 4.5Å; Q257-Y261 HydrophobicContact CB-CD2 4.38Å; Q257-Y261 HydrophobicContact CB-CE2 4.49Å; Q257-Y261 PolarHBondContact O-N 3.47Å; Y261-T322 CarbonylContact C-O 3.54Å; Y261-T322 WeakPolarHBondContact CA-O 3.25Å; Y261-E323 HydrophobicContact CD1-CG 4.11Å; Y261-E323 HydrophobicContact CE1-CG 3.69Å; Y261-V330 HydrophobicContact CE1-CB 4.15Å; Y261-V330 HydrophobicContact CE1-CG2 3.89Å |
| 262 | N | 81.2 | Confident | 78.7 | Confident | 124 Ų | 124 | 49.1 Ų | 49.1 | 66% | 0.663 | 24% | 0.236 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -29.8 | -176.5 | -78.1 | -1.6 | 0 | 0 | 0 | 113.6 | T322 G324 | N262-T322 PolarHBondContact N-O 2.73Å; N262-G324 WeakPolarHBondContact ND2-CA 3.32Å; N262-G324 WeakPolarHBondContact OD1-CA 3.26Å |
| 263 | S | 80.1 | Confident | 76.4 | Confident | 45 Ų | 45 | 56.7 Ų | 56.7 | 32% | 0.315 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 144.6 | -179.6 | 82.8 | 0 | 0 | 0 | 0 | 110.7 | G321 T322 | S263-G321 CarbonylContact O-C 3.55Å; S263-G321 WeakPolarHBondContact O-CA 3.31Å; S263-T322 PolarHBondContact O-N 3.17Å; S263-T322 PolarHBondContact OG-OG1 3.39Å |
| 264 | V | 86.8 | Confident | 74.2 | Confident | 20 Ų | 20 | 60.5 Ų | 60.5 | 12% | 0.121 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 136.2 | 178.7 | 179 | 0 | 0 | 0 | 0 | 109.5 | F225 C254 Y256 E302 C319 S320 | F225-V264 HydrophobicContact CE2-CG1 4.25Å; F225-V264 HydrophobicContact CE2-CG2 3.92Å; F225-V264 HydrophobicContact CZ-CG1 4.31Å; C254-V264 HydrophobicContact CB-CG1 4.49Å; Y256-V264 HydrophobicContact CD1-CB 4.23Å; Y256-V264 HydrophobicContact CD1-CG1 4.2Å; Y256-V264 HydrophobicContact CD1-CG2 3.58Å; Y256-V264 HydrophobicContact CD2-CG2 3.77Å; Y256-V264 HydrophobicContact CE1-CB 3.9Å; Y256-V264 HydrophobicContact CE1-CG1 4.15Å; Y256-V264 HydrophobicContact CE1-CG2 3.57Å; Y256-V264 HydrophobicContact CE2-CG2 3.71Å; Y256-V264 HydrophobicContact CG-CG2 3.67Å; V264-E302 HydrophobicContact CB-CG 3.89Å; V264-E302 HydrophobicContact CG1-CB 4.1Å; V264-E302 HydrophobicContact CG1-CG 3.9Å; V264-C319 WeakPolarHBondContact CG1-SG 3.38Å; V264-S320 CarbonylContact C-O 3.57Å; V264-S320 WeakPolarHBondContact CA-O 2.89Å |
| 265 | K | 85.4 | Confident | 71.8 | Confident | 135 Ų | 135 | 68.4 Ų | 68.4 | 59% | 0.587 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 137.3 | -175.9 | -61.1 | -179 | -176.8 | 172.2 | 0 | 110.6 | C319 S320 | K265-C319 CarbonylContact O-C 3.55Å; K265-C319 WeakPolarHBondContact O-CA 3.47Å; K265-S320 PolarHBondContact N-O 3.17Å; K265-S320 PolarHBondContact O-N 3.01Å; K265-S320 PolarHBondContact O-OG 2.96Å |
| 266 | W | 87.6 | Confident | 69.4 | Low | 11 Ų | 11 | 73 Ų | 73 | 4% | 0.042 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 145.7 | 167.8 | -76.9 | 103.4 | 0 | 0 | 0 | 110.8 | I227 L252 C254 F280 E302 L304 Y318 C319 | I227-W266 HydrophobicContact CD1-CH2 3.9Å; I227-W266 HydrophobicContact CD1-CZ3 3.89Å; I227-W266 HydrophobicContact CG1-CH2 3.94Å; I227-W266 HydrophobicContact CG1-CZ3 4.43Å; I227-W266 HydrophobicContact CG2-CH2 3.79Å; L252-W266 HydrophobicContact CB-CH2 3.74Å; L252-W266 HydrophobicContact CB-CZ2 3.98Å; L252-W266 VanDerWaalsContact O-CZ2 3.27Å; L252-W266 WeakPolarHBondContact O-CZ2 3.37Å; C254-W266 HydrophobicContact CB-CH2 4.02Å; C254-W266 HydrophobicContact CB-CZ2 3.4Å; W266-F280 HydrophobicContact CB-CB 4.39Å; W266-F280 HydrophobicContact CB-CD2 4.38Å; W266-F280 HydrophobicContact CB-CG 4.42Å; W266-F280 VanDerWaalsContact O-CB 3.29Å; W266-F280 WeakPolarHBondContact O-CB 3.41Å; W266-E302 PolarHBondContact NE1-O 2.92Å; W266-L304 HydrophobicContact CD2-CB 4.25Å; W266-L304 HydrophobicContact CD2-CD2 4.48Å; W266-L304 HydrophobicContact CG-CB 4.43Å; W266-L304 HydrophobicContact CZ2-CB 4.27Å; W266-Y318 CarbonylContact C-O 3.6Å; W266-Y318 WeakPolarHBondContact CA-O 3.35Å; W266-Y318 VanDerWaalsContact CE3-O 3.31Å; W266-C319 HydrophobicContact CD2-CB 4.3Å; W266-C319 HydrophobicContact CE3-CB 3.99Å; W266-C319 HydrophobicContact CH2-CB 4.04Å; W266-C319 HydrophobicContact CZ2-CB 4.35Å; W266-C319 HydrophobicContact CZ3-CB 3.84Å |
| 267 | S | 81 | Confident | 67.2 | Low | 44 Ų | 44 | 80.4 Ų | 80.4 | 31% | 0.308 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 163.1 | 164.1 | 58.2 | 0 | 0 | 0 | 0 | 108.7 | Y317 Y318 | S267-Y317 CarbonylContact O-C 3.59Å; S267-Y318 PolarHBondContact N-O 2.85Å; S267-Y318 PolarHBondContact O-N 2.9Å; S267-Y318 VanDerWaalsContact O-O 3.12Å; S267-Y318 WeakPolarHBondContact OG-CB 3.11Å |
| 268 | S | 76 | Confident | 65.3 | Low | 3 Ų | 3 | 89.3 Ų | 89.3 | 2% | 0.021 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 150.4 | 177.9 | 174.4 | 0 | 0 | 0 | 0 | 109.7 | Y270 V316 | S268-Y270 VanDerWaalsContact C-N 3.33Å; S268-Y270 PolarHBondContact OG-N 3.41Å; S268-Y270 VanDerWaalsContact OG-N 3.16Å; S268-V316 WeakPolarHBondContact CA-O 3.18Å; S268-V316 PolarHBondContact OG-O 2.89Å; S268-V316 VanDerWaalsContact OG-O 3.14Å |
| 269 | N | 65.8 | Low | 63.5 | Low | 78 Ų | 78 | 92.8 Ų | 92.8 | 42% | 0.417 | 46% | 0.461 | S | S | . | . | trans | -96.6 | 26.7 | 172.7 | -72.5 | -12.2 | 0 | 0 | 0 | 112.3 | A271 V316 Y318 | N269-A271 PolarHBondContact O-N 3.25Å; N269-A271 VanDerWaalsContact O-N 3.15Å; N269-V316 PolarHBondContact N-O 2.83Å; N269-Y318 HydrophobicContact CB-CE2 4.19Å; N269-Y318 VanDerWaalsContact ND2-CE2 3.35Å; N269-Y318 WeakPolarHBondContact ND2-CE2 3.12Å; N269-Y318 PolarHBondContact ND2-OH 3.35Å; N269-Y318 VanDerWaalsContact ND2-OH 3.07Å | ||
| 270 | Y | 55.9 | Low | 62.3 | Low | 55 Ų | 55 | 87.4 Ų | 87.4 | 22% | 0.216 | 44% | 0.442 | C | S | . | . | trans | -53.1 | 121.8 | 175.2 | 170.3 | -118.7 | 0 | 0 | 0 | 111.2 | S268 R272 E312 | S268-Y270 VanDerWaalsContact C-N 3.33Å; S268-Y270 PolarHBondContact OG-N 3.41Å; S268-Y270 VanDerWaalsContact OG-N 3.16Å; Y270-R272 HydrophobicContact CE1-CB 4.02Å; Y270-E312 WeakPolarHBondContact CD2-O 3.32Å; Y270-E312 VanDerWaalsContact CE2-C 3.48Å; Y270-E312 HydrophobicContact CE2-CB 4.12Å; Y270-E312 HydrophobicContact CE2-CG 4.42Å; Y270-E312 WeakPolarHBondContact CE2-O 3Å; Y270-E312 WeakPolarHBondContact OH-CG 3.43Å | ||
| 271 | A | 46.7 | Very low | 60.8 | Low | 60 Ų | 60 | 91.4 Ų | 91.4 | 50% | 0.496 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 118.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | N269 | N269-A271 PolarHBondContact O-N 3.25Å; N269-A271 VanDerWaalsContact O-N 3.15Å |
| 272 | R | 44 | Very low | 58.7 | Low | 163 Ų | 163 | 95.7 Ų | 95.7 | 62% | 0.615 | 51% | 0.509 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 122.9 | 165.9 | -164.1 | 175.6 | -178.1 | -177.5 | 2.1 | 108.1 | Y270 G274 K275 | Y270-R272 HydrophobicContact CE1-CB 4.02Å; R272-G274 VanDerWaalsContact C-N 3.35Å; R272-G274 PolarHBondContact O-N 3.4Å; R272-K275 PolarHBondContact O-N 2.84Å |
| 273 | N | 43.1 | Very low | 56.8 | Low | 159 Ų | 159 | 94.4 Ų | 94.4 | 85% | 0.85 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 46.8 | 179.9 | -64.9 | 1.4 | 0 | 0 | 0 | 114.2 | K275 | N273-K275 PolarHBondContact O-N 3.5Å; N273-K275 VanDerWaalsContact O-N 3.12Å |
| 274 | G | 45.1 | Very low | 55 | Low | 79 Ų | 79 | 95.7 Ų | 95.7 | 81% | 0.814 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 2.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | R272 | R272-G274 VanDerWaalsContact C-N 3.35Å; R272-G274 PolarHBondContact O-N 3.4Å |
| 275 | K | 41.5 | Very low | 53.2 | Low | 166 Ų | 166 | 104.6 Ų | 104.6 | 72% | 0.722 | 57% | 0.572 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.4 | 116.6 | 172.4 | -69.1 | -174.5 | 179.1 | -179.2 | 0 | 110.4 | R272 N273 R277 | R272-K275 PolarHBondContact O-N 2.84Å; N273-K275 PolarHBondContact O-N 3.5Å; N273-K275 VanDerWaalsContact O-N 3.12Å; K275-R277 PolarHBondContact O-N 3.36Å |
| 276 | T | 42.1 | Very low | 51.9 | Low | 112 Ų | 112 | 102.6 Ų | 102.6 | 69% | 0.687 | 57% | 0.565 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -63.7 | 116 | 168.6 | 30.7 | 0 | 0 | 0 | 0 | 109.3 | ||
| 277 | R | 43.2 | Very low | 51 | Low | 169 Ų | 169 | 113.7 Ų | 113.7 | 64% | 0.638 | 61% | 0.607 | S | S | * | * | trans | -109.1 | 115.8 | 173.5 | -95.6 | -170.7 | 171 | -158.7 | 2.7 | 109.5 | K275 F279 | K275-R277 PolarHBondContact O-N 3.36Å; R277-F279 HydrophobicContact CB-CD2 4Å; R277-F279 HydrophobicContact CG-CD2 4.14Å; R277-F279 VanDerWaalsContact NH1-CE2 3.31Å; R277-F279 PolarHBondContact O-N 2.9Å; R277-F279 VanDerWaalsContact O-N 3.08Å | ||
| 278 | K | 46.4 | Very low | 50.9 | Low | 187 Ų | 187 | 113.1 Ų | 113.1 | 81% | 0.813 | 60% | 0.603 | S | S | * | * | trans | -69.4 | 95.9 | 162.3 | -68 | -177.1 | 179.5 | -178.9 | 0 | 107.9 | ||||
| 279 | F | 45.1 | Very low | 51.2 | Low | 118 Ų | 118 | 114.4 Ų | 114.4 | 52% | 0.518 | 61% | 0.609 | S | S | . | * | trans | -130.9 | 89 | -177 | -119.5 | -87.7 | 0 | 0 | 0 | 110.2 | R277 | R277-F279 HydrophobicContact CB-CD2 4Å; R277-F279 HydrophobicContact CG-CD2 4.14Å; R277-F279 VanDerWaalsContact NH1-CE2 3.31Å; R277-F279 PolarHBondContact O-N 2.9Å; R277-F279 VanDerWaalsContact O-N 3.08Å | ||
| 280 | F | 52.1 | Low | 52.2 | Low | 56 Ų | 56 | 116.9 Ų | 116.9 | 25% | 0.246 | 62% | 0.616 | C | S | . | * | trans | -161.1 | 45.7 | 155.7 | -72.3 | -58.5 | 0 | 0 | 0 | 109.7 | W266 I289 I291 L304 Y317 | W266-F280 HydrophobicContact CB-CB 4.39Å; W266-F280 HydrophobicContact CB-CD2 4.38Å; W266-F280 HydrophobicContact CB-CG 4.42Å; W266-F280 VanDerWaalsContact O-CB 3.29Å; W266-F280 WeakPolarHBondContact O-CB 3.41Å; F280-I289 HydrophobicContact CE1-CG2 3.93Å; F280-I289 HydrophobicContact CZ-CD1 4.44Å; F280-I289 HydrophobicContact CZ-CG2 4.46Å; F280-I291 HydrophobicContact CD1-CD1 4.37Å; F280-L304 HydrophobicContact CD1-CD1 4.49Å; F280-L304 HydrophobicContact CE1-CD1 4.06Å; F280-L304 HydrophobicContact CZ-CD1 4.28Å; F280-L304 HydrophobicContact CZ-CD2 4.39Å; F280-Y317 HydrophobicContact CE2-CD1 4.26Å; F280-Y317 HydrophobicContact CE2-CE1 4.19Å; F280-Y317 HydrophobicContact CZ-CE1 4.27Å | ||
| 281 | T | 43.7 | Very low | 53.7 | Low | 129 Ų | 129 | 117.3 Ų | 117.3 | 79% | 0.791 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -105.5 | 114.5 | 165.8 | 42.3 | 0 | 0 | 0 | 0 | 107.6 | ||
| 282 | A | 39.9 | Very low | 55.7 | Low | 97 Ų | 97 | 116.4 Ų | 116.4 | 80% | 0.802 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 75.7 | 110.4 | -175 | 0 | 0 | 0 | 0 | 0 | 115.9 | G284 | A282-G284 PolarHBondContact O-N 3.1Š|
| 283 | A | 40.5 | Very low | 58 | Low | 96 Ų | 96 | 112.9 Ų | 112.9 | 79% | 0.793 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -48.5 | 119.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 284 | G | 43.7 | Very low | 60.2 | Low | 72 Ų | 72 | 108.4 Ų | 108.4 | 74% | 0.742 | 58% | 0.576 | S | S | * | * | trans | 165.9 | -6.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | A282 | A282-G284 PolarHBondContact O-N 3.1Š| ||
| 285 | K | 49.2 | Very low | 62.2 | Low | 207 Ų | 207 | 111.2 Ų | 111.2 | 90% | 0.9 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -132.1 | 8.7 | -175.9 | -80.4 | -171.3 | 178.6 | 177.5 | 0 | 119 | ||
| 286 | H | 57.3 | Low | 64.2 | Low | 93 Ų | 93 | 104.4 Ų | 104.4 | 43% | 0.431 | 55% | 0.545 | S | S | . | . | trans | -125.9 | 120.1 | 173.7 | -154.1 | -85.8 | 0 | 0 | 0 | 111.8 | S288 I289 Y313 | H286-S288 VanDerWaalsContact C-N 3.28Å; H286-S288 PolarHBondContact ND1-N 3.05Å; H286-S288 PolarHBondContact O-N 3.06Å; H286-I289 PolarHBondContact O-N 3.32Å; H286-Y313 PolarHBondContact CE1-OH 3.48Å | ||
| 287 | R | 68.1 | Low | 65.8 | Low | 245 Ų | 245 | 105.8 Ų | 105.8 | 93% | 0.925 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -28.8 | -176.3 | -74 | -174.7 | 178.4 | -175 | -0.2 | 113.3 | ||
| 288 | S | 79.3 | Confident | 67.6 | Low | 32 Ų | 32 | 99.4 Ų | 99.4 | 22% | 0.224 | 53% | 0.525 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -7.1 | -176.3 | -44.4 | 0 | 0 | 0 | 0 | 115.1 | H286 F307 | H286-S288 VanDerWaalsContact C-N 3.28Å; H286-S288 PolarHBondContact ND1-N 3.05Å; H286-S288 PolarHBondContact O-N 3.06Å; S288-F307 WeakPolarHBondContact O-CD2 3.26Å; S288-F307 PolarHBondContact O-N 3.48Å |
| 289 | I | 83.1 | Confident | 69.6 | Low | 30 Ų | 30 | 90.7 Ų | 90.7 | 15% | 0.154 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 123.6 | -176.8 | -58.1 | 175.7 | 0 | 0 | 0 | 109.3 | F280 H286 L304 H305 I306 | F280-I289 HydrophobicContact CE1-CG2 3.93Å; F280-I289 HydrophobicContact CZ-CD1 4.44Å; F280-I289 HydrophobicContact CZ-CG2 4.46Å; H286-I289 PolarHBondContact O-N 3.32Å; I289-L304 HydrophobicContact CG2-CD1 3.39Å; I289-L304 HydrophobicContact CG2-CG 4.22Å; I289-H305 CarbonylContact C-O 3.43Å; I289-H305 VanDerWaalsContact CA-O 3.27Å; I289-H305 WeakPolarHBondContact CA-O 3.38Å; I289-I306 HydrophobicContact CG1-CG1 4.43Å; I289-I306 HydrophobicContact CG1-CG2 4.31Å |
| 290 | K | 85.3 | Confident | 71.8 | Confident | 130 Ų | 130 | 85.9 Ų | 85.9 | 57% | 0.565 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143 | 177 | -63.4 | -175.8 | -177 | 176.4 | 0 | 109.8 | H305 F307 | K290-H305 HydrophobicContact CB-CB 4.4Å; K290-H305 PolarHBondContact N-O 2.7Å; K290-H305 WeakPolarHBondContact O-CA 3.48Å; K290-H305 WeakPolarHBondContact O-CB 3.03Å; K290-H305 PolarHBondContact O-N 2.87Å; K290-F307 HydrophobicContact CB-CE2 4.06Å; K290-F307 HydrophobicContact CD-CE2 3.78Å; K290-F307 HydrophobicContact CD-CZ 4.38Å; K290-F307 HydrophobicContact CG-CE2 3.84Å |
| 291 | I | 87.3 | Confident | 73.7 | Confident | 64 Ų | 64 | 83.4 Ų | 83.4 | 33% | 0.328 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132 | 171.4 | -60.4 | 172.2 | 0 | 0 | 0 | 107.3 | F280 V303 L304 | F280-I291 HydrophobicContact CD1-CD1 4.37Å; I291-V303 CarbonylContact C-O 3.51Å; I291-V303 VanDerWaalsContact CA-O 3.29Å; I291-V303 WeakPolarHBondContact CA-O 3.37Å; I291-L304 HydrophobicContact CD1-CD1 4.2Å; I291-L304 HydrophobicContact CG1-CD1 3.63Å |
| 292 | S | 90 | Very high | 76 | Confident | 40 Ų | 40 | 79 Ų | 79 | 28% | 0.28 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 146 | 173.5 | 67.4 | 0 | 0 | 0 | 0 | 110.7 | V303 H305 | S292-V303 PolarHBondContact N-O 3.09Å; S292-V303 PolarHBondContact O-N 3.43Å; S292-H305 PolarHBondContact OG-CD2 3.48Å; S292-H305 PolarHBondContact OG-NE2 3.29Å |
| 293 | H | 91.8 | Very high | 78.5 | Confident | 90 Ų | 90 | 74.4 Ų | 74.4 | 42% | 0.417 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 129.4 | 171.2 | -174.5 | 79.4 | 0 | 0 | 0 | 110.2 | Y256 E302 | Y256-H293 PolarHBondContact OH-CE1 3.06Å; H293-E302 IonicContact CE1-OE1 2.76Å; H293-E302 IonicContact CG-OE1 3.43Å; H293-E302 IonicContact ND1-OE1 2.68Å; H293-E302 PolarHBondContact ND1-OE1 3.41Å |
| 294 | E | 89.7 | Confident | 80.9 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 30% | 0.304 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 117.3 | 170 | -68.8 | -179 | -173.9 | 0 | 0 | 109.1 | R230 N300 S301 V303 | R230-E294 IonicContact CZ-OE2 3.22Å; R230-E294 VanDerWaalsContact CZ-OE2 3.26Å; R230-E294 VanDerWaalsContact NH1-CD 3.25Å; R230-E294 IonicContact NH1-OE1 2.96Å; R230-E294 PolarHBondContact NH1-OE1 2.85Å; R230-E294 IonicContact NH1-OE2 3Å; R230-E294 PolarHBondContact NH1-OE2 2.87Å; R230-E294 IonicContact NH2-OE2 2.9Å; R230-E294 PolarHBondContact NH2-OE2 3.3Å; E294-N300 CarbonylContact O-C 3.59Å; E294-N300 WeakPolarHBondContact O-CA 3.5Å; E294-S301 PolarHBondContact N-O 3.49Å; E294-S301 PolarHBondContact O-N 3.47Å; E294-V303 HydrophobicContact CB-CG2 4.33Å; E294-V303 HydrophobicContact CG-CG2 3.82Å |
| 295 | E | 87.5 | Confident | 83.1 | Confident | 137 Ų | 137 | 67.9 Ų | 67.9 | 64% | 0.64 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 121.6 | 176.4 | -167.4 | 176.1 | -179.1 | 0 | 0 | 109.8 | K258 | K258-E295 VanDerWaalsContact CE-OE1 3.25Å; K258-E295 WeakPolarHBondContact CE-OE1 3.48Å; K258-E295 IonicContact NZ-OE1 2.69Å; K258-E295 PolarHBondContact NZ-OE1 3.33Å |
| 296 | G | 83.2 | Confident | 85 | Confident | 24 Ų | 24 | 58 Ų | 58 | 25% | 0.247 | 28% | 0.28 | C | S | . | . | trans | -107.2 | 176.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S299 | G296-S299 CarbonylContact C-O 3.57Å; G296-S299 WeakPolarHBondContact CA-O 3.35Å; G296-S299 PolarHBondContact N-O 3.48Å | ||
| 297 | N | 75.9 | Confident | 86.5 | Confident | 140 Ų | 140 | 56.5 Ų | 56.5 | 75% | 0.749 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -69.7 | -33.9 | 179.9 | -71.2 | -15.4 | 0 | 0 | 0 | 112.4 | ||
| 298 | F | 80 | Confident | 87.3 | Confident | 35 Ų | 35 | 51 Ų | 51 | 15% | 0.154 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -123 | -43.2 | -178.4 | -55.2 | -80.9 | 0 | 0 | 0 | 112.4 | H115 V213 D215 Q257 K258 | H115-F298 HydrophobicContact CB-CE2 4.35Å; H115-F298 AromaticContact CD2-CE2 3.79Å; H115-F298 AromaticContact CE1-CE2 3.52Å; H115-F298 AromaticContact CE1-CZ 3.37Å; H115-F298 WeakPolarHBondContact CE1-CZ 3.33Å; H115-F298 AromaticContact CG-CE2 3.62Å; H115-F298 AromaticContact CG-CZ 3.97Å; H115-F298 AromaticContact ND1-CE2 3.45Å; H115-F298 WeakPolarHBondContact ND1-CE2 3.26Å; H115-F298 AromaticContact ND1-CZ 3.3Å; H115-F298 VanDerWaalsContact ND1-CZ 3.3Å; H115-F298 WeakPolarHBondContact ND1-CZ 3.44Å; H115-F298 AromaticContact NE2-CE2 3.76Å; V213-F298 HydrophobicContact CB-CD1 4.36Å; V213-F298 HydrophobicContact CB-CE1 4.41Å; V213-F298 HydrophobicContact CG1-CD1 4.07Å; V213-F298 HydrophobicContact CG1-CE1 3.96Å; V213-F298 HydrophobicContact CG1-CZ 4.48Å; D215-F298 HydrophobicContact CB-CD2 4.43Å; Q257-F298 PolarHBondContact NE2-O 3.27Å; Q257-F298 PolarHBondContact OE1-O 3.13Å; Q257-F298 VanDerWaalsContact OE1-O 3.08Å; K258-F298 VanDerWaalsContact CB-O 3.26Å; K258-F298 WeakPolarHBondContact CB-O 3.43Å; K258-F298 PolarHBondContact N-O 2.63Å |
| 299 | S | 88 | Confident | 87.7 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 4% | 0.035 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 152.8 | 174 | 65.4 | 0 | 0 | 0 | 0 | 112.5 | D215 V216 Y256 G296 | D215-S299 WeakPolarHBondContact OD1-CB 3.35Å; D215-S299 PolarHBondContact OD1-N 2.95Å; D215-S299 PolarHBondContact OD1-OG 3.24Å; V216-S299 VanDerWaalsContact CG2-CB 3.41Å; Y256-S299 CarbonylContact O-C 3.45Å; Y256-S299 WeakPolarHBondContact O-CA 3.11Å; Y256-S299 WeakPolarHBondContact O-CB 3.4Å; G296-S299 CarbonylContact C-O 3.57Å; G296-S299 WeakPolarHBondContact CA-O 3.35Å; G296-S299 PolarHBondContact N-O 3.48Å |
| 300 | N | 91.7 | Very high | 87.7 | Confident | 17 Ų | 17 | 49.5 Ų | 49.5 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 161.4 | 162.6 | -74.4 | -3.1 | 0 | 0 | 0 | 108.8 | M255 Y256 K258 E294 | M255-N300 WeakPolarHBondContact CA-O 3.23Å; Y256-N300 VanDerWaalsContact CD1-O 3.31Å; Y256-N300 WeakPolarHBondContact CD1-O 3.38Å; Y256-N300 HydrophobicContact CD2-CB 4.24Å; Y256-N300 HydrophobicContact CE1-CB 3.94Å; Y256-N300 HydrophobicContact CE2-CB 3.61Å; Y256-N300 VanDerWaalsContact CZ-CB 3.43Å; Y256-N300 PolarHBondContact N-O 3.3Å; Y256-N300 PolarHBondContact O-N 3.12Å; K258-N300 WeakPolarHBondContact CD-OD1 3.35Å; E294-N300 CarbonylContact O-C 3.59Å; E294-N300 WeakPolarHBondContact O-CA 3.5Å |
| 301 | S | 91.8 | Very high | 87.6 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.028 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 128.3 | 172.3 | -162.6 | 0 | 0 | 0 | 0 | 113.8 | S253 C254 E294 | S253-S301 WeakPolarHBondContact CB-OG 3.27Å; C254-S301 VanDerWaalsContact C-OG 3.26Å; C254-S301 PolarHBondContact N-OG 3.46Å; C254-S301 CarbonylContact O-C 3.57Å; C254-S301 WeakPolarHBondContact O-CA 3.32Å; C254-S301 PolarHBondContact O-OG 3.28Å; E294-S301 PolarHBondContact N-O 3.49Å; E294-S301 PolarHBondContact O-N 3.47Å |
| 302 | E | 92.6 | Very high | 87.2 | Confident | 37 Ų | 37 | 45.9 Ų | 45.9 | 17% | 0.173 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 109.7 | 164.5 | -74 | -56.3 | 145.3 | 0 | 0 | 108.4 | C254 Y256 V264 W266 H293 | C254-E302 PolarHBondContact N-O 3.4Å; C254-E302 PolarHBondContact O-N 2.99Å; Y256-E302 HydrophobicContact CE1-CG 4.04Å; V264-E302 HydrophobicContact CB-CG 3.89Å; V264-E302 HydrophobicContact CG1-CB 4.1Å; V264-E302 HydrophobicContact CG1-CG 3.9Å; W266-E302 PolarHBondContact NE1-O 2.92Å; H293-E302 IonicContact CE1-OE1 2.76Å; H293-E302 IonicContact CG-OE1 3.43Å; H293-E302 IonicContact ND1-OE1 2.68Å; H293-E302 PolarHBondContact ND1-OE1 3.41Å |
| 303 | V | 91.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 114.9 | -170.4 | -171.1 | 0 | 0 | 0 | 0 | 110.5 | A251 L252 I291 S292 E294 H305 | A251-V303 HydrophobicContact CB-CG1 3.5Å; A251-V303 VanDerWaalsContact CB-CG1 3.5Å; L252-V303 CarbonylContact O-C 3.56Å; L252-V303 WeakPolarHBondContact O-CA 3.48Å; I291-V303 CarbonylContact C-O 3.51Å; I291-V303 VanDerWaalsContact CA-O 3.29Å; I291-V303 WeakPolarHBondContact CA-O 3.37Å; S292-V303 PolarHBondContact N-O 3.09Å; S292-V303 PolarHBondContact O-N 3.43Å; E294-V303 HydrophobicContact CB-CG2 4.33Å; E294-V303 HydrophobicContact CG-CG2 3.82Å; V303-H305 WeakPolarHBondContact CG1-NE2 3.44Å; V303-H305 PolarHBondContact O-CD2 2.95Å; V303-H305 PolarHBondContact O-N 3.28Å |
| 304 | L | 91.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 100.1 | 172.9 | -177.6 | 71.2 | 0 | 0 | 0 | 109.7 | A251 L252 W266 F280 I289 I291 I306 Y317 | A251-L304 CarbonylContact C-O 3.59Å; A251-L304 VanDerWaalsContact CA-O 3.29Å; A251-L304 WeakPolarHBondContact CA-O 3.47Å; L252-L304 HydrophobicContact CB-CB 4.31Å; L252-L304 HydrophobicContact CD1-CD2 4.41Å; L252-L304 PolarHBondContact N-O 3.46Å; L252-L304 PolarHBondContact O-N 2.88Å; W266-L304 HydrophobicContact CD2-CB 4.25Å; W266-L304 HydrophobicContact CD2-CD2 4.48Å; W266-L304 HydrophobicContact CG-CB 4.43Å; W266-L304 HydrophobicContact CZ2-CB 4.27Å; F280-L304 HydrophobicContact CD1-CD1 4.49Å; F280-L304 HydrophobicContact CE1-CD1 4.06Å; F280-L304 HydrophobicContact CZ-CD1 4.28Å; F280-L304 HydrophobicContact CZ-CD2 4.39Å; I289-L304 HydrophobicContact CG2-CD1 3.39Å; I289-L304 HydrophobicContact CG2-CG 4.22Å; I291-L304 HydrophobicContact CD1-CD1 4.2Å; I291-L304 HydrophobicContact CG1-CD1 3.63Å; L304-I306 HydrophobicContact CD2-CD1 4.38Å; L304-I306 HydrophobicContact CG-CG1 4.32Å; L304-Y317 HydrophobicContact CD2-CD1 3.41Å; L304-Y317 VanDerWaalsContact CD2-CD1 3.41Å; L304-Y317 HydrophobicContact CD2-CE1 3.63Å; L304-Y317 HydrophobicContact CD2-CG 4.47Å |
| 305 | H | 89.9 | Confident | 86.2 | Confident | 30 Ų | 30 | 40.3 Ų | 40.3 | 14% | 0.139 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 127 | 173.2 | -62 | -92 | 0 | 0 | 0 | 110.5 | I250 I289 K290 S292 V303 F307 | I250-H305 WeakPolarHBondContact O-CA 2.98Å; I289-H305 CarbonylContact C-O 3.43Å; I289-H305 VanDerWaalsContact CA-O 3.27Å; I289-H305 WeakPolarHBondContact CA-O 3.38Å; K290-H305 HydrophobicContact CB-CB 4.4Å; K290-H305 PolarHBondContact N-O 2.7Å; K290-H305 WeakPolarHBondContact O-CA 3.48Å; K290-H305 WeakPolarHBondContact O-CB 3.03Å; K290-H305 PolarHBondContact O-N 2.87Å; S292-H305 PolarHBondContact OG-CD2 3.48Å; S292-H305 PolarHBondContact OG-NE2 3.29Å; V303-H305 WeakPolarHBondContact CG1-NE2 3.44Å; V303-H305 PolarHBondContact O-CD2 2.95Å; V303-H305 PolarHBondContact O-N 3.28Å; H305-F307 HydrophobicContact CB-CE2 3.76Å; H305-F307 HydrophobicContact CB-CZ 3.86Å |
| 306 | I | 89.6 | Confident | 85.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 106.8 | 173.7 | -50.7 | 177.3 | 0 | 0 | 0 | 107.4 | I250 I289 L304 V309 Y313 Y317 L336 | I250-I306 HydrophobicContact CD1-CB 4.47Å; I250-I306 HydrophobicContact CD1-CD1 4.25Å; I250-I306 HydrophobicContact CG1-CB 3.91Å; I250-I306 HydrophobicContact CG1-CD1 4.46Å; I250-I306 HydrophobicContact CG1-CG1 4.43Å; I250-I306 PolarHBondContact N-O 2.95Å; I250-I306 PolarHBondContact O-N 2.86Å; I289-I306 HydrophobicContact CG1-CG1 4.43Å; I289-I306 HydrophobicContact CG1-CG2 4.31Å; L304-I306 HydrophobicContact CD2-CD1 4.38Å; L304-I306 HydrophobicContact CG-CG1 4.32Å; I306-V309 HydrophobicContact CB-CG2 4.09Å; I306-V309 HydrophobicContact CG2-CB 4.45Å; I306-V309 HydrophobicContact CG2-CG2 3.71Å; I306-Y313 HydrophobicContact CG2-CD2 3.66Å; I306-Y313 HydrophobicContact CG2-CE2 4.11Å; I306-Y313 HydrophobicContact CG2-CG 4.4Å; I306-Y317 HydrophobicContact CD1-CE1 4.12Å; I306-L336 HydrophobicContact CD1-CD2 3.8Å |
| 307 | F | 88.2 | Confident | 86.1 | Confident | 61 Ų | 61 | 34.7 Ų | 34.7 | 27% | 0.268 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -86.2 | 139.6 | 177.5 | -58.4 | -80 | 0 | 0 | 0 | 110 | T249 S288 K290 H305 V309 | T249-F307 HydrophobicContact CG2-CD1 3.51Å; T249-F307 HydrophobicContact CG2-CE1 3.92Å; T249-F307 HydrophobicContact CG2-CG 4.37Å; S288-F307 WeakPolarHBondContact O-CD2 3.26Å; S288-F307 PolarHBondContact O-N 3.48Å; K290-F307 HydrophobicContact CB-CE2 4.06Å; K290-F307 HydrophobicContact CD-CE2 3.78Å; K290-F307 HydrophobicContact CD-CZ 4.38Å; K290-F307 HydrophobicContact CG-CE2 3.84Å; H305-F307 HydrophobicContact CB-CE2 3.76Å; H305-F307 HydrophobicContact CB-CZ 3.86Å; F307-V309 PolarHBondContact O-N 3.32Å |
| 308 | H | 85.9 | Confident | 86.6 | Confident | 131 Ų | 131 | 31.1 Ų | 31.1 | 61% | 0.606 | 16% | 0.161 | S | C | * | . | S | Bend | trans | 48.9 | 61.7 | 178.1 | -53.4 | -65.6 | 0 | 0 | 0 | 112.3 | D248 S310 | D248-H308 WeakPolarHBondContact O-CA 3.49Å; D248-H308 PolarHBondContact O-N 2.81Å; H308-S310 PolarHBondContact O-N 3.38Å |
| 309 | V | 87.6 | Confident | 87 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 15% | 0.154 | C | C | . | . | trans | -56.5 | 131 | -173.6 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | V244 E246 K247 D248 I250 I306 F307 Y313 V338 | V244-V309 HydrophobicContact CG1-CB 4.32Å; V244-V309 HydrophobicContact CG1-CG1 4.01Å; V244-V309 HydrophobicContact CG1-CG2 4.27Å; E246-V309 CarbonylContact C-O 3.51Å; E246-V309 VanDerWaalsContact CA-O 3.3Å; E246-V309 WeakPolarHBondContact CA-O 3.44Å; K247-V309 PolarHBondContact N-O 2.91Å; D248-V309 WeakPolarHBondContact O-CG2 3.48Å; D248-V309 PolarHBondContact O-N 3.32Å; I250-V309 HydrophobicContact CB-CG2 4.45Å; I250-V309 HydrophobicContact CD1-CG2 3.88Å; I250-V309 HydrophobicContact CG1-CG2 3.69Å; I250-V309 HydrophobicContact CG2-CG2 4.21Å; I306-V309 HydrophobicContact CB-CG2 4.09Å; I306-V309 HydrophobicContact CG2-CB 4.45Å; I306-V309 HydrophobicContact CG2-CG2 3.71Å; F307-V309 PolarHBondContact O-N 3.32Å; V309-Y313 HydrophobicContact CG1-CD2 4.18Å; V309-V338 HydrophobicContact CB-CG1 4.48Å; V309-V338 HydrophobicContact CG1-CB 4.04Å; V309-V338 HydrophobicContact CG1-CG1 3.59Å; V309-V338 HydrophobicContact CG1-CG2 3.25Å | ||
| 310 | S | 83.4 | Confident | 86.9 | Confident | 29 Ų | 29 | 30.5 Ų | 30.5 | 20% | 0.203 | 16% | 0.161 | C | C | . | . | trans | -105.1 | 150.5 | 174.3 | 169.8 | 0 | 0 | 0 | 0 | 110.1 | H308 E312 Y313 | H308-S310 PolarHBondContact O-N 3.38Å; S310-E312 PolarHBondContact O-N 3.04Å; S310-E312 WeakPolarHBondContact OG-CG 3.49Å; S310-E312 PolarHBondContact OG-N 3.3Å; S310-Y313 WeakPolarHBondContact O-CB 3.27Å; S310-Y313 PolarHBondContact O-N 3.28Å | ||
| 311 | P | 83.2 | Confident | 86.6 | Confident | 31 Ų | 31 | 29.7 Ų | 29.7 | 20% | 0.201 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -49.4 | -30.1 | 173.1 | -29.9 | 36.8 | 0 | 0 | 0 | 114 | E246 Y313 S314 R340 | E246-P311 HydrophobicContact CB-CG 4.48Å; E246-P311 HydrophobicContact CG-CG 4.46Å; P311-Y313 VanDerWaalsContact C-N 3.29Å; P311-Y313 PolarHBondContact O-N 3.34Å; P311-S314 VanDerWaalsContact O-CB 3.31Å; P311-S314 WeakPolarHBondContact O-CB 3.49Å; P311-S314 PolarHBondContact O-N 2.99Å; P311-S314 PolarHBondContact O-OG 2.79Å; P311-R340 HydrophobicContact CG-CG 3.76Å |
| 312 | E | 77.5 | Confident | 86.1 | Confident | 86 Ų | 86 | 31.7 Ų | 31.7 | 40% | 0.402 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -61 | -36 | 176.1 | 76.8 | -163.3 | 177.3 | 0 | 0 | 112 | Y270 S310 S314 | Y270-E312 WeakPolarHBondContact CD2-O 3.32Å; Y270-E312 VanDerWaalsContact CE2-C 3.48Å; Y270-E312 HydrophobicContact CE2-CB 4.12Å; Y270-E312 HydrophobicContact CE2-CG 4.42Å; Y270-E312 WeakPolarHBondContact CE2-O 3Å; Y270-E312 WeakPolarHBondContact OH-CG 3.43Å; S310-E312 PolarHBondContact O-N 3.04Å; S310-E312 WeakPolarHBondContact OG-CG 3.49Å; S310-E312 PolarHBondContact OG-N 3.3Å; E312-S314 PolarHBondContact O-N 2.92Å |
| 313 | Y | 84.7 | Confident | 85.5 | Confident | 17 Ų | 17 | 30.6 Ų | 30.6 | 7% | 0.067 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -68.7 | 0.3 | 179.9 | -55.5 | -34.5 | 0 | 0 | 0 | 114.2 | H286 I306 V309 S310 P311 Y317 | H286-Y313 PolarHBondContact CE1-OH 3.48Å; I306-Y313 HydrophobicContact CG2-CD2 3.66Å; I306-Y313 HydrophobicContact CG2-CE2 4.11Å; I306-Y313 HydrophobicContact CG2-CG 4.4Å; V309-Y313 HydrophobicContact CG1-CD2 4.18Å; S310-Y313 WeakPolarHBondContact O-CB 3.27Å; S310-Y313 PolarHBondContact O-N 3.28Å; P311-Y313 VanDerWaalsContact C-N 3.29Å; P311-Y313 PolarHBondContact O-N 3.34Å; Y313-Y317 WeakPolarHBondContact O-CE2 3.29Å; Y313-Y317 PolarHBondContact O-OH 3.4Å |
| 314 | S | 83.1 | Confident | 84.4 | Confident | 40 Ų | 40 | 31.9 Ų | 31.9 | 28% | 0.28 | 18% | 0.177 | S | C | . | . | trans | -63 | 141.4 | 172.2 | -52.4 | 0 | 0 | 0 | 0 | 111.1 | P311 E312 L336 V338 | P311-S314 VanDerWaalsContact O-CB 3.31Å; P311-S314 WeakPolarHBondContact O-CB 3.49Å; P311-S314 PolarHBondContact O-N 2.99Å; P311-S314 PolarHBondContact O-OG 2.79Å; E312-S314 PolarHBondContact O-N 2.92Å; S314-L336 CarbonylContact C-O 3.55Å; S314-L336 WeakPolarHBondContact CA-O 3.5Å; S314-L336 WeakPolarHBondContact CB-O 3.45Å; S314-V338 WeakPolarHBondContact OG-CB 3.4Å; S314-V338 PolarHBondContact OG-N 3.09Å | ||
| 315 | G | 82.3 | Confident | 83 | Confident | 21 Ų | 21 | 39.9 Ų | 39.9 | 22% | 0.216 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 145.8 | -175.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y317 L336 | G315-Y317 WeakPolarHBondContact O-CD2 3.31Å; G315-L336 PolarHBondContact N-O 2.83Å; G315-L336 PolarHBondContact O-N 3.46Å |
| 316 | V | 81.5 | Confident | 82 | Confident | 41 Ų | 41 | 41.3 Ų | 41.3 | 25% | 0.248 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 123.9 | -175.9 | -170.2 | 0 | 0 | 0 | 0 | 110.6 | S268 N269 Y318 A333 E335 | S268-V316 WeakPolarHBondContact CA-O 3.18Å; S268-V316 PolarHBondContact OG-O 2.89Å; S268-V316 VanDerWaalsContact OG-O 3.14Å; N269-V316 PolarHBondContact N-O 2.83Å; V316-Y318 HydrophobicContact CB-CE2 4Å; V316-Y318 HydrophobicContact CG1-CD1 4.42Å; V316-Y318 HydrophobicContact CG1-CD2 4.35Å; V316-Y318 HydrophobicContact CG1-CE1 3.84Å; V316-Y318 HydrophobicContact CG1-CE2 3.73Å; V316-Y318 VanDerWaalsContact CG1-CZ 3.46Å; V316-A333 HydrophobicContact CG1-CB 3.71Å; V316-E335 HydrophobicContact CG2-CG 4.46Å |
| 317 | Y | 87.5 | Confident | 81 | Confident | 3 Ų | 3 | 43.8 Ų | 43.8 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 128.2 | 173.9 | -68.1 | -101.2 | 0 | 0 | 0 | 108.8 | L252 S267 F280 L304 I306 Y313 G315 A333 Y334 L336 | L252-Y317 HydrophobicContact CD1-CD1 4.18Å; L252-Y317 HydrophobicContact CD1-CD2 4.04Å; L252-Y317 HydrophobicContact CD1-CG 3.76Å; S267-Y317 CarbonylContact O-C 3.59Å; F280-Y317 HydrophobicContact CE2-CD1 4.26Å; F280-Y317 HydrophobicContact CE2-CE1 4.19Å; F280-Y317 HydrophobicContact CZ-CE1 4.27Å; L304-Y317 HydrophobicContact CD2-CD1 3.41Å; L304-Y317 VanDerWaalsContact CD2-CD1 3.41Å; L304-Y317 HydrophobicContact CD2-CE1 3.63Å; L304-Y317 HydrophobicContact CD2-CG 4.47Å; I306-Y317 HydrophobicContact CD1-CE1 4.12Å; Y313-Y317 WeakPolarHBondContact O-CE2 3.29Å; Y313-Y317 PolarHBondContact O-OH 3.4Å; G315-Y317 WeakPolarHBondContact O-CD2 3.31Å; Y317-A333 CarbonylContact O-C 3.31Å; Y317-A333 VanDerWaalsContact O-CA 3.31Å; Y317-A333 WeakPolarHBondContact O-CA 3.42Å; Y317-Y334 PolarHBondContact N-O 3.16Å; Y317-Y334 PolarHBondContact O-N 2.94Å; Y317-L336 HydrophobicContact CD2-CB 3.84Å; Y317-L336 HydrophobicContact CE2-CB 3.63Å; Y317-L336 HydrophobicContact CE2-CD2 3.73Å; Y317-L336 HydrophobicContact CE2-CG 4.31Å |
| 318 | Y | 86.1 | Confident | 80.2 | Confident | 64 Ų | 64 | 46 Ų | 46 | 25% | 0.251 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 129.7 | -179.6 | -56.4 | -92.5 | 0 | 0 | 0 | 110.1 | W266 S267 N269 V316 V331 R332 A333 | W266-Y318 CarbonylContact C-O 3.6Å; W266-Y318 WeakPolarHBondContact CA-O 3.35Å; W266-Y318 VanDerWaalsContact CE3-O 3.31Å; S267-Y318 PolarHBondContact N-O 2.85Å; S267-Y318 PolarHBondContact O-N 2.9Å; S267-Y318 VanDerWaalsContact O-O 3.12Å; S267-Y318 WeakPolarHBondContact OG-CB 3.11Å; N269-Y318 HydrophobicContact CB-CE2 4.19Å; N269-Y318 VanDerWaalsContact ND2-CE2 3.35Å; N269-Y318 WeakPolarHBondContact ND2-CE2 3.12Å; N269-Y318 PolarHBondContact ND2-OH 3.35Å; N269-Y318 VanDerWaalsContact ND2-OH 3.07Å; V316-Y318 HydrophobicContact CB-CE2 4Å; V316-Y318 HydrophobicContact CG1-CD1 4.42Å; V316-Y318 HydrophobicContact CG1-CD2 4.35Å; V316-Y318 HydrophobicContact CG1-CE1 3.84Å; V316-Y318 HydrophobicContact CG1-CE2 3.73Å; V316-Y318 VanDerWaalsContact CG1-CZ 3.46Å; Y318-V331 HydrophobicContact CD1-CG1 4.04Å; Y318-V331 HydrophobicContact CG-CG1 4.49Å; Y318-R332 CarbonylContact C-O 3.6Å; Y318-R332 WeakPolarHBondContact CA-O 3.32Å; Y318-A333 HydrophobicContact CD1-CB 3.76Å; Y318-A333 HydrophobicContact CE1-CB 3.78Å |
| 319 | C | 88.4 | Confident | 79.5 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 120.2 | 165.4 | -172.8 | 0 | 0 | 0 | 0 | 109 | F225 I227 C254 V264 K265 W266 V331 R332 | F225-C319 HydrophobicContact CE1-CB 4.28Å; F225-C319 WeakPolarHBondContact CE1-O 3.43Å; F225-C319 HydrophobicContact CZ-CB 4.22Å; F225-C319 VanDerWaalsContact CZ-SG 3.51Å; I227-C319 HydrophobicContact CD1-CB 3.82Å; I227-C319 HydrophobicContact CG1-CB 3.97Å; C254-C319 HydrophobicContact CB-CB 3.63Å; C254-C319 WeakPolarHBondContact CB-SG 3.45Å; C254-C319 WeakPolarHBondContact SG-CB 3.28Å; C254-C319 CovalentContact SG-SG 2.01Å; C254-C319 PolarHBondContact SG-SG 2.78Å; V264-C319 WeakPolarHBondContact CG1-SG 3.38Å; K265-C319 CarbonylContact O-C 3.55Å; K265-C319 WeakPolarHBondContact O-CA 3.47Å; W266-C319 HydrophobicContact CD2-CB 4.3Å; W266-C319 HydrophobicContact CE3-CB 3.99Å; W266-C319 HydrophobicContact CH2-CB 4.04Å; W266-C319 HydrophobicContact CZ2-CB 4.35Å; W266-C319 HydrophobicContact CZ3-CB 3.84Å; C319-V331 CarbonylContact O-C 3.57Å; C319-V331 WeakPolarHBondContact O-CA 3.49Å; C319-R332 PolarHBondContact N-O 2.92Å; C319-R332 PolarHBondContact O-N 3.16Å |
| 320 | S | 86.1 | Confident | 79 | Confident | 27 Ų | 27 | 44.9 Ų | 44.9 | 19% | 0.189 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 126.4 | 177.8 | 58.4 | 0 | 0 | 0 | 0 | 110.6 | V264 K265 V330 | V264-S320 CarbonylContact C-O 3.57Å; V264-S320 WeakPolarHBondContact CA-O 2.89Å; K265-S320 PolarHBondContact N-O 3.17Å; K265-S320 PolarHBondContact O-N 3.01Å; K265-S320 PolarHBondContact O-OG 2.96Å; S320-V330 CarbonylContact C-O 3.49Å; S320-V330 WeakPolarHBondContact CA-O 3.41Å |
| 321 | G | 86 | Confident | 78.9 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 147.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S263 S329 V330 | S263-G321 CarbonylContact O-C 3.55Å; S263-G321 WeakPolarHBondContact O-CA 3.31Å; G321-S329 CarbonylContact O-C 3.58Å; G321-S329 WeakPolarHBondContact O-CA 3.36Å; G321-V330 PolarHBondContact N-O 3.28Å; G321-V330 PolarHBondContact O-N 3.47Å |
| 322 | T | 82 | Confident | 79 | Confident | 47 Ų | 47 | 49.2 Ų | 49.2 | 29% | 0.288 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 124.4 | 174.2 | -46.5 | 0 | 0 | 0 | 0 | 109.8 | Y261 N262 S263 L328 | Y261-T322 CarbonylContact C-O 3.54Å; Y261-T322 WeakPolarHBondContact CA-O 3.25Å; N262-T322 PolarHBondContact N-O 2.73Å; S263-T322 PolarHBondContact O-N 3.17Å; S263-T322 PolarHBondContact OG-OG1 3.39Å; T322-L328 WeakPolarHBondContact CA-O 3.5Å |
| 323 | E | 78.7 | Confident | 79.2 | Confident | 14 Ų | 14 | 48 Ų | 48 | 7% | 0.065 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 139.4 | 175.3 | -65.8 | -172 | 177.5 | 0 | 0 | 111.1 | Y260 Y261 S326 G327 L328 V330 | Y260-E323 HydrophobicContact CD1-CG 4.2Å; Y260-E323 HydrophobicContact CE1-CB 4.28Å; Y260-E323 VanDerWaalsContact CE1-CD 3.44Å; Y260-E323 HydrophobicContact CE1-CG 3.57Å; Y260-E323 WeakPolarHBondContact CE1-OE1 3.31Å; Y260-E323 WeakPolarHBondContact O-CA 3.28Å; Y260-E323 PolarHBondContact OH-OE2 3.03Å; Y261-E323 HydrophobicContact CD1-CG 4.11Å; Y261-E323 HydrophobicContact CE1-CG 3.69Å; E323-S326 WeakPolarHBondContact CB-OG 3.37Å; E323-S326 PolarHBondContact OE2-OG 3.29Å; E323-G327 WeakPolarHBondContact O-CA 3.31Å; E323-G327 PolarHBondContact O-N 3.49Å; E323-L328 HydrophobicContact CB-CB 4.45Å; E323-L328 HydrophobicContact CG-CB 4.34Å; E323-L328 PolarHBondContact N-O 2.83Å; E323-V330 HydrophobicContact CG-CG2 4.31Å |
| 324 | G | 68.6 | Low | 79.2 | Confident | 26 Ų | 26 | 50.1 Ų | 50.1 | 27% | 0.268 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -42.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y260 N262 | Y260-G324 PolarHBondContact O-N 2.84Å; N262-G324 WeakPolarHBondContact ND2-CA 3.32Å; N262-G324 WeakPolarHBondContact OD1-CA 3.26Å |
| 325 | D | 62.4 | Low | 79.1 | Confident | 168 Ų | 168 | 54.7 Ų | 54.7 | 90% | 0.898 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -34.7 | -175.9 | -63.7 | -26.1 | 0 | 0 | 0 | 112.8 | ||
| 326 | S | 68.6 | Low | 79.4 | Confident | 61 Ų | 61 | 53.8 Ų | 53.8 | 43% | 0.427 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -20.4 | -174.8 | 67.8 | 0 | 0 | 0 | 0 | 113.4 | E323 L328 | E323-S326 WeakPolarHBondContact CB-OG 3.37Å; E323-S326 PolarHBondContact OE2-OG 3.29Å; S326-L328 PolarHBondContact O-N 2.89Å; S326-L328 WeakPolarHBondContact OG-CB 3.25Å; S326-L328 WeakPolarHBondContact OG-CG 3.43Å; S326-L328 PolarHBondContact OG-N 3.1Å |
| 327 | G | 69.5 | Low | 79.4 | Confident | 51 Ų | 51 | 54.4 Ų | 54.4 | 53% | 0.526 | 32% | 0.319 | S | S | . | . | trans | 67.2 | 5.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | E323 | E323-G327 WeakPolarHBondContact O-CA 3.31Å; E323-G327 PolarHBondContact O-N 3.49Å | ||
| 328 | L | 71.3 | Confident | 79.4 | Confident | 107 Ų | 107 | 54.3 Ų | 54.3 | 56% | 0.56 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 137.2 | 179.8 | -70.6 | 167 | 0 | 0 | 0 | 110.8 | T322 E323 S326 | T322-L328 WeakPolarHBondContact CA-O 3.5Å; E323-L328 HydrophobicContact CB-CB 4.45Å; E323-L328 HydrophobicContact CG-CB 4.34Å; E323-L328 PolarHBondContact N-O 2.83Å; S326-L328 PolarHBondContact O-N 2.89Å; S326-L328 WeakPolarHBondContact OG-CB 3.25Å; S326-L328 WeakPolarHBondContact OG-CG 3.43Å; S326-L328 PolarHBondContact OG-N 3.1Å |
| 329 | S | 72.2 | Confident | 79.4 | Confident | 82 Ų | 82 | 51.6 Ų | 51.6 | 57% | 0.573 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 123.7 | 174.6 | -172.6 | 0 | 0 | 0 | 0 | 110.5 | G321 | G321-S329 CarbonylContact O-C 3.58Å; G321-S329 WeakPolarHBondContact O-CA 3.36Å |
| 330 | V | 76.2 | Confident | 79.3 | Confident | 27 Ų | 27 | 59 Ų | 59 | 16% | 0.164 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 139.9 | 170.4 | 177.1 | 0 | 0 | 0 | 0 | 108.9 | F225 Y261 S320 G321 E323 | F225-V330 HydrophobicContact CB-CG1 4.44Å; F225-V330 HydrophobicContact CD1-CG1 3.87Å; F225-V330 HydrophobicContact CE1-CG1 4.39Å; F225-V330 HydrophobicContact CG-CG1 4.19Å; Y261-V330 HydrophobicContact CE1-CB 4.15Å; Y261-V330 HydrophobicContact CE1-CG2 3.89Å; S320-V330 CarbonylContact C-O 3.49Å; S320-V330 WeakPolarHBondContact CA-O 3.41Å; G321-V330 PolarHBondContact N-O 3.28Å; G321-V330 PolarHBondContact O-N 3.47Å; E323-V330 HydrophobicContact CG-CG2 4.31Å |
| 331 | V | 81 | Confident | 79.2 | Confident | 80 Ų | 80 | 59.5 Ų | 59.5 | 49% | 0.485 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 133.6 | 176.9 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | Y318 C319 | Y318-V331 HydrophobicContact CD1-CG1 4.04Å; Y318-V331 HydrophobicContact CG-CG1 4.49Å; C319-V331 CarbonylContact O-C 3.57Å; C319-V331 WeakPolarHBondContact O-CA 3.49Å |
| 332 | R | 84.7 | Confident | 79.4 | Confident | 71 Ų | 71 | 63.8 Ų | 63.8 | 27% | 0.268 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 145.8 | 171 | -71.1 | -70.9 | 175.6 | -150.9 | -14.9 | 110.1 | F222 F225 I227 Y318 C319 | F222-R332 VanDerWaalsContact CD1-NH1 3.28Å; F225-R332 HydrophobicContact CD1-CB 4.3Å; F225-R332 HydrophobicContact CD1-CG 3.5Å; F225-R332 VanDerWaalsContact CD1-CG 3.5Å; F225-R332 HydrophobicContact CE1-CB 4.05Å; F225-R332 HydrophobicContact CE1-CG 3.75Å; F225-R332 PolarHBondContact O-NE 2.9Å; I227-R332 HydrophobicContact CD1-CB 3.74Å; I227-R332 HydrophobicContact CG1-CB 4Å; Y318-R332 CarbonylContact C-O 3.6Å; Y318-R332 WeakPolarHBondContact CA-O 3.32Å; C319-R332 PolarHBondContact N-O 2.92Å; C319-R332 PolarHBondContact O-N 3.16Å |
| 333 | A | 82.1 | Confident | 79.7 | Confident | 61 Ų | 61 | 63.6 Ų | 63.6 | 50% | 0.504 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 141.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | V316 Y317 Y318 | V316-A333 HydrophobicContact CG1-CB 3.71Å; Y317-A333 CarbonylContact O-C 3.31Å; Y317-A333 VanDerWaalsContact O-CA 3.31Å; Y317-A333 WeakPolarHBondContact O-CA 3.42Å; Y318-A333 HydrophobicContact CD1-CB 3.76Å; Y318-A333 HydrophobicContact CE1-CB 3.78Å |
| 334 | Y | 84.7 | Confident | 80.3 | Confident | 61 Ų | 61 | 63.4 Ų | 63.4 | 24% | 0.239 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 121.9 | 170.4 | -170 | -81.8 | 0 | 0 | 0 | 108.7 | I227 L229 L252 Y317 L336 | I227-Y334 HydrophobicContact CB-CD2 4.38Å; I227-Y334 HydrophobicContact CG2-CD2 3.84Å; I227-Y334 HydrophobicContact CG2-CG 3.98Å; L229-Y334 HydrophobicContact CB-CE2 4.33Å; L229-Y334 WeakPolarHBondContact CD2-OH 3.3Å; L252-Y334 HydrophobicContact CD1-CD1 4.25Å; L252-Y334 HydrophobicContact CD2-CD1 3.58Å; L252-Y334 HydrophobicContact CD2-CE1 3.73Å; L252-Y334 HydrophobicContact CD2-CG 4.02Å; Y317-Y334 PolarHBondContact N-O 3.16Å; Y317-Y334 PolarHBondContact O-N 2.94Å; Y334-L336 PolarHBondContact O-N 3.16Å |
| 335 | E | 82.1 | Confident | 81.3 | Confident | 137 Ų | 137 | 65.6 Ų | 65.6 | 64% | 0.64 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 109.1 | 174.8 | -172.2 | 175.8 | -164.8 | 0 | 0 | 109.6 | V316 V337 | V316-E335 HydrophobicContact CG2-CG 4.46Å; E335-V337 HydrophobicContact CG-CG2 4.14Å |
| 336 | L | 87.1 | Confident | 82.5 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 118.7 | 173.6 | 179.6 | 61.3 | 0 | 0 | 0 | 108.8 | V244 I250 I306 S314 G315 Y317 Y334 V338 | V244-L336 HydrophobicContact CB-CD1 4.18Å; V244-L336 HydrophobicContact CG1-CD1 4.35Å; V244-L336 HydrophobicContact CG2-CD1 3.83Å; I250-L336 HydrophobicContact CD1-CD1 3.48Å; I250-L336 VanDerWaalsContact CD1-CD1 3.48Å; I250-L336 HydrophobicContact CD1-CD2 3.74Å; I250-L336 HydrophobicContact CD1-CG 4.28Å; I306-L336 HydrophobicContact CD1-CD2 3.8Å; S314-L336 CarbonylContact C-O 3.55Å; S314-L336 WeakPolarHBondContact CA-O 3.5Å; S314-L336 WeakPolarHBondContact CB-O 3.45Å; G315-L336 PolarHBondContact N-O 2.83Å; G315-L336 PolarHBondContact O-N 3.46Å; Y317-L336 HydrophobicContact CD2-CB 3.84Å; Y317-L336 HydrophobicContact CE2-CB 3.63Å; Y317-L336 HydrophobicContact CE2-CD2 3.73Å; Y317-L336 HydrophobicContact CE2-CG 4.31Å; Y334-L336 PolarHBondContact O-N 3.16Å; L336-V338 HydrophobicContact CD1-CG2 4.41Å; L336-V338 HydrophobicContact CD2-CG2 4.2Å; L336-V338 HydrophobicContact CG-CG2 3.95Å |
| 337 | V | 83.2 | Confident | 82.9 | Confident | 53 Ų | 53 | 59.9 Ų | 59.9 | 32% | 0.321 | 33% | 0.327 | S | S | . | . | trans | -112.6 | 114.2 | 173.3 | -177.7 | 0 | 0 | 0 | 0 | 109 | E335 Q339 K497 | E335-V337 HydrophobicContact CG-CG2 4.14Å; V337-Q339 HydrophobicContact CG1-CG 4.31Å; V337-K497 HydrophobicContact CG1-CG 4.25Å | ||
| 338 | V | 86.8 | Confident | 83 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 127 | -179.3 | -175.4 | 0 | 0 | 0 | 0 | 109.7 | V244 V309 S314 L336 | V244-V338 HydrophobicContact CG1-CG2 4.4Å; V244-V338 CarbonylContact O-C 3.58Å; V244-V338 WeakPolarHBondContact O-CA 3.35Å; V309-V338 HydrophobicContact CB-CG1 4.48Å; V309-V338 HydrophobicContact CG1-CB 4.04Å; V309-V338 HydrophobicContact CG1-CG1 3.59Å; V309-V338 HydrophobicContact CG1-CG2 3.25Å; S314-V338 WeakPolarHBondContact OG-CB 3.4Å; S314-V338 PolarHBondContact OG-N 3.09Å; L336-V338 HydrophobicContact CD1-CG2 4.41Å; L336-V338 HydrophobicContact CD2-CG2 4.2Å; L336-V338 HydrophobicContact CG-CG2 3.95Å |
| 339 | Q | 85.5 | Confident | 82.5 | Confident | 6 Ų | 6 | 65 Ų | 65 | 3% | 0.028 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 137 | -174.6 | -47.2 | -160.2 | 26.6 | 0 | 0 | 112.3 | T243 V244 F245 E246 V337 F372 K497 | T243-Q339 HydrophobicContact CG2-CG 4.17Å; T243-Q339 VanDerWaalsContact CG2-NE2 3.27Å; V244-Q339 PolarHBondContact O-N 3.3Å; F245-Q339 CarbonylContact C-O 3.58Å; F245-Q339 WeakPolarHBondContact CA-O 3.32Å; F245-Q339 WeakPolarHBondContact CB-O 3.45Å; F245-Q339 HydrophobicContact CD1-CB 4.23Å; F245-Q339 HydrophobicContact CE1-CB 4.48Å; E246-Q339 PolarHBondContact N-O 3.15Å; V337-Q339 HydrophobicContact CG1-CG 4.31Å; Q339-F372 HydrophobicContact CB-CE1 3.69Å; Q339-F372 HydrophobicContact CB-CZ 4.35Å; Q339-F372 HydrophobicContact CG-CE1 4.38Å; Q339-K497 HydrophobicContact CB-CD 4.1Å; Q339-K497 HydrophobicContact CG-CD 3.79Å; Q339-K497 HydrophobicContact CG-CG 4.19Å |
| 340 | R | 85.6 | Confident | 81.6 | Confident | 157 Ų | 157 | 68.8 Ų | 68.8 | 59% | 0.592 | 35% | 0.352 | S | S | * | . | trans | -78 | 125.6 | 168.4 | -63.1 | -160 | 173.2 | 135.1 | 3.8 | 108.9 | E246 P311 | E246-R340 WeakPolarHBondContact OE2-CD 3.06Å; E246-R340 VanDerWaalsContact OE2-CG 3.27Å; E246-R340 WeakPolarHBondContact OE2-CG 3.43Å; E246-R340 IonicContact OE2-NE 2.7Å; E246-R340 PolarHBondContact OE2-NE 3.36Å; P311-R340 HydrophobicContact CG-CG 3.76Å | ||
| 341 | P | 86 | Confident | 80.7 | Confident | 37 Ų | 37 | 74 Ų | 74 | 24% | 0.24 | 38% | 0.375 | C | S | . | . | trans | -71.9 | 139.1 | 171 | 33.5 | -34.2 | 0 | 0 | 0 | 109.4 | F245 F372 R421 A422 | F245-P341 HydrophobicContact CD1-CB 4.04Å; P341-F372 CarbonylContact C-O 3.45Å; P341-F372 WeakPolarHBondContact CA-O 3.38Å; P341-R421 HydrophobicContact CB-CG 3.89Å; P341-R421 HydrophobicContact CG-CG 4.45Å; P341-A422 HydrophobicContact CB-CB 3.89Å; P341-A422 HydrophobicContact CG-CB 4.22Å | ||
| 342 | L | 88.8 | Confident | 79.8 | Confident | 89 Ų | 89 | 74.8 Ų | 74.8 | 47% | 0.466 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 118.7 | 177.4 | 178.7 | 62.9 | 0 | 0 | 0 | 108.6 | F345 F372 N420 | L342-F345 HydrophobicContact CD1-CE1 4.37Å; L342-F345 HydrophobicContact CD2-CE1 3.94Å; L342-F345 HydrophobicContact CG-CE1 4.25Å; L342-F372 HydrophobicContact CB-CB 3.99Å; L342-F372 PolarHBondContact N-O 3.23Å; L342-F372 PolarHBondContact O-N 3.49Å; L342-F372 VanDerWaalsContact O-O 3.12Å; L342-N420 PolarHBondContact O-ND2 3.21Å |
| 343 | A | 88.8 | Confident | 79.5 | Confident | 44 Ų | 44 | 73.6 Ų | 73.6 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 146.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | F345 A422 | A343-F345 PolarHBondContact O-N 2.74Å; A343-A422 HydrophobicContact CB-CB 3.98Å |
| 344 | P | 92 | Very high | 79.6 | Confident | 9 Ų | 9 | 75 Ų | 75 | 6% | 0.058 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 132.2 | -178.2 | -12.1 | 29.2 | 0 | 0 | 0 | 109.9 | S370 A371 P375 V418 N420 G423 T425 | P344-S370 WeakPolarHBondContact CA-O 3.43Å; P344-A371 VanDerWaalsContact CA-CB 3.48Å; P344-A371 HydrophobicContact CB-CB 3.59Å; P344-A371 HydrophobicContact CG-CB 3.75Å; P344-P375 HydrophobicContact CG-CB 4.26Å; P344-V418 HydrophobicContact CB-CB 4.29Å; P344-V418 HydrophobicContact CB-CG1 3.73Å; P344-V418 HydrophobicContact CG-CG1 4.19Å; P344-N420 WeakPolarHBondContact CD-OD1 3.38Å; P344-N420 HydrophobicContact CG-CB 4.15Å; P344-G423 VanDerWaalsContact CD-O 3.26Å; P344-G423 WeakPolarHBondContact CD-O 3.29Å; P344-T425 HydrophobicContact CB-CG2 3.84Å; P344-T425 WeakPolarHBondContact O-CB 3.36Å; P344-T425 VanDerWaalsContact O-CG2 3.26Å; P344-T425 WeakPolarHBondContact O-CG2 3.2Å |
| 345 | F | 89.4 | Confident | 79.7 | Confident | 73 Ų | 73 | 74.4 Ų | 74.4 | 32% | 0.32 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 152.2 | 174.1 | 69.8 | -83.5 | 0 | 0 | 0 | 109.9 | L342 A343 H347 A369 S370 | L342-F345 HydrophobicContact CD1-CE1 4.37Å; L342-F345 HydrophobicContact CD2-CE1 3.94Å; L342-F345 HydrophobicContact CG-CE1 4.25Å; A343-F345 PolarHBondContact O-N 2.74Å; F345-H347 AromaticContact CE2-CE1 3.47Å; F345-H347 VanDerWaalsContact CE2-CE1 3.47Å; F345-H347 WeakPolarHBondContact CE2-CE1 3.37Å; F345-H347 AromaticContact CE2-ND1 3.88Å; F345-H347 AromaticContact CE2-NE2 3.9Å; F345-H347 AromaticContact CZ-CE1 3.89Å; F345-A369 CarbonylContact O-C 3.52Å; F345-A369 WeakPolarHBondContact O-CA 3.47Å; F345-S370 VanDerWaalsContact CD1-O 3.25Å; F345-S370 WeakPolarHBondContact CD1-O 3.33Å; F345-S370 PolarHBondContact N-O 3.41Å; F345-S370 PolarHBondContact O-N 3.04Å |
| 346 | F | 86.9 | Confident | 80 | Confident | 10 Ų | 10 | 71.1 Ų | 71.1 | 4% | 0.044 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 138 | 175.8 | -57.3 | -78 | 0 | 0 | 0 | 111.2 | N348 C367 A369 V418 T425 R427 | F346-N348 PolarHBondContact O-N 3.29Å; F346-C367 WeakPolarHBondContact CE1-SG 3.46Å; F346-A369 HydrophobicContact CD1-CB 3.75Å; F346-A369 HydrophobicContact CE1-CB 3.63Å; F346-A369 HydrophobicContact CZ-CB 4.37Å; F346-V418 HydrophobicContact CE1-CG2 3.97Å; F346-V418 HydrophobicContact CZ-CB 4.46Å; F346-V418 HydrophobicContact CZ-CG2 3.79Å; F346-T425 HydrophobicContact CD2-CG2 3.92Å; F346-T425 HydrophobicContact CE2-CG2 3.38Å; F346-T425 WeakPolarHBondContact CE2-OG1 3.34Å; F346-T425 HydrophobicContact CZ-CG2 3.82Å; F346-R427 HydrophobicContact CD1-CB 4.4Å; F346-R427 HydrophobicContact CD2-CB 3.98Å; F346-R427 HydrophobicContact CE1-CB 4.03Å; F346-R427 HydrophobicContact CE2-CB 3.55Å; F346-R427 HydrophobicContact CG-CB 4.38Å; F346-R427 HydrophobicContact CZ-CB 3.58Å |
| 347 | H | 77.2 | Confident | 80.1 | Confident | 98 Ų | 98 | 71.6 Ų | 71.6 | 45% | 0.454 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -68.8 | 122.1 | 167.4 | -62.9 | -75.7 | 0 | 0 | 0 | 108.1 | F345 S370 R427 | F345-H347 AromaticContact CE2-CE1 3.47Å; F345-H347 VanDerWaalsContact CE2-CE1 3.47Å; F345-H347 WeakPolarHBondContact CE2-CE1 3.37Å; F345-H347 AromaticContact CE2-ND1 3.88Å; F345-H347 AromaticContact CE2-NE2 3.9Å; F345-H347 AromaticContact CZ-CE1 3.89Å; H347-S370 PolarHBondContact NE2-OG 3.46Å; H347-R427 PolarHBondContact O-NH2 3.4Å |
| 348 | N | 70.8 | Confident | 80.3 | Confident | 118 Ų | 118 | 73.7 Ų | 73.7 | 63% | 0.631 | 39% | 0.386 | S | S | * | . | trans | 75.4 | 82.9 | -173 | -50.3 | -14.9 | 0 | 0 | 0 | 114.8 | F346 N350 R427 | F346-N348 PolarHBondContact O-N 3.29Å; N348-N350 VanDerWaalsContact C-N 3.35Å; N348-N350 PolarHBondContact O-N 3.39Å; N348-R427 PolarHBondContact O-NH2 2.71Å | ||
| 349 | E | 60.7 | Low | 80.2 | Confident | 149 Ų | 149 | 77 Ų | 77 | 70% | 0.696 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -23.4 | -179.4 | -69.5 | -175 | 158.5 | 0 | 0 | 114.4 | ||
| 350 | N | 53.7 | Low | 80 | Confident | 161 Ų | 161 | 79.1 Ų | 79.1 | 86% | 0.861 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | 13.9 | -164.1 | -71.2 | -4.5 | 0 | 0 | 0 | 116.5 | N348 | N348-N350 VanDerWaalsContact C-N 3.35Å; N348-N350 PolarHBondContact O-N 3.39Å |
| 351 | E | 57.5 | Low | 80.2 | Confident | 135 Ų | 135 | 76.9 Ų | 76.9 | 63% | 0.631 | 41% | 0.41 | S | S | * | . | trans | -114.1 | 101.3 | 178.3 | -74.5 | -179.4 | 171.9 | 0 | 0 | 111.3 | T353 | E351-T353 PolarHBondContact O-N 2.83Å; E351-T353 PolarHBondContact O-OG1 2.72Å | ||
| 352 | S | 62.2 | Low | 80.3 | Confident | 97 Ų | 97 | 78.9 Ų | 78.9 | 68% | 0.678 | 42% | 0.423 | S | S | * | . | trans | -59.3 | 106 | 156.6 | 54.1 | 0 | 0 | 0 | 0 | 107.7 | V354 | S352-V354 PolarHBondContact O-N 2.9Å; S352-V354 VanDerWaalsContact O-N 3.11Å | ||
| 353 | T | 77.8 | Confident | 80.5 | Confident | 46 Ų | 46 | 75.5 Ų | 75.5 | 28% | 0.282 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 99.4 | -174.1 | -41.9 | 0 | 0 | 0 | 0 | 108.7 | E351 I355 Y429 T430 | E351-T353 PolarHBondContact O-N 2.83Å; E351-T353 PolarHBondContact O-OG1 2.72Å; T353-I355 HydrophobicContact CG2-CD1 4.08Å; T353-I355 HydrophobicContact CG2-CG1 3.8Å; T353-Y429 HydrophobicContact CG2-CD1 4.41Å; T353-T430 PolarHBondContact O-N 3.19Å |
| 354 | V | 84.2 | Confident | 80.6 | Confident | 92 Ų | 92 | 77.1 Ų | 77.1 | 56% | 0.558 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 121.2 | 168.3 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | S352 T430 | S352-V354 PolarHBondContact O-N 2.9Å; S352-V354 VanDerWaalsContact O-N 3.11Å; V354-T430 CarbonylContact C-O 3.47Å; V354-T430 WeakPolarHBondContact CA-O 3.18Å |
| 355 | I | 88.6 | Confident | 80.6 | Confident | 48 Ų | 48 | 76.8 Ų | 76.8 | 25% | 0.246 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120.2 | -179.6 | -56.4 | 174.7 | 0 | 0 | 0 | 108.1 | T353 V357 L365 Y429 T430 I431 S432 | T353-I355 HydrophobicContact CG2-CD1 4.08Å; T353-I355 HydrophobicContact CG2-CG1 3.8Å; I355-V357 HydrophobicContact CG2-CG2 3.95Å; I355-L365 HydrophobicContact CD1-CD2 3.56Å; I355-Y429 HydrophobicContact CD1-CD1 4.11Å; I355-T430 PolarHBondContact N-O 2.72Å; I355-I431 HydrophobicContact CB-CD1 3.76Å; I355-I431 HydrophobicContact CD1-CD1 4.01Å; I355-I431 HydrophobicContact CG1-CD1 4.26Å; I355-I431 HydrophobicContact CG2-CD1 4.41Å; I355-I431 WeakPolarHBondContact O-CA 3.34Å; I355-S432 PolarHBondContact O-N 3.44Å; I355-S432 PolarHBondContact O-OG 2.96Å |
| 356 | T | 88.1 | Confident | 80.6 | Confident | 68 Ų | 68 | 76.3 Ų | 76.3 | 42% | 0.417 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 120.4 | 174.7 | -51 | 0 | 0 | 0 | 0 | 109.4 | S432 E434 | T356-S432 CarbonylContact C-O 3.56Å; T356-S432 WeakPolarHBondContact CA-O 2.97Å; T356-S432 WeakPolarHBondContact CA-OG 3.14Å; T356-S432 PolarHBondContact OG1-OG 3.47Å; T356-S432 VanDerWaalsContact OG1-OG 3.11Å; T356-E434 HydrophobicContact CG2-CB 3.94Å; T356-E434 HydrophobicContact CG2-CG 3.56Å; T356-E434 WeakPolarHBondContact CG2-OE2 3.45Å |
| 357 | V | 89.4 | Confident | 80.7 | Confident | 12 Ų | 12 | 75.9 Ų | 75.9 | 7% | 0.073 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 139.9 | -178.3 | -173.1 | 0 | 0 | 0 | 0 | 109.1 | I355 H361 F363 A406 I431 S432 V433 E434 | I355-V357 HydrophobicContact CG2-CG2 3.95Å; V357-H361 HydrophobicContact CG1-CB 4.38Å; V357-F363 HydrophobicContact CB-CD1 4.38Å; V357-F363 HydrophobicContact CG1-CB 4.02Å; V357-F363 HydrophobicContact CG1-CD1 4Å; V357-F363 HydrophobicContact CG1-CG 4.39Å; V357-F363 HydrophobicContact CG2-CB 3.69Å; V357-F363 HydrophobicContact CG2-CD1 3.94Å; V357-F363 HydrophobicContact CG2-CG 3.82Å; V357-A406 HydrophobicContact CB-CB 4.24Å; V357-A406 HydrophobicContact CG1-CB 3.61Å; V357-I431 HydrophobicContact CG2-CG2 4.18Å; V357-S432 PolarHBondContact N-O 3.26Å; V357-V433 CarbonylContact O-C 3.56Å; V357-V433 WeakPolarHBondContact O-CA 3.35Å; V357-E434 PolarHBondContact O-N 3.21Å |
| 358 | Q | 86.3 | Confident | 81.1 | Confident | 96 Ų | 96 | 74.6 Ų | 74.6 | 45% | 0.449 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 142.5 | 175.5 | -67.5 | -65.5 | -54.4 | 0 | 0 | 110.9 | S360 H361 E434 | Q358-S360 PolarHBondContact O-N 3.22Å; Q358-H361 HydrophobicContact CB-CB 4.4Å; Q358-H361 WeakPolarHBondContact O-CB 3.48Å; Q358-H361 PolarHBondContact O-N 3.22Å; Q358-E434 CarbonylContact C-O 3.59Å; Q358-E434 VanDerWaalsContact CA-O 3.24Å; Q358-E434 WeakPolarHBondContact CA-O 3.46Å; Q358-E434 PolarHBondContact OE1-O 3.36Å |
| 359 | Y | 84.2 | Confident | 81.9 | Confident | 72 Ų | 72 | 69.5 Ų | 69.5 | 28% | 0.282 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 138.8 | 177.7 | -178.5 | -104.4 | 0 | 0 | 0 | 111.4 | H361 V433 E434 E437 | Y359-H361 PolarHBondContact O-N 3.01Å; Y359-H361 VanDerWaalsContact O-N 3.16Å; Y359-H361 PolarHBondContact O-ND1 3.17Å; Y359-V433 HydrophobicContact CD2-CG1 4.4Å; Y359-E434 PolarHBondContact N-O 3.12Å; Y359-E437 HydrophobicContact CD1-CG 4.44Å; Y359-E437 HydrophobicContact CE1-CG 3.9Å; Y359-E437 WeakPolarHBondContact CE1-OE1 3.42Å; Y359-E437 PolarHBondContact OH-OE1 3Å |
| 360 | S | 82.8 | Confident | 83.2 | Confident | 50 Ų | 50 | 64.1 Ų | 64.1 | 35% | 0.35 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 4.5 | -176.5 | -163.6 | 0 | 0 | 0 | 0 | 116.8 | Q358 R405 A406 | Q358-S360 PolarHBondContact O-N 3.22Å; S360-R405 PolarHBondContact OG-NE 2.97Å; S360-A406 WeakPolarHBondContact CA-O 3.04Å; S360-A406 PolarHBondContact N-O 3.44Å |
| 361 | H | 88.5 | Confident | 84.8 | Confident | 110 Ų | 110 | 57.6 Ų | 57.6 | 51% | 0.509 | 32% | 0.319 | S | S | . | . | trans | -91.3 | 145.3 | 176 | -68.7 | 68.1 | 0 | 0 | 0 | 111.4 | V357 Q358 Y359 A406 | V357-H361 HydrophobicContact CG1-CB 4.38Å; Q358-H361 HydrophobicContact CB-CB 4.4Å; Q358-H361 WeakPolarHBondContact O-CB 3.48Å; Q358-H361 PolarHBondContact O-N 3.22Å; Y359-H361 PolarHBondContact O-N 3.01Å; Y359-H361 VanDerWaalsContact O-N 3.16Å; Y359-H361 PolarHBondContact O-ND1 3.17Å; H361-A406 WeakPolarHBondContact O-CB 3.45Å; H361-A406 PolarHBondContact O-N 3.33Å | ||
| 362 | P | 89.5 | Confident | 86 | Confident | 80 Ų | 80 | 53.2 Ų | 53.2 | 52% | 0.519 | 30% | 0.298 | S | S | . | . | trans | -71.3 | 150 | 173.9 | 28.4 | -33.5 | 0 | 0 | 0 | 111.3 | V403 L404 | P362-V403 CarbonylContact C-O 3.56Å; P362-V403 VanDerWaalsContact CA-O 3.22Å; P362-V403 WeakPolarHBondContact CA-O 3.1Å; P362-V403 WeakPolarHBondContact CB-O 3.37Å; P362-L404 WeakPolarHBondContact CB-O 3.3Å | ||
| 363 | F | 92.1 | Very high | 87 | Confident | 17 Ų | 17 | 50 Ų | 50 | 8% | 0.075 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 157 | 169.3 | 69.4 | -88.5 | 0 | 0 | 0 | 111.8 | V357 L365 V403 A406 D410 I431 | V357-F363 HydrophobicContact CB-CD1 4.38Å; V357-F363 HydrophobicContact CG1-CB 4.02Å; V357-F363 HydrophobicContact CG1-CD1 4Å; V357-F363 HydrophobicContact CG1-CG 4.39Å; V357-F363 HydrophobicContact CG2-CB 3.69Å; V357-F363 HydrophobicContact CG2-CD1 3.94Å; V357-F363 HydrophobicContact CG2-CG 3.82Å; F363-L365 HydrophobicContact CD2-CD2 4.14Å; F363-L365 HydrophobicContact CD2-CG 4.31Å; F363-L365 HydrophobicContact CE2-CD1 4.47Å; F363-L365 HydrophobicContact CE2-CD2 4.4Å; F363-L365 HydrophobicContact CE2-CG 4.31Å; F363-V403 HydrophobicContact CD1-CB 3.86Å; F363-V403 HydrophobicContact CD1-CG1 4.27Å; F363-V403 HydrophobicContact CD2-CB 4.44Å; F363-V403 HydrophobicContact CD2-CG2 4.44Å; F363-V403 HydrophobicContact CE1-CB 3.48Å; F363-V403 VanDerWaalsContact CE1-CB 3.48Å; F363-V403 HydrophobicContact CE1-CG1 3.64Å; F363-V403 HydrophobicContact CE1-CG2 3.87Å; F363-V403 HydrophobicContact CE2-CB 4.09Å; F363-V403 HydrophobicContact CE2-CG2 3.73Å; F363-V403 HydrophobicContact CG-CB 4.34Å; F363-V403 HydrophobicContact CZ-CB 3.61Å; F363-V403 HydrophobicContact CZ-CG1 4.04Å; F363-V403 HydrophobicContact CZ-CG2 3.41Å; F363-V403 VanDerWaalsContact CZ-CG2 3.41Å; F363-V403 PolarHBondContact N-O 3.13Å; F363-V403 PolarHBondContact O-N 2.73Å; F363-A406 HydrophobicContact CD1-CB 3.98Å; F363-A406 HydrophobicContact CE1-CB 4.1Å; F363-D410 HydrophobicContact CE1-CB 4.34Å; F363-I431 HydrophobicContact CE1-CG2 4.31Å; F363-I431 HydrophobicContact CE2-CD1 4.28Å; F363-I431 HydrophobicContact CE2-CG1 4.1Å; F363-I431 HydrophobicContact CE2-CG2 4.21Å; F363-I431 HydrophobicContact CZ-CG1 4.45Å; F363-I431 HydrophobicContact CZ-CG2 3.97Å |
| 364 | E | 91.3 | Very high | 87.1 | Confident | 78 Ų | 78 | 56.1 Ų | 56.1 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 134.4 | -177.1 | -169.3 | 177.8 | 139.8 | 0 | 0 | 110.4 | R400 L401 K402 | E364-R400 VanDerWaalsContact OE1-CD 3.23Å; E364-R400 WeakPolarHBondContact OE1-CD 3.27Å; E364-R400 IonicContact OE1-CZ 2.94Å; E364-R400 IonicContact OE1-NE 3.49Å; E364-R400 IonicContact OE1-NH1 3.26Å; E364-R400 PolarHBondContact OE1-NH1 3.41Å; E364-R400 IonicContact OE2-NH1 2.75Å; E364-L401 CarbonylContact C-O 3.57Å; E364-L401 VanDerWaalsContact CA-O 3.28Å; E364-L401 WeakPolarHBondContact CA-O 2.77Å; E364-K402 HydrophobicContact CB-CG 4.49Å; E364-K402 HydrophobicContact CG-CB 4.12Å; E364-K402 HydrophobicContact CG-CG 4.47Å |
| 365 | L | 92.1 | Very high | 87.3 | Confident | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 121.5 | 176.6 | -50.5 | -178.2 | 0 | 0 | 0 | 109 | I355 F363 W379 R400 L401 Y414 Y429 I431 | I355-L365 HydrophobicContact CD1-CD2 3.56Å; F363-L365 HydrophobicContact CD2-CD2 4.14Å; F363-L365 HydrophobicContact CD2-CG 4.31Å; F363-L365 HydrophobicContact CE2-CD1 4.47Å; F363-L365 HydrophobicContact CE2-CD2 4.4Å; F363-L365 HydrophobicContact CE2-CG 4.31Å; L365-W379 HydrophobicContact CB-CH2 3.48Å; L365-W379 VanDerWaalsContact CB-CH2 3.48Å; L365-W379 HydrophobicContact CB-CZ2 4.21Å; L365-W379 HydrophobicContact CB-CZ3 3.95Å; L365-W379 HydrophobicContact CD1-CH2 4.34Å; L365-W379 HydrophobicContact CD1-CZ3 3.92Å; L365-R400 WeakPolarHBondContact O-CA 3.35Å; L365-L401 HydrophobicContact CB-CB 4.38Å; L365-L401 HydrophobicContact CD1-CD2 4.2Å; L365-L401 PolarHBondContact N-O 2.93Å; L365-L401 PolarHBondContact O-N 3.34Å; L365-Y414 HydrophobicContact CD1-CD1 4.18Å; L365-Y414 HydrophobicContact CD1-CD2 4.42Å; L365-Y414 HydrophobicContact CD1-CG 3.82Å; L365-Y429 HydrophobicContact CD1-CD2 4.46Å; L365-Y429 HydrophobicContact CD1-CG 4.27Å; L365-Y429 HydrophobicContact CD2-CD1 4.31Å; L365-Y429 HydrophobicContact CD2-CG 4.4Å; L365-I431 HydrophobicContact CD1-CD1 4.33Å; L365-I431 HydrophobicContact CD2-CD1 3.74Å |
| 366 | D | 89 | Confident | 87.2 | Confident | 64 Ų | 64 | 56.1 Ų | 56.1 | 34% | 0.342 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 115.5 | 175.1 | -177.1 | 17.9 | 0 | 0 | 0 | 110.5 | N368 R399 R400 Y429 | D366-N368 PolarHBondContact O-N 3.06Å; D366-R399 IonicContact OD1-CZ 3.1Å; D366-R399 IonicContact OD1-NE 2.91Å; D366-R399 PolarHBondContact OD1-NE 2.73Å; D366-R399 IonicContact OD1-NH2 3.96Å; D366-R399 PolarHBondContact OD1-NH2 3.14Å; D366-R399 IonicContact OD2-CZ 2.8Å; D366-R399 IonicContact OD2-NE 2.77Å; D366-R399 IonicContact OD2-NH2 2.65Å; D366-R399 PolarHBondContact OD2-NH2 3.46Å; D366-R400 HydrophobicContact CB-CG 4.23Å; D366-Y429 PolarHBondContact O-OH 3.04Å |
| 367 | C | 89.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -92.7 | 81.2 | 176.9 | -174 | 0 | 0 | 0 | 0 | 110.5 | F346 A369 F377 W379 R399 C416 V418 | F346-C367 WeakPolarHBondContact CE1-SG 3.46Å; C367-A369 PolarHBondContact O-N 2.8Å; C367-F377 HydrophobicContact CB-CD1 4.4Å; C367-F377 VanDerWaalsContact O-CE1 3.29Å; C367-F377 WeakPolarHBondContact O-CE1 3.36Å; C367-W379 HydrophobicContact CB-CH2 3.88Å; C367-W379 HydrophobicContact CB-CZ2 3.57Å; C367-R399 VanDerWaalsContact CB-O 3.31Å; C367-R399 WeakPolarHBondContact CB-O 3.44Å; C367-R399 PolarHBondContact N-O 2.93Å; C367-C416 HydrophobicContact CB-CB 3.61Å; C367-C416 WeakPolarHBondContact CB-SG 3.36Å; C367-C416 WeakPolarHBondContact SG-CB 3.44Å; C367-C416 CovalentContact SG-SG 2Å; C367-C416 PolarHBondContact SG-SG 3.4Å; C367-V418 WeakPolarHBondContact SG-CG2 3.15Å | ||
| 368 | N | 85.4 | Confident | 87.5 | Confident | 71 Ų | 71 | 55.9 Ų | 55.9 | 38% | 0.38 | 28% | 0.278 | S | S | . | . | trans | -88.7 | 84.2 | -177.1 | -168.2 | 18.5 | 0 | 0 | 0 | 112.2 | D366 R399 | D366-N368 PolarHBondContact O-N 3.06Å; N368-R399 PolarHBondContact OD1-NH2 3.39Å | ||
| 369 | A | 87.7 | Confident | 87.9 | Confident | 11 Ų | 11 | 51.5 Ų | 51.5 | 9% | 0.091 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 137.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F345 F346 C367 V418 | F345-A369 CarbonylContact O-C 3.52Å; F345-A369 WeakPolarHBondContact O-CA 3.47Å; F346-A369 HydrophobicContact CD1-CB 3.75Å; F346-A369 HydrophobicContact CE1-CB 3.63Å; F346-A369 HydrophobicContact CZ-CB 4.37Å; C367-A369 PolarHBondContact O-N 2.8Å; A369-V418 HydrophobicContact CB-CB 4.17Å; A369-V418 HydrophobicContact CB-CG1 3.8Å; A369-V418 HydrophobicContact CB-CG2 3.97Å |
| 370 | S | 88.3 | Confident | 88.3 | Confident | 37 Ų | 37 | 49.6 Ų | 49.6 | 26% | 0.259 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.1 | 169.5 | -67.8 | 0 | 0 | 0 | 0 | 109.6 | P344 F345 H347 | P344-S370 WeakPolarHBondContact CA-O 3.43Å; F345-S370 VanDerWaalsContact CD1-O 3.25Å; F345-S370 WeakPolarHBondContact CD1-O 3.33Å; F345-S370 PolarHBondContact N-O 3.41Å; F345-S370 PolarHBondContact O-N 3.04Å; H347-S370 PolarHBondContact NE2-OG 3.46Å |
| 371 | A | 87.1 | Confident | 88.6 | Confident | 23 Ų | 23 | 49.1 Ų | 49.1 | 19% | 0.19 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 156.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | P344 P375 N420 | P344-A371 VanDerWaalsContact CA-CB 3.48Å; P344-A371 HydrophobicContact CB-CB 3.59Å; P344-A371 HydrophobicContact CG-CB 3.75Å; A371-P375 HydrophobicContact CB-CB 3.96Å; A371-P375 HydrophobicContact CB-CG 3.77Å; A371-N420 WeakPolarHBondContact CB-ND2 3.38Å |
| 372 | F | 82.8 | Confident | 88.6 | Confident | 43 Ų | 43 | 48.1 Ų | 48.1 | 19% | 0.189 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 129.4 | 172.8 | -178.1 | -100.4 | 0 | 0 | 0 | 110.4 | T243 F245 Q339 P341 L342 N420 | T243-F372 HydrophobicContact CG2-CZ 4.44Å; F245-F372 HydrophobicContact CD1-CE1 4.1Å; F245-F372 HydrophobicContact CE1-CD1 4.02Å; F245-F372 AromaticContact CE1-CE1 3.35Å; F245-F372 HydrophobicContact CE1-CE1 3.35Å; F245-F372 AromaticContact CE1-CZ 3.8Å; F245-F372 HydrophobicContact CE1-CZ 3.8Å; F245-F372 HydrophobicContact CZ-CE1 4.22Å; F245-F372 HydrophobicContact CZ-CZ 4.23Å; Q339-F372 HydrophobicContact CB-CE1 3.69Å; Q339-F372 HydrophobicContact CB-CZ 4.35Å; Q339-F372 HydrophobicContact CG-CE1 4.38Å; P341-F372 CarbonylContact C-O 3.45Å; P341-F372 WeakPolarHBondContact CA-O 3.38Å; L342-F372 HydrophobicContact CB-CB 3.99Å; L342-F372 PolarHBondContact N-O 3.23Å; L342-F372 PolarHBondContact O-N 3.49Å; L342-F372 VanDerWaalsContact O-O 3.12Å; F372-N420 PolarHBondContact O-ND2 3.28Å |
| 373 | P | 82 | Confident | 88.4 | Confident | 31 Ų | 31 | 49.3 Ų | 49.3 | 20% | 0.201 | 25% | 0.253 | C | S | . | . | S | Bend | cis | -62.8 | 176.1 | -6.8 | 22.6 | -26.1 | 0 | 0 | 0 | 113 | F245 N420 R421 | F245-P373 HydrophobicContact CE1-CB 3.97Å; F245-P373 VanDerWaalsContact CE1-CD 3.48Å; F245-P373 HydrophobicContact CE1-CG 3.66Å; F245-P373 HydrophobicContact CE2-CG 4.31Å; F245-P373 HydrophobicContact CZ-CB 3.65Å; F245-P373 HydrophobicContact CZ-CG 3.53Å; P373-N420 PolarHBondContact O-ND2 3.43Å; P373-R421 HydrophobicContact CG-CG 3.95Å |
| 374 | R | 81.1 | Confident | 88.3 | Confident | 173 Ų | 173 | 53.2 Ų | 53.2 | 65% | 0.653 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -48.2 | 126.2 | -177.9 | -173 | 177.6 | -176.7 | 167.8 | 2.8 | 110.3 | N397 | R374-N397 PolarHBondContact NH2-ND2 3.37Š|
| 375 | P | 87.8 | Confident | 88.2 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 10% | 0.104 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -82.7 | 159.8 | -178.9 | 33.5 | -33.3 | 0 | 0 | 0 | 111.8 | P344 A371 F377 V418 E419 N420 | P344-P375 HydrophobicContact CG-CB 4.26Å; A371-P375 HydrophobicContact CB-CB 3.96Å; A371-P375 HydrophobicContact CB-CG 3.77Å; P375-F377 HydrophobicContact CG-CE2 3.78Å; P375-F377 HydrophobicContact CG-CZ 3.78Å; P375-V418 HydrophobicContact CB-CG1 3.41Å; P375-V418 VanDerWaalsContact CB-CG1 3.41Å; P375-V418 HydrophobicContact CG-CG1 3.68Å; P375-E419 CarbonylContact C-O 3.59Å; P375-E419 VanDerWaalsContact CA-O 3.27Å; P375-E419 WeakPolarHBondContact CA-O 3.47Å; P375-E419 WeakPolarHBondContact CB-O 3.34Å; P375-N420 HydrophobicContact CB-CB 4.1Å |
| 376 | K | 86.8 | Confident | 88 | Confident | 124 Ų | 124 | 58.5 Ų | 58.5 | 54% | 0.539 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 134.8 | 169.8 | 175.9 | 176.4 | 161.2 | -136.9 | 0 | 109.3 | V418 E419 | K376-V418 WeakPolarHBondContact O-CA 3.32Å; K376-E419 HydrophobicContact CB-CG 3.99Å; K376-E419 HydrophobicContact CD-CG 4.48Å; K376-E419 WeakPolarHBondContact CD-OE1 3.15Å; K376-E419 HydrophobicContact CG-CG 4.46Å; K376-E419 PolarHBondContact N-O 2.93Å; K376-E419 IonicContact NZ-OE1 3.68Å; K376-E419 PolarHBondContact NZ-OE1 2.92Å; K376-E419 PolarHBondContact O-N 2.77Å |
| 377 | F | 92.1 | Very high | 87.8 | Confident | 32 Ų | 32 | 59.9 Ų | 59.9 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 137.9 | -177.9 | -64.6 | -96 | 0 | 0 | 0 | 111 | C367 P375 G398 R399 V418 | C367-F377 HydrophobicContact CB-CD1 4.4Å; C367-F377 VanDerWaalsContact O-CE1 3.29Å; C367-F377 WeakPolarHBondContact O-CE1 3.36Å; P375-F377 HydrophobicContact CG-CE2 3.78Å; P375-F377 HydrophobicContact CG-CZ 3.78Å; F377-G398 WeakPolarHBondContact CB-O 3.38Å; F377-R399 HydrophobicContact CD1-CB 4.39Å; F377-R399 HydrophobicContact CD2-CB 4.47Å; F377-R399 HydrophobicContact CE1-CB 4.35Å; F377-R399 HydrophobicContact CE1-CG 4.25Å; F377-R399 HydrophobicContact CE2-CB 4.42Å; F377-R399 HydrophobicContact CG-CB 4.47Å; F377-R399 HydrophobicContact CZ-CB 4.36Å; F377-R399 HydrophobicContact CZ-CG 4.36Å; F377-V418 HydrophobicContact CD1-CB 4.5Å; F377-V418 HydrophobicContact CD1-CG1 4.26Å; F377-V418 HydrophobicContact CD1-CG2 3.61Å; F377-V418 HydrophobicContact CE1-CG1 3.97Å; F377-V418 HydrophobicContact CE1-CG2 3.7Å; F377-V418 HydrophobicContact CZ-CG1 4.29Å |
| 378 | E | 92.2 | Very high | 87.6 | Confident | 43 Ų | 43 | 64.2 Ų | 64.2 | 20% | 0.201 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 132.9 | 177 | 179 | 164.3 | -127.8 | 0 | 0 | 110.4 | R385 K417 | E378-R385 HydrophobicContact CG-CG 4.48Å; E378-R385 WeakPolarHBondContact OE1-CD 3.43Å; E378-R385 IonicContact OE1-CZ 3.96Å; E378-R385 IonicContact OE1-NE 2.77Å; E378-R385 PolarHBondContact OE1-NE 2.97Å; E378-R385 IonicContact OE1-NH2 2.73Å; E378-K417 HydrophobicContact CB-CB 4.42Å; E378-K417 PolarHBondContact N-O 3.05Å; E378-K417 PolarHBondContact O-N 2.86Å |
| 379 | W | 94.5 | Very high | 87.6 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.015 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 137.2 | 178 | -73.4 | 96.4 | 0 | 0 | 0 | 111.1 | L365 C367 L386 G398 L401 T415 C416 Y429 | L365-W379 HydrophobicContact CB-CH2 3.48Å; L365-W379 VanDerWaalsContact CB-CH2 3.48Å; L365-W379 HydrophobicContact CB-CZ2 4.21Å; L365-W379 HydrophobicContact CB-CZ3 3.95Å; L365-W379 HydrophobicContact CD1-CH2 4.34Å; L365-W379 HydrophobicContact CD1-CZ3 3.92Å; C367-W379 HydrophobicContact CB-CH2 3.88Å; C367-W379 HydrophobicContact CB-CZ2 3.57Å; W379-L386 HydrophobicContact CB-CB 4.19Å; W379-L386 HydrophobicContact CB-CD1 4.02Å; W379-L386 PolarHBondContact O-N 3.22Å; W379-G398 VanDerWaalsContact CD1-O 3.29Å; W379-G398 PolarHBondContact NE1-O 2.97Å; W379-L401 HydrophobicContact CD2-CB 3.79Å; W379-L401 HydrophobicContact CD2-CD2 4.13Å; W379-L401 HydrophobicContact CD2-CG 4.44Å; W379-L401 HydrophobicContact CE3-CB 4.27Å; W379-L401 HydrophobicContact CE3-CD2 4.06Å; W379-L401 HydrophobicContact CG-CB 4.16Å; W379-L401 HydrophobicContact CG-CD1 4.33Å; W379-L401 HydrophobicContact CG-CD2 4.39Å; W379-L401 HydrophobicContact CH2-CB 4.37Å; W379-L401 HydrophobicContact CZ2-CB 3.91Å; W379-T415 CarbonylContact C-O 3.5Å; W379-T415 WeakPolarHBondContact CA-O 3.49Å; W379-C416 HydrophobicContact CD2-CB 4.19Å; W379-C416 HydrophobicContact CE3-CB 3.84Å; W379-C416 HydrophobicContact CH2-CB 3.71Å; W379-C416 HydrophobicContact CZ2-CB 4.05Å; W379-C416 HydrophobicContact CZ3-CB 3.6Å; W379-Y429 HydrophobicContact CH2-CD2 4.22Å; W379-Y429 AromaticContact CH2-CE2 3.84Å; W379-Y429 HydrophobicContact CH2-CE2 3.84Å; W379-Y429 AromaticContact CZ3-CD2 3.88Å; W379-Y429 HydrophobicContact CZ3-CD2 3.88Å; W379-Y429 AromaticContact CZ3-CE2 3.91Å; W379-Y429 HydrophobicContact CZ3-CE2 3.91Å |
| 380 | L | 92.4 | Very high | 87.1 | Confident | 32 Ų | 32 | 69.2 Ų | 69.2 | 17% | 0.168 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 141.3 | 172.7 | -50.1 | 96.3 | 0 | 0 | 0 | 109.7 | T384 Y414 T415 K417 | L380-T384 CarbonylContact C-O 3.53Å; L380-T384 WeakPolarHBondContact CA-O 3.47Å; L380-Y414 CarbonylContact O-C 3.58Å; L380-Y414 VanDerWaalsContact O-CA 3.26Å; L380-Y414 WeakPolarHBondContact O-CA 3.42Å; L380-T415 HydrophobicContact CD1-CG2 4.19Å; L380-T415 PolarHBondContact N-O 3.49Å; L380-T415 PolarHBondContact O-N 3.21Å; L380-K417 HydrophobicContact CD1-CB 4Å |
| 381 | K | 90 | Very high | 86.9 | Confident | 40 Ų | 40 | 69 Ų | 69 | 17% | 0.174 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 122.6 | 168.7 | -179.4 | -178.4 | -179.8 | -177.8 | 0 | 107.8 | S383 T384 L386 E409 D410 I413 Y414 | K381-S383 PolarHBondContact O-N 3.07Å; K381-T384 PolarHBondContact N-O 3.23Å; K381-T384 WeakPolarHBondContact O-CB 3.44Å; K381-T384 PolarHBondContact O-N 3.45Å; K381-L386 HydrophobicContact CB-CD1 3.77Å; K381-L386 HydrophobicContact CB-CD2 3.71Å; K381-L386 HydrophobicContact CB-CG 3.69Å; K381-L386 HydrophobicContact CD-CD2 4.28Å; K381-E409 PolarHBondContact NZ-O 3.47Å; K381-D410 IonicContact NZ-OD1 3.77Å; K381-I413 CarbonylContact C-O 3.57Å; K381-I413 WeakPolarHBondContact CA-O 3.35Å; K381-Y414 HydrophobicContact CB-CD1 4.24Å; K381-Y414 HydrophobicContact CB-CE1 4.13Å; K381-Y414 HydrophobicContact CD-CE1 3.91Å; K381-Y414 HydrophobicContact CD-CE2 4.39Å; K381-Y414 WeakPolarHBondContact CD-OH 3.27Å; K381-Y414 VanDerWaalsContact CE-OH 3.31Å; K381-Y414 WeakPolarHBondContact CE-OH 3.3Å; K381-Y414 HydrophobicContact CG-CD1 4.42Å; K381-Y414 HydrophobicContact CG-CE1 4.02Å; K381-Y414 HydrophobicContact CG-CE2 4.28Å; K381-Y414 PolarHBondContact NZ-OH 3.46Å |
| 382 | N | 87.5 | Confident | 87.1 | Confident | 89 Ų | 89 | 68.7 Ų | 68.7 | 48% | 0.476 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 50.8 | -175 | -58.4 | -26.6 | 0 | 0 | 0 | 111.2 | T384 I413 | N382-T384 PolarHBondContact O-N 3.19Å; N382-T384 VanDerWaalsContact O-N 3.08Å; N382-I413 PolarHBondContact N-O 2.9Å; N382-I413 PolarHBondContact OD1-N 2.62Å |
| 383 | S | 86.3 | Confident | 87.4 | Confident | 105 Ų | 105 | 70.4 Ų | 70.4 | 73% | 0.734 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 5.5 | -177.8 | -50.4 | 0 | 0 | 0 | 0 | 116.7 | K381 | K381-S383 PolarHBondContact O-N 3.07Š|
| 384 | T | 89.5 | Confident | 87.8 | Confident | 100 Ų | 100 | 71.4 Ų | 71.4 | 61% | 0.613 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 130.9 | 176.9 | -51.6 | 0 | 0 | 0 | 0 | 110.6 | L380 K381 N382 L386 | L380-T384 CarbonylContact C-O 3.53Å; L380-T384 WeakPolarHBondContact CA-O 3.47Å; K381-T384 PolarHBondContact N-O 3.23Å; K381-T384 WeakPolarHBondContact O-CB 3.44Å; K381-T384 PolarHBondContact O-N 3.45Å; N382-T384 PolarHBondContact O-N 3.19Å; N382-T384 VanDerWaalsContact O-N 3.08Å; T384-L386 PolarHBondContact O-N 3.36Å |
| 385 | R | 89.3 | Confident | 88 | Confident | 167 Ų | 167 | 65.6 Ų | 65.6 | 63% | 0.63 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 123.3 | 179.7 | -171.6 | -176.4 | -168.2 | -140 | -5.6 | 111.2 | E378 | E378-R385 HydrophobicContact CG-CG 4.48Å; E378-R385 WeakPolarHBondContact OE1-CD 3.43Å; E378-R385 IonicContact OE1-CZ 3.96Å; E378-R385 IonicContact OE1-NE 2.77Å; E378-R385 PolarHBondContact OE1-NE 2.97Å; E378-R385 IonicContact OE1-NH2 2.73Å |
| 386 | L | 87.7 | Confident | 87.9 | Confident | 23 Ų | 23 | 66.4 Ų | 66.4 | 12% | 0.12 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 128.4 | 176.5 | -80.7 | 166.4 | 0 | 0 | 0 | 110.6 | W379 K381 T384 I392 L401 Y414 | W379-L386 HydrophobicContact CB-CB 4.19Å; W379-L386 HydrophobicContact CB-CD1 4.02Å; W379-L386 PolarHBondContact O-N 3.22Å; K381-L386 HydrophobicContact CB-CD1 3.77Å; K381-L386 HydrophobicContact CB-CD2 3.71Å; K381-L386 HydrophobicContact CB-CG 3.69Å; K381-L386 HydrophobicContact CD-CD2 4.28Å; T384-L386 PolarHBondContact O-N 3.36Å; L386-I392 HydrophobicContact CD2-CD1 4.15Å; L386-L401 HydrophobicContact CD1-CD1 4.41Å; L386-L401 HydrophobicContact CD1-CD2 3.77Å; L386-Y414 HydrophobicContact CD1-CD1 3.61Å; L386-Y414 HydrophobicContact CD1-CE1 3.81Å |
| 387 | T | 85.1 | Confident | 87.7 | Confident | 93 Ų | 93 | 66.2 Ų | 66.2 | 57% | 0.571 | 37% | 0.371 | S | S | * | . | trans | -105.9 | 146.9 | 168.8 | 53 | 0 | 0 | 0 | 0 | 110.3 | S389 | T387-S389 PolarHBondContact O-N 3.07Š| ||
| 388 | P | 84 | Confident | 87.4 | Confident | 91 Ų | 91 | 65 Ų | 65 | 59% | 0.591 | 37% | 0.368 | S | S | * | . | trans | -55.2 | 137.4 | 175.1 | -22 | 32.1 | 0 | 0 | 0 | 111.7 | I392 I394 | P388-I392 WeakPolarHBondContact CA-O 3.23Å; P388-I394 HydrophobicContact CG-CB 4.35Å; P388-I394 HydrophobicContact CG-CD1 4.02Å; P388-I394 HydrophobicContact CG-CG1 4.19Å | ||
| 389 | S | 85 | Confident | 87.3 | Confident | 55 Ų | 55 | 66.5 Ų | 66.5 | 39% | 0.385 | 37% | 0.372 | S | S | . | . | B | Isolated β-bridge | trans | -141.7 | 169.4 | 179.2 | 75 | 0 | 0 | 0 | 0 | 110 | T387 G391 I392 | T387-S389 PolarHBondContact O-N 3.07Å; S389-G391 PolarHBondContact O-N 3.33Å; S389-I392 PolarHBondContact N-O 2.99Å; S389-I392 CarbonylContact O-C 3.57Å; S389-I392 PolarHBondContact O-N 3.38Å; S389-I392 PolarHBondContact OG-N 2.86Å |
| 390 | P | 78.5 | Confident | 87.2 | Confident | 132 Ų | 132 | 68 Ų | 68 | 86% | 0.857 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -25.8 | -178.1 | -27 | 35.3 | 0 | 0 | 0 | 114.7 | L404 | P390-L404 WeakPolarHBondContact O-CD1 3.49Š|
| 391 | G | 84 | Confident | 87.2 | Confident | 32 Ų | 32 | 66.4 Ų | 66.4 | 33% | 0.33 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -13.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | S389 V403 L404 | S389-G391 PolarHBondContact O-N 3.33Å; G391-V403 CarbonylContact O-C 3.45Å; G391-V403 WeakPolarHBondContact O-CA 3.29Å; G391-L404 PolarHBondContact O-N 3.04Å |
| 392 | I | 89.6 | Confident | 87.3 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 9% | 0.092 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 113.7 | -172.7 | -56.1 | -178.6 | 0 | 0 | 0 | 110 | L386 P388 S389 L401 K402 V403 | L386-I392 HydrophobicContact CD2-CD1 4.15Å; P388-I392 WeakPolarHBondContact CA-O 3.23Å; S389-I392 PolarHBondContact N-O 2.99Å; S389-I392 CarbonylContact O-C 3.57Å; S389-I392 PolarHBondContact O-N 3.38Å; S389-I392 PolarHBondContact OG-N 2.86Å; I392-L401 HydrophobicContact CG2-CD1 3.46Å; I392-L401 VanDerWaalsContact CG2-CD1 3.46Å; I392-L401 HydrophobicContact CG2-CG 4.28Å; I392-K402 CarbonylContact C-O 3.37Å; I392-K402 WeakPolarHBondContact CA-O 3.03Å; I392-V403 HydrophobicContact CG1-CG2 4.26Å |
| 393 | Q | 90 | Very high | 87.5 | Confident | 78 Ų | 78 | 62.5 Ų | 62.5 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 133.3 | 177.6 | -63.2 | 179.6 | -6.3 | 0 | 0 | 110.7 | L395 K402 | Q393-L395 HydrophobicContact CB-CD2 4.23Å; Q393-L395 HydrophobicContact CB-CG 4.44Å; Q393-K402 HydrophobicContact CB-CB 4.36Å; Q393-K402 PolarHBondContact N-O 3.12Å; Q393-K402 PolarHBondContact O-N 3.19Å |
| 394 | I | 89.7 | Confident | 87.5 | Confident | 53 Ų | 53 | 60.9 Ų | 60.9 | 27% | 0.272 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 117.3 | 170.3 | -59.9 | 179.6 | 0 | 0 | 0 | 107.7 | P388 G398 L401 | P388-I394 HydrophobicContact CG-CB 4.35Å; P388-I394 HydrophobicContact CG-CD1 4.02Å; P388-I394 HydrophobicContact CG-CG1 4.19Å; I394-G398 VanDerWaalsContact CG2-CA 3.47Å; I394-L401 HydrophobicContact CG1-CD1 3.74Å |
| 395 | L | 86.9 | Confident | 87.3 | Confident | 51 Ų | 51 | 62.6 Ų | 62.6 | 27% | 0.267 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 163.7 | -172.6 | -55.9 | 176.1 | 0 | 0 | 0 | 110.9 | Q393 N397 G398 R399 R400 K402 | Q393-L395 HydrophobicContact CB-CD2 4.23Å; Q393-L395 HydrophobicContact CB-CG 4.44Å; L395-N397 PolarHBondContact O-N 3.37Å; L395-G398 PolarHBondContact O-N 3.38Å; L395-G398 VanDerWaalsContact O-N 3.16Å; L395-R399 PolarHBondContact O-N 2.87Å; L395-R400 HydrophobicContact CB-CB 4.21Å; L395-R400 PolarHBondContact N-O 3.08Å; L395-R400 PolarHBondContact O-N 2.83Å; L395-K402 HydrophobicContact CD1-CB 4.14Å; L395-K402 HydrophobicContact CD1-CD 4.08Å |
| 396 | E | 84.7 | Confident | 87.1 | Confident | 33 Ų | 33 | 54.6 Ų | 54.6 | 15% | 0.154 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | 50.8 | 52.3 | 174.6 | -67.2 | -176.7 | 176.1 | 0 | 0 | 114.8 | G398 R399 R400 N744 | E396-G398 PolarHBondContact O-N 2.86Å; E396-R399 HydrophobicContact CB-CB 4.07Å; E396-R399 WeakPolarHBondContact O-CB 3.41Å; E396-R399 PolarHBondContact O-N 3.26Å; E396-R399 IonicContact OE2-NE 2.68Å; E396-R400 VanDerWaalsContact CD-NH2 3.27Å; E396-R400 IonicContact OE1-CZ 3.05Å; E396-R400 IonicContact OE1-NE 3.93Å; E396-R400 PolarHBondContact OE1-NE 2.78Å; E396-R400 IonicContact OE1-NH2 3.67Å; E396-R400 PolarHBondContact OE1-NH2 2.75Å; E396-R400 IonicContact OE2-CZ 2.73Å; E396-R400 IonicContact OE2-NE 3.92Å; E396-R400 PolarHBondContact OE2-NE 2.8Å; E396-R400 IonicContact OE2-NH2 2.79Å; E396-N744 VanDerWaalsContact OE1-O 3.12Å |
| 397 | N | 82.8 | Confident | 87 | Confident | 119 Ų | 119 | 55.2 Ų | 55.2 | 64% | 0.636 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | 54.7 | 36.5 | -179 | -63.6 | -4 | 0 | 0 | 0 | 113.8 | R374 L395 | R374-N397 PolarHBondContact NH2-ND2 3.37Å; L395-N397 PolarHBondContact O-N 3.37Å |
| 398 | G | 86.4 | Confident | 87 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 8% | 0.082 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | 97.6 | -10.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | F377 W379 I394 L395 E396 R400 | F377-G398 WeakPolarHBondContact CB-O 3.38Å; W379-G398 VanDerWaalsContact CD1-O 3.29Å; W379-G398 PolarHBondContact NE1-O 2.97Å; I394-G398 VanDerWaalsContact CG2-CA 3.47Å; L395-G398 PolarHBondContact O-N 3.38Å; L395-G398 VanDerWaalsContact O-N 3.16Å; E396-G398 PolarHBondContact O-N 2.86Å; G398-R400 PolarHBondContact O-N 2.73Å |
| 399 | R | 90.3 | Very high | 87 | Confident | 74 Ų | 74 | 60.8 Ų | 60.8 | 28% | 0.279 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -38.8 | -176.5 | -179.4 | -176.4 | 161.8 | 166.7 | -2.7 | 113.4 | D366 C367 N368 F377 L395 E396 | D366-R399 IonicContact OD1-CZ 3.1Å; D366-R399 IonicContact OD1-NE 2.91Å; D366-R399 PolarHBondContact OD1-NE 2.73Å; D366-R399 IonicContact OD1-NH2 3.96Å; D366-R399 PolarHBondContact OD1-NH2 3.14Å; D366-R399 IonicContact OD2-CZ 2.8Å; D366-R399 IonicContact OD2-NE 2.77Å; D366-R399 IonicContact OD2-NH2 2.65Å; D366-R399 PolarHBondContact OD2-NH2 3.46Å; C367-R399 VanDerWaalsContact CB-O 3.31Å; C367-R399 WeakPolarHBondContact CB-O 3.44Å; C367-R399 PolarHBondContact N-O 2.93Å; N368-R399 PolarHBondContact OD1-NH2 3.39Å; F377-R399 HydrophobicContact CD1-CB 4.39Å; F377-R399 HydrophobicContact CD2-CB 4.47Å; F377-R399 HydrophobicContact CE1-CB 4.35Å; F377-R399 HydrophobicContact CE1-CG 4.25Å; F377-R399 HydrophobicContact CE2-CB 4.42Å; F377-R399 HydrophobicContact CG-CB 4.47Å; F377-R399 HydrophobicContact CZ-CB 4.36Å; F377-R399 HydrophobicContact CZ-CG 4.36Å; L395-R399 PolarHBondContact O-N 2.87Å; E396-R399 HydrophobicContact CB-CB 4.07Å; E396-R399 WeakPolarHBondContact O-CB 3.41Å; E396-R399 PolarHBondContact O-N 3.26Å; E396-R399 IonicContact OE2-NE 2.68Å |
| 400 | R | 91.4 | Very high | 87.1 | Confident | 34 Ų | 34 | 59 Ų | 59 | 13% | 0.128 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135.7 | -174.7 | -62.5 | -167.1 | -71.9 | 141.2 | -3.1 | 111.3 | E364 L365 D366 L395 E396 G398 | E364-R400 VanDerWaalsContact OE1-CD 3.23Å; E364-R400 WeakPolarHBondContact OE1-CD 3.27Å; E364-R400 IonicContact OE1-CZ 2.94Å; E364-R400 IonicContact OE1-NE 3.49Å; E364-R400 IonicContact OE1-NH1 3.26Å; E364-R400 PolarHBondContact OE1-NH1 3.41Å; E364-R400 IonicContact OE2-NH1 2.75Å; L365-R400 WeakPolarHBondContact O-CA 3.35Å; D366-R400 HydrophobicContact CB-CG 4.23Å; L395-R400 HydrophobicContact CB-CB 4.21Å; L395-R400 PolarHBondContact N-O 3.08Å; L395-R400 PolarHBondContact O-N 2.83Å; E396-R400 VanDerWaalsContact CD-NH2 3.27Å; E396-R400 IonicContact OE1-CZ 3.05Å; E396-R400 IonicContact OE1-NE 3.93Å; E396-R400 PolarHBondContact OE1-NE 2.78Å; E396-R400 IonicContact OE1-NH2 3.67Å; E396-R400 PolarHBondContact OE1-NH2 2.75Å; E396-R400 IonicContact OE2-CZ 2.73Å; E396-R400 IonicContact OE2-NE 3.92Å; E396-R400 PolarHBondContact OE2-NE 2.8Å; E396-R400 IonicContact OE2-NH2 2.79Å; G398-R400 PolarHBondContact O-N 2.73Å |
| 401 | L | 93.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 121.8 | 174 | -177.5 | 75.4 | 0 | 0 | 0 | 109.2 | E364 L365 W379 L386 I392 I394 Y414 | E364-L401 CarbonylContact C-O 3.57Å; E364-L401 VanDerWaalsContact CA-O 3.28Å; E364-L401 WeakPolarHBondContact CA-O 2.77Å; L365-L401 HydrophobicContact CB-CB 4.38Å; L365-L401 HydrophobicContact CD1-CD2 4.2Å; L365-L401 PolarHBondContact N-O 2.93Å; L365-L401 PolarHBondContact O-N 3.34Å; W379-L401 HydrophobicContact CD2-CB 3.79Å; W379-L401 HydrophobicContact CD2-CD2 4.13Å; W379-L401 HydrophobicContact CD2-CG 4.44Å; W379-L401 HydrophobicContact CE3-CB 4.27Å; W379-L401 HydrophobicContact CE3-CD2 4.06Å; W379-L401 HydrophobicContact CG-CB 4.16Å; W379-L401 HydrophobicContact CG-CD1 4.33Å; W379-L401 HydrophobicContact CG-CD2 4.39Å; W379-L401 HydrophobicContact CH2-CB 4.37Å; W379-L401 HydrophobicContact CZ2-CB 3.91Å; L386-L401 HydrophobicContact CD1-CD1 4.41Å; L386-L401 HydrophobicContact CD1-CD2 3.77Å; I392-L401 HydrophobicContact CG2-CD1 3.46Å; I392-L401 VanDerWaalsContact CG2-CD1 3.46Å; I392-L401 HydrophobicContact CG2-CG 4.28Å; I394-L401 HydrophobicContact CG1-CD1 3.74Å; L401-Y414 HydrophobicContact CD2-CD1 3.44Å; L401-Y414 VanDerWaalsContact CD2-CD1 3.44Å; L401-Y414 HydrophobicContact CD2-CE1 3.83Å; L401-Y414 HydrophobicContact CD2-CG 4.47Å |
| 402 | K | 92.2 | Very high | 87.9 | Confident | 45 Ų | 45 | 55 Ų | 55 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 123.9 | -179.1 | -175.4 | 175.1 | -176.3 | 172.1 | 0 | 110.5 | E364 I392 Q393 L395 L404 E747 | E364-K402 HydrophobicContact CB-CG 4.49Å; E364-K402 HydrophobicContact CG-CB 4.12Å; E364-K402 HydrophobicContact CG-CG 4.47Å; I392-K402 CarbonylContact C-O 3.37Å; I392-K402 WeakPolarHBondContact CA-O 3.03Å; Q393-K402 HydrophobicContact CB-CB 4.36Å; Q393-K402 PolarHBondContact N-O 3.12Å; Q393-K402 PolarHBondContact O-N 3.19Å; L395-K402 HydrophobicContact CD1-CB 4.14Å; L395-K402 HydrophobicContact CD1-CD 4.08Å; K402-L404 HydrophobicContact CD-CD2 4.45Å; K402-L404 HydrophobicContact CG-CD2 4.41Å; K402-E747 IonicContact NZ-OE1 2.9Å |
| 403 | V | 91.5 | Very high | 88 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.012 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 122.3 | 173.8 | -178.1 | 0 | 0 | 0 | 0 | 108.4 | P362 F363 G391 I392 | P362-V403 CarbonylContact C-O 3.56Å; P362-V403 VanDerWaalsContact CA-O 3.22Å; P362-V403 WeakPolarHBondContact CA-O 3.1Å; P362-V403 WeakPolarHBondContact CB-O 3.37Å; F363-V403 HydrophobicContact CD1-CB 3.86Å; F363-V403 HydrophobicContact CD1-CG1 4.27Å; F363-V403 HydrophobicContact CD2-CB 4.44Å; F363-V403 HydrophobicContact CD2-CG2 4.44Å; F363-V403 HydrophobicContact CE1-CB 3.48Å; F363-V403 VanDerWaalsContact CE1-CB 3.48Å; F363-V403 HydrophobicContact CE1-CG1 3.64Å; F363-V403 HydrophobicContact CE1-CG2 3.87Å; F363-V403 HydrophobicContact CE2-CB 4.09Å; F363-V403 HydrophobicContact CE2-CG2 3.73Å; F363-V403 HydrophobicContact CG-CB 4.34Å; F363-V403 HydrophobicContact CZ-CB 3.61Å; F363-V403 HydrophobicContact CZ-CG1 4.04Å; F363-V403 HydrophobicContact CZ-CG2 3.41Å; F363-V403 VanDerWaalsContact CZ-CG2 3.41Å; F363-V403 PolarHBondContact N-O 3.13Å; F363-V403 PolarHBondContact O-N 2.73Å; G391-V403 CarbonylContact O-C 3.45Å; G391-V403 WeakPolarHBondContact O-CA 3.29Å; I392-V403 HydrophobicContact CG1-CG2 4.26Å |
| 404 | L | 85.4 | Confident | 88.2 | Confident | 70 Ų | 70 | 54 Ų | 54 | 37% | 0.366 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -76.9 | -27.6 | -168.7 | -63.2 | -179.5 | 0 | 0 | 0 | 113.8 | P362 P390 G391 K402 | P362-L404 WeakPolarHBondContact CB-O 3.3Å; P390-L404 WeakPolarHBondContact O-CD1 3.49Å; G391-L404 PolarHBondContact O-N 3.04Å; K402-L404 HydrophobicContact CD-CD2 4.45Å; K402-L404 HydrophobicContact CG-CD2 4.41Å |
| 405 | R | 84.8 | Confident | 88.3 | Confident | 136 Ų | 136 | 52.1 Ų | 52.1 | 51% | 0.513 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -148.3 | 107.5 | 179.7 | -173.6 | -178.3 | -174.5 | -167 | -6 | 109.4 | S360 V407 | S360-R405 PolarHBondContact OG-NE 2.97Å; R405-V407 HydrophobicContact CG-CG1 4.43Å; R405-V407 PolarHBondContact O-N 2.94Å |
| 406 | A | 86 | Confident | 88.6 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -65.7 | 115.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V357 S360 H361 F363 V433 | V357-A406 HydrophobicContact CB-CB 4.24Å; V357-A406 HydrophobicContact CG1-CB 3.61Å; S360-A406 WeakPolarHBondContact CA-O 3.04Å; S360-A406 PolarHBondContact N-O 3.44Å; H361-A406 WeakPolarHBondContact O-CB 3.45Å; H361-A406 PolarHBondContact O-N 3.33Å; F363-A406 HydrophobicContact CD1-CB 3.98Å; F363-A406 HydrophobicContact CE1-CB 4.1Å; A406-V433 HydrophobicContact CB-CG1 4.4Å; A406-V433 HydrophobicContact CB-CG2 4.1Å | ||
| 407 | V | 86.5 | Confident | 89 | Confident | 35 Ų | 35 | 51.4 Ų | 51.4 | 21% | 0.212 | 25% | 0.247 | C | C | . | . | trans | -112.2 | 170.8 | 171.7 | -64.8 | 0 | 0 | 0 | 0 | 110.5 | R405 E409 D410 | R405-V407 HydrophobicContact CG-CG1 4.43Å; R405-V407 PolarHBondContact O-N 2.94Å; V407-E409 VanDerWaalsContact CB-OE2 3.28Å; V407-E409 WeakPolarHBondContact CB-OE2 3.46Å; V407-E409 HydrophobicContact CG2-CB 4.18Å; V407-E409 WeakPolarHBondContact CG2-OE2 3.26Å; V407-E409 PolarHBondContact O-N 3.35Å; V407-D410 VanDerWaalsContact CG2-OD2 3.31Å; V407-D410 WeakPolarHBondContact CG2-OD2 3.42Å; V407-D410 PolarHBondContact N-OD2 2.82Å; V407-D410 WeakPolarHBondContact O-CB 3.44Å; V407-D410 PolarHBondContact O-N 2.75Å | ||
| 408 | K | 83.4 | Confident | 89.5 | Confident | 166 Ų | 166 | 45.8 Ų | 45.8 | 72% | 0.722 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -61.3 | -29.9 | -178.1 | -168.8 | 178.7 | 179.7 | -177.9 | 0 | 111.9 | D410 V411 | K408-D410 PolarHBondContact O-N 2.79Å; K408-V411 WeakPolarHBondContact O-CB 3.41Å; K408-V411 VanDerWaalsContact O-CG2 3.31Å; K408-V411 WeakPolarHBondContact O-CG2 3.42Å; K408-V411 PolarHBondContact O-N 3.47Å |
| 409 | E | 84.5 | Confident | 89.6 | Confident | 136 Ų | 136 | 48.2 Ų | 48.2 | 64% | 0.636 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -72.6 | -14.2 | 178 | -57.8 | 70.3 | -149.7 | 0 | 0 | 113.1 | K381 V407 V411 | K381-E409 PolarHBondContact NZ-O 3.47Å; V407-E409 VanDerWaalsContact CB-OE2 3.28Å; V407-E409 WeakPolarHBondContact CB-OE2 3.46Å; V407-E409 HydrophobicContact CG2-CB 4.18Å; V407-E409 WeakPolarHBondContact CG2-OE2 3.26Å; V407-E409 PolarHBondContact O-N 3.35Å; E409-V411 VanDerWaalsContact C-N 3.31Å |
| 410 | D | 87.6 | Confident | 89.5 | Confident | 17 Ų | 17 | 45.9 Ų | 45.9 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -81.4 | -12.4 | 177.8 | -68.7 | -37 | 0 | 0 | 0 | 113.6 | F363 K381 V407 K408 G412 Y414 | F363-D410 HydrophobicContact CE1-CB 4.34Å; K381-D410 IonicContact NZ-OD1 3.77Å; V407-D410 VanDerWaalsContact CG2-OD2 3.31Å; V407-D410 WeakPolarHBondContact CG2-OD2 3.42Å; V407-D410 PolarHBondContact N-OD2 2.82Å; V407-D410 WeakPolarHBondContact O-CB 3.44Å; V407-D410 PolarHBondContact O-N 2.75Å; K408-D410 PolarHBondContact O-N 2.79Å; D410-G412 PolarHBondContact O-N 2.83Å; D410-Y414 VanDerWaalsContact O-CE2 3.28Å; D410-Y414 WeakPolarHBondContact O-CE2 3.29Å; D410-Y414 PolarHBondContact O-OH 2.87Å |
| 411 | V | 88.4 | Confident | 89 | Confident | 66 Ų | 66 | 47.9 Ų | 47.9 | 40% | 0.4 | 23% | 0.226 | S | C | . | . | trans | -59.7 | 131.2 | 174.2 | 176.6 | 0 | 0 | 0 | 0 | 109.9 | K408 E409 I431 V433 | K408-V411 WeakPolarHBondContact O-CB 3.41Å; K408-V411 VanDerWaalsContact O-CG2 3.31Å; K408-V411 WeakPolarHBondContact O-CG2 3.42Å; K408-V411 PolarHBondContact O-N 3.47Å; E409-V411 VanDerWaalsContact C-N 3.31Å; V411-I431 WeakPolarHBondContact CA-O 3.35Å; V411-I431 WeakPolarHBondContact CG1-O 3.48Å; V411-V433 HydrophobicContact CG2-CB 3.89Å; V411-V433 HydrophobicContact CG2-CG2 3.79Å | ||
| 412 | G | 91 | Very high | 88.6 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 13% | 0.134 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.3 | -175.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D410 I431 | D410-G412 PolarHBondContact O-N 2.83Å; G412-I431 PolarHBondContact N-O 2.93Å; G412-I431 PolarHBondContact O-N 3.44Å |
| 413 | I | 92.1 | Very high | 88.5 | Confident | 76 Ų | 76 | 49.2 Ų | 49.2 | 39% | 0.39 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119.5 | 178.5 | -57.8 | 173.3 | 0 | 0 | 0 | 108.8 | K381 N382 N428 Y429 | K381-I413 CarbonylContact C-O 3.57Å; K381-I413 WeakPolarHBondContact CA-O 3.35Å; N382-I413 PolarHBondContact N-O 2.9Å; N382-I413 PolarHBondContact OD1-N 2.62Å; I413-N428 HydrophobicContact CG2-CB 4.04Å; I413-Y429 CarbonylContact C-O 3.5Å; I413-Y429 WeakPolarHBondContact CA-O 3.47Å |
| 414 | Y | 93 | Very high | 88.5 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 116.9 | 174.5 | -67.9 | -105.9 | 0 | 0 | 0 | 108.7 | L365 L380 K381 L386 L401 D410 N428 Y429 I431 | L365-Y414 HydrophobicContact CD1-CD1 4.18Å; L365-Y414 HydrophobicContact CD1-CD2 4.42Å; L365-Y414 HydrophobicContact CD1-CG 3.82Å; L380-Y414 CarbonylContact O-C 3.58Å; L380-Y414 VanDerWaalsContact O-CA 3.26Å; L380-Y414 WeakPolarHBondContact O-CA 3.42Å; K381-Y414 HydrophobicContact CB-CD1 4.24Å; K381-Y414 HydrophobicContact CB-CE1 4.13Å; K381-Y414 HydrophobicContact CD-CE1 3.91Å; K381-Y414 HydrophobicContact CD-CE2 4.39Å; K381-Y414 WeakPolarHBondContact CD-OH 3.27Å; K381-Y414 VanDerWaalsContact CE-OH 3.31Å; K381-Y414 WeakPolarHBondContact CE-OH 3.3Å; K381-Y414 HydrophobicContact CG-CD1 4.42Å; K381-Y414 HydrophobicContact CG-CE1 4.02Å; K381-Y414 HydrophobicContact CG-CE2 4.28Å; K381-Y414 PolarHBondContact NZ-OH 3.46Å; L386-Y414 HydrophobicContact CD1-CD1 3.61Å; L386-Y414 HydrophobicContact CD1-CE1 3.81Å; L401-Y414 HydrophobicContact CD2-CD1 3.44Å; L401-Y414 VanDerWaalsContact CD2-CD1 3.44Å; L401-Y414 HydrophobicContact CD2-CE1 3.83Å; L401-Y414 HydrophobicContact CD2-CG 4.47Å; D410-Y414 VanDerWaalsContact O-CE2 3.28Å; D410-Y414 WeakPolarHBondContact O-CE2 3.29Å; D410-Y414 PolarHBondContact O-OH 2.87Å; Y414-N428 CarbonylContact O-C 3.6Å; Y414-Y429 PolarHBondContact N-O 2.73Å; Y414-Y429 WeakPolarHBondContact O-CD2 3.41Å; Y414-Y429 PolarHBondContact O-N 3.15Å; Y414-I431 HydrophobicContact CD2-CB 4.26Å; Y414-I431 HydrophobicContact CD2-CG1 3.44Å; Y414-I431 VanDerWaalsContact CD2-CG1 3.44Å; Y414-I431 HydrophobicContact CE2-CB 4.07Å; Y414-I431 HydrophobicContact CE2-CG1 3.63Å; Y414-I431 HydrophobicContact CG-CG1 4.42Å |
| 415 | T | 92.5 | Very high | 88.8 | Confident | 14 Ų | 14 | 50.5 Ų | 50.5 | 9% | 0.086 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 122.4 | 177.8 | -55 | 0 | 0 | 0 | 0 | 109 | W379 L380 E426 R427 N428 | W379-T415 CarbonylContact C-O 3.5Å; W379-T415 WeakPolarHBondContact CA-O 3.49Å; L380-T415 HydrophobicContact CD1-CG2 4.19Å; L380-T415 PolarHBondContact N-O 3.49Å; L380-T415 PolarHBondContact O-N 3.21Å; T415-E426 HydrophobicContact CG2-CB 3.91Å; T415-E426 HydrophobicContact CG2-CG 4.45Å; T415-R427 CarbonylContact C-O 3.42Å; T415-R427 WeakPolarHBondContact CA-O 3.29Å; T415-N428 VanDerWaalsContact CB-OD1 3.3Å; T415-N428 WeakPolarHBondContact CB-OD1 3.44Å; T415-N428 WeakPolarHBondContact CG2-OD1 3.44Å; T415-N428 PolarHBondContact OG1-OD1 2.77Å |
| 416 | C | 92.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 116.7 | 165.7 | 177.9 | 0 | 0 | 0 | 0 | 109.4 | C367 W379 E426 R427 Y429 | C367-C416 HydrophobicContact CB-CB 3.61Å; C367-C416 WeakPolarHBondContact CB-SG 3.36Å; C367-C416 WeakPolarHBondContact SG-CB 3.44Å; C367-C416 CovalentContact SG-SG 2Å; C367-C416 PolarHBondContact SG-SG 3.4Å; W379-C416 HydrophobicContact CD2-CB 4.19Å; W379-C416 HydrophobicContact CE3-CB 3.84Å; W379-C416 HydrophobicContact CH2-CB 3.71Å; W379-C416 HydrophobicContact CZ2-CB 4.05Å; W379-C416 HydrophobicContact CZ3-CB 3.6Å; C416-E426 CarbonylContact O-C 3.59Å; C416-E426 WeakPolarHBondContact O-CA 3.16Å; C416-R427 PolarHBondContact N-O 3.04Å; C416-R427 PolarHBondContact O-N 2.89Å; C416-Y429 HydrophobicContact CB-CE2 4.32Å |
| 417 | K | 92.9 | Very high | 89.3 | Confident | 69 Ų | 69 | 51.6 Ų | 51.6 | 30% | 0.3 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 128.2 | 172.7 | -174.8 | -178.8 | 178.4 | -171.3 | 0 | 109.7 | E378 L380 | E378-K417 HydrophobicContact CB-CB 4.42Å; E378-K417 PolarHBondContact N-O 3.05Å; E378-K417 PolarHBondContact O-N 2.86Å; L380-K417 HydrophobicContact CD1-CB 4Å |
| 418 | V | 93 | Very high | 89.5 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 121.7 | -178.3 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | P344 F346 C367 A369 P375 K376 F377 A424 T425 | P344-V418 HydrophobicContact CB-CB 4.29Å; P344-V418 HydrophobicContact CB-CG1 3.73Å; P344-V418 HydrophobicContact CG-CG1 4.19Å; F346-V418 HydrophobicContact CE1-CG2 3.97Å; F346-V418 HydrophobicContact CZ-CB 4.46Å; F346-V418 HydrophobicContact CZ-CG2 3.79Å; C367-V418 WeakPolarHBondContact SG-CG2 3.15Å; A369-V418 HydrophobicContact CB-CB 4.17Å; A369-V418 HydrophobicContact CB-CG1 3.8Å; A369-V418 HydrophobicContact CB-CG2 3.97Å; P375-V418 HydrophobicContact CB-CG1 3.41Å; P375-V418 VanDerWaalsContact CB-CG1 3.41Å; P375-V418 HydrophobicContact CG-CG1 3.68Å; K376-V418 WeakPolarHBondContact O-CA 3.32Å; F377-V418 HydrophobicContact CD1-CB 4.5Å; F377-V418 HydrophobicContact CD1-CG1 4.26Å; F377-V418 HydrophobicContact CD1-CG2 3.61Å; F377-V418 HydrophobicContact CE1-CG1 3.97Å; F377-V418 HydrophobicContact CE1-CG2 3.7Å; F377-V418 HydrophobicContact CZ-CG1 4.29Å; V418-A424 CarbonylContact O-C 3.55Å; V418-A424 VanDerWaalsContact O-CA 3.23Å; V418-A424 WeakPolarHBondContact O-CA 3.48Å; V418-T425 HydrophobicContact CB-CG2 4.08Å; V418-T425 PolarHBondContact N-O 3.29Å; V418-T425 PolarHBondContact O-N 2.86Å |
| 419 | E | 89.9 | Confident | 89.9 | Confident | 60 Ų | 60 | 46.1 Ų | 46.1 | 28% | 0.28 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 141.7 | -177.5 | 68.1 | -175.5 | -178.3 | 0 | 0 | 112.5 | P375 K376 G423 A424 | P375-E419 CarbonylContact C-O 3.59Å; P375-E419 VanDerWaalsContact CA-O 3.27Å; P375-E419 WeakPolarHBondContact CA-O 3.47Å; P375-E419 WeakPolarHBondContact CB-O 3.34Å; K376-E419 HydrophobicContact CB-CG 3.99Å; K376-E419 HydrophobicContact CD-CG 4.48Å; K376-E419 WeakPolarHBondContact CD-OE1 3.15Å; K376-E419 HydrophobicContact CG-CG 4.46Å; K376-E419 PolarHBondContact N-O 2.93Å; K376-E419 IonicContact NZ-OE1 3.68Å; K376-E419 PolarHBondContact NZ-OE1 2.92Å; K376-E419 PolarHBondContact O-N 2.77Å; E419-G423 WeakPolarHBondContact CA-O 3.31Å; E419-A424 HydrophobicContact CB-CB 3.71Å |
| 420 | N | 87.3 | Confident | 90.1 | Very high | 24 Ų | 24 | 42.2 Ų | 42.2 | 13% | 0.128 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | -177.1 | 165.4 | 78.4 | -0.2 | 0 | 0 | 0 | 109.8 | L342 P344 A371 F372 P373 P375 A422 G423 | L342-N420 PolarHBondContact O-ND2 3.21Å; P344-N420 WeakPolarHBondContact CD-OD1 3.38Å; P344-N420 HydrophobicContact CG-CB 4.15Å; A371-N420 WeakPolarHBondContact CB-ND2 3.38Å; F372-N420 PolarHBondContact O-ND2 3.28Å; P373-N420 PolarHBondContact O-ND2 3.43Å; P375-N420 HydrophobicContact CB-CB 4.1Å; N420-A422 PolarHBondContact O-N 3.04Å; N420-A422 WeakPolarHBondContact OD1-CA 3.4Å; N420-A422 WeakPolarHBondContact OD1-CB 3.31Å; N420-A422 PolarHBondContact OD1-N 3.39Å; N420-G423 PolarHBondContact N-O 3.5Å; N420-G423 PolarHBondContact O-N 2.96Å; N420-G423 VanDerWaalsContact O-N 3.11Å; N420-G423 PolarHBondContact OD1-N 3.11Å |
| 421 | R | 80.4 | Confident | 90.4 | Very high | 76 Ų | 76 | 41.5 Ų | 41.5 | 29% | 0.287 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -17.5 | -179.4 | 72.4 | 173.3 | -61.7 | 176.2 | 2.9 | 115.4 | E235 F245 D248 P341 P373 | E235-R421 IonicContact OE2-CZ 3.84Å; E235-R421 IonicContact OE2-NE 3.4Å; E235-R421 IonicContact OE2-NH2 3.96Å; F245-R421 VanDerWaalsContact CG-NH1 3.28Å; D248-R421 IonicContact OD1-CZ 3.96Å; D248-R421 IonicContact OD1-NH1 3.35Å; D248-R421 PolarHBondContact OD1-NH1 3.32Å; D248-R421 IonicContact OD1-NH2 3.03Å; D248-R421 PolarHBondContact OD1-NH2 3.21Å; D248-R421 IonicContact OD2-NH1 3.58Å; D248-R421 PolarHBondContact OD2-NH1 3.33Å; D248-R421 VanDerWaalsContact OD2-NH1 3.13Å; P341-R421 HydrophobicContact CB-CG 3.89Å; P341-R421 HydrophobicContact CG-CG 4.45Å; P373-R421 HydrophobicContact CG-CG 3.95Å |
| 422 | A | 84.8 | Confident | 90.4 | Very high | 43 Ų | 43 | 40 Ų | 40 | 36% | 0.355 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -17.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P341 A343 N420 | P341-A422 HydrophobicContact CB-CB 3.89Å; P341-A422 HydrophobicContact CG-CB 4.22Å; A343-A422 HydrophobicContact CB-CB 3.98Å; N420-A422 PolarHBondContact O-N 3.04Å; N420-A422 WeakPolarHBondContact OD1-CA 3.4Å; N420-A422 WeakPolarHBondContact OD1-CB 3.31Å; N420-A422 PolarHBondContact OD1-N 3.39Å |
| 423 | G | 90.5 | Very high | 90.2 | Very high | 30 Ų | 30 | 40.9 Ų | 40.9 | 31% | 0.309 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 162 | -174 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P344 E419 N420 | P344-G423 VanDerWaalsContact CD-O 3.26Å; P344-G423 WeakPolarHBondContact CD-O 3.29Å; E419-G423 WeakPolarHBondContact CA-O 3.31Å; N420-G423 PolarHBondContact N-O 3.5Å; N420-G423 PolarHBondContact O-N 2.96Å; N420-G423 VanDerWaalsContact O-N 3.11Å; N420-G423 PolarHBondContact OD1-N 3.11Å |
| 424 | A | 91.8 | Very high | 89.7 | Confident | 64 Ų | 64 | 42.5 Ų | 42.5 | 53% | 0.529 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 150.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V418 E419 | V418-A424 CarbonylContact O-C 3.55Å; V418-A424 VanDerWaalsContact O-CA 3.23Å; V418-A424 WeakPolarHBondContact O-CA 3.48Å; E419-A424 HydrophobicContact CB-CB 3.71Å |
| 425 | T | 91.9 | Very high | 88.8 | Confident | 35 Ų | 35 | 45 Ų | 45 | 22% | 0.215 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 161.2 | 175.8 | -170.9 | 0 | 0 | 0 | 0 | 109.1 | P344 F346 V418 | P344-T425 HydrophobicContact CB-CG2 3.84Å; P344-T425 WeakPolarHBondContact O-CB 3.36Å; P344-T425 VanDerWaalsContact O-CG2 3.26Å; P344-T425 WeakPolarHBondContact O-CG2 3.2Å; F346-T425 HydrophobicContact CD2-CG2 3.92Å; F346-T425 HydrophobicContact CE2-CG2 3.38Å; F346-T425 WeakPolarHBondContact CE2-OG1 3.34Å; F346-T425 HydrophobicContact CZ-CG2 3.82Å; V418-T425 HydrophobicContact CB-CG2 4.08Å; V418-T425 PolarHBondContact N-O 3.29Å; V418-T425 PolarHBondContact O-N 2.86Å |
| 426 | E | 91.4 | Very high | 87.3 | Confident | 119 Ų | 119 | 51.3 Ų | 51.3 | 56% | 0.556 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 149.2 | 177.8 | 62 | -176.2 | -154.7 | 0 | 0 | 112.3 | T415 C416 | T415-E426 HydrophobicContact CG2-CB 3.91Å; T415-E426 HydrophobicContact CG2-CG 4.45Å; C416-E426 CarbonylContact O-C 3.59Å; C416-E426 WeakPolarHBondContact O-CA 3.16Å |
| 427 | R | 89.6 | Confident | 85.1 | Confident | 41 Ų | 41 | 58.1 Ų | 58.1 | 16% | 0.155 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 131.8 | 178.1 | 176.2 | 176.1 | -84.2 | 178.7 | -13.7 | 110.5 | F346 H347 N348 T415 C416 Y429 | F346-R427 HydrophobicContact CD1-CB 4.4Å; F346-R427 HydrophobicContact CD2-CB 3.98Å; F346-R427 HydrophobicContact CE1-CB 4.03Å; F346-R427 HydrophobicContact CE2-CB 3.55Å; F346-R427 HydrophobicContact CG-CB 4.38Å; F346-R427 HydrophobicContact CZ-CB 3.58Å; H347-R427 PolarHBondContact O-NH2 3.4Å; N348-R427 PolarHBondContact O-NH2 2.71Å; T415-R427 CarbonylContact C-O 3.42Å; T415-R427 WeakPolarHBondContact CA-O 3.29Å; C416-R427 PolarHBondContact N-O 3.04Å; C416-R427 PolarHBondContact O-N 2.89Å; R427-Y429 HydrophobicContact CB-CE2 4.34Å; R427-Y429 VanDerWaalsContact CD-OH 3.27Å; R427-Y429 WeakPolarHBondContact CD-OH 3.49Å; R427-Y429 HydrophobicContact CG-CD2 4.47Å; R427-Y429 HydrophobicContact CG-CE2 3.84Å |
| 428 | N | 90.6 | Very high | 82.8 | Confident | 73 Ų | 73 | 61.5 Ų | 61.5 | 39% | 0.39 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 131.7 | -178.9 | -66.1 | -25.7 | 0 | 0 | 0 | 111.7 | I413 Y414 T415 | I413-N428 HydrophobicContact CG2-CB 4.04Å; Y414-N428 CarbonylContact O-C 3.6Å; T415-N428 VanDerWaalsContact CB-OD1 3.3Å; T415-N428 WeakPolarHBondContact CB-OD1 3.44Å; T415-N428 WeakPolarHBondContact CG2-OD1 3.44Å; T415-N428 PolarHBondContact OG1-OD1 2.77Å |
| 429 | Y | 91.3 | Very high | 80.1 | Confident | 13 Ų | 13 | 67.4 Ų | 67.4 | 5% | 0.051 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.6 | 173.8 | -59.3 | -94.7 | 0 | 0 | 0 | 108.6 | T353 I355 L365 D366 W379 I413 Y414 C416 R427 | T353-Y429 HydrophobicContact CG2-CD1 4.41Å; I355-Y429 HydrophobicContact CD1-CD1 4.11Å; L365-Y429 HydrophobicContact CD1-CD2 4.46Å; L365-Y429 HydrophobicContact CD1-CG 4.27Å; L365-Y429 HydrophobicContact CD2-CD1 4.31Å; L365-Y429 HydrophobicContact CD2-CG 4.4Å; D366-Y429 PolarHBondContact O-OH 3.04Å; W379-Y429 HydrophobicContact CH2-CD2 4.22Å; W379-Y429 AromaticContact CH2-CE2 3.84Å; W379-Y429 HydrophobicContact CH2-CE2 3.84Å; W379-Y429 AromaticContact CZ3-CD2 3.88Å; W379-Y429 HydrophobicContact CZ3-CD2 3.88Å; W379-Y429 AromaticContact CZ3-CE2 3.91Å; W379-Y429 HydrophobicContact CZ3-CE2 3.91Å; I413-Y429 CarbonylContact C-O 3.5Å; I413-Y429 WeakPolarHBondContact CA-O 3.47Å; Y414-Y429 PolarHBondContact N-O 2.73Å; Y414-Y429 WeakPolarHBondContact O-CD2 3.41Å; Y414-Y429 PolarHBondContact O-N 3.15Å; C416-Y429 HydrophobicContact CB-CE2 4.32Å; R427-Y429 HydrophobicContact CB-CE2 4.34Å; R427-Y429 VanDerWaalsContact CD-OH 3.27Å; R427-Y429 WeakPolarHBondContact CD-OH 3.49Å; R427-Y429 HydrophobicContact CG-CD2 4.47Å; R427-Y429 HydrophobicContact CG-CE2 3.84Å |
| 430 | T | 90.6 | Very high | 77.1 | Confident | 54 Ų | 54 | 71.2 Ų | 71.2 | 33% | 0.331 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 114.5 | 178.2 | -56.8 | 0 | 0 | 0 | 0 | 109 | T353 V354 I355 | T353-T430 PolarHBondContact O-N 3.19Å; V354-T430 CarbonylContact C-O 3.47Å; V354-T430 WeakPolarHBondContact CA-O 3.18Å; I355-T430 PolarHBondContact N-O 2.72Å |
| 431 | I | 92.2 | Very high | 74.5 | Confident | 2 Ų | 2 | 76.6 Ų | 76.6 | 1% | 0.01 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 126.1 | -176.9 | -50.6 | -54.6 | 0 | 0 | 0 | 109.7 | I355 V357 F363 L365 V411 G412 Y414 | I355-I431 HydrophobicContact CB-CD1 3.76Å; I355-I431 HydrophobicContact CD1-CD1 4.01Å; I355-I431 HydrophobicContact CG1-CD1 4.26Å; I355-I431 HydrophobicContact CG2-CD1 4.41Å; I355-I431 WeakPolarHBondContact O-CA 3.34Å; V357-I431 HydrophobicContact CG2-CG2 4.18Å; F363-I431 HydrophobicContact CE1-CG2 4.31Å; F363-I431 HydrophobicContact CE2-CD1 4.28Å; F363-I431 HydrophobicContact CE2-CG1 4.1Å; F363-I431 HydrophobicContact CE2-CG2 4.21Å; F363-I431 HydrophobicContact CZ-CG1 4.45Å; F363-I431 HydrophobicContact CZ-CG2 3.97Å; L365-I431 HydrophobicContact CD1-CD1 4.33Å; L365-I431 HydrophobicContact CD2-CD1 3.74Å; V411-I431 WeakPolarHBondContact CA-O 3.35Å; V411-I431 WeakPolarHBondContact CG1-O 3.48Å; G412-I431 PolarHBondContact N-O 2.93Å; G412-I431 PolarHBondContact O-N 3.44Å; Y414-I431 HydrophobicContact CD2-CB 4.26Å; Y414-I431 HydrophobicContact CD2-CG1 3.44Å; Y414-I431 VanDerWaalsContact CD2-CG1 3.44Å; Y414-I431 HydrophobicContact CE2-CB 4.07Å; Y414-I431 HydrophobicContact CE2-CG1 3.63Å; Y414-I431 HydrophobicContact CG-CG1 4.42Å |
| 432 | S | 88.8 | Confident | 72 | Confident | 34 Ų | 34 | 77.9 Ų | 77.9 | 24% | 0.238 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 144.7 | 170.3 | 60.9 | 0 | 0 | 0 | 0 | 109.6 | I355 T356 V357 | I355-S432 PolarHBondContact O-N 3.44Å; I355-S432 PolarHBondContact O-OG 2.96Å; T356-S432 CarbonylContact C-O 3.56Å; T356-S432 WeakPolarHBondContact CA-O 2.97Å; T356-S432 WeakPolarHBondContact CA-OG 3.14Å; T356-S432 PolarHBondContact OG1-OG 3.47Å; T356-S432 VanDerWaalsContact OG1-OG 3.11Å; V357-S432 PolarHBondContact N-O 3.26Å |
| 433 | V | 86.3 | Confident | 69.5 | Low | 32 Ų | 32 | 85.2 Ų | 85.2 | 19% | 0.194 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.6 | 179.5 | -179.8 | 0 | 0 | 0 | 0 | 109 | V357 Y359 A406 V411 | V357-V433 CarbonylContact O-C 3.56Å; V357-V433 WeakPolarHBondContact O-CA 3.35Å; Y359-V433 HydrophobicContact CD2-CG1 4.4Å; A406-V433 HydrophobicContact CB-CG1 4.4Å; A406-V433 HydrophobicContact CB-CG2 4.1Å; V411-V433 HydrophobicContact CG2-CB 3.89Å; V411-V433 HydrophobicContact CG2-CG2 3.79Å |
| 434 | E | 82.8 | Confident | 66.5 | Low | 109 Ų | 109 | 90 Ų | 90 | 51% | 0.509 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 152.5 | -179.5 | -72.5 | -179.4 | -173.8 | 0 | 0 | 111.1 | T356 V357 Q358 Y359 | T356-E434 HydrophobicContact CG2-CB 3.94Å; T356-E434 HydrophobicContact CG2-CG 3.56Å; T356-E434 WeakPolarHBondContact CG2-OE2 3.45Å; V357-E434 PolarHBondContact O-N 3.21Å; Q358-E434 CarbonylContact C-O 3.59Å; Q358-E434 VanDerWaalsContact CA-O 3.24Å; Q358-E434 WeakPolarHBondContact CA-O 3.46Å; Q358-E434 PolarHBondContact OE1-O 3.36Å; Y359-E434 PolarHBondContact N-O 3.12Å |
| 435 | G | 73.9 | Confident | 63.6 | Low | 52 Ų | 52 | 91.9 Ų | 91.9 | 54% | 0.536 | 51% | 0.512 | S | S | . | . | trans | 118.6 | 139.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 436 | L | 61.3 | Low | 60.9 | Low | 147 Ų | 147 | 96.3 Ų | 96.3 | 77% | 0.77 | 54% | 0.54 | S | S | * | . | trans | -111.5 | 143.3 | -179.5 | -149.3 | 88 | 0 | 0 | 0 | 109.4 | L438 | L436-L438 HydrophobicContact CB-CG 4.45Å; L436-L438 HydrophobicContact CD2-CD2 4.27Å; L436-L438 HydrophobicContact CD2-CG 4.48Å; L436-L438 PolarHBondContact O-N 2.61Å | ||
| 437 | E | 45.4 | Very low | 58.7 | Low | 144 Ų | 144 | 101.7 Ų | 101.7 | 67% | 0.673 | 56% | 0.555 | S | S | * | * | trans | -64 | 112.8 | 171.9 | -64.6 | -179.9 | 167.8 | 0 | 0 | 109.6 | Y359 | Y359-E437 HydrophobicContact CD1-CG 4.44Å; Y359-E437 HydrophobicContact CE1-CG 3.9Å; Y359-E437 WeakPolarHBondContact CE1-OE1 3.42Å; Y359-E437 PolarHBondContact OH-OE1 3Å | ||
| 438 | L | 46 | Very low | 56.9 | Low | 139 Ų | 139 | 106.7 Ų | 106.7 | 73% | 0.728 | 58% | 0.583 | S | S | * | * | trans | -133.2 | 123.4 | -178.5 | -72.9 | 172.2 | 0 | 0 | 0 | 112.5 | L436 | L436-L438 HydrophobicContact CB-CG 4.45Å; L436-L438 HydrophobicContact CD2-CD2 4.27Å; L436-L438 HydrophobicContact CD2-CG 4.48Å; L436-L438 PolarHBondContact O-N 2.61Å | ||
| 439 | P | 35 | Very low | 54.7 | Low | 125 Ų | 125 | 112.2 Ų | 112.2 | 81% | 0.812 | 61% | 0.609 | S | S | * | * | trans | -80.8 | 152.1 | 172.4 | 30 | -30.7 | 0 | 0 | 0 | 113.5 | ||||
| 440 | V | 28 | Very low | 52.8 | Low | 140 Ų | 140 | 118.5 Ų | 118.5 | 85% | 0.848 | 64% | 0.639 | S | S | * | * | trans | -86.2 | 128.6 | -169.7 | 176.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 441 | T | 32.3 | Very low | 51.1 | Low | 137 Ų | 137 | 118.8 Ų | 118.8 | 84% | 0.84 | 65% | 0.647 | S | S | * | * | trans | -149 | 110.5 | 160.3 | 48.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 442 | S | 28.3 | Very low | 49.3 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 72% | 0.72 | 69% | 0.686 | S | S | * | * | 21.9 | 126.4 | 126.2 | 175.5 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 443 | K | 31.4 | Very low | 47.7 | Very low | 196 Ų | 196 | 132.8 Ų | 132.8 | 85% | 0.852 | 71% | 0.709 | S | S | * | * | trans | 155 | 155 | 133.8 | -87.7 | 171 | -175.9 | -178.7 | 0 | 109.3 | ||||
| 444 | N | 27.5 | Very low | 46.6 | Very low | 131 Ų | 131 | 132.7 Ų | 132.7 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | cis | -173.1 | 140.5 | -35.1 | -136.7 | 10.3 | 0 | 0 | 0 | 104.8 | ||||
| 445 | T | 31.1 | Very low | 46 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 63% | 0.632 | 72% | 0.723 | S | S | * | * | trans | 57.3 | 92.7 | 142.8 | 55.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 446 | T | 35.6 | Very low | 45.9 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | trans | -138.5 | 59.4 | 130 | 51.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 447 | W | 44.7 | Very low | 46.7 | Very low | 233 Ų | 233 | 131.2 Ų | 131.2 | 88% | 0.883 | 70% | 0.704 | S | S | * | * | trans | -84.7 | 114.2 | 163.3 | -71.6 | 50.6 | 0 | 0 | 0 | 104.7 | ||||
| 448 | I | 51.2 | Low | 48.4 | Very low | 146 Ų | 146 | 128.3 Ų | 128.3 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | S | Bend | -170.4 | -5.1 | 96.4 | -85.4 | 149.8 | 0 | 0 | 0 | 113.1 | |||
| 449 | M | 45.3 | Very low | 50.1 | Low | 188 Ų | 188 | 127.7 Ų | 127.7 | 93% | 0.926 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -92.5 | -16.6 | 179.3 | -70.7 | -143.5 | 96.3 | 0 | 0 | 115.7 | ||
| 450 | Q | 51.6 | Low | 52.5 | Low | 146 Ų | 146 | 125.4 Ų | 125.4 | 68% | 0.682 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -90.7 | 2.6 | 178.2 | -73 | -178.4 | -25.5 | 0 | 0 | 113.7 | F452 G454 | Q450-F452 VanDerWaalsContact C-N 3.3Å; Q450-F452 PolarHBondContact O-N 3.33Å; Q450-G454 VanDerWaalsContact O-CA 3.25Å; Q450-G454 WeakPolarHBondContact O-CA 3.49Å; Q450-G454 PolarHBondContact O-N 2.72Å |
| 451 | A | 54.4 | Low | 55.3 | Low | 60 Ų | 60 | 124.2 Ų | 124.2 | 50% | 0.496 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.5 | -19.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | M455 | A451-M455 WeakPolarHBondContact O-CB 3.45Å; A451-M455 WeakPolarHBondContact O-CG 3.39Å |
| 452 | F | 53.9 | Low | 57.9 | Low | 190 Ų | 190 | 120 Ų | 120 | 83% | 0.833 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -40.7 | 175.1 | -83.3 | -85.7 | 0 | 0 | 0 | 113.2 | Q450 L456 | Q450-F452 VanDerWaalsContact C-N 3.3Å; Q450-F452 PolarHBondContact O-N 3.33Å; F452-L456 PolarHBondContact O-N 3.38Å |
| 453 | L | 56.4 | Low | 60.8 | Low | 139 Ų | 139 | 119 Ų | 119 | 73% | 0.728 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -79.7 | -34.5 | 177.8 | -76.1 | 164.8 | 0 | 0 | 0 | 113.2 | M455 L456 G457 | L453-M455 VanDerWaalsContact C-N 3.34Å; L453-L456 PolarHBondContact O-N 3.48Å; L453-G457 PolarHBondContact O-N 2.84Å |
| 454 | G | 62.8 | Low | 63.5 | Low | 31 Ų | 31 | 113 Ų | 113 | 32% | 0.32 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68.4 | -32.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q450 C458 | Q450-G454 VanDerWaalsContact O-CA 3.25Å; Q450-G454 WeakPolarHBondContact O-CA 3.49Å; Q450-G454 PolarHBondContact O-N 2.72Å; G454-C458 WeakPolarHBondContact O-CB 3.47Å; G454-C458 PolarHBondContact O-N 2.77Å; G454-C458 PolarHBondContact O-SG 3.23Å |
| 455 | M | 69.4 | Low | 66.4 | Low | 138 Ų | 138 | 109.4 Ų | 109.4 | 68% | 0.68 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.2 | -41.9 | 171 | -77.2 | -72 | -75.2 | 0 | 0 | 111.8 | A451 L453 F459 | A451-M455 WeakPolarHBondContact O-CB 3.45Å; A451-M455 WeakPolarHBondContact O-CG 3.39Å; L453-M455 VanDerWaalsContact C-N 3.34Å; M455-F459 WeakPolarHBondContact O-CB 3.39Å; M455-F459 PolarHBondContact O-N 3.06Å |
| 456 | L | 73.1 | Confident | 69.3 | Low | 107 Ų | 107 | 108.2 Ų | 108.2 | 56% | 0.56 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.7 | -43.6 | 175 | -171.1 | 67.6 | 0 | 0 | 0 | 112 | F452 L453 F459 V460 | F452-L456 PolarHBondContact O-N 3.38Å; L453-L456 PolarHBondContact O-N 3.48Å; L456-F459 WeakPolarHBondContact O-CB 3.43Å; L456-F459 PolarHBondContact O-N 3.09Å; L456-V460 WeakPolarHBondContact O-CG2 3.42Å; L456-V460 PolarHBondContact O-N 3.2Å |
| 457 | G | 77.8 | Confident | 71.9 | Confident | 32 Ų | 32 | 106.2 Ų | 106.2 | 33% | 0.33 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.8 | -43.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L453 F459 V460 I461 | L453-G457 PolarHBondContact O-N 2.84Å; G457-F459 VanDerWaalsContact C-N 3.33Å; G457-V460 PolarHBondContact O-N 2.73Å; G457-I461 VanDerWaalsContact O-CG1 3.29Å; G457-I461 WeakPolarHBondContact O-CG1 3.49Å; G457-I461 PolarHBondContact O-N 3.39Å |
| 458 | C | 80.7 | Confident | 74.1 | Confident | 83 Ų | 83 | 99.6 Ų | 99.6 | 56% | 0.561 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65 | -37.1 | 172.4 | -69.8 | 0 | 0 | 0 | 0 | 111.5 | G454 I461 A462 | G454-C458 WeakPolarHBondContact O-CB 3.47Å; G454-C458 PolarHBondContact O-N 2.77Å; G454-C458 PolarHBondContact O-SG 3.23Å; C458-I461 PolarHBondContact O-N 3.25Å; C458-A462 WeakPolarHBondContact O-CB 3.27Å; C458-A462 PolarHBondContact O-N 3.36Å |
| 459 | F | 82.2 | Confident | 75.9 | Confident | 126 Ų | 126 | 97 Ų | 97 | 55% | 0.553 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.6 | -40.4 | 176 | -172.1 | -105.1 | 0 | 0 | 0 | 111.9 | M455 L456 G457 A462 L463 | M455-F459 WeakPolarHBondContact O-CB 3.39Å; M455-F459 PolarHBondContact O-N 3.06Å; L456-F459 WeakPolarHBondContact O-CB 3.43Å; L456-F459 PolarHBondContact O-N 3.09Å; G457-F459 VanDerWaalsContact C-N 3.33Å; F459-A462 PolarHBondContact O-N 3.41Å; F459-L463 HydrophobicContact CD1-CD1 3.53Å; F459-L463 HydrophobicContact CD1-CG 4.31Å; F459-L463 HydrophobicContact CE1-CD1 3.24Å; F459-L463 HydrophobicContact CE1-CG 4.09Å; F459-L463 HydrophobicContact CG-CD1 4.37Å; F459-L463 HydrophobicContact CZ-CD1 3.87Å; F459-L463 HydrophobicContact CZ-CG 4.29Å; F459-L463 VanDerWaalsContact O-CB 3.26Å; F459-L463 WeakPolarHBondContact O-CB 3.48Å; F459-L463 WeakPolarHBondContact O-CG 3.39Å; F459-L463 PolarHBondContact O-N 3.32Å |
| 460 | V | 85.5 | Confident | 77.9 | Confident | 76 Ų | 76 | 92.8 Ų | 92.8 | 46% | 0.461 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68 | -42.5 | 175 | 174 | 0 | 0 | 0 | 0 | 111.6 | L456 G457 L463 T464 | L456-V460 WeakPolarHBondContact O-CG2 3.42Å; L456-V460 PolarHBondContact O-N 3.2Å; G457-V460 PolarHBondContact O-N 2.73Å; V460-L463 PolarHBondContact O-N 3.34Å; V460-T464 HydrophobicContact CG1-CG2 4.41Å; V460-T464 WeakPolarHBondContact O-CB 3.37Å; V460-T464 VanDerWaalsContact O-CG2 3.31Å; V460-T464 WeakPolarHBondContact O-CG2 3.41Å; V460-T464 PolarHBondContact O-N 2.69Å; V460-T464 PolarHBondContact O-OG1 3.15Å |
| 461 | I | 86.6 | Confident | 79.6 | Confident | 116 Ų | 116 | 92 Ų | 92 | 60% | 0.595 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.3 | -40.1 | 175.9 | -67.2 | 167.7 | 0 | 0 | 0 | 110.9 | G457 C458 T464 S465 | G457-I461 VanDerWaalsContact O-CG1 3.29Å; G457-I461 WeakPolarHBondContact O-CG1 3.49Å; G457-I461 PolarHBondContact O-N 3.39Å; C458-I461 PolarHBondContact O-N 3.25Å; I461-T464 WeakPolarHBondContact CA-OG1 3.41Å; I461-T464 PolarHBondContact O-OG1 3.24Å; I461-S465 VanDerWaalsContact O-CB 3.3Å; I461-S465 WeakPolarHBondContact O-CB 3.48Å; I461-S465 PolarHBondContact O-N 2.79Å; I461-S465 PolarHBondContact O-OG 2.94Å |
| 462 | A | 86.6 | Confident | 81.1 | Confident | 48 Ų | 48 | 97.2 Ų | 97.2 | 40% | 0.397 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.1 | -44.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | C458 F459 S465 V466 | C458-A462 WeakPolarHBondContact O-CB 3.27Å; C458-A462 PolarHBondContact O-N 3.36Å; F459-A462 PolarHBondContact O-N 3.41Å; A462-S465 WeakPolarHBondContact CA-OG 3.24Å; A462-S465 PolarHBondContact O-OG 3.36Å; A462-V466 VanDerWaalsContact O-CB 3.26Å; A462-V466 WeakPolarHBondContact O-CB 3.42Å; A462-V466 WeakPolarHBondContact O-CG2 3.29Å; A462-V466 PolarHBondContact O-N 3.11Å |
| 463 | L | 89.3 | Confident | 82.6 | Confident | 83 Ų | 83 | 97 Ų | 97 | 44% | 0.435 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 176.2 | -86.4 | 169.9 | 0 | 0 | 0 | 112.2 | F459 V460 V466 V467 | F459-L463 HydrophobicContact CD1-CD1 3.53Å; F459-L463 HydrophobicContact CD1-CG 4.31Å; F459-L463 HydrophobicContact CE1-CD1 3.24Å; F459-L463 HydrophobicContact CE1-CG 4.09Å; F459-L463 HydrophobicContact CG-CD1 4.37Å; F459-L463 HydrophobicContact CZ-CD1 3.87Å; F459-L463 HydrophobicContact CZ-CG 4.29Å; F459-L463 VanDerWaalsContact O-CB 3.26Å; F459-L463 WeakPolarHBondContact O-CB 3.48Å; F459-L463 WeakPolarHBondContact O-CG 3.39Å; F459-L463 PolarHBondContact O-N 3.32Å; V460-L463 PolarHBondContact O-N 3.34Å; L463-V466 PolarHBondContact O-N 3.36Å; L463-V467 WeakPolarHBondContact O-CB 3.19Å; L463-V467 VanDerWaalsContact O-CG2 3.25Å; L463-V467 WeakPolarHBondContact O-CG2 3.29Å; L463-V467 PolarHBondContact O-N 3.4Å |
| 464 | T | 88.7 | Confident | 84 | Confident | 70 Ų | 70 | 94.1 Ų | 94.1 | 43% | 0.429 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.3 | -42.3 | -180 | 50.2 | 0 | 0 | 0 | 0 | 111.9 | V460 I461 V467 I468 | V460-T464 HydrophobicContact CG1-CG2 4.41Å; V460-T464 WeakPolarHBondContact O-CB 3.37Å; V460-T464 VanDerWaalsContact O-CG2 3.31Å; V460-T464 WeakPolarHBondContact O-CG2 3.41Å; V460-T464 PolarHBondContact O-N 2.69Å; V460-T464 PolarHBondContact O-OG1 3.15Å; I461-T464 WeakPolarHBondContact CA-OG1 3.41Å; I461-T464 PolarHBondContact O-OG1 3.24Å; T464-V467 PolarHBondContact O-N 2.84Å; T464-I468 VanDerWaalsContact O-CG1 3.3Å; T464-I468 WeakPolarHBondContact O-CG1 3.26Å; T464-I468 PolarHBondContact O-N 2.8Å |
| 465 | S | 88.3 | Confident | 85.1 | Confident | 55 Ų | 55 | 97.6 Ų | 97.6 | 39% | 0.385 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 173.2 | 57.2 | 0 | 0 | 0 | 0 | 111.9 | I461 A462 I468 V469 | I461-S465 VanDerWaalsContact O-CB 3.3Å; I461-S465 WeakPolarHBondContact O-CB 3.48Å; I461-S465 PolarHBondContact O-N 2.79Å; I461-S465 PolarHBondContact O-OG 2.94Å; A462-S465 WeakPolarHBondContact CA-OG 3.24Å; A462-S465 PolarHBondContact O-OG 3.36Å; S465-I468 PolarHBondContact O-N 2.9Å; S465-V469 WeakPolarHBondContact O-CB 3.11Å; S465-V469 VanDerWaalsContact O-CG2 3.23Å; S465-V469 WeakPolarHBondContact O-CG2 3.31Å; S465-V469 PolarHBondContact O-N 3.4Å |
| 466 | V | 90.9 | Very high | 86 | Confident | 77 Ų | 77 | 94.8 Ų | 94.8 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 172 | 168.6 | 0 | 0 | 0 | 0 | 110.8 | A462 L463 I468 V469 L470 | A462-V466 VanDerWaalsContact O-CB 3.26Å; A462-V466 WeakPolarHBondContact O-CB 3.42Å; A462-V466 WeakPolarHBondContact O-CG2 3.29Å; A462-V466 PolarHBondContact O-N 3.11Å; L463-V466 PolarHBondContact O-N 3.36Å; V466-I468 PolarHBondContact O-N 2.94Å; V466-V469 PolarHBondContact O-N 3.16Å; V466-L470 HydrophobicContact CG1-CD1 3.8Å; V466-L470 HydrophobicContact CG1-CG 4.2Å; V466-L470 WeakPolarHBondContact O-CB 3.43Å; V466-L470 WeakPolarHBondContact O-CG 3.25Å; V466-L470 PolarHBondContact O-N 3.14Å |
| 467 | V | 90.6 | Very high | 86.6 | Confident | 87 Ų | 87 | 91.2 Ų | 91.2 | 53% | 0.527 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 177.2 | 169.5 | 0 | 0 | 0 | 0 | 111.8 | L463 T464 L470 K471 | L463-V467 WeakPolarHBondContact O-CB 3.19Å; L463-V467 VanDerWaalsContact O-CG2 3.25Å; L463-V467 WeakPolarHBondContact O-CG2 3.29Å; L463-V467 PolarHBondContact O-N 3.4Å; T464-V467 PolarHBondContact O-N 2.84Å; V467-L470 PolarHBondContact O-N 2.81Å; V467-K471 WeakPolarHBondContact O-CB 3.2Å; V467-K471 PolarHBondContact O-N 2.79Å |
| 468 | I | 90.8 | Very high | 87.1 | Confident | 93 Ų | 93 | 91.4 Ų | 91.4 | 48% | 0.477 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.7 | -44.7 | 176.6 | -69.1 | 166.4 | 0 | 0 | 0 | 110.6 | T464 S465 V466 K471 R472 | T464-I468 VanDerWaalsContact O-CG1 3.3Å; T464-I468 WeakPolarHBondContact O-CG1 3.26Å; T464-I468 PolarHBondContact O-N 2.8Å; S465-I468 PolarHBondContact O-N 2.9Å; V466-I468 PolarHBondContact O-N 2.94Å; I468-K471 PolarHBondContact O-N 2.92Å; I468-R472 HydrophobicContact CG2-CG 4.42Å; I468-R472 WeakPolarHBondContact O-CB 2.9Å; I468-R472 WeakPolarHBondContact O-CG 3.22Å; I468-R472 PolarHBondContact O-N 2.88Å |
| 469 | V | 89.4 | Confident | 87.5 | Confident | 92 Ų | 92 | 94.9 Ų | 94.9 | 56% | 0.558 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.5 | -44.5 | 177 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | S465 V466 R472 R473 | S465-V469 WeakPolarHBondContact O-CB 3.11Å; S465-V469 VanDerWaalsContact O-CG2 3.23Å; S465-V469 WeakPolarHBondContact O-CG2 3.31Å; S465-V469 PolarHBondContact O-N 3.4Å; V466-V469 PolarHBondContact O-N 3.16Å; V469-R472 PolarHBondContact O-N 2.83Å; V469-R473 VanDerWaalsContact O-CB 3.23Å; V469-R473 WeakPolarHBondContact O-CB 3.37Å; V469-R473 PolarHBondContact O-N 2.78Å |
| 470 | L | 86.4 | Confident | 87.7 | Confident | 99 Ų | 99 | 93.6 Ų | 93.6 | 52% | 0.518 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 176.3 | -69.8 | 175 | 0 | 0 | 0 | 111.7 | V466 V467 R473 E474 | V466-L470 HydrophobicContact CG1-CD1 3.8Å; V466-L470 HydrophobicContact CG1-CG 4.2Å; V466-L470 WeakPolarHBondContact O-CB 3.43Å; V466-L470 WeakPolarHBondContact O-CG 3.25Å; V466-L470 PolarHBondContact O-N 3.14Å; V467-L470 PolarHBondContact O-N 2.81Å; L470-R473 PolarHBondContact O-N 3.48Å; L470-E474 WeakPolarHBondContact O-CB 3.47Å; L470-E474 PolarHBondContact O-N 2.81Å |
| 471 | K | 88.2 | Confident | 87.7 | Confident | 129 Ų | 129 | 90 Ų | 90 | 56% | 0.561 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -65.9 | -42.8 | 176.6 | -170.7 | 173.6 | -177.8 | 176.6 | 0 | 112.1 | V467 I468 E474 Q475 | V467-K471 WeakPolarHBondContact O-CB 3.2Å; V467-K471 PolarHBondContact O-N 2.79Å; I468-K471 PolarHBondContact O-N 2.92Å; K471-E474 PolarHBondContact O-N 2.68Å; K471-Q475 WeakPolarHBondContact O-CB 3.37Å; K471-Q475 WeakPolarHBondContact O-CG 3.42Å; K471-Q475 PolarHBondContact O-N 2.8Å |
| 472 | R | 86.3 | Confident | 87.8 | Confident | 171 Ų | 171 | 90.5 Ų | 90.5 | 65% | 0.645 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -63.6 | -42 | 174.5 | -78.5 | -176.2 | 173 | -178.2 | -0.9 | 111.7 | I468 V469 Q475 T476 | I468-R472 HydrophobicContact CG2-CG 4.42Å; I468-R472 WeakPolarHBondContact O-CB 2.9Å; I468-R472 WeakPolarHBondContact O-CG 3.22Å; I468-R472 PolarHBondContact O-N 2.88Å; V469-R472 PolarHBondContact O-N 2.83Å; R472-Q475 PolarHBondContact O-N 3.41Å; R472-T476 WeakPolarHBondContact O-CB 3.22Å; R472-T476 PolarHBondContact O-N 2.86Å; R472-T476 PolarHBondContact O-OG1 2.92Å |
| 473 | R | 84.3 | Confident | 87.8 | Confident | 186 Ų | 186 | 91.7 Ų | 91.7 | 70% | 0.702 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.7 | -44.3 | 176 | -170.8 | 176.1 | -179.1 | 178.4 | 0.3 | 111 | V469 L470 T476 R477 | V469-R473 VanDerWaalsContact O-CB 3.23Å; V469-R473 WeakPolarHBondContact O-CB 3.37Å; V469-R473 PolarHBondContact O-N 2.78Å; L470-R473 PolarHBondContact O-N 3.48Å; R473-T476 PolarHBondContact O-N 2.88Å; R473-R477 VanDerWaalsContact O-CB 3.32Å; R473-R477 WeakPolarHBondContact O-CB 3.46Å; R473-R477 PolarHBondContact O-N 3.29Å |
| 474 | E | 85.9 | Confident | 87.5 | Confident | 77 Ų | 77 | 89.1 Ų | 89.1 | 36% | 0.36 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 176.3 | -177 | 66.3 | -178.9 | 0 | 0 | 112.2 | L470 K471 R477 V478 | L470-E474 WeakPolarHBondContact O-CB 3.47Å; L470-E474 PolarHBondContact O-N 2.81Å; K471-E474 PolarHBondContact O-N 2.68Å; E474-R477 VanDerWaalsContact CD-NH2 3.33Å; E474-R477 WeakPolarHBondContact O-CB 3.5Å; E474-R477 PolarHBondContact O-N 3.26Å; E474-R477 IonicContact OE1-CZ 3.85Å; E474-R477 IonicContact OE1-NE 3.9Å; E474-R477 IonicContact OE1-NH2 3.73Å; E474-R477 PolarHBondContact OE1-NH2 2.8Å; E474-R477 IonicContact OE2-CZ 3.36Å; E474-R477 IonicContact OE2-NE 2.81Å; E474-R477 PolarHBondContact OE2-NE 3.37Å; E474-R477 IonicContact OE2-NH2 3.51Å; E474-R477 PolarHBondContact OE2-NH2 3.47Å; E474-V478 WeakPolarHBondContact O-CG2 3.37Å; E474-V478 PolarHBondContact O-N 2.95Å |
| 475 | Q | 87 | Confident | 87.4 | Confident | 105 Ų | 105 | 88.9 Ų | 88.9 | 49% | 0.491 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 176.8 | -76.3 | 178.4 | -20.4 | 0 | 0 | 112.5 | K471 R472 R477 V478 K479 | K471-Q475 WeakPolarHBondContact O-CB 3.37Å; K471-Q475 WeakPolarHBondContact O-CG 3.42Å; K471-Q475 PolarHBondContact O-N 2.8Å; R472-Q475 PolarHBondContact O-N 3.41Å; Q475-R477 VanDerWaalsContact C-N 3.33Å; Q475-V478 PolarHBondContact O-N 2.79Å; Q475-K479 WeakPolarHBondContact O-CG 3Å; Q475-K479 PolarHBondContact O-N 2.82Å |
| 476 | T | 86.9 | Confident | 87.1 | Confident | 78 Ų | 78 | 92 Ų | 92 | 48% | 0.479 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 177.6 | -55 | 0 | 0 | 0 | 0 | 110.6 | R472 R473 K479 Q480 | R472-T476 WeakPolarHBondContact O-CB 3.22Å; R472-T476 PolarHBondContact O-N 2.86Å; R472-T476 PolarHBondContact O-OG1 2.92Å; R473-T476 PolarHBondContact O-N 2.88Å; T476-K479 PolarHBondContact O-N 2.8Å; T476-Q480 WeakPolarHBondContact O-CG 3.31Å; T476-Q480 PolarHBondContact O-N 2.92Å |
| 477 | R | 86.9 | Confident | 86.6 | Confident | 32 Ų | 32 | 93.7 Ų | 93.7 | 12% | 0.121 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -58.5 | -50.1 | 175.2 | -175 | -165.1 | 75.9 | 66.7 | 2.9 | 112.1 | R473 E474 Q475 K479 Q480 L481 K565 V567 | R473-R477 VanDerWaalsContact O-CB 3.32Å; R473-R477 WeakPolarHBondContact O-CB 3.46Å; R473-R477 PolarHBondContact O-N 3.29Å; E474-R477 VanDerWaalsContact CD-NH2 3.33Å; E474-R477 WeakPolarHBondContact O-CB 3.5Å; E474-R477 PolarHBondContact O-N 3.26Å; E474-R477 IonicContact OE1-CZ 3.85Å; E474-R477 IonicContact OE1-NE 3.9Å; E474-R477 IonicContact OE1-NH2 3.73Å; E474-R477 PolarHBondContact OE1-NH2 2.8Å; E474-R477 IonicContact OE2-CZ 3.36Å; E474-R477 IonicContact OE2-NE 2.81Å; E474-R477 PolarHBondContact OE2-NE 3.37Å; E474-R477 IonicContact OE2-NH2 3.51Å; E474-R477 PolarHBondContact OE2-NH2 3.47Å; Q475-R477 VanDerWaalsContact C-N 3.33Å; R477-K479 VanDerWaalsContact C-N 3.34Å; R477-K479 PolarHBondContact O-N 2.89Å; R477-Q480 PolarHBondContact O-N 3.48Å; R477-L481 WeakPolarHBondContact O-CG 3.35Å; R477-L481 PolarHBondContact O-N 2.85Å; R477-K565 VanDerWaalsContact CD-O 3.25Å; R477-K565 WeakPolarHBondContact CD-O 3.32Å; R477-K565 PolarHBondContact NH1-O 2.74Å; R477-V567 HydrophobicContact CG-CG2 3.83Å |
| 478 | V | 87.2 | Confident | 86.1 | Confident | 37 Ų | 37 | 89.6 Ų | 89.6 | 22% | 0.224 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 179.3 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | E474 Q475 L481 K482 V601 | E474-V478 WeakPolarHBondContact O-CG2 3.37Å; E474-V478 PolarHBondContact O-N 2.95Å; Q475-V478 PolarHBondContact O-N 2.79Å; V478-L481 PolarHBondContact O-N 2.77Å; V478-K482 HydrophobicContact CG1-CD 4.2Å; V478-K482 HydrophobicContact CG1-CG 4.36Å; V478-K482 WeakPolarHBondContact O-CB 3.33Å; V478-K482 WeakPolarHBondContact O-CG 3.32Å; V478-K482 PolarHBondContact O-N 2.8Å; V478-V601 HydrophobicContact CG1-CG1 3.98Å |
| 479 | K | 88.6 | Confident | 85.2 | Confident | 155 Ų | 155 | 88 Ų | 88 | 67% | 0.674 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -60.5 | -45.8 | 175.2 | -75.3 | -179.3 | 178.4 | -173.1 | 0 | 111.9 | Q475 T476 R477 L481 K482 E483 | Q475-K479 WeakPolarHBondContact O-CG 3Å; Q475-K479 PolarHBondContact O-N 2.82Å; T476-K479 PolarHBondContact O-N 2.8Å; R477-K479 VanDerWaalsContact C-N 3.34Å; R477-K479 PolarHBondContact O-N 2.89Å; K479-L481 PolarHBondContact O-N 2.56Å; K479-K482 PolarHBondContact O-N 2.94Å; K479-E483 WeakPolarHBondContact O-CB 3.42Å; K479-E483 PolarHBondContact O-N 2.79Å |
| 480 | Q | 87.4 | Confident | 84 | Confident | 99 Ų | 99 | 87.7 Ų | 87.7 | 46% | 0.463 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 177.3 | -73.3 | 173.5 | -33.3 | 0 | 0 | 112.2 | T476 R477 E483 M484 V567 | T476-Q480 WeakPolarHBondContact O-CG 3.31Å; T476-Q480 PolarHBondContact O-N 2.92Å; R477-Q480 PolarHBondContact O-N 3.48Å; Q480-E483 PolarHBondContact O-N 3.22Å; Q480-M484 WeakPolarHBondContact O-CB 3.14Å; Q480-M484 PolarHBondContact O-N 2.86Å; Q480-V567 HydrophobicContact CB-CG1 4.1Å; Q480-V567 HydrophobicContact CB-CG2 4.22Å |
| 481 | L | 86.2 | Confident | 82.5 | Confident | 0 Ų | 0 | 84.8 Ų | 84.8 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -69.6 | -39 | 178.4 | -66.8 | -175.6 | 0 | 0 | 0 | 113 | R477 V478 K479 E483 M484 Y485 V567 Q570 M600 V601 | R477-L481 WeakPolarHBondContact O-CG 3.35Å; R477-L481 PolarHBondContact O-N 2.85Å; V478-L481 PolarHBondContact O-N 2.77Å; K479-L481 PolarHBondContact O-N 2.56Å; L481-E483 VanDerWaalsContact C-N 3.31Å; L481-E483 PolarHBondContact O-N 2.81Å; L481-M484 HydrophobicContact CD2-CE 4.47Å; L481-M484 PolarHBondContact O-N 2.9Å; L481-Y485 WeakPolarHBondContact O-CB 3.49Å; L481-Y485 PolarHBondContact O-N 3.45Å; L481-V567 HydrophobicContact CD2-CB 4.36Å; L481-V567 HydrophobicContact CD2-CG1 4.32Å; L481-V567 HydrophobicContact CD2-CG2 3.93Å; L481-V567 HydrophobicContact CG-CG2 4.14Å; L481-Q570 HydrophobicContact CD2-CB 4.28Å; L481-Q570 HydrophobicContact CD2-CG 4.36Å; L481-M600 HydrophobicContact CD2-CE 4.3Å; L481-M600 WeakPolarHBondContact O-CE 3.25Å; L481-V601 HydrophobicContact CB-CG2 4.3Å |
| 482 | K | 87.4 | Confident | 80.5 | Confident | 128 Ų | 128 | 84.5 Ų | 84.5 | 56% | 0.557 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.9 | -41.7 | 173.9 | -77.7 | -174.1 | 175.2 | -165.3 | 0 | 111.4 | V478 K479 Y485 R486 V601 | V478-K482 HydrophobicContact CG1-CD 4.2Å; V478-K482 HydrophobicContact CG1-CG 4.36Å; V478-K482 WeakPolarHBondContact O-CB 3.33Å; V478-K482 WeakPolarHBondContact O-CG 3.32Å; V478-K482 PolarHBondContact O-N 2.8Å; K479-K482 PolarHBondContact O-N 2.94Å; K482-Y485 PolarHBondContact O-N 3.1Å; K482-R486 WeakPolarHBondContact O-CB 3.45Å; K482-R486 PolarHBondContact O-N 2.81Å; K482-V601 HydrophobicContact CG-CG1 4.21Å; K482-V601 HydrophobicContact CG-CG2 3.9Å |
| 483 | E | 86.5 | Confident | 78.4 | Confident | 73 Ų | 73 | 83.6 Ų | 83.6 | 34% | 0.341 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.7 | -41 | 176.2 | 178.7 | 58.1 | -166 | 0 | 0 | 111.8 | K479 Q480 L481 R486 K487 | K479-E483 WeakPolarHBondContact O-CB 3.42Å; K479-E483 PolarHBondContact O-N 2.79Å; Q480-E483 PolarHBondContact O-N 3.22Å; L481-E483 VanDerWaalsContact C-N 3.31Å; L481-E483 PolarHBondContact O-N 2.81Å; E483-R486 PolarHBondContact O-N 3.26Å; E483-R486 IonicContact OE1-CZ 2.85Å; E483-R486 IonicContact OE1-NE 2.64Å; E483-R486 IonicContact OE1-NH2 3.57Å; E483-R486 PolarHBondContact OE1-NH2 3.33Å; E483-R486 IonicContact OE2-CZ 3.9Å; E483-R486 IonicContact OE2-NE 3.18Å; E483-R486 PolarHBondContact OE2-NE 2.86Å; E483-R486 IonicContact OE2-NH2 3.91Å; E483-R486 PolarHBondContact OE2-NH2 3.38Å; E483-K487 WeakPolarHBondContact O-CB 3.26Å; E483-K487 WeakPolarHBondContact O-CG 3.36Å; E483-K487 PolarHBondContact O-N 3.49Å; E483-K487 WeakPolarHBondContact OE1-CE 3.44Å |
| 484 | M | 84.5 | Confident | 76.5 | Confident | 28 Ų | 28 | 79.2 Ų | 79.2 | 14% | 0.138 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 175.2 | -170.7 | -172.7 | -63.7 | 0 | 0 | 111.7 | Q480 L481 K487 L488 V567 Q570 L574 M600 | Q480-M484 WeakPolarHBondContact O-CB 3.14Å; Q480-M484 PolarHBondContact O-N 2.86Å; L481-M484 HydrophobicContact CD2-CE 4.47Å; L481-M484 PolarHBondContact O-N 2.9Å; M484-K487 PolarHBondContact O-N 3.45Å; M484-L488 PolarHBondContact O-N 3.47Å; M484-V567 HydrophobicContact CE-CG1 3.84Å; M484-Q570 HydrophobicContact SD-CB 4.3Å; M484-L574 HydrophobicContact CG-CD2 3.44Å; M484-L574 VanDerWaalsContact CG-CD2 3.44Å; M484-L574 HydrophobicContact SD-CD2 3.74Å; M484-M600 HydrophobicContact CB-CE 3.73Å; M484-M600 HydrophobicContact CG-CE 3.72Å; M484-M600 HydrophobicContact SD-CE 3.58Å; M484-M600 VanDerWaalsContact SD-CE 3.58Å |
| 485 | Y | 85.3 | Confident | 74.5 | Confident | 66 Ų | 66 | 79.4 Ų | 79.4 | 26% | 0.259 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 173.3 | -178 | -107.3 | 0 | 0 | 0 | 112 | L481 K482 K487 L488 H489 M600 | L481-Y485 WeakPolarHBondContact O-CB 3.49Å; L481-Y485 PolarHBondContact O-N 3.45Å; K482-Y485 PolarHBondContact O-N 3.1Å; Y485-K487 PolarHBondContact O-N 2.9Å; Y485-L488 WeakPolarHBondContact O-CB 3.41Å; Y485-L488 PolarHBondContact O-N 2.68Å; Y485-L488 VanDerWaalsContact O-N 3.17Å; Y485-H489 AromaticContact CD2-CD2 3.67Å; Y485-H489 AromaticContact CD2-NE2 3.89Å; Y485-H489 AromaticContact CE1-CD2 3.98Å; Y485-H489 AromaticContact CE2-CD2 3.18Å; Y485-H489 WeakPolarHBondContact CE2-CD2 3.48Å; Y485-H489 AromaticContact CE2-NE2 3.11Å; Y485-H489 WeakPolarHBondContact CE2-NE2 3.44Å; Y485-H489 AromaticContact CZ-CD2 3.34Å; Y485-H489 AromaticContact CZ-NE2 3.49Å; Y485-H489 PolarHBondContact O-N 2.95Å; Y485-H489 VanDerWaalsContact O-N 3.15Å; Y485-H489 PolarHBondContact OH-NE2 3.43Å; Y485-M600 VanDerWaalsContact CA-SD 3.57Å; Y485-M600 VanDerWaalsContact CB-SD 3.53Å; Y485-M600 HydrophobicContact CD2-CG 3.87Å; Y485-M600 HydrophobicContact CD2-SD 3.71Å; Y485-M600 HydrophobicContact CG-CG 4.33Å; Y485-M600 HydrophobicContact CG-SD 4.12Å |
| 486 | R | 82 | Confident | 72.9 | Confident | 120 Ų | 120 | 79.1 Ų | 79.1 | 45% | 0.453 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -59.3 | -47.1 | 177 | -170.7 | -168.5 | 71.3 | 77.6 | -0.7 | 111.3 | K482 E483 L488 H489 C490 | K482-R486 WeakPolarHBondContact O-CB 3.45Å; K482-R486 PolarHBondContact O-N 2.81Å; E483-R486 PolarHBondContact O-N 3.26Å; E483-R486 IonicContact OE1-CZ 2.85Å; E483-R486 IonicContact OE1-NE 2.64Å; E483-R486 IonicContact OE1-NH2 3.57Å; E483-R486 PolarHBondContact OE1-NH2 3.33Å; E483-R486 IonicContact OE2-CZ 3.9Å; E483-R486 IonicContact OE2-NE 3.18Å; E483-R486 PolarHBondContact OE2-NE 2.86Å; E483-R486 IonicContact OE2-NH2 3.91Å; E483-R486 PolarHBondContact OE2-NH2 3.38Å; R486-L488 VanDerWaalsContact C-N 3.26Å; R486-L488 PolarHBondContact O-N 2.92Å; R486-H489 PolarHBondContact O-N 3.3Å; R486-C490 VanDerWaalsContact CG-SG 3.6Å; R486-C490 VanDerWaalsContact O-CB 3.23Å; R486-C490 WeakPolarHBondContact O-CB 3.16Å; R486-C490 PolarHBondContact O-N 3.45Å; R486-C490 PolarHBondContact O-SG 3.15Å |
| 487 | K | 81.4 | Confident | 71.5 | Confident | 113 Ų | 113 | 78.3 Ų | 78.3 | 49% | 0.491 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.9 | -33.1 | 176.7 | -75.2 | -177.1 | 178 | -171.2 | 0 | 112.9 | E483 M484 Y485 | E483-K487 WeakPolarHBondContact O-CB 3.26Å; E483-K487 WeakPolarHBondContact O-CG 3.36Å; E483-K487 PolarHBondContact O-N 3.49Å; E483-K487 WeakPolarHBondContact OE1-CE 3.44Å; M484-K487 PolarHBondContact O-N 3.45Å; Y485-K487 PolarHBondContact O-N 2.9Å |
| 488 | L | 80 | Confident | 70.9 | Confident | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.005 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.5 | -49.1 | 176.2 | -168.8 | 64.7 | 0 | 0 | 0 | 111.3 | M484 Y485 R486 S491 Y513 L574 K578 T597 | M484-L488 PolarHBondContact O-N 3.47Å; Y485-L488 WeakPolarHBondContact O-CB 3.41Å; Y485-L488 PolarHBondContact O-N 2.68Å; Y485-L488 VanDerWaalsContact O-N 3.17Å; R486-L488 VanDerWaalsContact C-N 3.26Å; R486-L488 PolarHBondContact O-N 2.92Å; L488-S491 PolarHBondContact O-OG 3.44Å; L488-S491 VanDerWaalsContact O-OG 3.09Å; L488-Y513 HydrophobicContact CD1-CD1 4.48Å; L488-Y513 HydrophobicContact CD1-CG 3.98Å; L488-Y513 HydrophobicContact CD2-CD1 4.01Å; L488-Y513 HydrophobicContact CD2-CG 4.25Å; L488-Y513 HydrophobicContact CG-CD1 3.98Å; L488-Y513 HydrophobicContact CG-CG 3.99Å; L488-L574 HydrophobicContact CD1-CD1 3.56Å; L488-L574 HydrophobicContact CD1-CD2 4.22Å; L488-L574 HydrophobicContact CD1-CG 4.12Å; L488-L574 HydrophobicContact CD2-CD1 3.7Å; L488-L574 HydrophobicContact CG-CD1 4.21Å; L488-K578 HydrophobicContact CD1-CG 4.34Å; L488-T597 HydrophobicContact CD2-CG2 4.02Å |
| 489 | H | 72.4 | Confident | 70.2 | Confident | 59 Ų | 59 | 77.1 Ų | 77.1 | 27% | 0.273 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -89.9 | -22.9 | -173.6 | -73.7 | -77.2 | 0 | 0 | 0 | 115.8 | Y485 R486 S491 | Y485-H489 AromaticContact CD2-CD2 3.67Å; Y485-H489 AromaticContact CD2-NE2 3.89Å; Y485-H489 AromaticContact CE1-CD2 3.98Å; Y485-H489 AromaticContact CE2-CD2 3.18Å; Y485-H489 WeakPolarHBondContact CE2-CD2 3.48Å; Y485-H489 AromaticContact CE2-NE2 3.11Å; Y485-H489 WeakPolarHBondContact CE2-NE2 3.44Å; Y485-H489 AromaticContact CZ-CD2 3.34Å; Y485-H489 AromaticContact CZ-NE2 3.49Å; Y485-H489 PolarHBondContact O-N 2.95Å; Y485-H489 VanDerWaalsContact O-N 3.15Å; Y485-H489 PolarHBondContact OH-NE2 3.43Å; R486-H489 PolarHBondContact O-N 3.3Å; H489-S491 PolarHBondContact O-N 3.23Å |
| 490 | C | 63.8 | Low | 69.6 | Low | 86 Ų | 86 | 74 Ų | 74 | 58% | 0.581 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -77.2 | -1.1 | 178.7 | -71.6 | 0 | 0 | 0 | 0 | 114 | R486 V492 | R486-C490 VanDerWaalsContact CG-SG 3.6Å; R486-C490 VanDerWaalsContact O-CB 3.23Å; R486-C490 WeakPolarHBondContact O-CB 3.16Å; R486-C490 PolarHBondContact O-N 3.45Å; R486-C490 PolarHBondContact O-SG 3.15Å; C490-V492 PolarHBondContact O-N 2.87Å |
| 491 | S | 55.3 | Low | 68.9 | Low | 38 Ų | 38 | 71.5 Ų | 71.5 | 27% | 0.266 | 40% | 0.398 | S | S | . | . | trans | -84.9 | 50.6 | -174.7 | 66.7 | 0 | 0 | 0 | 0 | 113.3 | L488 H489 T512 | L488-S491 PolarHBondContact O-OG 3.44Å; L488-S491 VanDerWaalsContact O-OG 3.09Å; H489-S491 PolarHBondContact O-N 3.23Å; S491-T512 WeakPolarHBondContact O-CG2 3.29Å; S491-T512 WeakPolarHBondContact OG-CA 3.32Å | ||
| 492 | V | 46.2 | Very low | 68.5 | Low | 122 Ų | 122 | 74.6 Ų | 74.6 | 74% | 0.739 | 41% | 0.414 | S | S | * | . | trans | -106.5 | 34.5 | -176.3 | -163.8 | 0 | 0 | 0 | 0 | 112.6 | C490 | C490-V492 PolarHBondContact O-N 2.87Š| ||
| 493 | D | 41.1 | Very low | 68.2 | Low | 153 Ų | 153 | 69.5 Ų | 69.5 | 82% | 0.818 | 40% | 0.395 | S | S | * | . | trans | -99 | 103 | 166.6 | -83.7 | -18.9 | 0 | 0 | 0 | 109.5 | S495 | D493-S495 VanDerWaalsContact C-N 3.26Å; D493-S495 PolarHBondContact O-N 3.43Å | ||
| 494 | G | 43.4 | Very low | 68.1 | Low | 94 Ų | 94 | 66.1 Ų | 66.1 | 97% | 0.969 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -65.5 | 54.5 | -169.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 495 | S | 45.7 | Very low | 68 | Low | 81 Ų | 81 | 64.8 Ų | 64.8 | 57% | 0.566 | 37% | 0.372 | S | S | * | . | trans | -143.8 | 94.8 | 161.5 | 62.4 | 0 | 0 | 0 | 0 | 111.2 | D493 K497 | D493-S495 VanDerWaalsContact C-N 3.26Å; D493-S495 PolarHBondContact O-N 3.43Å; S495-K497 PolarHBondContact O-N 3.07Å; S495-K497 VanDerWaalsContact O-N 3.16Å | ||
| 496 | L | 53.2 | Low | 67.8 | Low | 99 Ų | 99 | 65 Ų | 65 | 52% | 0.518 | 38% | 0.376 | S | S | . | . | trans | -61.3 | 113.2 | 172.5 | -99.1 | 133.9 | 0 | 0 | 0 | 109.7 | V498 L511 Y582 | L496-V498 HydrophobicContact CD2-CG2 3.84Å; L496-L511 HydrophobicContact CD2-CD2 4.19Å; L496-Y582 HydrophobicContact CD2-CD2 4.19Å; L496-Y582 HydrophobicContact CD2-CE2 4.25Å | ||
| 497 | K | 57.9 | Low | 67.8 | Low | 61 Ų | 61 | 59.6 Ų | 59.6 | 27% | 0.265 | 36% | 0.355 | S | S | . | . | trans | -108.9 | 71 | 169.6 | -74.8 | 170.2 | 177.4 | 168 | 0 | 109.3 | V337 Q339 S495 D499 | V337-K497 HydrophobicContact CG1-CG 4.25Å; Q339-K497 HydrophobicContact CB-CD 4.1Å; Q339-K497 HydrophobicContact CG-CD 3.79Å; Q339-K497 HydrophobicContact CG-CG 4.19Å; S495-K497 PolarHBondContact O-N 3.07Å; S495-K497 VanDerWaalsContact O-N 3.16Å; K497-D499 PolarHBondContact O-N 3.26Å | ||
| 498 | V | 72.7 | Confident | 67.8 | Low | 31 Ų | 31 | 54.7 Ų | 54.7 | 19% | 0.188 | 34% | 0.335 | C | S | . | . | trans | -70 | 121 | 163.5 | -178.1 | 0 | 0 | 0 | 0 | 106.5 | L496 P500 L504 L511 Y582 | L496-V498 HydrophobicContact CD2-CG2 3.84Å; V498-P500 VanDerWaalsContact O-CD 3.3Å; V498-P500 WeakPolarHBondContact O-CD 3.45Å; V498-L504 HydrophobicContact CG1-CD1 4.07Å; V498-L511 HydrophobicContact CG2-CD2 4.02Å; V498-Y582 HydrophobicContact CG2-CD2 4.45Å; V498-Y582 HydrophobicContact CG2-CE2 3.72Å | ||
| 499 | D | 74.1 | Confident | 67.7 | Low | 12 Ų | 12 | 61.5 Ų | 61.5 | 6% | 0.064 | 37% | 0.367 | C | S | . | . | trans | -74.4 | 115 | 175.2 | -171.2 | -24 | 0 | 0 | 0 | 108.7 | K497 T501 L502 Q507 | K497-D499 PolarHBondContact O-N 3.26Å; D499-T501 PolarHBondContact O-N 2.64Å; D499-T501 VanDerWaalsContact O-N 3.16Å; D499-T501 WeakPolarHBondContact OD1-CB 3.4Å; D499-T501 WeakPolarHBondContact OD1-CG2 3.38Å; D499-T501 PolarHBondContact OD1-N 3.46Å; D499-T501 PolarHBondContact OD1-OG1 2.89Å; D499-T501 PolarHBondContact OD2-OG1 3.12Å; D499-L502 PolarHBondContact O-N 2.77Å; D499-Q507 VanDerWaalsContact CB-OE1 3.26Å; D499-Q507 PolarHBondContact O-NE2 2.77Å | ||
| 500 | P | 74.8 | Confident | 67.9 | Low | 90 Ų | 90 | 63.5 Ų | 63.5 | 58% | 0.584 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -12.9 | -178.9 | 28.6 | -35.5 | 0 | 0 | 0 | 113.2 | A242 V498 N713 | A242-P500 HydrophobicContact CB-CG 4.42Å; V498-P500 VanDerWaalsContact O-CD 3.3Å; V498-P500 WeakPolarHBondContact O-CD 3.45Å; P500-N713 PolarHBondContact O-ND2 3.21Å; P500-N713 VanDerWaalsContact O-ND2 3.17Å |
| 501 | T | 73.5 | Confident | 68.7 | Low | 46 Ų | 46 | 59.5 Ų | 59.5 | 28% | 0.282 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -19.4 | 178 | 64.7 | 0 | 0 | 0 | 0 | 113.8 | N240 A242 D499 | N240-T501 HydrophobicContact CB-CG2 4.46Å; N240-T501 PolarHBondContact ND2-OG1 3.33Å; A242-T501 HydrophobicContact CB-CG2 3.39Å; D499-T501 PolarHBondContact O-N 2.64Å; D499-T501 VanDerWaalsContact O-N 3.16Å; D499-T501 WeakPolarHBondContact OD1-CB 3.4Å; D499-T501 WeakPolarHBondContact OD1-CG2 3.38Å; D499-T501 PolarHBondContact OD1-N 3.46Å; D499-T501 PolarHBondContact OD1-OG1 2.89Å; D499-T501 PolarHBondContact OD2-OG1 3.12Å |
| 502 | L | 77.4 | Confident | 69.7 | Low | 65 Ų | 65 | 59.9 Ų | 59.9 | 34% | 0.34 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -111.6 | 139.4 | -177.6 | -70.3 | 173 | 0 | 0 | 0 | 109.7 | D499 L504 Q507 N713 | D499-L502 PolarHBondContact O-N 2.77Å; L502-L504 PolarHBondContact O-N 2.9Å; L502-Q507 HydrophobicContact CB-CG 4.27Å; L502-Q507 VanDerWaalsContact CB-NE2 3.33Å; L502-Q507 HydrophobicContact CD1-CG 4.47Å; L502-Q507 PolarHBondContact O-NE2 3.32Å; L502-N713 VanDerWaalsContact C-ND2 3.25Å; L502-N713 PolarHBondContact O-ND2 3.23Å |
| 503 | P | 82 | Confident | 71.5 | Confident | 22 Ų | 22 | 54.8 Ų | 54.8 | 14% | 0.143 | 32% | 0.316 | C | S | . | . | trans | -52.9 | 142.5 | 174.9 | -25.4 | 34.1 | 0 | 0 | 0 | 111.6 | N505 E506 N713 I715 | P503-N505 PolarHBondContact O-N 3.24Å; P503-N505 VanDerWaalsContact O-N 3.1Å; P503-E506 PolarHBondContact O-N 3.31Å; P503-N713 CarbonylContact C-O 3.52Å; P503-N713 WeakPolarHBondContact CA-O 3.49Å; P503-I715 HydrophobicContact CB-CD1 3.71Å; P503-I715 HydrophobicContact CB-CG1 4.29Å; P503-I715 HydrophobicContact CG-CD1 3.65Å | ||
| 504 | L | 84.5 | Confident | 73.3 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -55.4 | -32.9 | 178.8 | -176.7 | 62.6 | 0 | 0 | 0 | 111.7 | V498 L502 E506 Q507 T508 L511 Y582 N713 L714 | V498-L504 HydrophobicContact CG1-CD1 4.07Å; L502-L504 PolarHBondContact O-N 2.9Å; L504-E506 PolarHBondContact O-N 3.04Å; L504-Q507 PolarHBondContact O-N 3.06Å; L504-Q507 VanDerWaalsContact O-N 3.14Å; L504-T508 PolarHBondContact O-N 3.28Å; L504-L511 HydrophobicContact CD1-CD1 3.97Å; L504-L511 HydrophobicContact CD1-CD2 3.9Å; L504-L511 HydrophobicContact CD1-CG 4.39Å; L504-L511 HydrophobicContact CG-CD1 4.41Å; L504-Y582 HydrophobicContact CD1-CD1 3.95Å; L504-Y582 HydrophobicContact CD1-CE1 3.9Å; L504-Y582 HydrophobicContact CD1-CG 4.4Å; L504-Y582 HydrophobicContact CD2-CD1 3.37Å; L504-Y582 HydrophobicContact CD2-CE1 3.61Å; L504-Y582 HydrophobicContact CD2-CG 4.34Å; L504-Y582 HydrophobicContact CG-CD1 4.33Å; L504-Y582 HydrophobicContact CG-CE1 4.43Å; L504-N713 PolarHBondContact N-O 3.08Å; L504-L714 HydrophobicContact CB-CB 4.31Å; L504-L714 HydrophobicContact CB-CD1 3.97Å; L504-L714 HydrophobicContact CD2-CB 4.24Å; L504-L714 HydrophobicContact CD2-CD1 3.98Å; L504-L714 HydrophobicContact CG-CD1 4.2Å |
| 505 | N | 82.1 | Confident | 75 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -57.2 | -30.1 | 176.2 | -46.8 | 88.1 | 0 | 0 | 0 | 113.7 | P503 L714 I715 T740 | P503-N505 PolarHBondContact O-N 3.24Å; P503-N505 VanDerWaalsContact O-N 3.1Å; N505-L714 VanDerWaalsContact ND2-CD1 3.26Å; N505-L714 WeakPolarHBondContact ND2-CD1 3.32Å; N505-I715 PolarHBondContact ND2-O 3.15Å; N505-I715 PolarHBondContact OD1-N 3.31Å; N505-I715 PolarHBondContact OD1-O 3.3Å; N505-T740 VanDerWaalsContact ND2-CB 3.25Å; N505-T740 WeakPolarHBondContact ND2-CB 3.27Å; N505-T740 WeakPolarHBondContact ND2-CG2 3.34Å |
| 506 | E | 80.4 | Confident | 76.7 | Confident | 72 Ų | 72 | 53.1 Ų | 53.1 | 34% | 0.336 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -91.8 | -0.1 | -177.3 | -64.3 | -174.9 | -167.5 | 0 | 0 | 113.2 | P503 L504 Q742 | P503-E506 PolarHBondContact O-N 3.31Å; L504-E506 PolarHBondContact O-N 3.04Å; E506-Q742 VanDerWaalsContact O-CD 3.26Å; E506-Q742 PolarHBondContact O-NE2 3.04Å; E506-Q742 PolarHBondContact O-OE1 2.55Å |
| 507 | Q | 82.5 | Confident | 78.4 | Confident | 6 Ų | 6 | 51 Ų | 51 | 3% | 0.028 | 26% | 0.258 | C | S | . | . | trans | -128.2 | 17.6 | -175.8 | -61.3 | -175.1 | 80.4 | 0 | 0 | 112.4 | D499 L502 L504 E509 K510 | D499-Q507 VanDerWaalsContact CB-OE1 3.26Å; D499-Q507 PolarHBondContact O-NE2 2.77Å; L502-Q507 HydrophobicContact CB-CG 4.27Å; L502-Q507 VanDerWaalsContact CB-NE2 3.33Å; L502-Q507 HydrophobicContact CD1-CG 4.47Å; L502-Q507 PolarHBondContact O-NE2 3.32Å; L504-Q507 PolarHBondContact O-N 3.06Å; L504-Q507 VanDerWaalsContact O-N 3.14Å; Q507-E509 PolarHBondContact O-N 3.43Å; Q507-K510 HydrophobicContact CB-CD 4.29Å; Q507-K510 WeakPolarHBondContact O-CB 3.43Å; Q507-K510 PolarHBondContact O-N 3.43Å | ||
| 508 | T | 80.4 | Confident | 79.8 | Confident | 9 Ų | 9 | 49.5 Ų | 49.5 | 6% | 0.055 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -58.2 | -30 | -178.5 | 54.5 | 0 | 0 | 0 | 0 | 113.1 | L504 K510 L511 K578 I579 | L504-T508 PolarHBondContact O-N 3.28Å; T508-K510 PolarHBondContact O-N 2.74Å; T508-L511 WeakPolarHBondContact O-CB 3.35Å; T508-L511 PolarHBondContact O-N 3.17Å; T508-L511 VanDerWaalsContact O-N 3.16Å; T508-K578 VanDerWaalsContact O-CD 3.31Å; T508-K578 WeakPolarHBondContact O-CD 3.39Å; T508-I579 HydrophobicContact CG2-CD1 3.8Å; T508-I579 HydrophobicContact CG2-CG1 3.87Å |
| 509 | E | 78.2 | Confident | 80.6 | Confident | 145 Ų | 145 | 48.3 Ų | 48.3 | 68% | 0.678 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -60.5 | -33.2 | 173.9 | -66.1 | -163.9 | 156.7 | 0 | 0 | 112.8 | Q507 L511 K578 | Q507-E509 PolarHBondContact O-N 3.43Å; E509-L511 VanDerWaalsContact C-N 3.3Å; E509-K578 PolarHBondContact O-NZ 3.2Å |
| 510 | K | 77 | Confident | 81.2 | Confident | 100 Ų | 100 | 49.2 Ų | 49.2 | 44% | 0.435 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -77.6 | -14.7 | 179.1 | -57.4 | -177 | -174.9 | 171.7 | 0 | 113.4 | Q507 T508 | Q507-K510 HydrophobicContact CB-CD 4.29Å; Q507-K510 WeakPolarHBondContact O-CB 3.43Å; Q507-K510 PolarHBondContact O-N 3.43Å; T508-K510 PolarHBondContact O-N 2.74Å |
| 511 | L | 81.2 | Confident | 81.8 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -75 | 132.7 | 179 | -59.7 | 179.9 | 0 | 0 | 0 | 110.1 | L496 V498 L504 T508 E509 K578 I579 Y582 | L496-L511 HydrophobicContact CD2-CD2 4.19Å; V498-L511 HydrophobicContact CG2-CD2 4.02Å; L504-L511 HydrophobicContact CD1-CD1 3.97Å; L504-L511 HydrophobicContact CD1-CD2 3.9Å; L504-L511 HydrophobicContact CD1-CG 4.39Å; L504-L511 HydrophobicContact CG-CD1 4.41Å; T508-L511 WeakPolarHBondContact O-CB 3.35Å; T508-L511 PolarHBondContact O-N 3.17Å; T508-L511 VanDerWaalsContact O-N 3.16Å; E509-L511 VanDerWaalsContact C-N 3.3Å; L511-K578 HydrophobicContact CB-CB 3.91Å; L511-K578 HydrophobicContact CB-CD 4.31Å; L511-K578 HydrophobicContact CB-CG 4.47Å; L511-K578 HydrophobicContact CD1-CB 4.27Å; L511-K578 WeakPolarHBondContact O-CD 3.42Å; L511-K578 WeakPolarHBondContact O-CE 3.34Å; L511-K578 PolarHBondContact O-NZ 2.94Å; L511-I579 HydrophobicContact CD1-CG1 4.24Å; L511-Y582 HydrophobicContact CD2-CD2 3.76Å; L511-Y582 HydrophobicContact CD2-CE2 4.39Å; L511-Y582 HydrophobicContact CD2-CG 4.01Å |
| 512 | T | 75.6 | Confident | 82.4 | Confident | 46 Ų | 46 | 52.2 Ų | 52.2 | 28% | 0.282 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -86.9 | 150.7 | -179.9 | 58.9 | 0 | 0 | 0 | 0 | 110.9 | S491 | S491-T512 WeakPolarHBondContact O-CG2 3.29Å; S491-T512 WeakPolarHBondContact OG-CA 3.32Å |
| 513 | Y | 83 | Confident | 82.8 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 6% | 0.063 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -101.1 | 130.8 | 170.2 | 175.5 | -113.1 | 0 | 0 | 0 | 110.4 | L488 E518 L577 V581 A595 T597 | L488-Y513 HydrophobicContact CD1-CD1 4.48Å; L488-Y513 HydrophobicContact CD1-CG 3.98Å; L488-Y513 HydrophobicContact CD2-CD1 4.01Å; L488-Y513 HydrophobicContact CD2-CG 4.25Å; L488-Y513 HydrophobicContact CG-CD1 3.98Å; L488-Y513 HydrophobicContact CG-CG 3.99Å; Y513-E518 PolarHBondContact OH-N 3.43Å; Y513-E518 PolarHBondContact OH-OE2 2.85Å; Y513-L577 HydrophobicContact CD2-CD2 3.95Å; Y513-L577 HydrophobicContact CD2-CG 4.13Å; Y513-L577 HydrophobicContact CE2-CD1 4.13Å; Y513-L577 HydrophobicContact CE2-CD2 3.72Å; Y513-L577 HydrophobicContact CE2-CG 4.09Å; Y513-V581 HydrophobicContact CD2-CG2 4.19Å; Y513-A595 HydrophobicContact CE2-CB 4.29Å; Y513-T597 HydrophobicContact CE1-CG2 3.92Å; Y513-T597 HydrophobicContact CE2-CG2 4.33Å |
| 514 | D | 80.3 | Confident | 83.3 | Confident | 37 Ų | 37 | 49.1 Ų | 49.1 | 20% | 0.198 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -92 | 120.3 | 178.8 | 179.7 | -8.3 | 0 | 0 | 0 | 110.2 | R516 Y517 V581 | D514-R516 PolarHBondContact O-N 3.17Å; D514-R516 VanDerWaalsContact O-N 3.08Å; D514-R516 VanDerWaalsContact OD1-CB 3.29Å; D514-R516 WeakPolarHBondContact OD1-CB 3.31Å; D514-R516 VanDerWaalsContact OD1-CG 3.27Å; D514-R516 WeakPolarHBondContact OD1-CG 3.36Å; D514-R516 PolarHBondContact OD1-N 2.86Å; D514-R516 IonicContact OD1-NE 3.81Å; D514-R516 PolarHBondContact OD1-NE 2.94Å; D514-R516 IonicContact OD2-CZ 3.84Å; D514-R516 IonicContact OD2-NE 2.82Å; D514-R516 PolarHBondContact OD2-NE 3.4Å; D514-R516 IonicContact OD2-NH2 3.13Å; D514-R516 PolarHBondContact OD2-NH2 3.19Å; D514-Y517 HydrophobicContact CB-CD2 3.98Å; D514-Y517 HydrophobicContact CB-CE2 4.27Å; D514-Y517 PolarHBondContact O-N 3.2Å; D514-Y517 VanDerWaalsContact O-N 3.15Å; D514-V581 HydrophobicContact CB-CG1 4.28Å |
| 515 | S | 79.4 | Confident | 83.5 | Confident | 84 Ų | 84 | 53.7 Ų | 53.7 | 59% | 0.587 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -61.9 | -15.8 | -179 | 55.8 | 0 | 0 | 0 | 0 | 114 | Y517 E518 | S515-Y517 PolarHBondContact O-N 3.02Å; S515-E518 VanDerWaalsContact O-CB 3.31Å; S515-E518 WeakPolarHBondContact O-CB 3.47Å; S515-E518 PolarHBondContact O-N 3.07Å |
| 516 | R | 80.2 | Confident | 84.1 | Confident | 172 Ų | 172 | 57.1 Ų | 57.1 | 65% | 0.649 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -65.7 | -17.5 | 175 | -65.7 | -179.1 | -65.5 | 172.7 | 1.5 | 113.9 | D514 R905 | D514-R516 PolarHBondContact O-N 3.17Å; D514-R516 VanDerWaalsContact O-N 3.08Å; D514-R516 VanDerWaalsContact OD1-CB 3.29Å; D514-R516 WeakPolarHBondContact OD1-CB 3.31Å; D514-R516 VanDerWaalsContact OD1-CG 3.27Å; D514-R516 WeakPolarHBondContact OD1-CG 3.36Å; D514-R516 PolarHBondContact OD1-N 2.86Å; D514-R516 IonicContact OD1-NE 3.81Å; D514-R516 PolarHBondContact OD1-NE 2.94Å; D514-R516 IonicContact OD2-CZ 3.84Å; D514-R516 IonicContact OD2-NE 2.82Å; D514-R516 PolarHBondContact OD2-NE 3.4Å; D514-R516 IonicContact OD2-NH2 3.13Å; D514-R516 PolarHBondContact OD2-NH2 3.19Å; R516-R905 PolarHBondContact O-NE 2.9Å |
| 517 | Y | 88.4 | Confident | 84.7 | Confident | 55 Ų | 55 | 57.8 Ų | 57.8 | 22% | 0.216 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -86.6 | -8.5 | 172.9 | -71.1 | -77.2 | 0 | 0 | 0 | 113 | D514 S515 V519 V581 L592 G594 A595 | D514-Y517 HydrophobicContact CB-CD2 3.98Å; D514-Y517 HydrophobicContact CB-CE2 4.27Å; D514-Y517 PolarHBondContact O-N 3.2Å; D514-Y517 VanDerWaalsContact O-N 3.15Å; S515-Y517 PolarHBondContact O-N 3.02Å; Y517-V519 PolarHBondContact O-N 3.27Å; Y517-V581 HydrophobicContact CD2-CG1 4.44Å; Y517-V581 HydrophobicContact CD2-CG2 3.96Å; Y517-V581 HydrophobicContact CE2-CG1 4.09Å; Y517-V581 HydrophobicContact CE2-CG2 4.11Å; Y517-L592 HydrophobicContact CD1-CD2 3.58Å; Y517-L592 HydrophobicContact CD1-CG 3.91Å; Y517-L592 HydrophobicContact CD2-CD2 4.25Å; Y517-L592 HydrophobicContact CE1-CB 4.32Å; Y517-L592 HydrophobicContact CE1-CD2 3.8Å; Y517-L592 HydrophobicContact CE1-CG 4.09Å; Y517-L592 HydrophobicContact CE2-CD2 4.45Å; Y517-L592 HydrophobicContact CG-CD2 3.82Å; Y517-G594 CarbonylContact O-C 3.52Å; Y517-G594 WeakPolarHBondContact O-CA 3.27Å; Y517-A595 PolarHBondContact O-N 2.87Å |
| 518 | E | 89.1 | Confident | 85.1 | Confident | 29 Ų | 29 | 61.9 Ų | 61.9 | 14% | 0.136 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -69.3 | 123.9 | -177.9 | -168.5 | 67.9 | -167.5 | 0 | 0 | 111.1 | Y513 S515 A595 T597 K598 | Y513-E518 PolarHBondContact OH-N 3.43Å; Y513-E518 PolarHBondContact OH-OE2 2.85Å; S515-E518 VanDerWaalsContact O-CB 3.31Å; S515-E518 WeakPolarHBondContact O-CB 3.47Å; S515-E518 PolarHBondContact O-N 3.07Å; E518-A595 CarbonylContact C-O 3.48Å; E518-A595 WeakPolarHBondContact CA-O 3.4Å; E518-T597 VanDerWaalsContact CD-OG1 3.28Å; E518-T597 PolarHBondContact OE1-N 2.81Å; E518-T597 PolarHBondContact OE1-OG1 3.38Å; E518-T597 WeakPolarHBondContact OE2-CB 3.45Å; E518-T597 PolarHBondContact OE2-N 2.83Å; E518-T597 PolarHBondContact OE2-OG1 3.29Å; E518-K598 HydrophobicContact CG-CD 4.33Å; E518-K598 HydrophobicContact CG-CG 4.36Å; E518-K598 WeakPolarHBondContact OE1-CG 3.43Å; E518-K598 PolarHBondContact OE1-N 3.27Å |
| 519 | V | 88.9 | Confident | 85.7 | Confident | 5 Ų | 5 | 64.4 Ų | 64.4 | 3% | 0.03 | 31% | 0.313 | C | S | . | . | trans | -107.7 | 131.3 | 179.1 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | Y517 K521 A595 V596 I608 I900 | Y517-V519 PolarHBondContact O-N 3.27Å; V519-K521 PolarHBondContact O-N 2.8Å; V519-A595 PolarHBondContact N-O 3.13Å; V519-V596 HydrophobicContact CB-CG2 4.44Å; V519-V596 WeakPolarHBondContact O-CG2 3.33Å; V519-I608 HydrophobicContact CB-CD1 3.94Å; V519-I608 HydrophobicContact CG1-CD1 4.28Å; V519-I608 HydrophobicContact CG2-CD1 3.84Å; V519-I900 HydrophobicContact CG2-CD1 3.35Å | ||
| 520 | P | 86.1 | Confident | 86.2 | Confident | 31 Ų | 31 | 61.5 Ų | 61.5 | 20% | 0.201 | 30% | 0.302 | C | S | . | . | trans | -60.8 | 127.2 | 171.8 | -21.1 | 32.5 | 0 | 0 | 0 | 110.8 | Q522 C523 S907 | P520-Q522 HydrophobicContact CB-CG 4.08Å; P520-Q522 PolarHBondContact O-N 3.31Å; P520-Q522 VanDerWaalsContact O-N 3.11Å; P520-C523 WeakPolarHBondContact O-CB 3.36Å; P520-C523 PolarHBondContact O-N 3.02Å; P520-S907 WeakPolarHBondContact CG-OG 2.93Å | ||
| 521 | K | 87.7 | Confident | 86.5 | Confident | 75 Ų | 75 | 58.2 Ų | 58.2 | 33% | 0.326 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -55.6 | -33.8 | -178.6 | -173.4 | -172.8 | 175.4 | -162.9 | 0 | 112.9 | V519 C523 L524 V596 E604 Y606 | V519-K521 PolarHBondContact O-N 2.8Å; K521-C523 PolarHBondContact O-N 2.84Å; K521-L524 WeakPolarHBondContact O-CB 3.38Å; K521-L524 PolarHBondContact O-N 3.27Å; K521-V596 HydrophobicContact CB-CG1 4.08Å; K521-E604 WeakPolarHBondContact CD-OE2 3.5Å; K521-E604 VanDerWaalsContact CE-OE2 3.32Å; K521-E604 WeakPolarHBondContact CE-OE2 3.46Å; K521-E604 IonicContact NZ-OE1 2.9Å; K521-E604 PolarHBondContact NZ-OE1 3.38Å; K521-E604 IonicContact NZ-OE2 3.21Å; K521-E604 PolarHBondContact NZ-OE2 2.61Å; K521-Y606 HydrophobicContact CG-CE2 4.41Å |
| 522 | Q | 85.9 | Confident | 86.5 | Confident | 124 Ų | 124 | 62.3 Ų | 62.3 | 58% | 0.579 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -62.9 | -28.4 | 179.2 | 66.9 | -172.1 | 18.5 | 0 | 0 | 113.7 | P520 L524 T546 | P520-Q522 HydrophobicContact CB-CG 4.08Å; P520-Q522 PolarHBondContact O-N 3.31Å; P520-Q522 VanDerWaalsContact O-N 3.11Å; Q522-L524 PolarHBondContact O-N 3.33Å; Q522-T546 HydrophobicContact CB-CG2 4.44Å; Q522-T546 HydrophobicContact CG-CG2 4.17Å |
| 523 | C | 86.3 | Confident | 86.3 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -78 | -13 | 176.7 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | P520 K521 I543 V544 | P520-C523 WeakPolarHBondContact O-CB 3.36Å; P520-C523 PolarHBondContact O-N 3.02Å; K521-C523 PolarHBondContact O-N 2.84Å; C523-I543 HydrophobicContact CB-CG2 4.27Å; C523-I543 CarbonylContact O-C 3.49Å; C523-I543 WeakPolarHBondContact O-CA 3.34Å; C523-V544 WeakPolarHBondContact CB-O 3.3Å; C523-V544 PolarHBondContact O-N 3.34Å |
| 524 | L | 91.1 | Very high | 85.6 | Confident | 17 Ų | 17 | 64.8 Ų | 64.8 | 9% | 0.089 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 107.8 | -175.6 | -170.1 | 69.4 | 0 | 0 | 0 | 111.4 | K521 Q522 L526 A541 I543 V556 V558 V596 Y606 I608 | K521-L524 WeakPolarHBondContact O-CB 3.38Å; K521-L524 PolarHBondContact O-N 3.27Å; Q522-L524 PolarHBondContact O-N 3.33Å; L524-L526 HydrophobicContact CD2-CD2 4.15Å; L524-L526 HydrophobicContact CG-CD2 4.36Å; L524-A541 HydrophobicContact CD1-CB 3.86Å; L524-A541 HydrophobicContact CG-CB 4.43Å; L524-I543 HydrophobicContact CD1-CG1 4.17Å; L524-V556 HydrophobicContact CD1-CG2 4.31Å; L524-V558 HydrophobicContact CD1-CG2 3.91Å; L524-V558 HydrophobicContact CD2-CG1 4.25Å; L524-V558 HydrophobicContact CD2-CG2 4.18Å; L524-V558 HydrophobicContact CG-CG2 4.48Å; L524-V596 HydrophobicContact CD2-CG2 4.25Å; L524-Y606 HydrophobicContact CD2-CD2 3.65Å; L524-Y606 HydrophobicContact CD2-CE2 4.28Å; L524-Y606 HydrophobicContact CD2-CG 4.34Å; L524-I608 HydrophobicContact CD1-CD1 4.11Å; L524-I608 HydrophobicContact CD2-CD1 4.32Å |
| 525 | Q | 90.8 | Very high | 85.2 | Confident | 96 Ų | 96 | 65 Ų | 65 | 45% | 0.449 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 102.9 | 172.9 | -66.3 | -175.4 | -2.4 | 0 | 0 | 110.4 | A541 A542 V544 | Q525-A541 CarbonylContact O-C 3.47Å; Q525-A541 WeakPolarHBondContact O-CA 3.32Å; Q525-A541 VanDerWaalsContact O-CB 3.27Å; Q525-A541 WeakPolarHBondContact O-CB 3.45Å; Q525-A542 PolarHBondContact N-O 3.1Å; Q525-A542 PolarHBondContact O-N 3.06Å; Q525-V544 HydrophobicContact CG-CG1 4.38Å; Q525-V544 HydrophobicContact CG-CG2 3.93Å |
| 526 | L | 92.7 | Very high | 85.4 | Confident | 73 Ų | 73 | 61.5 Ų | 61.5 | 38% | 0.382 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 133.6 | 173.1 | -61.9 | 177.4 | 0 | 0 | 0 | 110.3 | L524 H539 A541 V558 M560 | L524-L526 HydrophobicContact CD2-CD2 4.15Å; L524-L526 HydrophobicContact CG-CD2 4.36Å; L526-H539 HydrophobicContact CD2-CB 4.39Å; L526-A541 HydrophobicContact CD2-CB 4.09Å; L526-V558 HydrophobicContact CD2-CB 4.07Å; L526-V558 HydrophobicContact CD2-CG1 4.08Å; L526-V558 HydrophobicContact CD2-CG2 4.14Å; L526-M560 HydrophobicContact CD1-CE 3.87Å; L526-M560 HydrophobicContact CD2-CE 3.78Å; L526-M560 HydrophobicContact CG-CE 4.49Å |
| 527 | K | 93.2 | Very high | 85.8 | Confident | 86 Ų | 86 | 58.7 Ų | 58.7 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | -135.1 | 176.7 | -55.2 | -175.9 | 174.6 | 179.7 | 0 | 109.6 | K540 | K527-K540 WeakPolarHBondContact CA-O 3.17Å; K527-K540 HydrophobicContact CB-CB 4.46Å; K527-K540 WeakPolarHBondContact CB-O 3.41Å; K527-K540 PolarHBondContact N-O 2.86Å |
| 528 | E | 91.9 | Very high | 86 | Confident | 91 Ų | 91 | 58.1 Ų | 58.1 | 43% | 0.425 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 148.1 | -178 | 66.2 | -87.7 | -153.2 | 0 | 0 | 113.5 | L530 H539 K540 | E528-L530 HydrophobicContact CG-CD2 4.27Å; E528-L530 PolarHBondContact O-N 3.46Å; E528-H539 CarbonylContact O-C 3.54Å; E528-H539 VanDerWaalsContact O-CA 3.24Å; E528-H539 WeakPolarHBondContact O-CA 3.28Å; E528-H539 WeakPolarHBondContact O-CB 3.32Å; E528-K540 VanDerWaalsContact CD-CD 3.46Å; E528-K540 HydrophobicContact CG-CB 4.18Å; E528-K540 PolarHBondContact O-N 3.45Å; E528-K540 WeakPolarHBondContact OE1-CD 3.28Å; E528-K540 IonicContact OE1-NZ 3.57Å; E528-K540 PolarHBondContact OE1-NZ 3.07Å |
| 529 | C | 92.3 | Very high | 86.2 | Confident | 62 Ų | 62 | 58.3 Ų | 58.3 | 42% | 0.419 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 119.5 | 170.3 | -172 | 0 | 0 | 0 | 0 | 109.3 | V538 | C529-V538 CarbonylContact C-O 3.49Å; C529-V538 PolarHBondContact SG-O 3.04Å; C529-V538 VanDerWaalsContact SG-O 3.37Å |
| 530 | L | 88.4 | Confident | 86.6 | Confident | 85 Ų | 85 | 60.4 Ų | 60.4 | 45% | 0.445 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | -29.8 | 179.1 | -62.8 | 173.5 | 0 | 0 | 0 | 112 | E528 V538 K540 F611 | E528-L530 HydrophobicContact CG-CD2 4.27Å; E528-L530 PolarHBondContact O-N 3.46Å; L530-V538 HydrophobicContact CB-CG1 4.36Å; L530-V538 HydrophobicContact CD1-CG1 4.24Å; L530-V538 PolarHBondContact N-O 2.91Å; L530-K540 HydrophobicContact CD1-CB 3.98Å; L530-K540 HydrophobicContact CD2-CB 4.1Å; L530-K540 HydrophobicContact CG-CB 4.05Å; L530-F611 HydrophobicContact CD1-CD2 4.17Å; L530-F611 HydrophobicContact CD1-CE2 3.72Å; L530-F611 HydrophobicContact CD2-CE2 4.33Å |
| 531 | G | 83.8 | Confident | 87 | Confident | 30 Ų | 30 | 59 Ų | 59 | 31% | 0.309 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.7 | 158 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R537 V538 | G531-R537 CarbonylContact O-C 3.57Å; G531-R537 WeakPolarHBondContact O-CA 3.33Å; G531-V538 PolarHBondContact N-O 3.07Å; G531-V538 PolarHBondContact O-N 2.88Å |
| 532 | V | 80.9 | Confident | 87.2 | Confident | 89 Ų | 89 | 55.4 Ų | 55.4 | 54% | 0.539 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 114.1 | 178 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | R537 | V532-R537 HydrophobicContact CB-CG 4.47Å; V532-R537 HydrophobicContact CG1-CG 4.07Å; V532-R537 HydrophobicContact CG2-CG 4.05Å |
| 533 | G | 72.9 | Confident | 87.4 | Confident | 41 Ų | 41 | 49.5 Ų | 49.5 | 42% | 0.423 | 27% | 0.266 | S | S | . | . | trans | -95.9 | -177.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G536 | G533-G536 CarbonylContact C-O 3.52Å; G533-G536 WeakPolarHBondContact CA-O 3.32Å; G533-G536 PolarHBondContact N-O 2.85Å | ||
| 534 | Q | 68 | Low | 87.3 | Confident | 72 Ų | 72 | 49.9 Ų | 49.9 | 34% | 0.336 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -62.8 | -46.2 | -179.1 | -177.6 | 166.3 | 13.4 | 0 | 0 | 112.2 | R562 D752 | Q534-R562 WeakPolarHBondContact O-CD 3.22Å; Q534-D752 PolarHBondContact NE2-O 2.89Å |
| 535 | F | 71 | Confident | 86.5 | Confident | 43 Ų | 43 | 50.5 Ų | 50.5 | 19% | 0.189 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -100.2 | -15.9 | -175.1 | -54.2 | -69.1 | 0 | 0 | 0 | 113.7 | P561 R562 H569 T753 | F535-P561 WeakPolarHBondContact O-CA 3.3Å; F535-R562 PolarHBondContact O-N 2.88Å; F535-H569 PolarHBondContact O-ND1 3.39Å; F535-T753 HydrophobicContact CE1-CG2 4.4Å; F535-T753 HydrophobicContact CZ-CG2 3.64Å |
| 536 | G | 83.2 | Confident | 85.3 | Confident | 9 Ų | 9 | 49.2 Ų | 49.2 | 9% | 0.093 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 167.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | G533 M560 | G533-G536 CarbonylContact C-O 3.52Å; G533-G536 WeakPolarHBondContact CA-O 3.32Å; G533-G536 PolarHBondContact N-O 2.85Å; G536-M560 CarbonylContact C-O 3.48Å; G536-M560 WeakPolarHBondContact CA-O 3.21Å |
| 537 | R | 88.4 | Confident | 84 | Confident | 113 Ų | 113 | 52.6 Ų | 52.6 | 43% | 0.426 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 145.2 | 167.1 | -60.1 | -179.9 | 179.4 | 169.9 | -0.8 | 107.8 | G531 V532 K559 M560 | G531-R537 CarbonylContact O-C 3.57Å; G531-R537 WeakPolarHBondContact O-CA 3.33Å; V532-R537 HydrophobicContact CB-CG 4.47Å; V532-R537 HydrophobicContact CG1-CG 4.07Å; V532-R537 HydrophobicContact CG2-CG 4.05Å; R537-K559 WeakPolarHBondContact O-CA 2.91Å; R537-M560 HydrophobicContact CB-CG 4.13Å; R537-M560 PolarHBondContact N-O 3.5Å; R537-M560 WeakPolarHBondContact O-CG 3.35Å; R537-M560 PolarHBondContact O-N 3.07Å |
| 538 | V | 92.7 | Very high | 82.4 | Confident | 44 Ų | 44 | 54.1 Ų | 54.1 | 27% | 0.267 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.4 | 174.1 | -173.6 | 0 | 0 | 0 | 0 | 107.7 | C529 L530 G531 A557 V558 K559 | C529-V538 CarbonylContact C-O 3.49Å; C529-V538 PolarHBondContact SG-O 3.04Å; C529-V538 VanDerWaalsContact SG-O 3.37Å; L530-V538 HydrophobicContact CB-CG1 4.36Å; L530-V538 HydrophobicContact CD1-CG1 4.24Å; L530-V538 PolarHBondContact N-O 2.91Å; G531-V538 PolarHBondContact N-O 3.07Å; G531-V538 PolarHBondContact O-N 2.88Å; V538-A557 HydrophobicContact CG1-CB 4.32Å; V538-V558 CarbonylContact C-O 3.49Å; V538-V558 VanDerWaalsContact CA-O 3.3Å; V538-V558 WeakPolarHBondContact CA-O 3.37Å; V538-K559 HydrophobicContact CG2-CB 4.31Å; V538-K559 HydrophobicContact CG2-CG 4.06Å |
| 539 | H | 95 | Very high | 80.7 | Confident | 33 Ų | 33 | 55.3 Ų | 55.3 | 15% | 0.153 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 149.7 | 173.8 | -68.2 | 68.5 | 0 | 0 | 0 | 109.5 | L526 E528 V558 M560 | L526-H539 HydrophobicContact CD2-CB 4.39Å; E528-H539 CarbonylContact O-C 3.54Å; E528-H539 VanDerWaalsContact O-CA 3.24Å; E528-H539 WeakPolarHBondContact O-CA 3.28Å; E528-H539 WeakPolarHBondContact O-CB 3.32Å; H539-V558 PolarHBondContact N-O 3.27Å; H539-V558 PolarHBondContact O-N 3.08Å; H539-M560 HydrophobicContact CB-CE 4.22Å; H539-M560 WeakPolarHBondContact ND1-CE 3.19Å |
| 540 | K | 95.6 | Very high | 78.8 | Confident | 49 Ų | 49 | 60.5 Ų | 60.5 | 21% | 0.213 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 144 | 159.7 | -167.5 | -177.4 | -174.9 | 175.2 | 0 | 107.7 | K527 E528 L530 T555 F611 | K527-K540 WeakPolarHBondContact CA-O 3.17Å; K527-K540 HydrophobicContact CB-CB 4.46Å; K527-K540 WeakPolarHBondContact CB-O 3.41Å; K527-K540 PolarHBondContact N-O 2.86Å; E528-K540 VanDerWaalsContact CD-CD 3.46Å; E528-K540 HydrophobicContact CG-CB 4.18Å; E528-K540 PolarHBondContact O-N 3.45Å; E528-K540 WeakPolarHBondContact OE1-CD 3.28Å; E528-K540 IonicContact OE1-NZ 3.57Å; E528-K540 PolarHBondContact OE1-NZ 3.07Å; L530-K540 HydrophobicContact CD1-CB 3.98Å; L530-K540 HydrophobicContact CD2-CB 4.1Å; L530-K540 HydrophobicContact CG-CB 4.05Å; K540-T555 HydrophobicContact CD-CG2 4.46Å; K540-T555 HydrophobicContact CG-CG2 4.11Å; K540-F611 HydrophobicContact CD-CE2 4.24Å; K540-F611 HydrophobicContact CD-CZ 4.06Å; K540-F611 HydrophobicContact CG-CD2 4.27Å; K540-F611 HydrophobicContact CG-CE2 4.01Å; K540-F611 HydrophobicContact CG-CZ 4.29Å |
| 541 | A | 95.2 | Very high | 77.3 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 166.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L524 Q525 L526 V556 V558 | L524-A541 HydrophobicContact CD1-CB 3.86Å; L524-A541 HydrophobicContact CG-CB 4.43Å; Q525-A541 CarbonylContact O-C 3.47Å; Q525-A541 WeakPolarHBondContact O-CA 3.32Å; Q525-A541 VanDerWaalsContact O-CB 3.27Å; Q525-A541 WeakPolarHBondContact O-CB 3.45Å; L526-A541 HydrophobicContact CD2-CB 4.09Å; A541-V556 HydrophobicContact CB-CG2 3.94Å; A541-V556 PolarHBondContact N-O 3.42Å; A541-V556 PolarHBondContact O-N 3.17Å; A541-V558 HydrophobicContact CB-CB 4.48Å; A541-V558 HydrophobicContact CB-CG2 3.42Å; A541-V558 VanDerWaalsContact CB-CG2 3.42Å |
| 542 | A | 91.8 | Very high | 76.4 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 135.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q525 V544 Q553 L554 | Q525-A542 PolarHBondContact N-O 3.1Å; Q525-A542 PolarHBondContact O-N 3.06Å; A542-V544 HydrophobicContact CB-CG1 4.18Å; A542-Q553 HydrophobicContact CB-CB 4.35Å; A542-L554 WeakPolarHBondContact CA-O 3.47Å |
| 543 | I | 89.8 | Confident | 76.4 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 120.3 | 163.9 | -54.3 | 179.8 | 0 | 0 | 0 | 107 | C523 L524 L554 V556 V593 I608 I900 L904 | C523-I543 HydrophobicContact CB-CG2 4.27Å; C523-I543 CarbonylContact O-C 3.49Å; C523-I543 WeakPolarHBondContact O-CA 3.34Å; L524-I543 HydrophobicContact CD1-CG1 4.17Å; I543-L554 HydrophobicContact CB-CB 4.41Å; I543-L554 HydrophobicContact CD1-CD2 4.46Å; I543-L554 PolarHBondContact N-O 3.48Å; I543-L554 PolarHBondContact O-N 3.17Å; I543-V556 HydrophobicContact CD1-CG1 4.01Å; I543-V556 HydrophobicContact CD1-CG2 4.41Å; I543-V556 HydrophobicContact CG1-CG1 4.21Å; I543-V556 HydrophobicContact CG1-CG2 3.99Å; I543-V593 HydrophobicContact CD1-CG1 4.21Å; I543-I608 HydrophobicContact CD1-CG2 4.34Å; I543-I900 HydrophobicContact CD1-CD1 4.18Å; I543-I900 HydrophobicContact CD1-CG1 4.27Å; I543-L904 HydrophobicContact CG2-CD1 3.96Å |
| 544 | V | 84.5 | Confident | 77.1 | Confident | 14 Ų | 14 | 64.1 Ų | 64.1 | 9% | 0.085 | 35% | 0.351 | C | S | . | . | trans | -120.5 | 148.3 | -177.6 | -57.6 | 0 | 0 | 0 | 0 | 111 | C523 Q525 A542 Q553 | C523-V544 WeakPolarHBondContact CB-O 3.3Å; C523-V544 PolarHBondContact O-N 3.34Å; Q525-V544 HydrophobicContact CG-CG1 4.38Å; Q525-V544 HydrophobicContact CG-CG2 3.93Å; A542-V544 HydrophobicContact CB-CG1 4.18Å; V544-Q553 HydrophobicContact CG1-CB 4.48Å; V544-Q553 HydrophobicContact CG1-CG 3.95Å | ||
| 545 | D | 74.9 | Confident | 78.3 | Confident | 29 Ų | 29 | 62.9 Ų | 62.9 | 16% | 0.155 | 35% | 0.349 | C | S | . | . | trans | -78.4 | 118.9 | 167.3 | -170.7 | -15.4 | 0 | 0 | 0 | 108.3 | D547 K548 T551 L904 | D545-D547 PolarHBondContact O-N 3.01Å; D545-D547 PolarHBondContact OD1-N 3.11Å; D545-K548 HydrophobicContact CB-CB 4.37Å; D545-T551 WeakPolarHBondContact CB-OG1 3.28Å; D545-L904 VanDerWaalsContact CA-CD2 3.42Å; D545-L904 HydrophobicContact CB-CD2 3.68Å | ||
| 546 | T | 65.3 | Low | 79.4 | Confident | 70 Ų | 70 | 60.8 Ų | 60.8 | 43% | 0.429 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -68.3 | -23.4 | 179.6 | 45.4 | 0 | 0 | 0 | 0 | 112.5 | Q522 | Q522-T546 HydrophobicContact CB-CG2 4.44Å; Q522-T546 HydrophobicContact CG-CG2 4.17Å |
| 547 | D | 64.3 | Low | 80 | Confident | 143 Ų | 143 | 60.9 Ų | 60.9 | 77% | 0.765 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -93.2 | -13.9 | -173.2 | -62.2 | -16.1 | 0 | 0 | 0 | 112.2 | D545 | D545-D547 PolarHBondContact O-N 3.01Å; D545-D547 PolarHBondContact OD1-N 3.11Å |
| 548 | K | 60.9 | Low | 80.4 | Confident | 119 Ų | 119 | 55.5 Ų | 55.5 | 52% | 0.517 | 32% | 0.319 | S | S | . | . | trans | -132.2 | 93.1 | -175.4 | -65.5 | -179.6 | -174.5 | 167 | 0 | 112.2 | D545 N550 T551 | D545-K548 HydrophobicContact CB-CB 4.37Å; K548-N550 PolarHBondContact O-N 3.01Å; K548-T551 HydrophobicContact CB-CG2 3.84Å; K548-T551 HydrophobicContact CD-CG2 3.87Å; K548-T551 PolarHBondContact O-N 2.75Å; K548-T551 PolarHBondContact O-OG1 2.82Å | ||
| 549 | A | 54.8 | Low | 80.5 | Confident | 115 Ų | 115 | 55.2 Ų | 55.2 | 95% | 0.95 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -14 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 550 | N | 53.2 | Low | 80.4 | Confident | 172 Ų | 172 | 54.6 Ų | 54.6 | 92% | 0.92 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | 20.1 | -173.7 | -120.2 | 17 | 0 | 0 | 0 | 114.9 | K548 | K548-N550 PolarHBondContact O-N 3.01Š|
| 551 | T | 58.1 | Low | 80.1 | Confident | 58 Ų | 58 | 52.7 Ų | 52.7 | 36% | 0.356 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -93.3 | 156.9 | 179 | 39.1 | 0 | 0 | 0 | 0 | 113.8 | D545 K548 Q553 | D545-T551 WeakPolarHBondContact CB-OG1 3.28Å; K548-T551 HydrophobicContact CB-CG2 3.84Å; K548-T551 HydrophobicContact CD-CG2 3.87Å; K548-T551 PolarHBondContact O-N 2.75Å; K548-T551 PolarHBondContact O-OG1 2.82Å; T551-Q553 PolarHBondContact O-N 3.47Å |
| 552 | S | 64.3 | Low | 79.6 | Confident | 116 Ų | 116 | 58.5 Ų | 58.5 | 81% | 0.811 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 121.2 | 176.9 | 44 | 0 | 0 | 0 | 0 | 111.7 | ||
| 553 | Q | 79.8 | Confident | 79.2 | Confident | 110 Ų | 110 | 62.3 Ų | 62.3 | 51% | 0.514 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 130.7 | 177.8 | -56.2 | -173.5 | -13.8 | 0 | 0 | 110.6 | A542 V544 T551 | A542-Q553 HydrophobicContact CB-CB 4.35Å; V544-Q553 HydrophobicContact CG1-CB 4.48Å; V544-Q553 HydrophobicContact CG1-CG 3.95Å; T551-Q553 PolarHBondContact O-N 3.47Å |
| 554 | L | 88.7 | Confident | 78.9 | Confident | 36 Ų | 36 | 63.4 Ų | 63.4 | 19% | 0.188 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 115.8 | 173 | -178.2 | 63.1 | 0 | 0 | 0 | 109.7 | A542 I543 V556 V593 | A542-L554 WeakPolarHBondContact CA-O 3.47Å; I543-L554 HydrophobicContact CB-CB 4.41Å; I543-L554 HydrophobicContact CD1-CD2 4.46Å; I543-L554 PolarHBondContact N-O 3.48Å; I543-L554 PolarHBondContact O-N 3.17Å; L554-V556 HydrophobicContact CD2-CG1 4.17Å; L554-V556 HydrophobicContact CG-CG1 3.94Å; L554-V593 HydrophobicContact CD2-CG1 3.99Å |
| 555 | T | 92.8 | Very high | 78.9 | Confident | 46 Ų | 46 | 67.7 Ų | 67.7 | 28% | 0.282 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 126.5 | 176.8 | -60 | 0 | 0 | 0 | 0 | 110.2 | K540 F611 | K540-T555 HydrophobicContact CD-CG2 4.46Å; K540-T555 HydrophobicContact CG-CG2 4.11Å; T555-F611 HydrophobicContact CG2-CB 4.02Å; T555-F611 HydrophobicContact CG2-CD1 3.57Å; T555-F611 HydrophobicContact CG2-CE1 4.17Å; T555-F611 HydrophobicContact CG2-CG 3.81Å |
| 556 | V | 95 | Very high | 79.4 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 161.2 | -174.7 | -62.7 | 0 | 0 | 0 | 0 | 111.2 | L524 A541 I543 L554 V558 V593 I608 T609 | L524-V556 HydrophobicContact CD1-CG2 4.31Å; A541-V556 HydrophobicContact CB-CG2 3.94Å; A541-V556 PolarHBondContact N-O 3.42Å; A541-V556 PolarHBondContact O-N 3.17Å; I543-V556 HydrophobicContact CD1-CG1 4.01Å; I543-V556 HydrophobicContact CD1-CG2 4.41Å; I543-V556 HydrophobicContact CG1-CG1 4.21Å; I543-V556 HydrophobicContact CG1-CG2 3.99Å; L554-V556 HydrophobicContact CD2-CG1 4.17Å; L554-V556 HydrophobicContact CG-CG1 3.94Å; V556-V558 HydrophobicContact CG2-CG2 4.15Å; V556-V593 HydrophobicContact CG1-CG1 4.1Å; V556-I608 HydrophobicContact CB-CG2 3.56Å; V556-I608 HydrophobicContact CG1-CG2 3.93Å; V556-I608 HydrophobicContact CG2-CG2 3.51Å; V556-T609 WeakPolarHBondContact CB-O 3.19Å |
| 557 | A | 95.4 | Very high | 80.3 | Confident | 11 Ų | 11 | 66.6 Ų | 66.6 | 9% | 0.091 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 136.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | V538 I608 T609 F611 | V538-A557 HydrophobicContact CG1-CB 4.32Å; A557-I608 CarbonylContact O-C 3.16Å; A557-I608 WeakPolarHBondContact O-CA 3.44Å; A557-T609 PolarHBondContact N-O 2.98Å; A557-T609 PolarHBondContact O-N 3.36Å; A557-F611 HydrophobicContact CB-CD2 4.35Å |
| 558 | V | 96.1 | Very high | 81.2 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 111.5 | -176.3 | -176 | 0 | 0 | 0 | 0 | 109.9 | L524 L526 V538 H539 A541 V556 M560 Y606 L607 I608 | L524-V558 HydrophobicContact CD1-CG2 3.91Å; L524-V558 HydrophobicContact CD2-CG1 4.25Å; L524-V558 HydrophobicContact CD2-CG2 4.18Å; L524-V558 HydrophobicContact CG-CG2 4.48Å; L526-V558 HydrophobicContact CD2-CB 4.07Å; L526-V558 HydrophobicContact CD2-CG1 4.08Å; L526-V558 HydrophobicContact CD2-CG2 4.14Å; V538-V558 CarbonylContact C-O 3.49Å; V538-V558 VanDerWaalsContact CA-O 3.3Å; V538-V558 WeakPolarHBondContact CA-O 3.37Å; H539-V558 PolarHBondContact N-O 3.27Å; H539-V558 PolarHBondContact O-N 3.08Å; A541-V558 HydrophobicContact CB-CB 4.48Å; A541-V558 HydrophobicContact CB-CG2 3.42Å; A541-V558 VanDerWaalsContact CB-CG2 3.42Å; V556-V558 HydrophobicContact CG2-CG2 4.15Å; V558-M560 HydrophobicContact CB-CE 4.41Å; V558-M560 HydrophobicContact CG1-CE 3.9Å; V558-Y606 HydrophobicContact CG1-CD1 4.31Å; V558-Y606 HydrophobicContact CG1-CG 4.03Å; V558-L607 CarbonylContact C-O 3.49Å; V558-L607 WeakPolarHBondContact CA-O 3.29Å; V558-I608 HydrophobicContact CG2-CG1 4.3Å; V558-I608 HydrophobicContact CG2-CG2 4.38Å |
| 559 | K | 94.8 | Very high | 82.4 | Confident | 37 Ų | 37 | 60.2 Ų | 60.2 | 16% | 0.161 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 132.1 | 171.6 | -164.8 | 177.1 | -164.3 | -178 | 0 | 109.4 | R537 V538 L573 E576 L607 D736 | R537-K559 WeakPolarHBondContact O-CA 2.91Å; V538-K559 HydrophobicContact CG2-CB 4.31Å; V538-K559 HydrophobicContact CG2-CG 4.06Å; K559-L573 HydrophobicContact CB-CD1 4.07Å; K559-L573 HydrophobicContact CD-CD1 3.81Å; K559-L573 HydrophobicContact CG-CD1 3.76Å; K559-E576 WeakPolarHBondContact CE-OE2 3.37Å; K559-E576 IonicContact NZ-OE1 3.67Å; K559-E576 PolarHBondContact NZ-OE1 2.74Å; K559-E576 IonicContact NZ-OE2 3.76Å; K559-E576 PolarHBondContact NZ-OE2 2.78Å; K559-L607 HydrophobicContact CB-CB 4.38Å; K559-L607 PolarHBondContact N-O 2.78Å; K559-L607 PolarHBondContact O-N 3.43Å; K559-D736 IonicContact NZ-OD1 2.62Å; K559-D736 PolarHBondContact NZ-OD1 3.34Å |
| 560 | M | 93.7 | Very high | 84 | Confident | 20 Ų | 20 | 54.8 Ų | 54.8 | 10% | 0.099 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 155.4 | -177.2 | 65.6 | -171.2 | 67.8 | 0 | 0 | 110.9 | L526 G536 R537 H539 V558 Y606 | L526-M560 HydrophobicContact CD1-CE 3.87Å; L526-M560 HydrophobicContact CD2-CE 3.78Å; L526-M560 HydrophobicContact CG-CE 4.49Å; G536-M560 CarbonylContact C-O 3.48Å; G536-M560 WeakPolarHBondContact CA-O 3.21Å; R537-M560 HydrophobicContact CB-CG 4.13Å; R537-M560 PolarHBondContact N-O 3.5Å; R537-M560 WeakPolarHBondContact O-CG 3.35Å; R537-M560 PolarHBondContact O-N 3.07Å; H539-M560 HydrophobicContact CB-CE 4.22Å; H539-M560 WeakPolarHBondContact ND1-CE 3.19Å; V558-M560 HydrophobicContact CB-CE 4.41Å; V558-M560 HydrophobicContact CG1-CE 3.9Å; M560-Y606 HydrophobicContact CB-CD1 3.53Å; M560-Y606 HydrophobicContact CB-CE1 3.79Å; M560-Y606 HydrophobicContact CE-CD1 4.27Å; M560-Y606 HydrophobicContact CE-CE1 4.17Å; M560-Y606 HydrophobicContact SD-CE1 4.14Å |
| 561 | P | 89.9 | Confident | 85.5 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 140 | 179.9 | -20.1 | 30.5 | 0 | 0 | 0 | 111.9 | F535 V563 H569 Q570 L573 L605 | F535-P561 WeakPolarHBondContact O-CA 3.3Å; P561-V563 PolarHBondContact O-N 3.24Å; P561-H569 HydrophobicContact CB-CB 3.87Å; P561-Q570 HydrophobicContact CB-CG 4.46Å; P561-Q570 HydrophobicContact CG-CG 3.86Å; P561-L573 HydrophobicContact CG-CD2 3.99Å; P561-L605 WeakPolarHBondContact CD-O 3.47Å; P561-L605 HydrophobicContact CG-CB 4.33Å |
| 562 | R | 83.6 | Confident | 86.8 | Confident | 123 Ų | 123 | 47 Ų | 47 | 46% | 0.464 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -60.6 | -36.8 | -179.9 | -179.7 | 178.7 | -179.9 | -173 | 3.4 | 112.2 | Q534 F535 | Q534-R562 WeakPolarHBondContact O-CD 3.22Å; F535-R562 PolarHBondContact O-N 2.88Å |
| 563 | V | 84.1 | Confident | 88 | Confident | 79 Ų | 79 | 42 Ų | 42 | 48% | 0.479 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -121.6 | 104 | 168.9 | 177 | 0 | 0 | 0 | 0 | 105 | P561 K565 N566 | P561-V563 PolarHBondContact O-N 3.24Å; V563-K565 PolarHBondContact O-N 3.47Å; V563-N566 HydrophobicContact CB-CB 3.88Å; V563-N566 HydrophobicContact CG1-CB 4.04Å; V563-N566 WeakPolarHBondContact O-CB 3.48Å; V563-N566 PolarHBondContact O-N 2.78Å |
| 564 | G | 82.5 | Confident | 88.4 | Confident | 25 Ų | 25 | 37.2 Ų | 37.2 | 26% | 0.258 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | -41.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N566 Q570 G603 | G564-N566 PolarHBondContact O-N 3.04Å; G564-Q570 PolarHBondContact O-NE2 3.45Å; G564-G603 VanDerWaalsContact C-CA 3.44Å; G564-G603 VanDerWaalsContact CA-O 3.23Å; G564-G603 WeakPolarHBondContact CA-O 3.46Å; G564-G603 WeakPolarHBondContact O-CA 2.88Å |
| 565 | K | 83.8 | Confident | 88.4 | Confident | 103 Ų | 103 | 36.8 Ų | 36.8 | 45% | 0.448 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -6.3 | -177.8 | -66.2 | -175.2 | 178.9 | -173.7 | 0 | 115.5 | R477 V563 | R477-K565 VanDerWaalsContact CD-O 3.25Å; R477-K565 WeakPolarHBondContact CD-O 3.32Å; R477-K565 PolarHBondContact NH1-O 2.74Å; V563-K565 PolarHBondContact O-N 3.47Å |
| 566 | N | 85.4 | Confident | 88.2 | Confident | 52 Ų | 52 | 35.1 Ų | 35.1 | 28% | 0.278 | 19% | 0.19 | S | C | . | . | trans | -76.8 | 123.2 | -178.1 | -178.4 | -49.1 | 0 | 0 | 0 | 110.7 | V563 G564 D568 H569 Q570 | V563-N566 HydrophobicContact CB-CB 3.88Å; V563-N566 HydrophobicContact CG1-CB 4.04Å; V563-N566 WeakPolarHBondContact O-CB 3.48Å; V563-N566 PolarHBondContact O-N 2.78Å; G564-N566 PolarHBondContact O-N 3.04Å; N566-D568 PolarHBondContact OD1-N 3.2Å; N566-H569 HydrophobicContact CB-CB 4.12Å; N566-H569 PolarHBondContact O-N 2.61Å; N566-H569 PolarHBondContact OD1-CD2 3.46Å; N566-H569 PolarHBondContact OD1-N 3.23Å; N566-H569 VanDerWaalsContact OD1-N 3.14Å; N566-Q570 WeakPolarHBondContact O-CG 3.22Å; N566-Q570 PolarHBondContact O-N 2.73Å; N566-Q570 VanDerWaalsContact O-N 3.09Å | ||
| 567 | V | 85.6 | Confident | 88 | Confident | 24 Ų | 24 | 35.2 Ų | 35.2 | 15% | 0.145 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66 | -40.8 | -174.7 | -179.3 | 0 | 0 | 0 | 0 | 112.2 | R477 Q480 L481 M484 H569 Q570 S571 | R477-V567 HydrophobicContact CG-CG2 3.83Å; Q480-V567 HydrophobicContact CB-CG1 4.1Å; Q480-V567 HydrophobicContact CB-CG2 4.22Å; L481-V567 HydrophobicContact CD2-CB 4.36Å; L481-V567 HydrophobicContact CD2-CG1 4.32Å; L481-V567 HydrophobicContact CD2-CG2 3.93Å; L481-V567 HydrophobicContact CG-CG2 4.14Å; M484-V567 HydrophobicContact CE-CG1 3.84Å; V567-H569 VanDerWaalsContact C-N 3.34Å; V567-H569 PolarHBondContact O-N 2.79Å; V567-Q570 PolarHBondContact O-N 2.86Å; V567-S571 WeakPolarHBondContact O-CB 3.33Å; V567-S571 PolarHBondContact O-N 2.88Å |
| 568 | D | 83.3 | Confident | 87.7 | Confident | 101 Ų | 101 | 35.5 Ų | 35.5 | 54% | 0.54 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -67.8 | -37.3 | -179.4 | -57.4 | -38.6 | 0 | 0 | 0 | 111.2 | N566 S571 A572 | N566-D568 PolarHBondContact OD1-N 3.2Å; D568-S571 PolarHBondContact O-N 2.88Å; D568-A572 WeakPolarHBondContact O-CB 3.02Å; D568-A572 PolarHBondContact O-N 2.01Å |
| 569 | H | 85.8 | Confident | 87.4 | Confident | 28 Ų | 28 | 35.5 Ų | 35.5 | 13% | 0.13 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.1 | -40.2 | 176.5 | -65.2 | -161.3 | 0 | 0 | 0 | 111.3 | F535 P561 N566 V567 L573 | F535-H569 PolarHBondContact O-ND1 3.39Å; P561-H569 HydrophobicContact CB-CB 3.87Å; N566-H569 HydrophobicContact CB-CB 4.12Å; N566-H569 PolarHBondContact O-N 2.61Å; N566-H569 PolarHBondContact OD1-CD2 3.46Å; N566-H569 PolarHBondContact OD1-N 3.23Å; N566-H569 VanDerWaalsContact OD1-N 3.14Å; V567-H569 VanDerWaalsContact C-N 3.34Å; V567-H569 PolarHBondContact O-N 2.79Å; H569-L573 PolarHBondContact O-N 2.75Å |
| 570 | Q | 88.4 | Confident | 87.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.5 | -42.9 | 174.1 | -73 | -164.8 | 30.4 | 0 | 0 | 112.1 | L481 M484 P561 G564 N566 V567 A572 L573 L574 M600 L605 | L481-Q570 HydrophobicContact CD2-CB 4.28Å; L481-Q570 HydrophobicContact CD2-CG 4.36Å; M484-Q570 HydrophobicContact SD-CB 4.3Å; P561-Q570 HydrophobicContact CB-CG 4.46Å; P561-Q570 HydrophobicContact CG-CG 3.86Å; G564-Q570 PolarHBondContact O-NE2 3.45Å; N566-Q570 WeakPolarHBondContact O-CG 3.22Å; N566-Q570 PolarHBondContact O-N 2.73Å; N566-Q570 VanDerWaalsContact O-N 3.09Å; V567-Q570 PolarHBondContact O-N 2.86Å; Q570-A572 VanDerWaalsContact C-N 3.31Å; Q570-A572 PolarHBondContact O-N 2.73Å; Q570-L573 PolarHBondContact O-N 3.01Å; Q570-L574 VanDerWaalsContact O-CB 3.29Å; Q570-L574 WeakPolarHBondContact O-CB 3.39Å; Q570-L574 PolarHBondContact O-N 3.22Å; Q570-M600 PolarHBondContact NE2-O 2.9Å; Q570-M600 PolarHBondContact OE1-O 3.08Å; Q570-L605 HydrophobicContact CB-CD2 4.07Å; Q570-L605 HydrophobicContact CG-CD2 4.27Å |
| 571 | S | 85.2 | Confident | 87.1 | Confident | 53 Ų | 53 | 34.2 Ų | 34.2 | 37% | 0.371 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61 | -40.2 | 178.8 | -166.2 | 0 | 0 | 0 | 0 | 112.2 | V567 D568 L574 S575 | V567-S571 WeakPolarHBondContact O-CB 3.33Å; V567-S571 PolarHBondContact O-N 2.88Å; D568-S571 PolarHBondContact O-N 2.88Å; S571-L574 PolarHBondContact O-N 3.21Å; S571-S575 PolarHBondContact O-N 2.98Å; S571-S575 PolarHBondContact O-OG 3.06Å |
| 572 | A | 84.1 | Confident | 87 | Confident | 14 Ų | 14 | 37.5 Ų | 37.5 | 12% | 0.116 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.6 | -49.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D568 Q570 L574 S575 E576 | D568-A572 WeakPolarHBondContact O-CB 3.02Å; D568-A572 PolarHBondContact O-N 2.01Å; Q570-A572 VanDerWaalsContact C-N 3.31Å; Q570-A572 PolarHBondContact O-N 2.73Å; A572-L574 VanDerWaalsContact C-N 3.28Å; A572-L574 PolarHBondContact O-N 3.16Å; A572-S575 PolarHBondContact O-N 3.12Å; A572-E576 PolarHBondContact O-N 2.75Å |
| 573 | L | 89.8 | Confident | 87.3 | Confident | 10 Ų | 10 | 32.1 Ų | 32.1 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.3 | -35 | 178.6 | -172.3 | 62.1 | 0 | 0 | 0 | 112.3 | K559 P561 H569 Q570 E576 L577 L605 L607 | K559-L573 HydrophobicContact CB-CD1 4.07Å; K559-L573 HydrophobicContact CD-CD1 3.81Å; K559-L573 HydrophobicContact CG-CD1 3.76Å; P561-L573 HydrophobicContact CG-CD2 3.99Å; H569-L573 PolarHBondContact O-N 2.75Å; Q570-L573 PolarHBondContact O-N 3.01Å; L573-E576 PolarHBondContact O-N 2.85Å; L573-L577 PolarHBondContact O-N 3.14Å; L573-L605 HydrophobicContact CB-CD2 4.14Å; L573-L605 HydrophobicContact CD2-CD2 4.05Å; L573-L605 HydrophobicContact CD2-CG 3.93Å; L573-L605 HydrophobicContact CG-CD2 4.27Å; L573-L605 HydrophobicContact CG-CG 4.47Å; L573-L607 HydrophobicContact CD1-CB 3.78Å; L573-L607 HydrophobicContact CD1-CD1 3.88Å; L573-L607 HydrophobicContact CD1-CG 4.48Å; L573-L607 HydrophobicContact CG-CB 4.24Å |
| 574 | L | 89.2 | Confident | 87.5 | Confident | 11 Ų | 11 | 29.8 Ų | 29.8 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.3 | -36.6 | 177.7 | -169 | 60.6 | 0 | 0 | 0 | 112.6 | M484 L488 Q570 S571 A572 E576 L577 K578 L605 | M484-L574 HydrophobicContact CG-CD2 3.44Å; M484-L574 VanDerWaalsContact CG-CD2 3.44Å; M484-L574 HydrophobicContact SD-CD2 3.74Å; L488-L574 HydrophobicContact CD1-CD1 3.56Å; L488-L574 HydrophobicContact CD1-CD2 4.22Å; L488-L574 HydrophobicContact CD1-CG 4.12Å; L488-L574 HydrophobicContact CD2-CD1 3.7Å; L488-L574 HydrophobicContact CG-CD1 4.21Å; Q570-L574 VanDerWaalsContact O-CB 3.29Å; Q570-L574 WeakPolarHBondContact O-CB 3.39Å; Q570-L574 PolarHBondContact O-N 3.22Å; S571-L574 PolarHBondContact O-N 3.21Å; A572-L574 VanDerWaalsContact C-N 3.28Å; A572-L574 PolarHBondContact O-N 3.16Å; L574-E576 VanDerWaalsContact C-N 3.34Å; L574-L577 HydrophobicContact CD1-CD2 4.07Å; L574-L577 PolarHBondContact O-N 3.3Å; L574-K578 WeakPolarHBondContact O-CG 3.4Å; L574-K578 PolarHBondContact O-N 3.36Å; L574-L605 HydrophobicContact CB-CD2 4.49Å |
| 575 | S | 86.9 | Confident | 88 | Confident | 27 Ų | 27 | 32 Ų | 32 | 19% | 0.189 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 175.5 | -57.3 | 0 | 0 | 0 | 0 | 110.8 | S571 A572 K578 I579 | S571-S575 PolarHBondContact O-N 2.98Å; S571-S575 PolarHBondContact O-OG 3.06Å; A572-S575 PolarHBondContact O-N 3.12Å; S575-K578 PolarHBondContact O-N 3.33Å; S575-I579 WeakPolarHBondContact O-CG1 3.4Å; S575-I579 PolarHBondContact O-N 2.92Å |
| 576 | E | 89.9 | Confident | 88.5 | Confident | 10 Ų | 10 | 28.4 Ų | 28.4 | 5% | 0.047 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.8 | -46.5 | 174.3 | -172.3 | 175.4 | 174.8 | 0 | 0 | 111.7 | K559 A572 L573 L574 K578 I579 M580 L607 F737 | K559-E576 WeakPolarHBondContact CE-OE2 3.37Å; K559-E576 IonicContact NZ-OE1 3.67Å; K559-E576 PolarHBondContact NZ-OE1 2.74Å; K559-E576 IonicContact NZ-OE2 3.76Å; K559-E576 PolarHBondContact NZ-OE2 2.78Å; A572-E576 PolarHBondContact O-N 2.75Å; L573-E576 PolarHBondContact O-N 2.85Å; L574-E576 VanDerWaalsContact C-N 3.34Å; E576-K578 VanDerWaalsContact C-N 3.33Å; E576-K578 PolarHBondContact O-N 2.83Å; E576-I579 PolarHBondContact O-N 2.84Å; E576-M580 HydrophobicContact CG-SD 4.26Å; E576-M580 WeakPolarHBondContact O-CG 3.37Å; E576-M580 PolarHBondContact O-N 3.3Å; E576-L607 HydrophobicContact CB-CD1 4.08Å; E576-L607 HydrophobicContact CG-CD1 3.82Å; E576-F737 HydrophobicContact CG-CB 4.42Å; E576-F737 HydrophobicContact CG-CD2 4.42Å |
| 577 | L | 91.4 | Very high | 89 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -54.3 | -49 | 175.6 | 175.6 | 58.8 | 0 | 0 | 0 | 111.7 | Y513 L573 L574 I579 M580 V581 L592 A595 T597 L607 | Y513-L577 HydrophobicContact CD2-CD2 3.95Å; Y513-L577 HydrophobicContact CD2-CG 4.13Å; Y513-L577 HydrophobicContact CE2-CD1 4.13Å; Y513-L577 HydrophobicContact CE2-CD2 3.72Å; Y513-L577 HydrophobicContact CE2-CG 4.09Å; L573-L577 PolarHBondContact O-N 3.14Å; L574-L577 HydrophobicContact CD1-CD2 4.07Å; L574-L577 PolarHBondContact O-N 3.3Å; L577-I579 PolarHBondContact O-N 2.9Å; L577-M580 PolarHBondContact O-N 3.23Å; L577-V581 HydrophobicContact CD1-CG2 4.38Å; L577-V581 WeakPolarHBondContact O-CG2 3.19Å; L577-V581 PolarHBondContact O-N 2.76Å; L577-L592 HydrophobicContact CD1-CD1 3.71Å; L577-L592 HydrophobicContact CD1-CD2 3.75Å; L577-L592 HydrophobicContact CD1-CG 4.41Å; L577-A595 HydrophobicContact CD1-CB 3.67Å; L577-A595 HydrophobicContact CD2-CB 3.78Å; L577-A595 HydrophobicContact CG-CB 4.4Å; L577-T597 HydrophobicContact CD2-CG2 3.83Å; L577-L607 HydrophobicContact CB-CD1 4.07Å; L577-L607 HydrophobicContact CD1-CG 4.38Å |
| 578 | K | 89 | Confident | 89.6 | Confident | 18 Ų | 18 | 25.6 Ų | 25.6 | 8% | 0.078 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 179.6 | -73.7 | 179.5 | 172.4 | -145 | 0 | 113 | L488 T508 E509 L511 L574 S575 E576 V581 Y582 | L488-K578 HydrophobicContact CD1-CG 4.34Å; T508-K578 VanDerWaalsContact O-CD 3.31Å; T508-K578 WeakPolarHBondContact O-CD 3.39Å; E509-K578 PolarHBondContact O-NZ 3.2Å; L511-K578 HydrophobicContact CB-CB 3.91Å; L511-K578 HydrophobicContact CB-CD 4.31Å; L511-K578 HydrophobicContact CB-CG 4.47Å; L511-K578 HydrophobicContact CD1-CB 4.27Å; L511-K578 WeakPolarHBondContact O-CD 3.42Å; L511-K578 WeakPolarHBondContact O-CE 3.34Å; L511-K578 PolarHBondContact O-NZ 2.94Å; L574-K578 WeakPolarHBondContact O-CG 3.4Å; L574-K578 PolarHBondContact O-N 3.36Å; S575-K578 PolarHBondContact O-N 3.33Å; E576-K578 VanDerWaalsContact C-N 3.33Å; E576-K578 PolarHBondContact O-N 2.83Å; K578-V581 PolarHBondContact O-N 3.07Å; K578-Y582 PolarHBondContact O-N 3.15Å; K578-Y582 VanDerWaalsContact O-N 3.11Å |
| 579 | I | 90 | Very high | 90.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.3 | -46.6 | 175.2 | -71.1 | 168 | 0 | 0 | 0 | 109.8 | T508 L511 S575 E576 L577 V581 Y582 L583 L714 F737 T740 | T508-I579 HydrophobicContact CG2-CD1 3.8Å; T508-I579 HydrophobicContact CG2-CG1 3.87Å; L511-I579 HydrophobicContact CD1-CG1 4.24Å; S575-I579 WeakPolarHBondContact O-CG1 3.4Å; S575-I579 PolarHBondContact O-N 2.92Å; E576-I579 PolarHBondContact O-N 2.84Å; L577-I579 PolarHBondContact O-N 2.9Å; I579-V581 PolarHBondContact O-N 2.97Å; I579-Y582 PolarHBondContact O-N 2.82Å; I579-Y582 VanDerWaalsContact O-N 3.12Å; I579-L583 HydrophobicContact CG2-CD1 3.83Å; I579-L583 HydrophobicContact CG2-CG 4.09Å; I579-L583 WeakPolarHBondContact O-CG 3.33Å; I579-L583 PolarHBondContact O-N 2.78Å; I579-L714 HydrophobicContact CD1-CD1 4.24Å; I579-L714 HydrophobicContact CG2-CD1 4.09Å; I579-L714 HydrophobicContact CG2-CD2 3.89Å; I579-F737 HydrophobicContact CD1-CB 4.48Å; I579-F737 HydrophobicContact CG2-CB 4.48Å; I579-F737 HydrophobicContact CG2-CD2 4.29Å; I579-F737 HydrophobicContact CG2-CG 4.27Å; I579-T740 WeakPolarHBondContact CD1-OG1 3.23Å |
| 580 | M | 91 | Very high | 90.7 | Very high | 5 Ų | 5 | 20.3 Ų | 20.3 | 3% | 0.025 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.8 | -36.7 | -178.1 | -65 | -177.3 | 70.7 | 0 | 0 | 112.9 | E576 L577 Y582 G584 L590 L592 L607 T609 F737 | E576-M580 HydrophobicContact CG-SD 4.26Å; E576-M580 WeakPolarHBondContact O-CG 3.37Å; E576-M580 PolarHBondContact O-N 3.3Å; L577-M580 PolarHBondContact O-N 3.23Å; M580-Y582 VanDerWaalsContact C-N 3.34Å; M580-G584 PolarHBondContact O-N 2.81Å; M580-L590 HydrophobicContact CE-CG 4.45Å; M580-L590 VanDerWaalsContact CE-O 3.29Å; M580-L590 WeakPolarHBondContact CE-O 3.43Å; M580-L592 HydrophobicContact CB-CB 4.04Å; M580-L592 HydrophobicContact CE-CB 4.16Å; M580-L607 HydrophobicContact CE-CD2 4.48Å; M580-L607 HydrophobicContact SD-CD1 3.98Å; M580-L607 HydrophobicContact SD-CD2 3.85Å; M580-L607 HydrophobicContact SD-CG 4.39Å; M580-T609 HydrophobicContact CE-CG2 3.58Å; M580-T609 HydrophobicContact SD-CG2 4.28Å; M580-F737 HydrophobicContact CG-CD2 3.89Å; M580-F737 HydrophobicContact CG-CE2 3.82Å; M580-F737 HydrophobicContact SD-CD2 4.49Å; M580-F737 HydrophobicContact SD-CE2 4.43Å |
| 581 | V | 89.3 | Confident | 90.9 | Very high | 24 Ų | 24 | 20.6 Ų | 20.6 | 15% | 0.145 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 170.9 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | Y513 D514 Y517 L577 K578 I579 L592 | Y513-V581 HydrophobicContact CD2-CG2 4.19Å; D514-V581 HydrophobicContact CB-CG1 4.28Å; Y517-V581 HydrophobicContact CD2-CG1 4.44Å; Y517-V581 HydrophobicContact CD2-CG2 3.96Å; Y517-V581 HydrophobicContact CE2-CG1 4.09Å; Y517-V581 HydrophobicContact CE2-CG2 4.11Å; L577-V581 HydrophobicContact CD1-CG2 4.38Å; L577-V581 WeakPolarHBondContact O-CG2 3.19Å; L577-V581 PolarHBondContact O-N 2.76Å; K578-V581 PolarHBondContact O-N 3.07Å; I579-V581 PolarHBondContact O-N 2.97Å; V581-L592 HydrophobicContact CB-CD2 4.5Å; V581-L592 HydrophobicContact CG2-CD2 3.42Å; V581-L592 VanDerWaalsContact CG2-CD2 3.42Å |
| 582 | Y | 87.9 | Confident | 91.3 | Very high | 78 Ų | 78 | 18.8 Ų | 18.8 | 31% | 0.306 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -68.6 | -39.9 | -179 | 177 | -92.7 | 0 | 0 | 0 | 113.4 | L496 V498 L504 L511 K578 I579 M580 G584 K712 | L496-Y582 HydrophobicContact CD2-CD2 4.19Å; L496-Y582 HydrophobicContact CD2-CE2 4.25Å; V498-Y582 HydrophobicContact CG2-CD2 4.45Å; V498-Y582 HydrophobicContact CG2-CE2 3.72Å; L504-Y582 HydrophobicContact CD1-CD1 3.95Å; L504-Y582 HydrophobicContact CD1-CE1 3.9Å; L504-Y582 HydrophobicContact CD1-CG 4.4Å; L504-Y582 HydrophobicContact CD2-CD1 3.37Å; L504-Y582 HydrophobicContact CD2-CE1 3.61Å; L504-Y582 HydrophobicContact CD2-CG 4.34Å; L504-Y582 HydrophobicContact CG-CD1 4.33Å; L504-Y582 HydrophobicContact CG-CE1 4.43Å; L511-Y582 HydrophobicContact CD2-CD2 3.76Å; L511-Y582 HydrophobicContact CD2-CE2 4.39Å; L511-Y582 HydrophobicContact CD2-CG 4.01Å; K578-Y582 PolarHBondContact O-N 3.15Å; K578-Y582 VanDerWaalsContact O-N 3.11Å; I579-Y582 PolarHBondContact O-N 2.82Å; I579-Y582 VanDerWaalsContact O-N 3.12Å; M580-Y582 VanDerWaalsContact C-N 3.34Å; Y582-G584 VanDerWaalsContact C-N 3.31Å; Y582-G584 PolarHBondContact O-N 3.28Å; Y582-K712 HydrophobicContact CE1-CD 4.4Å |
| 583 | L | 90.2 | Very high | 91.7 | Very high | 10 Ų | 10 | 18.4 Ų | 18.4 | 5% | 0.052 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.6 | -38.1 | -179.7 | -72 | 178 | 0 | 0 | 0 | 111.8 | I579 V589 F708 L709 K712 L714 F737 | I579-L583 HydrophobicContact CG2-CD1 3.83Å; I579-L583 HydrophobicContact CG2-CG 4.09Å; I579-L583 WeakPolarHBondContact O-CG 3.33Å; I579-L583 PolarHBondContact O-N 2.78Å; L583-V589 HydrophobicContact CD1-CG1 4.3Å; L583-F708 HydrophobicContact CB-CE1 4.42Å; L583-F708 HydrophobicContact CD2-CE1 4.21Å; L583-F708 WeakPolarHBondContact O-CZ 3.25Å; L583-L709 HydrophobicContact CD1-CD2 3.73Å; L583-L709 HydrophobicContact CD2-CD2 3.94Å; L583-L709 HydrophobicContact CG-CD2 4.49Å; L583-K712 HydrophobicContact CD2-CB 4Å; L583-K712 HydrophobicContact CD2-CG 3.91Å; L583-L714 HydrophobicContact CD1-CD2 3.92Å; L583-L714 HydrophobicContact CD2-CD2 4.19Å; L583-L714 HydrophobicContact CG-CD2 4.5Å; L583-F737 HydrophobicContact CD1-CE1 4.29Å; L583-F737 HydrophobicContact CD1-CE2 4.13Å; L583-F737 HydrophobicContact CD1-CZ 3.87Å |
| 584 | G | 88.9 | Confident | 91.8 | Very high | 31 Ų | 31 | 17.9 Ų | 17.9 | 32% | 0.32 | 10% | 0.097 | S | C | . | . | trans | 69.9 | -150.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M580 Y582 | M580-G584 PolarHBondContact O-N 2.81Å; Y582-G584 VanDerWaalsContact C-N 3.31Å; Y582-G584 PolarHBondContact O-N 3.28Å | ||
| 585 | F | 92.6 | Very high | 92 | Very high | 72 Ų | 72 | 17.4 Ų | 17.4 | 32% | 0.316 | 9% | 0.094 | S | C | . | . | trans | -93.8 | 135.5 | -177.1 | 174.5 | -104.9 | 0 | 0 | 0 | 112.2 | S591 A895 P897 | F585-S591 VanDerWaalsContact CD2-OG 3.3Å; F585-S591 WeakPolarHBondContact CD2-OG 3.28Å; F585-A895 VanDerWaalsContact CE1-O 3.25Å; F585-A895 WeakPolarHBondContact CE1-O 3.21Å; F585-A895 HydrophobicContact CZ-CB 4.1Å; F585-A895 WeakPolarHBondContact CZ-O 3.21Å; F585-P897 HydrophobicContact CB-CB 4.3Å; F585-P897 HydrophobicContact CB-CG 4.35Å; F585-P897 HydrophobicContact CD2-CB 3.47Å; F585-P897 VanDerWaalsContact CD2-CB 3.47Å; F585-P897 HydrophobicContact CD2-CG 4.03Å; F585-P897 HydrophobicContact CE2-CB 3.94Å; F585-P897 HydrophobicContact CE2-CG 4.47Å; F585-P897 HydrophobicContact CG-CB 3.94Å; F585-P897 HydrophobicContact CG-CG 4.04Å | ||
| 586 | H | 95.4 | Very high | 92.3 | Very high | 26 Ų | 26 | 16.1 Ų | 16.1 | 12% | 0.12 | 9% | 0.085 | C | C | . | . | B | Isolated β-bridge | trans | -144.9 | 139.4 | 163.8 | -179.9 | -86.6 | 0 | 0 | 0 | 108.6 | N588 V589 F708 | H586-N588 PolarHBondContact ND1-N 3.08Å; H586-N588 VanDerWaalsContact ND1-N 3.11Å; H586-N588 PolarHBondContact O-N 3.13Å; H586-N588 VanDerWaalsContact O-N 3.12Å; H586-V589 HydrophobicContact CB-CB 4.06Å; H586-V589 HydrophobicContact CB-CG2 4.04Å; H586-V589 PolarHBondContact O-N 3.06Å; H586-V589 VanDerWaalsContact O-N 3.07Å; H586-V589 VanDerWaalsContact O-O 3.07Å; H586-F708 HydrophobicContact CB-CD1 3.76Å; H586-F708 HydrophobicContact CB-CD2 4.41Å; H586-F708 HydrophobicContact CB-CE1 3.77Å; H586-F708 HydrophobicContact CB-CE2 4.41Å; H586-F708 HydrophobicContact CB-CG 4.07Å; H586-F708 HydrophobicContact CB-CZ 4.1Å; H586-F708 AromaticContact CD2-CD2 3.65Å; H586-F708 AromaticContact CD2-CG 3.48Å; H586-F708 VanDerWaalsContact CD2-CG 3.48Å; H586-F708 WeakPolarHBondContact CD2-CG 3.25Å; H586-F708 AromaticContact CG-CD1 3.82Å; H586-F708 AromaticContact CG-CG 3.73Å |
| 587 | P | 94.8 | Very high | 92.5 | Very high | 18 Ų | 18 | 15.7 Ų | 15.7 | 12% | 0.117 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -37.1 | -174.9 | 17.9 | -32.9 | 0 | 0 | 0 | 113.6 | K733 L892 A895 | P587-K733 WeakPolarHBondContact O-CD 3.47Å; P587-K733 WeakPolarHBondContact O-CE 3.35Å; P587-K733 PolarHBondContact O-NZ 3.32Å; P587-L892 HydrophobicContact CB-CD2 3.84Å; P587-L892 HydrophobicContact CG-CD2 4.29Å; P587-A895 HydrophobicContact CB-CB 3.81Å |
| 588 | N | 98 | Very high | 92.2 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 14.9 | -179.1 | -57.1 | 118.9 | 0 | 0 | 0 | 115.8 | H586 Q701 N704 V732 I734 L892 | H586-N588 PolarHBondContact ND1-N 3.08Å; H586-N588 VanDerWaalsContact ND1-N 3.11Å; H586-N588 PolarHBondContact O-N 3.13Å; H586-N588 VanDerWaalsContact O-N 3.12Å; N588-Q701 WeakPolarHBondContact CB-O 3.34Å; N588-Q701 WeakPolarHBondContact ND2-CB 3.21Å; N588-Q701 PolarHBondContact ND2-OE1 3.36Å; N588-Q701 VanDerWaalsContact ND2-OE1 3.09Å; N588-N704 PolarHBondContact OD1-ND2 3.44Å; N588-V732 CarbonylContact C-O 3.22Å; N588-V732 WeakPolarHBondContact CA-O 3.5Å; N588-V732 WeakPolarHBondContact CB-O 3.4Å; N588-V732 PolarHBondContact ND2-O 2.84Å; N588-V732 VanDerWaalsContact ND2-O 3.09Å; N588-I734 WeakPolarHBondContact O-CG1 3.47Å; N588-I734 PolarHBondContact O-N 2.85Å; N588-L892 WeakPolarHBondContact ND2-CD2 3.33Å; N588-L892 VanDerWaalsContact OD1-CD2 3.29Å; N588-L892 WeakPolarHBondContact OD1-CD2 3.27Å |
| 589 | V | 96.5 | Very high | 92.1 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | B | Isolated β-bridge | trans | -122.1 | 135.9 | 175 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | L583 H586 S591 F708 L709 F737 | L583-V589 HydrophobicContact CD1-CG1 4.3Å; H586-V589 HydrophobicContact CB-CB 4.06Å; H586-V589 HydrophobicContact CB-CG2 4.04Å; H586-V589 PolarHBondContact O-N 3.06Å; H586-V589 VanDerWaalsContact O-N 3.07Å; H586-V589 VanDerWaalsContact O-O 3.07Å; V589-S591 PolarHBondContact O-N 2.71Å; V589-S591 PolarHBondContact O-OG 3.23Å; V589-F708 HydrophobicContact CG2-CD1 3.85Å; V589-F708 HydrophobicContact CG2-CE1 4.4Å; V589-L709 HydrophobicContact CG1-CD2 4.07Å; V589-L709 HydrophobicContact CG2-CD2 3.96Å; V589-L709 HydrophobicContact CG2-CG 4.24Å; V589-F737 HydrophobicContact CG1-CZ 3.71Å |
| 590 | L | 95.4 | Very high | 92.1 | Very high | 15 Ų | 15 | 24.2 Ų | 24.2 | 8% | 0.079 | 12% | 0.121 | C | C | . | . | P | Polyproline II helix | trans | -59.5 | 122.6 | -178.5 | -172.6 | 68.2 | 0 | 0 | 0 | 110.1 | M580 T609 E610 L725 K733 I734 | M580-L590 HydrophobicContact CE-CG 4.45Å; M580-L590 VanDerWaalsContact CE-O 3.29Å; M580-L590 WeakPolarHBondContact CE-O 3.43Å; L590-T609 HydrophobicContact CD2-CG2 3.99Å; L590-T609 HydrophobicContact CG-CG2 4.27Å; L590-E610 HydrophobicContact CD1-CG 3.58Å; L590-L725 HydrophobicContact CD1-CD1 4.02Å; L590-L725 HydrophobicContact CD2-CD1 4.06Å; L590-K733 HydrophobicContact CB-CB 4.38Å; L590-K733 HydrophobicContact CD1-CB 4.17Å; L590-I734 VanDerWaalsContact CB-O 3.31Å; L590-I734 WeakPolarHBondContact CB-O 3.4Å; L590-I734 PolarHBondContact N-O 2.9Å |
| 591 | S | 92.8 | Very high | 91.8 | Very high | 5 Ų | 5 | 25.7 Ų | 25.7 | 4% | 0.035 | 13% | 0.13 | C | C | . | . | P | Polyproline II helix | trans | -93.6 | 141.2 | -172.2 | -61.9 | 0 | 0 | 0 | 0 | 112.7 | F585 V589 T609 E610 | F585-S591 VanDerWaalsContact CD2-OG 3.3Å; F585-S591 WeakPolarHBondContact CD2-OG 3.28Å; V589-S591 PolarHBondContact O-N 2.71Å; V589-S591 PolarHBondContact O-OG 3.23Å; S591-T609 WeakPolarHBondContact O-CA 3.35Å; S591-T609 WeakPolarHBondContact O-CB 3.21Å; S591-E610 WeakPolarHBondContact CB-OE1 3.19Å; S591-E610 PolarHBondContact N-OE1 3.39Å; S591-E610 PolarHBondContact O-N 2.64Å; S591-E610 VanDerWaalsContact O-N 3.15Å; S591-E610 PolarHBondContact OG-OE1 3.37Å |
| 592 | L | 93.8 | Very high | 91.7 | Very high | 16 Ų | 16 | 32.9 Ų | 32.9 | 8% | 0.084 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 125.9 | 172.2 | -173.8 | 71.6 | 0 | 0 | 0 | 110 | Y517 L577 M580 V581 G594 L607 I608 | Y517-L592 HydrophobicContact CD1-CD2 3.58Å; Y517-L592 HydrophobicContact CD1-CG 3.91Å; Y517-L592 HydrophobicContact CD2-CD2 4.25Å; Y517-L592 HydrophobicContact CE1-CB 4.32Å; Y517-L592 HydrophobicContact CE1-CD2 3.8Å; Y517-L592 HydrophobicContact CE1-CG 4.09Å; Y517-L592 HydrophobicContact CE2-CD2 4.45Å; Y517-L592 HydrophobicContact CG-CD2 3.82Å; L577-L592 HydrophobicContact CD1-CD1 3.71Å; L577-L592 HydrophobicContact CD1-CD2 3.75Å; L577-L592 HydrophobicContact CD1-CG 4.41Å; M580-L592 HydrophobicContact CB-CB 4.04Å; M580-L592 HydrophobicContact CE-CB 4.16Å; V581-L592 HydrophobicContact CB-CD2 4.5Å; V581-L592 HydrophobicContact CG2-CD2 3.42Å; V581-L592 VanDerWaalsContact CG2-CD2 3.42Å; L592-G594 WeakPolarHBondContact CD1-O 3.37Å; L592-L607 HydrophobicContact CD1-CD2 4.11Å; L592-L607 HydrophobicContact CD1-CG 4.13Å; L592-I608 WeakPolarHBondContact CD1-O 3.07Å |
| 593 | V | 92.3 | Very high | 91.7 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 3% | 0.03 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -41.8 | 172.5 | 175.3 | 0 | 0 | 0 | 0 | 109.9 | I543 L554 V556 I608 E610 Q898 I900 | I543-V593 HydrophobicContact CD1-CG1 4.21Å; L554-V593 HydrophobicContact CD2-CG1 3.99Å; V556-V593 HydrophobicContact CG1-CG1 4.1Å; V593-I608 HydrophobicContact CB-CG2 4.29Å; V593-I608 PolarHBondContact N-O 3.5Å; V593-E610 HydrophobicContact CG2-CB 4.43Å; V593-Q898 HydrophobicContact CG2-CB 3.93Å; V593-I900 HydrophobicContact CG1-CD1 4.09Å; V593-I900 HydrophobicContact CG1-CG1 3.58Å; V593-I900 VanDerWaalsContact O-CD1 3.29Å; V593-I900 WeakPolarHBondContact O-CD1 3.18Å |
| 594 | G | 92.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.8 | -173.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y517 L592 I608 | Y517-G594 CarbonylContact O-C 3.52Å; Y517-G594 WeakPolarHBondContact O-CA 3.27Å; L592-G594 WeakPolarHBondContact CD1-O 3.37Å; G594-I608 PolarHBondContact N-O 2.95Å; G594-I608 WeakPolarHBondContact O-CA 3.37Å; G594-I608 WeakPolarHBondContact O-CB 3.38Å; G594-I608 PolarHBondContact O-N 2.97Å; G594-I608 VanDerWaalsContact O-O 3.09Å |
| 595 | A | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 155 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y513 Y517 E518 V519 L577 T597 Y606 | Y513-A595 HydrophobicContact CE2-CB 4.29Å; Y517-A595 PolarHBondContact O-N 2.87Å; E518-A595 CarbonylContact C-O 3.48Å; E518-A595 WeakPolarHBondContact CA-O 3.4Å; V519-A595 PolarHBondContact N-O 3.13Å; L577-A595 HydrophobicContact CD1-CB 3.67Å; L577-A595 HydrophobicContact CD2-CB 3.78Å; L577-A595 HydrophobicContact CG-CB 4.4Å; A595-T597 HydrophobicContact CB-CG2 4.07Å; A595-Y606 CarbonylContact C-O 3.51Å; A595-Y606 WeakPolarHBondContact CA-O 3.45Å; A595-Y606 WeakPolarHBondContact CB-O 3.16Å |
| 596 | V | 93.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.006 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 110.5 | 168.1 | -175.4 | 0 | 0 | 0 | 0 | 107.2 | V519 K521 L524 L605 Y606 I608 | V519-V596 HydrophobicContact CB-CG2 4.44Å; V519-V596 WeakPolarHBondContact O-CG2 3.33Å; K521-V596 HydrophobicContact CB-CG1 4.08Å; L524-V596 HydrophobicContact CD2-CG2 4.25Å; V596-L605 WeakPolarHBondContact O-CA 3.23Å; V596-Y606 HydrophobicContact CB-CD2 3.82Å; V596-Y606 HydrophobicContact CB-CG 4.22Å; V596-Y606 HydrophobicContact CG1-CD2 4.28Å; V596-Y606 HydrophobicContact CG2-CD2 3.82Å; V596-Y606 HydrophobicContact CG2-CG 4.43Å; V596-Y606 PolarHBondContact N-O 2.89Å; V596-Y606 PolarHBondContact O-N 3.12Å; V596-I608 HydrophobicContact CG2-CD1 4.27Å |
| 597 | T | 92.1 | Very high | 92 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | -27.5 | -175.3 | 70.1 | 0 | 0 | 0 | 0 | 112.8 | L488 Y513 E518 L577 A595 H599 M600 L605 | L488-T597 HydrophobicContact CD2-CG2 4.02Å; Y513-T597 HydrophobicContact CE1-CG2 3.92Å; Y513-T597 HydrophobicContact CE2-CG2 4.33Å; E518-T597 VanDerWaalsContact CD-OG1 3.28Å; E518-T597 PolarHBondContact OE1-N 2.81Å; E518-T597 PolarHBondContact OE1-OG1 3.38Å; E518-T597 WeakPolarHBondContact OE2-CB 3.45Å; E518-T597 PolarHBondContact OE2-N 2.83Å; E518-T597 PolarHBondContact OE2-OG1 3.29Å; L577-T597 HydrophobicContact CD2-CG2 3.83Å; A595-T597 HydrophobicContact CB-CG2 4.07Å; T597-H599 PolarHBondContact O-N 3.33Å; T597-M600 WeakPolarHBondContact O-CB 3.4Å; T597-M600 WeakPolarHBondContact O-CG 3.35Å; T597-M600 PolarHBondContact O-N 3.39Å; T597-M600 VanDerWaalsContact O-N 3.07Å; T597-L605 HydrophobicContact CG2-CD1 4.01Å |
| 598 | K | 87 | Confident | 92.1 | Very high | 126 Ų | 126 | 25.2 Ų | 25.2 | 55% | 0.548 | 11% | 0.114 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | -26.9 | -177.6 | -76.3 | 178.1 | 177.9 | -179.1 | 0 | 115.1 | E518 | E518-K598 HydrophobicContact CG-CD 4.33Å; E518-K598 HydrophobicContact CG-CG 4.36Å; E518-K598 WeakPolarHBondContact OE1-CG 3.43Å; E518-K598 PolarHBondContact OE1-N 3.27Å |
| 599 | H | 86.4 | Confident | 91.9 | Very high | 73 Ų | 73 | 25.7 Ų | 25.7 | 34% | 0.338 | 12% | 0.117 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 16.6 | -176.1 | -57.3 | -49.2 | 0 | 0 | 0 | 113.9 | T597 V601 R602 E604 | T597-H599 PolarHBondContact O-N 3.33Å; H599-V601 PolarHBondContact O-N 2.87Å; H599-V601 VanDerWaalsContact O-N 3.13Å; H599-R602 WeakPolarHBondContact O-CB 3.3Å; H599-R602 PolarHBondContact O-N 3.3Å; H599-E604 CarbonylContact C-O 3.6Å; H599-E604 VanDerWaalsContact C-O 3.31Å; H599-E604 HydrophobicContact CB-CB 3.78Å; H599-E604 HydrophobicContact CB-CG 4.48Å; H599-E604 WeakPolarHBondContact CB-OE2 3.3Å; H599-E604 IonicContact CD2-OE2 2.9Å; H599-E604 IonicContact CG-OE2 2.64Å; H599-E604 PolarHBondContact O-N 2.93Å |
| 600 | M | 88.9 | Confident | 91.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -57.7 | -32.2 | -176.5 | 66.8 | 173.5 | -77.5 | 0 | 0 | 114 | L481 M484 Y485 Q570 T597 R602 G603 E604 L605 | L481-M600 HydrophobicContact CD2-CE 4.3Å; L481-M600 WeakPolarHBondContact O-CE 3.25Å; M484-M600 HydrophobicContact CB-CE 3.73Å; M484-M600 HydrophobicContact CG-CE 3.72Å; M484-M600 HydrophobicContact SD-CE 3.58Å; M484-M600 VanDerWaalsContact SD-CE 3.58Å; Y485-M600 VanDerWaalsContact CA-SD 3.57Å; Y485-M600 VanDerWaalsContact CB-SD 3.53Å; Y485-M600 HydrophobicContact CD2-CG 3.87Å; Y485-M600 HydrophobicContact CD2-SD 3.71Å; Y485-M600 HydrophobicContact CG-CG 4.33Å; Y485-M600 HydrophobicContact CG-SD 4.12Å; Q570-M600 PolarHBondContact NE2-O 2.9Å; Q570-M600 PolarHBondContact OE1-O 3.08Å; T597-M600 WeakPolarHBondContact O-CB 3.4Å; T597-M600 WeakPolarHBondContact O-CG 3.35Å; T597-M600 PolarHBondContact O-N 3.39Å; T597-M600 VanDerWaalsContact O-N 3.07Å; M600-R602 PolarHBondContact O-N 3.41Å; M600-G603 WeakPolarHBondContact O-CA 3.24Å; M600-G603 PolarHBondContact O-N 2.98Å; M600-E604 PolarHBondContact N-O 2.9Å; M600-L605 HydrophobicContact CB-CB 4.14Å |
| 601 | V | 85.8 | Confident | 91.8 | Very high | 37 Ų | 37 | 27.2 Ų | 27.2 | 22% | 0.224 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -62.1 | -32.3 | 176.9 | -177.2 | 0 | 0 | 0 | 0 | 112.1 | V478 L481 K482 H599 G603 | V478-V601 HydrophobicContact CG1-CG1 3.98Å; L481-V601 HydrophobicContact CB-CG2 4.3Å; K482-V601 HydrophobicContact CG-CG1 4.21Å; K482-V601 HydrophobicContact CG-CG2 3.9Å; H599-V601 PolarHBondContact O-N 2.87Å; H599-V601 VanDerWaalsContact O-N 3.13Å; V601-G603 PolarHBondContact O-N 3.45Å |
| 602 | R | 86.3 | Confident | 91.9 | Very high | 174 Ų | 174 | 27.4 Ų | 27.4 | 66% | 0.657 | 13% | 0.125 | S | C | * | . | G | 310 helix | trans | -78.7 | -6.2 | 174.4 | -64.3 | 176.4 | 65.9 | 170 | 0.6 | 112.8 | H599 M600 E604 | H599-R602 WeakPolarHBondContact O-CB 3.3Å; H599-R602 PolarHBondContact O-N 3.3Å; M600-R602 PolarHBondContact O-N 3.41Å; R602-E604 HydrophobicContact CB-CG 4.38Å |
| 603 | G | 87.6 | Confident | 91.9 | Very high | 10 Ų | 10 | 29.1 Ų | 29.1 | 10% | 0.103 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | 14.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G564 M600 V601 | G564-G603 VanDerWaalsContact C-CA 3.44Å; G564-G603 VanDerWaalsContact CA-O 3.23Å; G564-G603 WeakPolarHBondContact CA-O 3.46Å; G564-G603 WeakPolarHBondContact O-CA 2.88Å; M600-G603 WeakPolarHBondContact O-CA 3.24Å; M600-G603 PolarHBondContact O-N 2.98Å; V601-G603 PolarHBondContact O-N 3.45Å |
| 604 | E | 90.3 | Very high | 91.9 | Very high | 32 Ų | 32 | 31.7 Ų | 31.7 | 15% | 0.15 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 80 | -173.4 | -56.6 | 178.3 | 169.8 | 0 | 0 | 109.4 | K521 H599 M600 R602 | K521-E604 WeakPolarHBondContact CD-OE2 3.5Å; K521-E604 VanDerWaalsContact CE-OE2 3.32Å; K521-E604 WeakPolarHBondContact CE-OE2 3.46Å; K521-E604 IonicContact NZ-OE1 2.9Å; K521-E604 PolarHBondContact NZ-OE1 3.38Å; K521-E604 IonicContact NZ-OE2 3.21Å; K521-E604 PolarHBondContact NZ-OE2 2.61Å; H599-E604 CarbonylContact C-O 3.6Å; H599-E604 VanDerWaalsContact C-O 3.31Å; H599-E604 HydrophobicContact CB-CB 3.78Å; H599-E604 HydrophobicContact CB-CG 4.48Å; H599-E604 WeakPolarHBondContact CB-OE2 3.3Å; H599-E604 IonicContact CD2-OE2 2.9Å; H599-E604 IonicContact CG-OE2 2.64Å; H599-E604 PolarHBondContact O-N 2.93Å; M600-E604 PolarHBondContact N-O 2.9Å; R602-E604 HydrophobicContact CB-CG 4.38Å |
| 605 | L | 94.4 | Very high | 92 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 118.6 | 174.1 | 174.9 | 65 | 0 | 0 | 0 | 107.9 | P561 Q570 L573 L574 V596 T597 M600 | P561-L605 WeakPolarHBondContact CD-O 3.47Å; P561-L605 HydrophobicContact CG-CB 4.33Å; Q570-L605 HydrophobicContact CB-CD2 4.07Å; Q570-L605 HydrophobicContact CG-CD2 4.27Å; L573-L605 HydrophobicContact CB-CD2 4.14Å; L573-L605 HydrophobicContact CD2-CD2 4.05Å; L573-L605 HydrophobicContact CD2-CG 3.93Å; L573-L605 HydrophobicContact CG-CD2 4.27Å; L573-L605 HydrophobicContact CG-CG 4.47Å; L574-L605 HydrophobicContact CB-CD2 4.49Å; V596-L605 WeakPolarHBondContact O-CA 3.23Å; T597-L605 HydrophobicContact CG2-CD1 4.01Å; M600-L605 HydrophobicContact CB-CB 4.14Å |
| 606 | Y | 95.6 | Very high | 92 | Very high | 30 Ų | 30 | 34 Ų | 34 | 12% | 0.118 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 127.3 | -177.1 | -56.6 | -34 | 0 | 0 | 0 | 110.6 | K521 L524 V558 M560 A595 V596 | K521-Y606 HydrophobicContact CG-CE2 4.41Å; L524-Y606 HydrophobicContact CD2-CD2 3.65Å; L524-Y606 HydrophobicContact CD2-CE2 4.28Å; L524-Y606 HydrophobicContact CD2-CG 4.34Å; V558-Y606 HydrophobicContact CG1-CD1 4.31Å; V558-Y606 HydrophobicContact CG1-CG 4.03Å; M560-Y606 HydrophobicContact CB-CD1 3.53Å; M560-Y606 HydrophobicContact CB-CE1 3.79Å; M560-Y606 HydrophobicContact CE-CD1 4.27Å; M560-Y606 HydrophobicContact CE-CE1 4.17Å; M560-Y606 HydrophobicContact SD-CE1 4.14Å; A595-Y606 CarbonylContact C-O 3.51Å; A595-Y606 WeakPolarHBondContact CA-O 3.45Å; A595-Y606 WeakPolarHBondContact CB-O 3.16Å; V596-Y606 HydrophobicContact CB-CD2 3.82Å; V596-Y606 HydrophobicContact CB-CG 4.22Å; V596-Y606 HydrophobicContact CG1-CD2 4.28Å; V596-Y606 HydrophobicContact CG2-CD2 3.82Å; V596-Y606 HydrophobicContact CG2-CG 4.43Å; V596-Y606 PolarHBondContact N-O 2.89Å; V596-Y606 PolarHBondContact O-N 3.12Å |
| 607 | L | 94.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 121.4 | 170.7 | -176.1 | 166.5 | 0 | 0 | 0 | 107.4 | V558 K559 L573 E576 L577 M580 L592 T609 | V558-L607 CarbonylContact C-O 3.49Å; V558-L607 WeakPolarHBondContact CA-O 3.29Å; K559-L607 HydrophobicContact CB-CB 4.38Å; K559-L607 PolarHBondContact N-O 2.78Å; K559-L607 PolarHBondContact O-N 3.43Å; L573-L607 HydrophobicContact CD1-CB 3.78Å; L573-L607 HydrophobicContact CD1-CD1 3.88Å; L573-L607 HydrophobicContact CD1-CG 4.48Å; L573-L607 HydrophobicContact CG-CB 4.24Å; E576-L607 HydrophobicContact CB-CD1 4.08Å; E576-L607 HydrophobicContact CG-CD1 3.82Å; L577-L607 HydrophobicContact CB-CD1 4.07Å; L577-L607 HydrophobicContact CD1-CG 4.38Å; M580-L607 HydrophobicContact CE-CD2 4.48Å; M580-L607 HydrophobicContact SD-CD1 3.98Å; M580-L607 HydrophobicContact SD-CD2 3.85Å; M580-L607 HydrophobicContact SD-CG 4.39Å; L592-L607 HydrophobicContact CD1-CD2 4.11Å; L592-L607 HydrophobicContact CD1-CG 4.13Å; L607-T609 HydrophobicContact CD2-CG2 3.23Å |
| 608 | I | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 117.3 | -172.5 | -49.2 | 170.5 | 0 | 0 | 0 | 109.2 | V519 L524 I543 V556 A557 V558 L592 V593 G594 V596 | V519-I608 HydrophobicContact CB-CD1 3.94Å; V519-I608 HydrophobicContact CG1-CD1 4.28Å; V519-I608 HydrophobicContact CG2-CD1 3.84Å; L524-I608 HydrophobicContact CD1-CD1 4.11Å; L524-I608 HydrophobicContact CD2-CD1 4.32Å; I543-I608 HydrophobicContact CD1-CG2 4.34Å; V556-I608 HydrophobicContact CB-CG2 3.56Å; V556-I608 HydrophobicContact CG1-CG2 3.93Å; V556-I608 HydrophobicContact CG2-CG2 3.51Å; A557-I608 CarbonylContact O-C 3.16Å; A557-I608 WeakPolarHBondContact O-CA 3.44Å; V558-I608 HydrophobicContact CG2-CG1 4.3Å; V558-I608 HydrophobicContact CG2-CG2 4.38Å; L592-I608 WeakPolarHBondContact CD1-O 3.07Å; V593-I608 HydrophobicContact CB-CG2 4.29Å; V593-I608 PolarHBondContact N-O 3.5Å; G594-I608 PolarHBondContact N-O 2.95Å; G594-I608 WeakPolarHBondContact O-CA 3.37Å; G594-I608 WeakPolarHBondContact O-CB 3.38Å; G594-I608 PolarHBondContact O-N 2.97Å; G594-I608 VanDerWaalsContact O-O 3.09Å; V596-I608 HydrophobicContact CG2-CD1 4.27Å |
| 609 | T | 95.1 | Very high | 92.6 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 7% | 0.067 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 170 | 179.9 | 68.1 | 0 | 0 | 0 | 0 | 111.6 | V556 A557 M580 L590 S591 L607 | V556-T609 WeakPolarHBondContact CB-O 3.19Å; A557-T609 PolarHBondContact N-O 2.98Å; A557-T609 PolarHBondContact O-N 3.36Å; M580-T609 HydrophobicContact CE-CG2 3.58Å; M580-T609 HydrophobicContact SD-CG2 4.28Å; L590-T609 HydrophobicContact CD2-CG2 3.99Å; L590-T609 HydrophobicContact CG-CG2 4.27Å; S591-T609 WeakPolarHBondContact O-CA 3.35Å; S591-T609 WeakPolarHBondContact O-CB 3.21Å; L607-T609 HydrophobicContact CD2-CG2 3.23Å |
| 610 | E | 93.8 | Very high | 93 | Very high | 10 Ų | 10 | 31.7 Ų | 31.7 | 5% | 0.047 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 144.2 | 165.8 | 64.4 | -176.4 | 133.4 | 0 | 0 | 110.7 | L590 S591 V593 K733 Q898 | L590-E610 HydrophobicContact CD1-CG 3.58Å; S591-E610 WeakPolarHBondContact CB-OE1 3.19Å; S591-E610 PolarHBondContact N-OE1 3.39Å; S591-E610 PolarHBondContact O-N 2.64Å; S591-E610 VanDerWaalsContact O-N 3.15Å; S591-E610 PolarHBondContact OG-OE1 3.37Å; V593-E610 HydrophobicContact CG2-CB 4.43Å; E610-K733 WeakPolarHBondContact OE1-CD 3.28Å; E610-K733 WeakPolarHBondContact OE1-CE 3.48Å; E610-K733 IonicContact OE1-NZ 2.68Å; E610-K733 PolarHBondContact OE1-NZ 2.86Å; E610-K733 WeakPolarHBondContact OE2-CE 3.44Å; E610-K733 IonicContact OE2-NZ 2.76Å; E610-K733 PolarHBondContact OE2-NZ 2.02Å; E610-Q898 HydrophobicContact CB-CG 4.3Å |
| 611 | F | 94.7 | Very high | 93.2 | Very high | 40 Ų | 40 | 31.7 Ų | 31.7 | 18% | 0.175 | 16% | 0.163 | C | C | . | . | trans | -90.2 | 115.4 | 176.8 | 178.8 | -112.9 | 0 | 0 | 0 | 110.6 | L530 K540 T555 A557 S613 | L530-F611 HydrophobicContact CD1-CD2 4.17Å; L530-F611 HydrophobicContact CD1-CE2 3.72Å; L530-F611 HydrophobicContact CD2-CE2 4.33Å; K540-F611 HydrophobicContact CD-CE2 4.24Å; K540-F611 HydrophobicContact CD-CZ 4.06Å; K540-F611 HydrophobicContact CG-CD2 4.27Å; K540-F611 HydrophobicContact CG-CE2 4.01Å; K540-F611 HydrophobicContact CG-CZ 4.29Å; T555-F611 HydrophobicContact CG2-CB 4.02Å; T555-F611 HydrophobicContact CG2-CD1 3.57Å; T555-F611 HydrophobicContact CG2-CE1 4.17Å; T555-F611 HydrophobicContact CG2-CG 3.81Å; A557-F611 HydrophobicContact CB-CD2 4.35Å; F611-S613 PolarHBondContact O-N 3.12Å | ||
| 612 | C | 95.1 | Very high | 93.5 | Very high | 9 Ų | 9 | 35 Ų | 35 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | trans | -88.2 | 97.1 | 173.6 | -65.7 | 0 | 0 | 0 | 0 | 109.6 | L614 G615 L725 L726 | C612-L614 VanDerWaalsContact C-N 3.28Å; C612-L614 PolarHBondContact O-N 3.11Å; C612-G615 PolarHBondContact O-N 3.3Å; C612-G615 VanDerWaalsContact O-N 3.14Å; C612-L725 HydrophobicContact CB-CB 3.59Å; C612-L725 HydrophobicContact CB-CD1 4.32Å; C612-L725 HydrophobicContact CB-CG 4.48Å; C612-L725 VanDerWaalsContact SG-CB 3.54Å; C612-L726 CarbonylContact C-O 3.56Å; C612-L726 WeakPolarHBondContact CB-O 3.22Å | ||
| 613 | S | 93.4 | Very high | 93.6 | Very high | 51 Ų | 51 | 33.3 Ų | 33.3 | 36% | 0.357 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -22.9 | -169.4 | 51.1 | 0 | 0 | 0 | 0 | 115.2 | F611 G615 E728 | F611-S613 PolarHBondContact O-N 3.12Å; S613-G615 VanDerWaalsContact C-N 3.32Å; S613-E728 WeakPolarHBondContact OG-CB 3.37Å; S613-E728 PolarHBondContact OG-N 3.07Å |
| 614 | L | 93.7 | Very high | 93.6 | Very high | 59 Ų | 59 | 35.1 Ų | 35.1 | 31% | 0.309 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 1.8 | 177.3 | -59.1 | -175.8 | 0 | 0 | 0 | 113.2 | C612 Y620 L726 T727 | C612-L614 VanDerWaalsContact C-N 3.28Å; C612-L614 PolarHBondContact O-N 3.11Å; L614-Y620 HydrophobicContact CB-CD2 4.13Å; L614-Y620 HydrophobicContact CB-CE2 4.44Å; L614-Y620 HydrophobicContact CD1-CD2 4.43Å; L614-Y620 HydrophobicContact CD1-CE2 3.97Å; L614-Y620 HydrophobicContact CD2-CE2 4.5Å; L614-L726 HydrophobicContact CB-CB 3.97Å; L614-L726 HydrophobicContact CB-CD2 4.02Å; L614-L726 HydrophobicContact CB-CG 4.14Å; L614-L726 WeakPolarHBondContact CB-O 3.45Å; L614-L726 HydrophobicContact CD1-CD2 3.64Å; L614-L726 HydrophobicContact CD1-CG 3.97Å; L614-L726 HydrophobicContact CG-CD2 4.48Å; L614-L726 PolarHBondContact N-O 3.11Å; L614-L726 VanDerWaalsContact N-O 3.11Å; L614-T727 WeakPolarHBondContact CD1-O 3.36Å |
| 615 | G | 93.9 | Very high | 93.3 | Very high | 31 Ų | 31 | 34.3 Ų | 34.3 | 32% | 0.32 | 17% | 0.174 | S | C | . | . | trans | 75.5 | -153.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | C612 S613 L725 L726 | C612-G615 PolarHBondContact O-N 3.3Å; C612-G615 VanDerWaalsContact O-N 3.14Å; S613-G615 VanDerWaalsContact C-N 3.32Å; G615-L725 CarbonylContact O-C 3.54Å; G615-L725 WeakPolarHBondContact O-CA 3.31Å; G615-L726 PolarHBondContact O-N 2.97Å | ||
| 616 | C | 94.7 | Very high | 92.6 | Very high | 19 Ų | 19 | 39.1 Ų | 39.1 | 13% | 0.128 | 21% | 0.205 | C | C | . | . | B | Isolated β-bridge | trans | -82.1 | 143 | 178.9 | 84 | 0 | 0 | 0 | 0 | 111.8 | R618 D619 Y620 R722 L724 L725 | C616-R618 PolarHBondContact O-N 3.35Å; C616-D619 PolarHBondContact O-N 3.23Å; C616-D619 VanDerWaalsContact O-N 3.13Å; C616-D619 PolarHBondContact SG-OD2 3.06Å; C616-Y620 PolarHBondContact O-N 3.44Å; C616-R722 WeakPolarHBondContact CB-O 3.2Å; C616-L724 CarbonylContact C-O 3.36Å; C616-L724 VanDerWaalsContact CA-O 3.28Å; C616-L724 WeakPolarHBondContact CA-O 3.23Å; C616-L725 HydrophobicContact CB-CD2 4.07Å |
| 617 | L | 96.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.3 | -31.5 | -174 | -174.6 | 58.5 | 0 | 0 | 0 | 112 | Y620 V621 Y698 L721 L724 L726 V732 | L617-Y620 HydrophobicContact CD1-CD1 4.27Å; L617-V621 HydrophobicContact CD1-CG2 3.82Å; L617-V621 HydrophobicContact CG-CG2 4.11Å; L617-V621 WeakPolarHBondContact O-CB 3.24Å; L617-V621 VanDerWaalsContact O-CG2 3.24Å; L617-V621 WeakPolarHBondContact O-CG2 3.4Å; L617-V621 PolarHBondContact O-N 3.46Å; L617-Y698 HydrophobicContact CD1-CD1 4.45Å; L617-Y698 HydrophobicContact CD1-CD2 3.81Å; L617-Y698 HydrophobicContact CD1-CE2 3.95Å; L617-Y698 HydrophobicContact CD1-CG 4.08Å; L617-Y698 HydrophobicContact CD2-CD2 4.49Å; L617-Y698 HydrophobicContact CD2-CG 4.24Å; L617-L721 HydrophobicContact CB-CD1 4.12Å; L617-L721 HydrophobicContact CB-CG 4.31Å; L617-L721 HydrophobicContact CD2-CD1 3.59Å; L617-L721 HydrophobicContact CG-CD1 3.77Å; L617-L721 HydrophobicContact CG-CG 4.3Å; L617-L724 HydrophobicContact CB-CB 4.01Å; L617-L724 HydrophobicContact CD2-CB 4.38Å; L617-L724 HydrophobicContact CD2-CD1 4.3Å; L617-L724 PolarHBondContact N-O 3.27Å; L617-L726 HydrophobicContact CD1-CD1 4.44Å; L617-L726 HydrophobicContact CD1-CD2 4.3Å; L617-V732 HydrophobicContact CD2-CG1 4.34Å; L617-V732 HydrophobicContact CD2-CG2 4.19Å |
| 618 | R | 95.1 | Very high | 90.8 | Very high | 67 Ų | 67 | 41.8 Ų | 41.8 | 25% | 0.253 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.4 | -48.8 | 175.9 | -175.6 | -168 | 66.6 | -165.1 | -7.3 | 112 | C616 R622 L721 | C616-R618 PolarHBondContact O-N 3.35Å; R618-R622 WeakPolarHBondContact O-CB 3.42Å; R618-R622 VanDerWaalsContact O-CG 3.28Å; R618-R622 WeakPolarHBondContact O-CG 3.36Å; R618-R622 PolarHBondContact O-N 3.17Å; R618-R622 VanDerWaalsContact O-N 3.07Å; R618-L721 HydrophobicContact CB-CB 4Å; R618-L721 HydrophobicContact CB-CD2 3.99Å; R618-L721 HydrophobicContact CB-CG 3.9Å; R618-L721 HydrophobicContact CG-CD2 4.31Å; R618-L721 PolarHBondContact N-O 3.41Å |
| 619 | D | 93.4 | Very high | 89.8 | Confident | 75 Ų | 75 | 42.8 Ų | 42.8 | 40% | 0.401 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -73.9 | -37.6 | -176.3 | -60.1 | -12.8 | 0 | 0 | 0 | 109.7 | C616 R622 Q623 | C616-D619 PolarHBondContact O-N 3.23Å; C616-D619 VanDerWaalsContact O-N 3.13Å; C616-D619 PolarHBondContact SG-OD2 3.06Å; D619-R622 PolarHBondContact O-N 3.12Å; D619-Q623 VanDerWaalsContact O-CB 3.3Å; D619-Q623 WeakPolarHBondContact O-CB 3.47Å; D619-Q623 PolarHBondContact O-N 3.47Å |
| 620 | Y | 94.7 | Very high | 88.8 | Confident | 9 Ų | 9 | 44 Ų | 44 | 4% | 0.035 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59 | -51.1 | 173.4 | -177.8 | -98.1 | 0 | 0 | 0 | 112.2 | L614 C616 L617 R622 Q623 H624 L690 Y698 L726 H730 | L614-Y620 HydrophobicContact CB-CD2 4.13Å; L614-Y620 HydrophobicContact CB-CE2 4.44Å; L614-Y620 HydrophobicContact CD1-CD2 4.43Å; L614-Y620 HydrophobicContact CD1-CE2 3.97Å; L614-Y620 HydrophobicContact CD2-CE2 4.5Å; C616-Y620 PolarHBondContact O-N 3.44Å; L617-Y620 HydrophobicContact CD1-CD1 4.27Å; Y620-R622 PolarHBondContact O-N 3.05Å; Y620-Q623 PolarHBondContact O-N 3.25Å; Y620-H624 AromaticContact CD2-CE1 3.44Å; Y620-H624 VanDerWaalsContact CD2-CE1 3.44Å; Y620-H624 WeakPolarHBondContact CD2-CE1 3.45Å; Y620-H624 AromaticContact CD2-ND1 3.45Å; Y620-H624 WeakPolarHBondContact CD2-ND1 3.33Å; Y620-H624 AromaticContact CE2-CE1 3.27Å; Y620-H624 WeakPolarHBondContact CE2-CE1 3.17Å; Y620-H624 AromaticContact CE2-CG 3.91Å; Y620-H624 AromaticContact CE2-ND1 3.41Å; Y620-H624 WeakPolarHBondContact CE2-ND1 3.41Å; Y620-H624 AromaticContact CE2-NE2 3.67Å; Y620-H624 AromaticContact CG-ND1 3.93Å; Y620-H624 AromaticContact CZ-CG 3.98Å; Y620-H624 AromaticContact CZ-ND1 3.89Å; Y620-H624 PolarHBondContact O-N 3.36Å; Y620-H624 PolarHBondContact O-ND1 3.44Å; Y620-L690 HydrophobicContact CE1-CD2 3.93Å; Y620-Y698 HydrophobicContact CE1-CE2 4.47Å; Y620-Y698 WeakPolarHBondContact CE1-OH 3.42Å; Y620-L726 HydrophobicContact CD1-CD2 3.47Å; Y620-L726 VanDerWaalsContact CD1-CD2 3.47Å; Y620-L726 HydrophobicContact CD2-CD2 4.03Å; Y620-L726 HydrophobicContact CE1-CD2 3.6Å; Y620-L726 HydrophobicContact CE2-CD2 4.18Å; Y620-L726 HydrophobicContact CG-CD2 3.7Å; Y620-H730 AromaticContact CZ-CE1 3.95Å; Y620-H730 PolarHBondContact OH-CE1 2.89Å |
| 621 | V | 92.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.2 | -47 | 178.3 | 172 | 0 | 0 | 0 | 0 | 110.3 | L617 Q623 H624 S625 L690 H789 | L617-V621 HydrophobicContact CD1-CG2 3.82Å; L617-V621 HydrophobicContact CG-CG2 4.11Å; L617-V621 WeakPolarHBondContact O-CB 3.24Å; L617-V621 VanDerWaalsContact O-CG2 3.24Å; L617-V621 WeakPolarHBondContact O-CG2 3.4Å; L617-V621 PolarHBondContact O-N 3.46Å; V621-Q623 VanDerWaalsContact C-N 3.27Å; V621-Q623 PolarHBondContact O-N 3.45Å; V621-H624 PolarHBondContact O-N 3.41Å; V621-S625 WeakPolarHBondContact CG1-OG 3.45Å; V621-S625 WeakPolarHBondContact O-CB 3.17Å; V621-S625 PolarHBondContact O-N 3.46Å; V621-S625 PolarHBondContact O-OG 3.2Å; V621-L690 HydrophobicContact CB-CD1 4.24Å; V621-L690 HydrophobicContact CG1-CD1 4.11Å; V621-L690 HydrophobicContact CG2-CD1 4.17Å; V621-H789 HydrophobicContact CG1-CB 4.23Å |
| 622 | R | 91.9 | Very high | 86.1 | Confident | 106 Ų | 106 | 43.1 Ų | 43.1 | 40% | 0.4 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57 | -40 | 176.3 | -76.8 | 173.9 | 176.2 | -170.8 | -3 | 113.2 | R618 D619 Y620 H789 G790 | R618-R622 WeakPolarHBondContact O-CB 3.42Å; R618-R622 VanDerWaalsContact O-CG 3.28Å; R618-R622 WeakPolarHBondContact O-CG 3.36Å; R618-R622 PolarHBondContact O-N 3.17Å; R618-R622 VanDerWaalsContact O-N 3.07Å; D619-R622 PolarHBondContact O-N 3.12Å; Y620-R622 PolarHBondContact O-N 3.05Å; R622-H789 VanDerWaalsContact CG-O 3.28Å; R622-H789 WeakPolarHBondContact CG-O 3.48Å; R622-G790 PolarHBondContact NE-O 2.75Å; R622-G790 PolarHBondContact NH2-O 3.38Å |
| 623 | Q | 89.5 | Confident | 83.9 | Confident | 139 Ų | 139 | 44.9 Ų | 44.9 | 65% | 0.65 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -73.5 | -35.7 | -177.9 | -177.2 | 179 | 9.8 | 0 | 0 | 112.9 | D619 Y620 V621 P626 | D619-Q623 VanDerWaalsContact O-CB 3.3Å; D619-Q623 WeakPolarHBondContact O-CB 3.47Å; D619-Q623 PolarHBondContact O-N 3.47Å; Y620-Q623 PolarHBondContact O-N 3.25Å; V621-Q623 VanDerWaalsContact C-N 3.27Å; V621-Q623 PolarHBondContact O-N 3.45Å; Q623-P626 VanDerWaalsContact O-CD 3.28Å; Q623-P626 WeakPolarHBondContact O-CD 3.27Å |
| 624 | H | 88.3 | Confident | 81.4 | Confident | 48 Ų | 48 | 45 Ų | 45 | 22% | 0.222 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -105.1 | 0.6 | -173.1 | -60.5 | 78.3 | 0 | 0 | 0 | 113.8 | Y620 V621 P626 L690 | Y620-H624 AromaticContact CD2-CE1 3.44Å; Y620-H624 VanDerWaalsContact CD2-CE1 3.44Å; Y620-H624 WeakPolarHBondContact CD2-CE1 3.45Å; Y620-H624 AromaticContact CD2-ND1 3.45Å; Y620-H624 WeakPolarHBondContact CD2-ND1 3.33Å; Y620-H624 AromaticContact CE2-CE1 3.27Å; Y620-H624 WeakPolarHBondContact CE2-CE1 3.17Å; Y620-H624 AromaticContact CE2-CG 3.91Å; Y620-H624 AromaticContact CE2-ND1 3.41Å; Y620-H624 WeakPolarHBondContact CE2-ND1 3.41Å; Y620-H624 AromaticContact CE2-NE2 3.67Å; Y620-H624 AromaticContact CG-ND1 3.93Å; Y620-H624 AromaticContact CZ-CG 3.98Å; Y620-H624 AromaticContact CZ-ND1 3.89Å; Y620-H624 PolarHBondContact O-N 3.36Å; Y620-H624 PolarHBondContact O-ND1 3.44Å; V621-H624 PolarHBondContact O-N 3.41Å; H624-P626 VanDerWaalsContact C-CD 3.47Å; H624-L690 HydrophobicContact CB-CD1 3.98Å; H624-L690 HydrophobicContact CB-CD2 4.44Å; H624-L690 HydrophobicContact CB-CG 3.8Å; H624-L690 PolarHBondContact O-N 2.8Å |
| 625 | S | 83.6 | Confident | 78.4 | Confident | 14 Ų | 14 | 45.9 Ų | 45.9 | 10% | 0.098 | 26% | 0.255 | C | S | . | . | trans | -75.2 | -23.6 | 171.3 | -65.5 | 0 | 0 | 0 | 0 | 115.6 | V621 G627 F628 H789 | V621-S625 WeakPolarHBondContact CG1-OG 3.45Å; V621-S625 WeakPolarHBondContact O-CB 3.17Å; V621-S625 PolarHBondContact O-N 3.46Å; V621-S625 PolarHBondContact O-OG 3.2Å; S625-G627 PolarHBondContact O-N 3.4Å; S625-G627 VanDerWaalsContact O-N 3.08Å; S625-F628 VanDerWaalsContact O-CB 3.23Å; S625-F628 WeakPolarHBondContact O-CB 3.44Å; S625-F628 PolarHBondContact O-N 3.39Å; S625-H789 WeakPolarHBondContact OG-CB 3.45Å | ||
| 626 | P | 78.5 | Confident | 75.3 | Confident | 102 Ų | 102 | 48.2 Ų | 48.2 | 66% | 0.662 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 114.3 | 168.2 | -23.9 | 35.2 | 0 | 0 | 0 | 109.9 | Q623 H624 | Q623-P626 VanDerWaalsContact O-CD 3.28Å; Q623-P626 WeakPolarHBondContact O-CD 3.27Å; H624-P626 VanDerWaalsContact C-CD 3.47Å |
| 627 | G | 73.5 | Confident | 72.2 | Confident | 58 Ų | 58 | 50.7 Ų | 50.7 | 60% | 0.598 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.9 | 14.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | S625 V629 | S625-G627 PolarHBondContact O-N 3.4Å; S625-G627 VanDerWaalsContact O-N 3.08Å; G627-V629 PolarHBondContact O-N 3.12Å |
| 628 | F | 80.5 | Confident | 68.9 | Low | 30 Ų | 30 | 61.7 Ų | 61.7 | 13% | 0.132 | 32% | 0.321 | C | S | . | . | trans | -50 | 129.5 | 174.6 | 172.7 | -100.4 | 0 | 0 | 0 | 111.5 | S625 N630 L690 C691 L695 H789 H818 | S625-F628 VanDerWaalsContact O-CB 3.23Å; S625-F628 WeakPolarHBondContact O-CB 3.44Å; S625-F628 PolarHBondContact O-N 3.39Å; F628-N630 HydrophobicContact CD1-CB 4.48Å; F628-N630 HydrophobicContact CE1-CB 3.83Å; F628-L690 VanDerWaalsContact CA-O 3.31Å; F628-L690 WeakPolarHBondContact CA-O 2.98Å; F628-L690 HydrophobicContact CD2-CB 3.98Å; F628-L690 WeakPolarHBondContact CD2-O 3.28Å; F628-C691 VanDerWaalsContact CE2-C 3.47Å; F628-L695 HydrophobicContact CD2-CD1 4.38Å; F628-L695 HydrophobicContact CE2-CD1 3.46Å; F628-L695 VanDerWaalsContact CE2-CD1 3.46Å; F628-L695 HydrophobicContact CE2-CG 3.87Å; F628-L695 HydrophobicContact CZ-CD1 3.74Å; F628-L695 HydrophobicContact CZ-CG 4.5Å; F628-H789 AromaticContact CD1-CE1 3.54Å; F628-H789 AromaticContact CD1-NE2 3.74Å; F628-H789 AromaticContact CD2-CE1 3.83Å; F628-H789 AromaticContact CD2-NE2 3.53Å; F628-H789 AromaticContact CE1-NE2 3.98Å; F628-H789 AromaticContact CE2-NE2 3.8Å; F628-H789 AromaticContact CG-CE1 3.33Å; F628-H789 WeakPolarHBondContact CG-CE1 3.38Å; F628-H789 AromaticContact CG-NE2 3.5Å; F628-H818 HydrophobicContact CD1-CB 4.33Å; F628-H818 AromaticContact CD1-ND1 3.9Å; F628-H818 HydrophobicContact CE1-CB 3.87Å; F628-H818 HydrophobicContact CZ-CB 4.41Å | ||
| 629 | V | 73.1 | Confident | 65.6 | Low | 21 Ų | 21 | 65.5 Ų | 65.5 | 13% | 0.127 | 35% | 0.346 | C | S | . | . | B | Isolated β-bridge | trans | -99.7 | 110.4 | 176.1 | 175.9 | 0 | 0 | 0 | 0 | 108.9 | G627 E631 Q669 W676 F689 L690 C691 T692 | G627-V629 PolarHBondContact O-N 3.12Å; V629-E631 HydrophobicContact CG1-CG 4.43Å; V629-E631 PolarHBondContact O-N 3.01Å; V629-Q669 VanDerWaalsContact CG1-OE1 3.22Å; V629-W676 HydrophobicContact CG1-CZ3 3.9Å; V629-W676 HydrophobicContact CG2-CZ3 4.46Å; V629-F689 HydrophobicContact CB-CD2 4.04Å; V629-F689 HydrophobicContact CB-CE2 3.85Å; V629-F689 HydrophobicContact CG2-CD2 3.52Å; V629-F689 HydrophobicContact CG2-CE2 3.36Å; V629-F689 HydrophobicContact CG2-CG 4.38Å; V629-F689 HydrophobicContact CG2-CZ 4.11Å; V629-L690 PolarHBondContact N-O 3.22Å; V629-C691 HydrophobicContact CB-CB 4.32Å; V629-C691 VanDerWaalsContact O-CA 3.25Å; V629-C691 WeakPolarHBondContact O-CA 3Å; V629-T692 PolarHBondContact O-N 2.98Å |
| 630 | N | 74 | Confident | 62.3 | Low | 35 Ų | 35 | 69.1 Ų | 69.1 | 19% | 0.187 | 37% | 0.371 | C | S | . | . | trans | -74.9 | 107.7 | 166.1 | -167.3 | -4.7 | 0 | 0 | 0 | 108.2 | F628 L632 Q669 T692 | F628-N630 HydrophobicContact CD1-CB 4.48Å; F628-N630 HydrophobicContact CE1-CB 3.83Å; N630-L632 VanDerWaalsContact CG-O 3.23Å; N630-L632 PolarHBondContact ND2-O 3.15Å; N630-L632 PolarHBondContact O-N 3.21Å; N630-L632 VanDerWaalsContact O-N 3.08Å; N630-L632 VanDerWaalsContact OD1-CB 3.25Å; N630-L632 WeakPolarHBondContact OD1-CB 3.38Å; N630-L632 PolarHBondContact OD1-N 2.97Å; N630-L632 PolarHBondContact OD1-O 3.32Å; N630-Q669 PolarHBondContact O-NE2 3.27Å; N630-Q669 VanDerWaalsContact O-NE2 3.14Å; N630-Q669 PolarHBondContact O-OE1 3.44Å; N630-T692 WeakPolarHBondContact CA-OG1 3.29Å; N630-T692 PolarHBondContact OD1-OG1 2.86Å | ||
| 631 | E | 70.4 | Confident | 59 | Low | 10 Ų | 10 | 77 Ų | 77 | 5% | 0.047 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -70.3 | -0.8 | 177 | -69.4 | 167.8 | 104.7 | 0 | 0 | 111.4 | V629 Y668 Q669 L680 C691 T692 T693 | V629-E631 HydrophobicContact CG1-CG 4.43Å; V629-E631 PolarHBondContact O-N 3.01Å; E631-Y668 CarbonylContact O-C 3.59Å; E631-Y668 VanDerWaalsContact O-CA 3.29Å; E631-Y668 WeakPolarHBondContact O-CA 3.46Å; E631-Q669 PolarHBondContact O-N 2.96Å; E631-L680 HydrophobicContact CG-CD1 4.34Å; E631-L680 HydrophobicContact CG-CD2 4.13Å; E631-C691 HydrophobicContact CG-CB 4.12Å; E631-C691 WeakPolarHBondContact OE2-CB 2.88Å; E631-C691 PolarHBondContact OE2-SG 3.32Å; E631-T692 PolarHBondContact N-OG1 2.78Å; E631-T692 PolarHBondContact OE2-N 2.97Å; E631-T692 VanDerWaalsContact OE2-N 3.17Å; E631-T693 VanDerWaalsContact CD-OG1 3.25Å; E631-T693 PolarHBondContact OE1-OG1 3.32Å; E631-T693 VanDerWaalsContact OE1-OG1 3.11Å; E631-T693 WeakPolarHBondContact OE2-CB 3.4Å; E631-T693 PolarHBondContact OE2-N 2.81Å; E631-T693 PolarHBondContact OE2-OG1 2.68Å |
| 632 | L | 61.7 | Low | 56.2 | Low | 22 Ų | 22 | 81.4 Ų | 81.4 | 12% | 0.115 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.6 | 173 | -48.6 | 168.9 | 0 | 0 | 0 | 109.5 | N630 H667 Y668 T692 P820 | N630-L632 VanDerWaalsContact CG-O 3.23Å; N630-L632 PolarHBondContact ND2-O 3.15Å; N630-L632 PolarHBondContact O-N 3.21Å; N630-L632 VanDerWaalsContact O-N 3.08Å; N630-L632 VanDerWaalsContact OD1-CB 3.25Å; N630-L632 WeakPolarHBondContact OD1-CB 3.38Å; N630-L632 PolarHBondContact OD1-N 2.97Å; N630-L632 PolarHBondContact OD1-O 3.32Å; L632-H667 CarbonylContact C-O 3.57Å; L632-Y668 HydrophobicContact CD2-CD1 3.43Å; L632-Y668 VanDerWaalsContact CD2-CD1 3.43Å; L632-Y668 HydrophobicContact CD2-CE1 3.25Å; L632-Y668 HydrophobicContact CD2-CG 4.29Å; L632-T692 HydrophobicContact CD1-CG2 4.15Å; L632-T692 HydrophobicContact CG-CG2 4.36Å; L632-P820 HydrophobicContact CD1-CB 3.79Å; L632-P820 HydrophobicContact CD1-CG 3.54Å |
| 633 | V | 49.6 | Very low | 52.9 | Low | 46 Ų | 46 | 81.4 Ų | 81.4 | 28% | 0.279 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 133.7 | 177.9 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | T666 H667 Q669 | V633-T666 CarbonylContact O-C 3.52Å; V633-T666 VanDerWaalsContact O-CA 3.23Å; V633-T666 WeakPolarHBondContact O-CA 3.45Å; V633-H667 PolarHBondContact N-O 3.4Å; V633-H667 PolarHBondContact O-N 2.78Å; V633-Q669 HydrophobicContact CG2-CG 3.29Å |
| 634 | F | 40.8 | Very low | 49.7 | Very low | 55 Ų | 55 | 85 Ų | 85 | 24% | 0.241 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 126.4 | 166 | -68 | -89 | 0 | 0 | 0 | 110.9 | R664 T666 E821 | F634-R664 HydrophobicContact CD1-CB 4.34Å; F634-T666 HydrophobicContact CD1-CG2 3.41Å; F634-T666 VanDerWaalsContact CD1-CG2 3.41Å; F634-T666 HydrophobicContact CD2-CG2 4.33Å; F634-T666 HydrophobicContact CE1-CG2 3.12Å; F634-T666 HydrophobicContact CE2-CG2 4.09Å; F634-T666 HydrophobicContact CG-CG2 4Å; F634-T666 HydrophobicContact CZ-CG2 3.46Å; F634-T666 VanDerWaalsContact CZ-CG2 3.46Å; F634-E821 HydrophobicContact CE1-CB 3.93Å; F634-E821 HydrophobicContact CE2-CB 3.88Å; F634-E821 HydrophobicContact CZ-CB 3.26Å; F634-E821 HydrophobicContact CZ-CG 4.48Å |
| 635 | V | 30.3 | Very low | 46.7 | Very low | 76 Ų | 76 | 89.1 Ų | 89.1 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -95 | 126.5 | 174.8 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | R664 R665 | V635-R664 WeakPolarHBondContact O-CA 3.33Å; V635-R665 PolarHBondContact N-O 2.97Å |
| 636 | T | 29 | Very low | 43.9 | Very low | 81 Ų | 81 | 92.7 Ų | 92.7 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | trans | -107.8 | 123.4 | 173.5 | 37.4 | 0 | 0 | 0 | 0 | 112.4 | R664 | T636-R664 HydrophobicContact CG2-CG 3.89Å; T636-R664 VanDerWaalsContact CG2-NH2 3.34Å | ||
| 637 | P | 29.8 | Very low | 41.3 | Very low | 70 Ų | 70 | 93.7 Ų | 93.7 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | trans | -75.2 | 138.6 | 170.7 | -11.2 | 24.6 | 0 | 0 | 0 | 113.4 | N662 | P637-N662 HydrophobicContact CG-CB 4.03Å; P637-N662 PolarHBondContact O-ND2 2.88Å | ||
| 638 | R | 26.2 | Very low | 39 | Very low | 232 Ų | 232 | 98.8 Ų | 98.8 | 88% | 0.875 | 52% | 0.523 | S | S | * | . | trans | -87.4 | 136.9 | -178.2 | -73.2 | -178.2 | 177 | 178.9 | -0.3 | 113.9 | ||||
| 639 | N | 25.6 | Very low | 36.4 | Very low | 146 Ų | 146 | 103.9 Ų | 103.9 | 78% | 0.781 | 55% | 0.551 | S | S | * | * | trans | 51.5 | 113.9 | 152.4 | -61 | -16.2 | 0 | 0 | 0 | 121.7 | ||||
| 640 | V | 24.2 | Very low | 34 | Very low | 152 Ų | 152 | 109.1 Ų | 109.1 | 92% | 0.921 | 58% | 0.578 | S | S | * | * | trans | -156 | 139.7 | 137.1 | -174.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 641 | H | 25.4 | Very low | 31.5 | Very low | 175 Ų | 175 | 117.3 Ų | 117.3 | 81% | 0.81 | 61% | 0.608 | S | S | * | * | trans | -77.8 | 177 | -176 | -109.4 | -96.9 | 0 | 0 | 0 | 116.4 | ||||
| 642 | P | 33.3 | Very low | 29.3 | Very low | 91 Ų | 91 | 125.7 Ų | 125.7 | 59% | 0.591 | 65% | 0.652 | S | S | * | * | trans | -102.5 | 156.2 | -167.3 | 39 | -31.2 | 0 | 0 | 0 | 115.2 | ||||
| 643 | S | 24 | Very low | 27.6 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 74% | 0.741 | 68% | 0.681 | S | S | * | * | trans | -176 | 139.8 | 146.8 | 34.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 644 | Y | 22.4 | Very low | 26.2 | Very low | 215 Ų | 215 | 134 Ų | 134 | 84% | 0.843 | 71% | 0.706 | S | S | * | * | trans | 62.3 | 103.3 | 147.5 | -86 | -98.2 | 0 | 0 | 0 | 123.3 | ||||
| 645 | D | 24.6 | Very low | 25.3 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | 63.7 | 146.7 | 103 | -138.7 | 3.6 | 0 | 0 | 0 | 123.2 | |||||
| 646 | S | 25.6 | Very low | 25 | Very low | 90 Ų | 90 | 144 Ų | 144 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | trans | 77.8 | 105.8 | 157.1 | 78.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 647 | T | 24.3 | Very low | 24.7 | Very low | 123 Ų | 123 | 146.2 Ų | 146.2 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | 96.2 | 141.2 | 82.2 | 48.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 648 | E | 24.5 | Very low | 24.5 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 77% | 0.771 | 76% | 0.764 | S | S | * | * | trans | 76.1 | 103.1 | 155.3 | -77 | -179.7 | 179.5 | 0 | 0 | 119.5 | ||||
| 649 | N | 25.8 | Very low | 24.6 | Very low | 137 Ų | 137 | 143.2 Ų | 143.2 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | 167.7 | 139 | 91.4 | -89.9 | -39.2 | 0 | 0 | 0 | 112.9 | |||||
| 650 | D | 21.8 | Very low | 24.9 | Very low | 130 Ų | 130 | 143.5 Ų | 143.5 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | trans | -16 | 123.2 | 165.8 | -64.1 | -35.9 | 0 | 0 | 0 | 117.5 | ||||
| 651 | Y | 22.2 | Very low | 25.1 | Very low | 208 Ų | 208 | 138.9 Ų | 138.9 | 82% | 0.816 | 74% | 0.741 | S | S | * | * | S | Bend | 174.4 | 132.1 | 112.1 | -76.4 | -67.9 | 0 | 0 | 0 | 107.3 | T653 | Y651-T653 PolarHBondContact O-N 3.43Å; Y651-T653 PolarHBondContact O-OG1 2.93Å | |
| 652 | L | 24.7 | Very low | 25.2 | Very low | 186 Ų | 186 | 135.4 Ų | 135.4 | 97% | 0.974 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -24.4 | 85.2 | -175 | -68.5 | 161.2 | 0 | 0 | 0 | 116.3 | ||
| 653 | T | 24.7 | Very low | 25.4 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 72% | 0.724 | 73% | 0.73 | S | S | * | * | trans | -146 | 141.9 | 173.8 | 43.1 | 0 | 0 | 0 | 0 | 109.8 | Y651 Y655 | Y651-T653 PolarHBondContact O-N 3.43Å; Y651-T653 PolarHBondContact O-OG1 2.93Å; T653-Y655 PolarHBondContact O-N 2.86Å | ||
| 654 | P | 21.7 | Very low | 25.8 | Very low | 123 Ų | 123 | 138 Ų | 138 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | trans | -62.8 | 114.3 | -178 | -15.9 | 29 | 0 | 0 | 0 | 109.9 | M656 | P654-M656 PolarHBondContact O-N 2.77Š| ||
| 655 | Y | 20.4 | Very low | 26.6 | Very low | 194 Ų | 194 | 134.5 Ų | 134.5 | 76% | 0.761 | 70% | 0.704 | S | S | * | * | trans | -44.5 | 103.3 | 157.7 | -161.2 | -100.3 | 0 | 0 | 0 | 109.1 | T653 L657 | T653-Y655 PolarHBondContact O-N 2.86Å; Y655-L657 HydrophobicContact CD1-CD1 3.61Å; Y655-L657 HydrophobicContact CD1-CG 4.24Å; Y655-L657 HydrophobicContact CE1-CD1 3.43Å; Y655-L657 VanDerWaalsContact CE1-CD1 3.43Å; Y655-L657 HydrophobicContact CE1-CG 3.77Å | ||
| 656 | M | 24 | Very low | 27.2 | Very low | 148 Ų | 148 | 129.7 Ų | 129.7 | 73% | 0.729 | 68% | 0.679 | S | S | * | * | trans | -118.9 | 99.4 | 161.6 | -76.4 | -60.2 | -132.2 | 0 | 0 | 108 | P654 | P654-M656 PolarHBondContact O-N 2.77Š| ||
| 657 | L | 23.8 | Very low | 28 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 67% | 0.67 | 67% | 0.666 | S | S | * | * | trans | -33.5 | 152.7 | 166.1 | -87.2 | 109.9 | 0 | 0 | 0 | 114 | Y655 | Y655-L657 HydrophobicContact CD1-CD1 3.61Å; Y655-L657 HydrophobicContact CD1-CG 4.24Å; Y655-L657 HydrophobicContact CE1-CD1 3.43Å; Y655-L657 VanDerWaalsContact CE1-CD1 3.43Å; Y655-L657 HydrophobicContact CE1-CG 3.77Å | ||
| 658 | G | 25.3 | Very low | 29.2 | Very low | 69 Ų | 69 | 124.9 Ų | 124.9 | 71% | 0.711 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -56.6 | 158.4 | -177 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 659 | K | 27.4 | Very low | 30.4 | Very low | 169 Ų | 169 | 118.5 Ų | 118.5 | 74% | 0.735 | 61% | 0.607 | S | S | * | * | trans | 59.5 | 76.6 | 159.2 | -61.6 | -173.3 | 176.6 | -174.6 | 0 | 115.3 | G661 | K659-G661 PolarHBondContact O-N 3.04Š| ||
| 660 | I | 31.8 | Very low | 31.4 | Very low | 152 Ų | 152 | 115.1 Ų | 115.1 | 78% | 0.779 | 59% | 0.594 | S | S | * | * | trans | -77.5 | 103 | 149.6 | -61.3 | 175.1 | 0 | 0 | 0 | 106.6 | ||||
| 661 | G | 29.9 | Very low | 32.6 | Very low | 56 Ų | 56 | 115 Ų | 115 | 58% | 0.577 | 59% | 0.589 | S | S | * | * | trans | -65.3 | 143 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | K659 L663 | K659-G661 PolarHBondContact O-N 3.04Å; G661-L663 PolarHBondContact O-N 2.9Å | ||
| 662 | N | 28.1 | Very low | 33.9 | Very low | 101 Ų | 101 | 109.6 Ų | 109.6 | 54% | 0.54 | 58% | 0.578 | S | S | . | * | trans | 35.1 | 77.9 | 145.5 | -66.7 | -3.3 | 0 | 0 | 0 | 116.5 | P637 R664 | P637-N662 HydrophobicContact CG-CB 4.03Å; P637-N662 PolarHBondContact O-ND2 2.88Å; N662-R664 PolarHBondContact O-N 3.02Å | ||
| 663 | L | 36.6 | Very low | 35 | Very low | 119 Ų | 119 | 103.3 Ų | 103.3 | 62% | 0.623 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 123.3 | 166.1 | -81.5 | 147.2 | 0 | 0 | 0 | 110.1 | G661 I823 | G661-L663 PolarHBondContact O-N 2.9Å; L663-I823 HydrophobicContact CD2-CD1 4.36Å |
| 664 | R | 32.9 | Very low | 36.4 | Very low | 132 Ų | 132 | 102.6 Ų | 102.6 | 50% | 0.498 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -84.3 | 119.2 | 177.1 | -61.4 | 177.6 | -178.3 | -165.1 | -8.4 | 109.1 | F634 V635 T636 N662 | F634-R664 HydrophobicContact CD1-CB 4.34Å; V635-R664 WeakPolarHBondContact O-CA 3.33Å; T636-R664 HydrophobicContact CG2-CG 3.89Å; T636-R664 VanDerWaalsContact CG2-NH2 3.34Å; N662-R664 PolarHBondContact O-N 3.02Å |
| 665 | R | 37.6 | Very low | 37.8 | Very low | 143 Ų | 143 | 101.2 Ų | 101.2 | 54% | 0.54 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -86.9 | 148.9 | 167.5 | -83.1 | -178.5 | 169.9 | 167.9 | -4.8 | 110.8 | V635 | V635-R665 PolarHBondContact N-O 2.97Š|
| 666 | T | 38.7 | Very low | 39.5 | Very low | 33 Ų | 33 | 96 Ų | 96 | 20% | 0.202 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 130.7 | 172.5 | 51.4 | 0 | 0 | 0 | 0 | 112.5 | V633 F634 | V633-T666 CarbonylContact O-C 3.52Å; V633-T666 VanDerWaalsContact O-CA 3.23Å; V633-T666 WeakPolarHBondContact O-CA 3.45Å; F634-T666 HydrophobicContact CD1-CG2 3.41Å; F634-T666 VanDerWaalsContact CD1-CG2 3.41Å; F634-T666 HydrophobicContact CD2-CG2 4.33Å; F634-T666 HydrophobicContact CE1-CG2 3.12Å; F634-T666 HydrophobicContact CE2-CG2 4.09Å; F634-T666 HydrophobicContact CG-CG2 4Å; F634-T666 HydrophobicContact CZ-CG2 3.46Å; F634-T666 VanDerWaalsContact CZ-CG2 3.46Å |
| 667 | H | 42.6 | Very low | 41.1 | Very low | 78 Ų | 78 | 91.1 Ų | 91.1 | 36% | 0.361 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 153.4 | 173.6 | -78.1 | -77.1 | 0 | 0 | 0 | 111 | L632 V633 E671 V672 | L632-H667 CarbonylContact C-O 3.57Å; V633-H667 PolarHBondContact N-O 3.4Å; V633-H667 PolarHBondContact O-N 2.78Å; H667-E671 IonicContact ND1-OE2 3.34Å; H667-V672 HydrophobicContact CB-CG2 4Å |
| 668 | Y | 48 | Very low | 42.9 | Very low | 33 Ų | 33 | 90.1 Ų | 90.1 | 13% | 0.129 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 136.1 | 171.6 | -64.7 | -86.8 | 0 | 0 | 0 | 109.9 | E631 L632 S670 E671 C880 | E631-Y668 CarbonylContact O-C 3.59Å; E631-Y668 VanDerWaalsContact O-CA 3.29Å; E631-Y668 WeakPolarHBondContact O-CA 3.46Å; L632-Y668 HydrophobicContact CD2-CD1 3.43Å; L632-Y668 VanDerWaalsContact CD2-CD1 3.43Å; L632-Y668 HydrophobicContact CD2-CE1 3.25Å; L632-Y668 HydrophobicContact CD2-CG 4.29Å; Y668-S670 PolarHBondContact O-N 2.71Å; Y668-S670 VanDerWaalsContact O-N 3.15Å; Y668-E671 PolarHBondContact N-OE2 3.34Å; Y668-E671 VanDerWaalsContact O-CB 3.31Å; Y668-E671 WeakPolarHBondContact O-CB 3.42Å; Y668-E671 PolarHBondContact O-N 2.94Å; Y668-C880 HydrophobicContact CD1-CB 4.5Å; Y668-C880 VanDerWaalsContact CE1-CA 3.47Å; Y668-C880 HydrophobicContact CE1-CB 3.89Å |
| 669 | Q | 50.8 | Low | 44.8 | Very low | 32 Ų | 32 | 91 Ų | 91 | 15% | 0.15 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -54.7 | -36.1 | -179.6 | -76.5 | -175.1 | -23.9 | 0 | 0 | 112.9 | V629 N630 E631 V633 E671 V672 D673 | V629-Q669 VanDerWaalsContact CG1-OE1 3.22Å; N630-Q669 PolarHBondContact O-NE2 3.27Å; N630-Q669 VanDerWaalsContact O-NE2 3.14Å; N630-Q669 PolarHBondContact O-OE1 3.44Å; E631-Q669 PolarHBondContact O-N 2.96Å; V633-Q669 HydrophobicContact CG2-CG 3.29Å; Q669-E671 PolarHBondContact O-N 2.78Å; Q669-V672 PolarHBondContact O-N 3.03Å; Q669-D673 PolarHBondContact O-N 3.48Å |
| 670 | S | 46.4 | Very low | 46.7 | Very low | 66 Ų | 66 | 83.4 Ų | 83.4 | 46% | 0.462 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.6 | -21.9 | 176.3 | 57 | 0 | 0 | 0 | 0 | 114.2 | Y668 | Y668-S670 PolarHBondContact O-N 2.71Å; Y668-S670 VanDerWaalsContact O-N 3.15Å |
| 671 | E | 47.3 | Very low | 48.4 | Very low | 127 Ų | 127 | 78.2 Ų | 78.2 | 59% | 0.593 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -80.4 | -22.7 | 173.5 | -62.2 | 173.3 | 166.1 | 0 | 0 | 111.8 | H667 Y668 Q669 | H667-E671 IonicContact ND1-OE2 3.34Å; Y668-E671 PolarHBondContact N-OE2 3.34Å; Y668-E671 VanDerWaalsContact O-CB 3.31Å; Y668-E671 WeakPolarHBondContact O-CB 3.42Å; Y668-E671 PolarHBondContact O-N 2.94Å; Q669-E671 PolarHBondContact O-N 2.78Å |
| 672 | V | 48.7 | Very low | 50.2 | Low | 95 Ų | 95 | 82.9 Ų | 82.9 | 58% | 0.576 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -97.6 | -37.6 | -171.4 | -176 | 0 | 0 | 0 | 0 | 112.2 | H667 Q669 | H667-V672 HydrophobicContact CB-CG2 4Å; Q669-V672 PolarHBondContact O-N 3.03Å |
| 673 | D | 49.1 | Very low | 52.3 | Low | 54 Ų | 54 | 78.3 Ų | 78.3 | 29% | 0.289 | 40% | 0.398 | S | S | . | . | trans | -141.5 | 112.9 | -179.6 | -171.9 | -18 | 0 | 0 | 0 | 111.8 | Q669 T675 W676 | Q669-D673 PolarHBondContact O-N 3.48Å; D673-T675 VanDerWaalsContact C-N 3.28Å; D673-T675 VanDerWaalsContact CG-OG1 3.25Å; D673-T675 PolarHBondContact O-N 2.81Å; D673-T675 WeakPolarHBondContact OD1-CB 3.17Å; D673-T675 PolarHBondContact OD1-N 3.38Å; D673-T675 PolarHBondContact OD1-OG1 3.24Å; D673-T675 PolarHBondContact OD2-OG1 3.41Å; D673-W676 HydrophobicContact CB-CG 4.37Å; D673-W676 VanDerWaalsContact CG-CD1 3.46Å; D673-W676 WeakPolarHBondContact O-CB 3.36Å; D673-W676 PolarHBondContact O-N 3.18Å; D673-W676 VanDerWaalsContact OD2-CD1 3.23Å | ||
| 674 | P | 54 | Low | 53.8 | Low | 103 Ų | 103 | 77.6 Ų | 77.6 | 67% | 0.669 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -28 | 178.1 | -20.4 | 31.4 | 0 | 0 | 0 | 114.2 | W676 A677 | P674-W676 PolarHBondContact O-N 2.87Å; P674-A677 VanDerWaalsContact O-CB 3.23Å; P674-A677 WeakPolarHBondContact O-CB 3.34Å; P674-A677 PolarHBondContact O-N 3.2Å; P674-A677 VanDerWaalsContact O-N 3.07Å |
| 675 | T | 51.1 | Low | 55.6 | Low | 93 Ų | 93 | 78.6 Ų | 78.6 | 57% | 0.571 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68.3 | -24.8 | -177.7 | 65.6 | 0 | 0 | 0 | 0 | 112.3 | D673 A677 D678 | D673-T675 VanDerWaalsContact C-N 3.28Å; D673-T675 VanDerWaalsContact CG-OG1 3.25Å; D673-T675 PolarHBondContact O-N 2.81Å; D673-T675 WeakPolarHBondContact OD1-CB 3.17Å; D673-T675 PolarHBondContact OD1-N 3.38Å; D673-T675 PolarHBondContact OD1-OG1 3.24Å; D673-T675 PolarHBondContact OD2-OG1 3.41Å; T675-A677 VanDerWaalsContact C-N 3.27Å; T675-A677 PolarHBondContact O-N 2.88Å; T675-D678 PolarHBondContact O-N 3.12Å |
| 676 | W | 55.3 | Low | 57.3 | Low | 84 Ų | 84 | 76.1 Ų | 76.1 | 32% | 0.318 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -67.4 | -26.3 | 172.5 | -83.2 | 71.1 | 0 | 0 | 0 | 113.1 | V629 D673 P674 D678 E679 L680 | V629-W676 HydrophobicContact CG1-CZ3 3.9Å; V629-W676 HydrophobicContact CG2-CZ3 4.46Å; D673-W676 HydrophobicContact CB-CG 4.37Å; D673-W676 VanDerWaalsContact CG-CD1 3.46Å; D673-W676 WeakPolarHBondContact O-CB 3.36Å; D673-W676 PolarHBondContact O-N 3.18Å; D673-W676 VanDerWaalsContact OD2-CD1 3.23Å; P674-W676 PolarHBondContact O-N 2.87Å; W676-D678 PolarHBondContact O-N 2.73Å; W676-E679 PolarHBondContact O-N 3.28Å; W676-L680 WeakPolarHBondContact O-CB 3.35Å; W676-L680 WeakPolarHBondContact O-CG 3.36Å; W676-L680 PolarHBondContact O-N 3.49Å |
| 677 | A | 58.2 | Low | 59.3 | Low | 46 Ų | 46 | 76.4 Ų | 76.4 | 38% | 0.38 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61 | -36.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | P674 T675 A681 | P674-A677 VanDerWaalsContact O-CB 3.23Å; P674-A677 WeakPolarHBondContact O-CB 3.34Å; P674-A677 PolarHBondContact O-N 3.2Å; P674-A677 VanDerWaalsContact O-N 3.07Å; T675-A677 VanDerWaalsContact C-N 3.27Å; T675-A677 PolarHBondContact O-N 2.88Å; A677-A681 VanDerWaalsContact O-CB 3.22Å; A677-A681 WeakPolarHBondContact O-CB 3.32Å; A677-A681 PolarHBondContact O-N 2.95Å |
| 678 | D | 62.2 | Low | 60.9 | Low | 108 Ų | 108 | 76.4 Ų | 76.4 | 58% | 0.578 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -70.1 | -40.4 | 177 | -70.6 | -25.8 | 0 | 0 | 0 | 112.2 | T675 W676 A681 R682 | T675-D678 PolarHBondContact O-N 3.12Å; W676-D678 PolarHBondContact O-N 2.73Å; D678-A681 PolarHBondContact O-N 3.19Å; D678-R682 WeakPolarHBondContact O-CG 3.48Å; D678-R682 PolarHBondContact O-N 2.7Å |
| 679 | E | 64.9 | Low | 62.5 | Low | 86 Ų | 86 | 76.4 Ų | 76.4 | 40% | 0.402 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68 | -42.1 | 177.5 | -169 | 166.4 | -167.4 | 0 | 0 | 111.8 | W676 R682 N683 | W676-E679 PolarHBondContact O-N 3.28Å; E679-R682 PolarHBondContact O-N 2.77Å; E679-N683 WeakPolarHBondContact O-CB 3.2Å; E679-N683 PolarHBondContact O-N 3.14Å |
| 680 | L | 66.2 | Low | 64.3 | Low | 11 Ų | 11 | 74.9 Ų | 74.9 | 6% | 0.058 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 170.6 | -76.1 | 167.2 | 0 | 0 | 0 | 111.3 | E631 W676 R682 N683 R684 C691 | E631-L680 HydrophobicContact CG-CD1 4.34Å; E631-L680 HydrophobicContact CG-CD2 4.13Å; W676-L680 WeakPolarHBondContact O-CB 3.35Å; W676-L680 WeakPolarHBondContact O-CG 3.36Å; W676-L680 PolarHBondContact O-N 3.49Å; L680-R682 PolarHBondContact O-N 3.28Å; L680-N683 PolarHBondContact O-N 2.85Å; L680-R684 WeakPolarHBondContact O-CG 3.3Å; L680-R684 PolarHBondContact O-N 2.92Å; L680-C691 HydrophobicContact CD2-CB 4.34Å |
| 681 | A | 67.5 | Low | 66.1 | Low | 43 Ų | 43 | 72.1 Ų | 72.1 | 36% | 0.355 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A677 D678 R684 | A677-A681 VanDerWaalsContact O-CB 3.22Å; A677-A681 WeakPolarHBondContact O-CB 3.32Å; A677-A681 PolarHBondContact O-N 2.95Å; D678-A681 PolarHBondContact O-N 3.19Å; A681-R684 WeakPolarHBondContact O-CB 2.91Å; A681-R684 PolarHBondContact O-N 3.49Å |
| 682 | R | 68.1 | Low | 67.8 | Low | 154 Ų | 154 | 66.2 Ų | 66.2 | 58% | 0.581 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.9 | -45 | 172.2 | -72.8 | -171.6 | -63.4 | -120.8 | 0.7 | 111.6 | D678 E679 L680 R684 I685 T686 | D678-R682 WeakPolarHBondContact O-CG 3.48Å; D678-R682 PolarHBondContact O-N 2.7Å; E679-R682 PolarHBondContact O-N 2.77Å; L680-R682 PolarHBondContact O-N 3.28Å; R682-R684 PolarHBondContact O-N 2.86Å; R682-I685 PolarHBondContact O-N 2.94Å; R682-I685 VanDerWaalsContact O-N 3.09Å; R682-T686 PolarHBondContact O-N 3.23Å; R682-T686 VanDerWaalsContact O-N 3.08Å; R682-T686 PolarHBondContact O-OG1 3.03Å |
| 683 | N | 72.1 | Confident | 69.6 | Low | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.027 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65 | -25 | 179.1 | -170 | 59.7 | 0 | 0 | 0 | 113.3 | E679 L680 I685 T686 K687 S688 F689 | E679-N683 WeakPolarHBondContact O-CB 3.2Å; E679-N683 PolarHBondContact O-N 3.14Å; L680-N683 PolarHBondContact O-N 2.85Å; N683-I685 PolarHBondContact O-N 3.13Å; N683-T686 WeakPolarHBondContact CA-OG1 3.19Å; N683-K687 VanDerWaalsContact O-CA 3.26Å; N683-K687 WeakPolarHBondContact O-CA 3.34Å; N683-K687 PolarHBondContact O-N 3.08Å; N683-S688 PolarHBondContact OD1-N 3.37Å; N683-S688 PolarHBondContact OD1-OG 3.41Å; N683-F689 HydrophobicContact CB-CD1 4.36Å; N683-F689 HydrophobicContact CB-CE1 3.66Å; N683-F689 HydrophobicContact CB-CE2 4.04Å; N683-F689 HydrophobicContact CB-CZ 3.47Å; N683-F689 VanDerWaalsContact CB-CZ 3.47Å; N683-F689 VanDerWaalsContact ND2-CD2 3.34Å; N683-F689 WeakPolarHBondContact ND2-CD2 3.34Å; N683-F689 WeakPolarHBondContact ND2-CE2 3.27Å; N683-F689 PolarHBondContact ND2-O 3.15Å; N683-F689 VanDerWaalsContact OD1-CD1 3.27Å; N683-F689 WeakPolarHBondContact OD1-CD1 3.33Å; N683-F689 WeakPolarHBondContact OD1-CE1 3.49Å; N683-F689 PolarHBondContact OD1-N 3.07Å; N683-F689 PolarHBondContact OD1-O 2.78Å |
| 684 | R | 69 | Low | 71.6 | Confident | 104 Ų | 104 | 59.9 Ų | 59.9 | 39% | 0.392 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.3 | -33.6 | 172.4 | -71.4 | 171.4 | -162.2 | -160.4 | 5.7 | 112.7 | L680 A681 R682 N881 S883 | L680-R684 WeakPolarHBondContact O-CG 3.3Å; L680-R684 PolarHBondContact O-N 2.92Å; A681-R684 WeakPolarHBondContact O-CB 2.91Å; A681-R684 PolarHBondContact O-N 3.49Å; R682-R684 PolarHBondContact O-N 2.86Å; R684-N881 PolarHBondContact NH2-ND2 2.81Å; R684-N881 PolarHBondContact NH2-OD1 2.72Å; R684-S883 PolarHBondContact NH1-OG 2.73Å; R684-S883 PolarHBondContact NH2-OG 2.83Å |
| 685 | I | 69.3 | Low | 73.4 | Confident | 153 Ų | 153 | 55 Ų | 55 | 79% | 0.785 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -86.7 | -45.2 | 179.7 | -55.9 | 173.8 | 0 | 0 | 0 | 110.3 | R682 N683 | R682-I685 PolarHBondContact O-N 2.94Å; R682-I685 VanDerWaalsContact O-N 3.09Å; N683-I685 PolarHBondContact O-N 3.13Å |
| 686 | T | 74.6 | Confident | 75.3 | Confident | 90 Ų | 90 | 50.8 Ų | 50.8 | 55% | 0.552 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -82.5 | -26 | -173.6 | 59 | 0 | 0 | 0 | 0 | 113.7 | R682 N683 S688 | R682-T686 PolarHBondContact O-N 3.23Å; R682-T686 VanDerWaalsContact O-N 3.08Å; R682-T686 PolarHBondContact O-OG1 3.03Å; N683-T686 WeakPolarHBondContact CA-OG1 3.19Å; T686-S688 PolarHBondContact O-N 3.16Å; T686-S688 VanDerWaalsContact O-N 3.12Å; T686-S688 PolarHBondContact OG1-OG 3.22Å |
| 687 | K | 80.3 | Confident | 77.1 | Confident | 39 Ų | 39 | 47.7 Ų | 47.7 | 17% | 0.17 | 25% | 0.252 | C | S | . | . | trans | 46.9 | 38.4 | -172.7 | -64.4 | -74.7 | -169.1 | -168 | 0 | 112.5 | N683 F689 D694 H730 | N683-K687 VanDerWaalsContact O-CA 3.26Å; N683-K687 WeakPolarHBondContact O-CA 3.34Å; N683-K687 PolarHBondContact O-N 3.08Å; K687-F689 VanDerWaalsContact C-N 3.28Å; K687-F689 PolarHBondContact O-N 3.1Å; K687-D694 IonicContact NZ-OD1 2.87Å; K687-D694 PolarHBondContact NZ-OD1 2.61Å; K687-H730 WeakPolarHBondContact CG-NE2 3.41Å | ||
| 688 | S | 76.3 | Confident | 79 | Confident | 78 Ų | 78 | 45.6 Ų | 45.6 | 55% | 0.545 | 24% | 0.235 | S | C | . | . | trans | -66.6 | -27.5 | -178.9 | 35.6 | 0 | 0 | 0 | 0 | 113.5 | N683 T686 | N683-S688 PolarHBondContact OD1-N 3.37Å; N683-S688 PolarHBondContact OD1-OG 3.41Å; T686-S688 PolarHBondContact O-N 3.16Å; T686-S688 VanDerWaalsContact O-N 3.12Å; T686-S688 PolarHBondContact OG1-OG 3.22Å | ||
| 689 | F | 81 | Confident | 80.6 | Confident | 33 Ų | 33 | 40.5 Ų | 40.5 | 15% | 0.145 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -143.7 | 158 | 173.3 | 56.1 | -94.7 | 0 | 0 | 0 | 110.3 | V629 N683 K687 | V629-F689 HydrophobicContact CB-CD2 4.04Å; V629-F689 HydrophobicContact CB-CE2 3.85Å; V629-F689 HydrophobicContact CG2-CD2 3.52Å; V629-F689 HydrophobicContact CG2-CE2 3.36Å; V629-F689 HydrophobicContact CG2-CG 4.38Å; V629-F689 HydrophobicContact CG2-CZ 4.11Å; N683-F689 HydrophobicContact CB-CD1 4.36Å; N683-F689 HydrophobicContact CB-CE1 3.66Å; N683-F689 HydrophobicContact CB-CE2 4.04Å; N683-F689 HydrophobicContact CB-CZ 3.47Å; N683-F689 VanDerWaalsContact CB-CZ 3.47Å; N683-F689 VanDerWaalsContact ND2-CD2 3.34Å; N683-F689 WeakPolarHBondContact ND2-CD2 3.34Å; N683-F689 WeakPolarHBondContact ND2-CE2 3.27Å; N683-F689 PolarHBondContact ND2-O 3.15Å; N683-F689 VanDerWaalsContact OD1-CD1 3.27Å; N683-F689 WeakPolarHBondContact OD1-CD1 3.33Å; N683-F689 WeakPolarHBondContact OD1-CE1 3.49Å; N683-F689 PolarHBondContact OD1-N 3.07Å; N683-F689 PolarHBondContact OD1-O 2.78Å; K687-F689 VanDerWaalsContact C-N 3.28Å; K687-F689 PolarHBondContact O-N 3.1Å |
| 690 | L | 87.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -84.2 | 143 | 173 | -68 | 177.6 | 0 | 0 | 0 | 111.8 | Y620 V621 H624 F628 V629 D694 Y698 | Y620-L690 HydrophobicContact CE1-CD2 3.93Å; V621-L690 HydrophobicContact CB-CD1 4.24Å; V621-L690 HydrophobicContact CG1-CD1 4.11Å; V621-L690 HydrophobicContact CG2-CD1 4.17Å; H624-L690 HydrophobicContact CB-CD1 3.98Å; H624-L690 HydrophobicContact CB-CD2 4.44Å; H624-L690 HydrophobicContact CB-CG 3.8Å; H624-L690 PolarHBondContact O-N 2.8Å; F628-L690 VanDerWaalsContact CA-O 3.31Å; F628-L690 WeakPolarHBondContact CA-O 2.98Å; F628-L690 HydrophobicContact CD2-CB 3.98Å; F628-L690 WeakPolarHBondContact CD2-O 3.28Å; V629-L690 PolarHBondContact N-O 3.22Å; L690-D694 HydrophobicContact CD2-CB 4.06Å; L690-Y698 HydrophobicContact CD2-CE2 4.18Å | ||
| 691 | C | 84.6 | Confident | 83.7 | Confident | 8 Ų | 8 | 37.2 Ų | 37.2 | 5% | 0.054 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -123.1 | 174.4 | 170.7 | 71.8 | 0 | 0 | 0 | 0 | 113 | F628 V629 E631 L680 T693 D694 L695 | F628-C691 VanDerWaalsContact CE2-C 3.47Å; V629-C691 HydrophobicContact CB-CB 4.32Å; V629-C691 VanDerWaalsContact O-CA 3.25Å; V629-C691 WeakPolarHBondContact O-CA 3Å; E631-C691 HydrophobicContact CG-CB 4.12Å; E631-C691 WeakPolarHBondContact OE2-CB 2.88Å; E631-C691 PolarHBondContact OE2-SG 3.32Å; L680-C691 HydrophobicContact CD2-CB 4.34Å; C691-T693 VanDerWaalsContact C-N 3.25Å; C691-T693 PolarHBondContact O-N 3.07Å; C691-D694 PolarHBondContact N-OD2 2.91Å; C691-D694 WeakPolarHBondContact O-CB 3.19Å; C691-D694 PolarHBondContact O-N 2.83Å; C691-D694 PolarHBondContact SG-OD2 3.37Å; C691-D694 VanDerWaalsContact SG-OD2 3.39Å; C691-L695 PolarHBondContact O-N 2.96Å |
| 692 | T | 84.1 | Confident | 85.1 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.018 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.5 | -37.7 | -179.4 | -55.6 | 0 | 0 | 0 | 0 | 112.2 | V629 N630 E631 L632 D694 L695 L696 | V629-T692 PolarHBondContact O-N 2.98Å; N630-T692 WeakPolarHBondContact CA-OG1 3.29Å; N630-T692 PolarHBondContact OD1-OG1 2.86Å; E631-T692 PolarHBondContact N-OG1 2.78Å; E631-T692 PolarHBondContact OE2-N 2.97Å; E631-T692 VanDerWaalsContact OE2-N 3.17Å; L632-T692 HydrophobicContact CD1-CG2 4.15Å; L632-T692 HydrophobicContact CG-CG2 4.36Å; T692-D694 VanDerWaalsContact C-N 3.31Å; T692-D694 PolarHBondContact O-N 3.06Å; T692-L695 PolarHBondContact O-N 2.87Å; T692-L696 HydrophobicContact CG2-CD1 4.12Å; T692-L696 WeakPolarHBondContact O-CB 3.42Å; T692-L696 WeakPolarHBondContact O-CG 3.48Å; T692-L696 PolarHBondContact O-N 3.22Å |
| 693 | T | 86.3 | Confident | 86.6 | Confident | 8 Ų | 8 | 27.8 Ų | 27.8 | 5% | 0.049 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.6 | -40 | 173.8 | -60.5 | 0 | 0 | 0 | 0 | 111.5 | E631 C691 L696 S697 L877 N881 A884 | E631-T693 VanDerWaalsContact CD-OG1 3.25Å; E631-T693 PolarHBondContact OE1-OG1 3.32Å; E631-T693 VanDerWaalsContact OE1-OG1 3.11Å; E631-T693 WeakPolarHBondContact OE2-CB 3.4Å; E631-T693 PolarHBondContact OE2-N 2.81Å; E631-T693 PolarHBondContact OE2-OG1 2.68Å; C691-T693 VanDerWaalsContact C-N 3.25Å; C691-T693 PolarHBondContact O-N 3.07Å; T693-L696 PolarHBondContact O-N 3Å; T693-S697 VanDerWaalsContact O-CB 3.31Å; T693-S697 WeakPolarHBondContact O-CB 3.45Å; T693-S697 PolarHBondContact O-N 3.28Å; T693-L877 HydrophobicContact CG2-CD1 3.75Å; T693-N881 HydrophobicContact CG2-CB 3.82Å; T693-A884 HydrophobicContact CG2-CB 3.61Å |
| 694 | D | 90.4 | Very high | 87.8 | Confident | 8 Ų | 8 | 28.4 Ų | 28.4 | 4% | 0.043 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.7 | -46.1 | 177.4 | -65.1 | -45.8 | 0 | 0 | 0 | 111.5 | K687 L690 C691 T692 L696 S697 Y698 | K687-D694 IonicContact NZ-OD1 2.87Å; K687-D694 PolarHBondContact NZ-OD1 2.61Å; L690-D694 HydrophobicContact CD2-CB 4.06Å; C691-D694 PolarHBondContact N-OD2 2.91Å; C691-D694 WeakPolarHBondContact O-CB 3.19Å; C691-D694 PolarHBondContact O-N 2.83Å; C691-D694 PolarHBondContact SG-OD2 3.37Å; C691-D694 VanDerWaalsContact SG-OD2 3.39Å; T692-D694 VanDerWaalsContact C-N 3.31Å; T692-D694 PolarHBondContact O-N 3.06Å; D694-L696 VanDerWaalsContact C-N 3.33Å; D694-L696 PolarHBondContact O-N 2.84Å; D694-S697 WeakPolarHBondContact O-CB 3.48Å; D694-S697 PolarHBondContact O-N 3.49Å; D694-Y698 HydrophobicContact CB-CE2 4.18Å; D694-Y698 VanDerWaalsContact O-CD2 3.25Å; D694-Y698 WeakPolarHBondContact O-CD2 3.34Å; D694-Y698 VanDerWaalsContact O-CG 3.25Å; D694-Y698 PolarHBondContact O-N 3.29Å |
| 695 | L | 92.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.3 | -40.7 | 178.3 | -59.4 | -170.2 | 0 | 0 | 0 | 111.7 | F628 C691 T692 S699 I786 F787 | F628-L695 HydrophobicContact CD2-CD1 4.38Å; F628-L695 HydrophobicContact CE2-CD1 3.46Å; F628-L695 VanDerWaalsContact CE2-CD1 3.46Å; F628-L695 HydrophobicContact CE2-CG 3.87Å; F628-L695 HydrophobicContact CZ-CD1 3.74Å; F628-L695 HydrophobicContact CZ-CG 4.5Å; C691-L695 PolarHBondContact O-N 2.96Å; T692-L695 PolarHBondContact O-N 2.87Å; L695-S699 WeakPolarHBondContact O-CB 3.36Å; L695-S699 PolarHBondContact O-N 3.12Å; L695-S699 PolarHBondContact O-OG 2.85Å; L695-I786 HydrophobicContact CB-CG2 3.71Å; L695-I786 HydrophobicContact CD1-CG2 4.5Å; L695-I786 HydrophobicContact CD2-CG2 3.81Å; L695-I786 HydrophobicContact CG-CG2 4.18Å; L695-F787 HydrophobicContact CB-CD1 4.41Å; L695-F787 HydrophobicContact CB-CE1 4.01Å; L695-F787 HydrophobicContact CB-CZ 4.24Å; L695-F787 HydrophobicContact CD1-CD1 3.93Å; L695-F787 HydrophobicContact CD1-CE1 4.24Å |
| 696 | L | 91.1 | Very high | 90.6 | Very high | 6 Ų | 6 | 16.2 Ų | 16.2 | 3% | 0.031 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.5 | -40.5 | 174.3 | -74.5 | 170.5 | 0 | 0 | 0 | 112 | T692 T693 D694 S699 Y700 F787 I873 Q876 L877 C880 | T692-L696 HydrophobicContact CG2-CD1 4.12Å; T692-L696 WeakPolarHBondContact O-CB 3.42Å; T692-L696 WeakPolarHBondContact O-CG 3.48Å; T692-L696 PolarHBondContact O-N 3.22Å; T693-L696 PolarHBondContact O-N 3Å; D694-L696 VanDerWaalsContact C-N 3.33Å; D694-L696 PolarHBondContact O-N 2.84Å; L696-S699 WeakPolarHBondContact O-CB 3.25Å; L696-S699 PolarHBondContact O-N 2.69Å; L696-Y700 WeakPolarHBondContact O-CB 3.45Å; L696-Y700 PolarHBondContact O-N 2.75Å; L696-F787 HydrophobicContact CD2-CZ 3.96Å; L696-F787 HydrophobicContact CG-CZ 4.29Å; L696-I873 HydrophobicContact CD2-CG2 4.35Å; L696-I873 WeakPolarHBondContact O-CG2 3.34Å; L696-Q876 HydrophobicContact CD1-CB 4.32Å; L696-Q876 HydrophobicContact CD2-CB 4.07Å; L696-L877 HydrophobicContact CB-CB 4.26Å; L696-L877 HydrophobicContact CB-CD1 3.87Å; L696-L877 HydrophobicContact CB-CG 4.49Å; L696-C880 HydrophobicContact CD1-CB 3.92Å |
| 697 | S | 93.5 | Very high | 91.7 | Very high | 19 Ų | 19 | 13.8 Ų | 13.8 | 13% | 0.133 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -59.5 | -49.8 | 174.2 | 173.7 | 0 | 0 | 0 | 0 | 111.4 | T693 D694 S699 Y700 Q701 L888 | T693-S697 VanDerWaalsContact O-CB 3.31Å; T693-S697 WeakPolarHBondContact O-CB 3.45Å; T693-S697 PolarHBondContact O-N 3.28Å; D694-S697 WeakPolarHBondContact O-CB 3.48Å; D694-S697 PolarHBondContact O-N 3.49Å; S697-S699 VanDerWaalsContact C-N 3.31Å; S697-S699 PolarHBondContact O-N 2.81Å; S697-Y700 WeakPolarHBondContact O-CB 3.5Å; S697-Y700 PolarHBondContact O-N 2.95Å; S697-Q701 VanDerWaalsContact O-CG 3.3Å; S697-Q701 WeakPolarHBondContact O-CG 3.44Å; S697-Q701 PolarHBondContact O-N 2.86Å; S697-Q701 PolarHBondContact OG-NE2 3.04Å; S697-L888 WeakPolarHBondContact OG-CD2 3.31Å |
| 698 | Y | 96.6 | Very high | 92.4 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.008 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 176.6 | -58.7 | -31.5 | 0 | 0 | 0 | 111.9 | L617 Y620 L690 D694 Y700 Q701 V702 L726 H730 V732 | L617-Y698 HydrophobicContact CD1-CD1 4.45Å; L617-Y698 HydrophobicContact CD1-CD2 3.81Å; L617-Y698 HydrophobicContact CD1-CE2 3.95Å; L617-Y698 HydrophobicContact CD1-CG 4.08Å; L617-Y698 HydrophobicContact CD2-CD2 4.49Å; L617-Y698 HydrophobicContact CD2-CG 4.24Å; Y620-Y698 HydrophobicContact CE1-CE2 4.47Å; Y620-Y698 WeakPolarHBondContact CE1-OH 3.42Å; L690-Y698 HydrophobicContact CD2-CE2 4.18Å; D694-Y698 HydrophobicContact CB-CE2 4.18Å; D694-Y698 VanDerWaalsContact O-CD2 3.25Å; D694-Y698 WeakPolarHBondContact O-CD2 3.34Å; D694-Y698 VanDerWaalsContact O-CG 3.25Å; D694-Y698 PolarHBondContact O-N 3.29Å; Y698-Y700 VanDerWaalsContact C-N 3.34Å; Y698-Y700 PolarHBondContact O-N 3.26Å; Y698-Q701 PolarHBondContact O-N 3.49Å; Y698-V702 VanDerWaalsContact O-CG2 3.27Å; Y698-V702 WeakPolarHBondContact O-CG2 3.19Å; Y698-V702 PolarHBondContact O-N 3.18Å; Y698-L726 HydrophobicContact CD1-CD1 4.36Å; Y698-L726 HydrophobicContact CE1-CD1 3.9Å; Y698-H730 HydrophobicContact CE1-CB 4.44Å; Y698-V732 HydrophobicContact CD1-CG2 3.59Å; Y698-V732 HydrophobicContact CE1-CG2 4.44Å; Y698-V732 HydrophobicContact CG-CG2 4.16Å |
| 699 | S | 96.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 9.8 Ų | 9.8 | 1% | 0.007 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -59 | -44.2 | 176.3 | -60.7 | 0 | 0 | 0 | 0 | 112.1 | L695 L696 S697 A703 L783 | L695-S699 WeakPolarHBondContact O-CB 3.36Å; L695-S699 PolarHBondContact O-N 3.12Å; L695-S699 PolarHBondContact O-OG 2.85Å; L696-S699 WeakPolarHBondContact O-CB 3.25Å; L696-S699 PolarHBondContact O-N 2.69Å; S697-S699 VanDerWaalsContact C-N 3.31Å; S697-S699 PolarHBondContact O-N 2.81Å; S699-A703 PolarHBondContact O-N 3.28Å; S699-A703 VanDerWaalsContact O-N 3.12Å; S699-L783 VanDerWaalsContact CB-CD2 3.46Å; S699-L783 WeakPolarHBondContact OG-CD2 3.39Å |
| 700 | Y | 97.1 | Very high | 94 | Very high | 26 Ų | 26 | 9.5 Ų | 9.5 | 10% | 0.102 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.2 | -46.8 | 177.1 | 176 | -93.2 | 0 | 0 | 0 | 111.7 | L696 S697 Y698 V702 A703 N704 R870 A874 F885 L888 L892 | L696-Y700 WeakPolarHBondContact O-CB 3.45Å; L696-Y700 PolarHBondContact O-N 2.75Å; S697-Y700 WeakPolarHBondContact O-CB 3.5Å; S697-Y700 PolarHBondContact O-N 2.95Å; Y698-Y700 VanDerWaalsContact C-N 3.34Å; Y698-Y700 PolarHBondContact O-N 3.26Å; Y700-V702 VanDerWaalsContact C-N 3.35Å; Y700-V702 PolarHBondContact O-N 2.86Å; Y700-A703 PolarHBondContact O-N 3.03Å; Y700-N704 WeakPolarHBondContact O-CB 3.36Å; Y700-N704 PolarHBondContact O-N 3.49Å; Y700-R870 HydrophobicContact CD2-CG 3.67Å; Y700-R870 HydrophobicContact CE2-CG 3.27Å; Y700-A874 HydrophobicContact CD2-CB 4.02Å; Y700-A874 HydrophobicContact CE2-CB 3.79Å; Y700-F885 HydrophobicContact CD2-CE2 4.08Å; Y700-F885 HydrophobicContact CE1-CE2 4.29Å; Y700-F885 AromaticContact CE2-CE2 3.74Å; Y700-F885 HydrophobicContact CE2-CE2 3.74Å; Y700-F885 HydrophobicContact CE2-CZ 4.13Å; Y700-F885 HydrophobicContact CG-CE2 4.49Å; Y700-F885 AromaticContact CZ-CE2 3.86Å; Y700-L888 HydrophobicContact CD1-CD2 3.68Å; Y700-L888 HydrophobicContact CE1-CD2 4.27Å; Y700-L888 HydrophobicContact CG-CD2 4.41Å; Y700-L892 HydrophobicContact CD1-CD1 4.31Å; Y700-L892 HydrophobicContact CE1-CD1 3.73Å |
| 701 | Q | 98.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -62.6 | -39.6 | -179.5 | -72.2 | -173.6 | 67.7 | 0 | 0 | 112.6 | N588 S697 Y698 N704 G705 H730 L731 V732 L888 | N588-Q701 WeakPolarHBondContact CB-O 3.34Å; N588-Q701 WeakPolarHBondContact ND2-CB 3.21Å; N588-Q701 PolarHBondContact ND2-OE1 3.36Å; N588-Q701 VanDerWaalsContact ND2-OE1 3.09Å; S697-Q701 VanDerWaalsContact O-CG 3.3Å; S697-Q701 WeakPolarHBondContact O-CG 3.44Å; S697-Q701 PolarHBondContact O-N 2.86Å; S697-Q701 PolarHBondContact OG-NE2 3.04Å; Y698-Q701 PolarHBondContact O-N 3.49Å; Q701-N704 PolarHBondContact O-N 3.13Å; Q701-G705 PolarHBondContact O-N 3.47Å; Q701-H730 PolarHBondContact NE2-O 3.19Å; Q701-L731 VanDerWaalsContact OE1-CA 3.26Å; Q701-V732 HydrophobicContact CB-CB 3.95Å; Q701-V732 HydrophobicContact CB-CG2 4.09Å; Q701-L888 HydrophobicContact CG-CD1 3.9Å; Q701-L888 HydrophobicContact CG-CD2 4.28Å |
| 702 | V | 98.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.8 | -45.6 | 174.3 | 177.6 | 0 | 0 | 0 | 0 | 110.9 | Y698 Y700 N704 G705 M706 L719 L724 V732 F779 V782 | Y698-V702 VanDerWaalsContact O-CG2 3.27Å; Y698-V702 WeakPolarHBondContact O-CG2 3.19Å; Y698-V702 PolarHBondContact O-N 3.18Å; Y700-V702 VanDerWaalsContact C-N 3.35Å; Y700-V702 PolarHBondContact O-N 2.86Å; V702-N704 VanDerWaalsContact C-N 3.28Å; V702-N704 PolarHBondContact O-N 3.43Å; V702-G705 PolarHBondContact O-N 3.49Å; V702-M706 HydrophobicContact CG1-CG 4.37Å; V702-M706 WeakPolarHBondContact O-CB 3.4Å; V702-M706 WeakPolarHBondContact O-CG 3.49Å; V702-M706 PolarHBondContact O-N 3.49Å; V702-L719 HydrophobicContact CG1-CD1 4.33Å; V702-L724 HydrophobicContact CB-CD1 4.48Å; V702-L724 HydrophobicContact CG1-CD1 4.18Å; V702-L724 HydrophobicContact CG2-CD1 3.4Å; V702-L724 HydrophobicContact CG2-CD2 4.26Å; V702-L724 HydrophobicContact CG2-CG 4.42Å; V702-V732 HydrophobicContact CG2-CG1 3.83Å; V702-F779 HydrophobicContact CB-CE2 4.07Å; V702-F779 HydrophobicContact CG1-CD2 3.73Å; V702-F779 HydrophobicContact CG1-CE2 3.79Å; V702-V782 HydrophobicContact CG1-CG1 4.35Å |
| 703 | A | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.4 | -40.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S699 Y700 M706 D707 F779 C869 R870 I873 | S699-A703 PolarHBondContact O-N 3.28Å; S699-A703 VanDerWaalsContact O-N 3.12Å; Y700-A703 PolarHBondContact O-N 3.03Å; A703-M706 PolarHBondContact O-N 2.86Å; A703-D707 WeakPolarHBondContact O-CB 3.43Å; A703-D707 PolarHBondContact O-N 2.9Å; A703-F779 HydrophobicContact CB-CE2 4.05Å; A703-F779 HydrophobicContact CB-CZ 3.78Å; A703-C869 HydrophobicContact CB-CB 4.4Å; A703-R870 HydrophobicContact CB-CB 3.83Å; A703-I873 HydrophobicContact CB-CD1 4.31Å |
| 704 | N | 98.4 | Very high | 94.9 | Very high | 18 Ų | 18 | 18.6 Ų | 18.6 | 10% | 0.096 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.4 | -46.6 | 177.7 | -168 | 47.8 | 0 | 0 | 0 | 112.7 | N588 Y700 Q701 V702 D707 F708 R870 | N588-N704 PolarHBondContact OD1-ND2 3.44Å; Y700-N704 WeakPolarHBondContact O-CB 3.36Å; Y700-N704 PolarHBondContact O-N 3.49Å; Q701-N704 PolarHBondContact O-N 3.13Å; V702-N704 VanDerWaalsContact C-N 3.28Å; V702-N704 PolarHBondContact O-N 3.43Å; N704-D707 PolarHBondContact O-N 2.9Å; N704-F708 PolarHBondContact O-N 2.95Å; N704-R870 WeakPolarHBondContact OD1-CD 3.43Å; N704-R870 PolarHBondContact OD1-NH1 2.88Å |
| 705 | G | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.5 | -40.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q701 V702 F708 L709 I734 | Q701-G705 PolarHBondContact O-N 3.47Å; V702-G705 PolarHBondContact O-N 3.49Å; G705-F708 WeakPolarHBondContact O-CB 3.31Å; G705-F708 PolarHBondContact O-N 3.09Å; G705-L709 WeakPolarHBondContact O-CG 3.48Å; G705-L709 PolarHBondContact O-N 3.09Å; G705-I734 VanDerWaalsContact C-CD1 3.47Å |
| 706 | M | 98 | Very high | 95 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -70.4 | -32.8 | 178.1 | -72.9 | -54.6 | -61.4 | 0 | 0 | 113.3 | V702 A703 F708 L709 A710 H716 L719 I734 D775 F866 | V702-M706 HydrophobicContact CG1-CG 4.37Å; V702-M706 WeakPolarHBondContact O-CB 3.4Å; V702-M706 WeakPolarHBondContact O-CG 3.49Å; V702-M706 PolarHBondContact O-N 3.49Å; A703-M706 PolarHBondContact O-N 2.86Å; M706-F708 VanDerWaalsContact C-N 3.31Å; M706-L709 PolarHBondContact O-N 3.21Å; M706-L709 HydrophobicContact SD-CD1 3.86Å; M706-A710 VanDerWaalsContact O-CB 3.29Å; M706-A710 WeakPolarHBondContact O-CB 3.4Å; M706-A710 PolarHBondContact O-N 2.96Å; M706-H716 HydrophobicContact CE-CB 3.91Å; M706-H716 HydrophobicContact SD-CB 4.37Å; M706-L719 HydrophobicContact CE-CD2 4.08Å; M706-L719 HydrophobicContact CG-CD1 4.22Å; M706-L719 HydrophobicContact CG-CD2 3.82Å; M706-L719 HydrophobicContact SD-CD1 3.85Å; M706-L719 HydrophobicContact SD-CD2 3.95Å; M706-L719 HydrophobicContact SD-CG 4.42Å; M706-I734 HydrophobicContact CG-CD1 3.8Å; M706-I734 HydrophobicContact SD-CD1 3.89Å; M706-I734 HydrophobicContact SD-CG2 4.32Å; M706-D775 HydrophobicContact CE-CB 3.78Å; M706-F866 HydrophobicContact CB-CB 4.41Å; M706-F866 HydrophobicContact CB-CD1 3.39Å; M706-F866 HydrophobicContact CB-CD2 3.83Å; M706-F866 HydrophobicContact CB-CE1 3.37Å; M706-F866 HydrophobicContact CB-CE2 3.83Å; M706-F866 HydrophobicContact CB-CG 3.62Å; M706-F866 HydrophobicContact CB-CZ 3.61Å; M706-F866 HydrophobicContact CE-CE1 4.48Å; M706-F866 HydrophobicContact CE-CE2 3.81Å; M706-F866 HydrophobicContact CE-CZ 3.67Å; M706-F866 HydrophobicContact CG-CD1 4.26Å; M706-F866 HydrophobicContact CG-CE1 3.77Å; M706-F866 HydrophobicContact CG-CZ 3.92Å |
| 707 | D | 97.7 | Very high | 95 | Very high | 38 Ų | 38 | 19.8 Ų | 19.8 | 20% | 0.203 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.2 | -43.5 | 170.6 | -174.2 | 39.7 | 0 | 0 | 0 | 110.7 | A703 N704 A710 S711 F866 R870 | A703-D707 WeakPolarHBondContact O-CB 3.43Å; A703-D707 PolarHBondContact O-N 2.9Å; N704-D707 PolarHBondContact O-N 2.9Å; D707-A710 PolarHBondContact O-N 3Å; D707-S711 PolarHBondContact O-N 2.73Å; D707-F866 HydrophobicContact CB-CB 3.84Å; D707-R870 IonicContact OD2-CZ 3.64Å; D707-R870 IonicContact OD2-NH1 3.55Å; D707-R870 PolarHBondContact OD2-NH1 3.43Å; D707-R870 IonicContact OD2-NH2 3.72Å; D707-R870 PolarHBondContact OD2-NH2 3.32Å |
| 708 | F | 96.6 | Very high | 94.8 | Very high | 34 Ų | 34 | 19.5 Ų | 19.5 | 15% | 0.149 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.4 | -47.7 | 173.5 | 172.2 | -100.4 | 0 | 0 | 0 | 112.6 | L583 H586 V589 N704 G705 M706 A710 S711 K712 | L583-F708 HydrophobicContact CB-CE1 4.42Å; L583-F708 HydrophobicContact CD2-CE1 4.21Å; L583-F708 WeakPolarHBondContact O-CZ 3.25Å; H586-F708 HydrophobicContact CB-CD1 3.76Å; H586-F708 HydrophobicContact CB-CD2 4.41Å; H586-F708 HydrophobicContact CB-CE1 3.77Å; H586-F708 HydrophobicContact CB-CE2 4.41Å; H586-F708 HydrophobicContact CB-CG 4.07Å; H586-F708 HydrophobicContact CB-CZ 4.1Å; H586-F708 AromaticContact CD2-CD2 3.65Å; H586-F708 AromaticContact CD2-CG 3.48Å; H586-F708 VanDerWaalsContact CD2-CG 3.48Å; H586-F708 WeakPolarHBondContact CD2-CG 3.25Å; H586-F708 AromaticContact CG-CD1 3.82Å; H586-F708 AromaticContact CG-CG 3.73Å; V589-F708 HydrophobicContact CG2-CD1 3.85Å; V589-F708 HydrophobicContact CG2-CE1 4.4Å; N704-F708 PolarHBondContact O-N 2.95Å; G705-F708 WeakPolarHBondContact O-CB 3.31Å; G705-F708 PolarHBondContact O-N 3.09Å; M706-F708 VanDerWaalsContact C-N 3.31Å; F708-A710 VanDerWaalsContact C-N 3.33Å; F708-A710 PolarHBondContact O-N 3.27Å; F708-S711 WeakPolarHBondContact O-CB 3.43Å; F708-S711 PolarHBondContact O-N 3.39Å; F708-S711 VanDerWaalsContact O-N 3.15Å; F708-S711 PolarHBondContact O-OG 3Å; F708-K712 HydrophobicContact CE1-CG 4.48Å; F708-K712 HydrophobicContact CE2-CG 4.43Å; F708-K712 HydrophobicContact CZ-CG 4.25Å; F708-K712 PolarHBondContact O-N 2.9Å |
| 709 | L | 95.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.8 | -41.3 | 178.1 | -62.8 | -174.1 | 0 | 0 | 0 | 112.1 | L583 V589 G705 M706 S711 K712 N713 L714 I734 F737 | L583-L709 HydrophobicContact CD1-CD2 3.73Å; L583-L709 HydrophobicContact CD2-CD2 3.94Å; L583-L709 HydrophobicContact CG-CD2 4.49Å; V589-L709 HydrophobicContact CG1-CD2 4.07Å; V589-L709 HydrophobicContact CG2-CD2 3.96Å; V589-L709 HydrophobicContact CG2-CG 4.24Å; G705-L709 WeakPolarHBondContact O-CG 3.48Å; G705-L709 PolarHBondContact O-N 3.09Å; M706-L709 PolarHBondContact O-N 3.21Å; M706-L709 HydrophobicContact SD-CD1 3.86Å; L709-S711 VanDerWaalsContact C-N 3.31Å; L709-S711 PolarHBondContact O-N 3.32Å; L709-K712 CarbonylContact O-C 3.34Å; L709-K712 PolarHBondContact O-N 3.43Å; L709-N713 PolarHBondContact O-N 3.48Å; L709-L714 HydrophobicContact CB-CB 4.49Å; L709-L714 HydrophobicContact CD1-CD2 4.45Å; L709-L714 HydrophobicContact CD2-CD2 3.93Å; L709-L714 PolarHBondContact O-N 3.05Å; L709-I734 HydrophobicContact CD1-CG2 4.11Å; L709-F737 HydrophobicContact CD1-CE1 3.85Å; L709-F737 HydrophobicContact CD2-CE1 4.31Å |
| 710 | A | 93.6 | Very high | 94.7 | Very high | 26 Ų | 26 | 19.4 Ų | 19.4 | 22% | 0.215 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.3 | -40.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M706 D707 F708 K712 N713 V772 F866 | M706-A710 VanDerWaalsContact O-CB 3.29Å; M706-A710 WeakPolarHBondContact O-CB 3.4Å; M706-A710 PolarHBondContact O-N 2.96Å; D707-A710 PolarHBondContact O-N 3Å; F708-A710 VanDerWaalsContact C-N 3.33Å; F708-A710 PolarHBondContact O-N 3.27Å; A710-K712 PolarHBondContact O-N 2.97Å; A710-N713 PolarHBondContact O-N 2.97Å; A710-V772 HydrophobicContact CB-CG1 3.57Å; A710-V772 HydrophobicContact CB-CG2 4.22Å; A710-F866 HydrophobicContact CB-CD2 4.2Å |
| 711 | S | 92.4 | Very high | 94.6 | Very high | 86 Ų | 86 | 18.1 Ų | 18.1 | 60% | 0.601 | 10% | 0.1 | S | C | * | . | H | α-helix | trans | -62.7 | -24 | 175.6 | 84.7 | 0 | 0 | 0 | 0 | 113.4 | D707 F708 L709 N713 | D707-S711 PolarHBondContact O-N 2.73Å; F708-S711 WeakPolarHBondContact O-CB 3.43Å; F708-S711 PolarHBondContact O-N 3.39Å; F708-S711 VanDerWaalsContact O-N 3.15Å; F708-S711 PolarHBondContact O-OG 3Å; L709-S711 VanDerWaalsContact C-N 3.31Å; L709-S711 PolarHBondContact O-N 3.32Å; S711-N713 VanDerWaalsContact C-N 3.34Å |
| 712 | K | 89.9 | Confident | 94.4 | Very high | 72 Ų | 72 | 20.9 Ų | 20.9 | 31% | 0.313 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 7.5 | 174.7 | -60.2 | -62.7 | -176.3 | 176.1 | 0 | 113.2 | Y582 L583 F708 L709 A710 L714 | Y582-K712 HydrophobicContact CE1-CD 4.4Å; L583-K712 HydrophobicContact CD2-CB 4Å; L583-K712 HydrophobicContact CD2-CG 3.91Å; F708-K712 HydrophobicContact CE1-CG 4.48Å; F708-K712 HydrophobicContact CE2-CG 4.43Å; F708-K712 HydrophobicContact CZ-CG 4.25Å; F708-K712 PolarHBondContact O-N 2.9Å; L709-K712 CarbonylContact O-C 3.34Å; L709-K712 PolarHBondContact O-N 3.43Å; A710-K712 PolarHBondContact O-N 2.97Å; K712-L714 PolarHBondContact O-N 3.39Å |
| 713 | N | 89.5 | Confident | 94.1 | Very high | 52 Ų | 52 | 21.7 Ų | 21.7 | 28% | 0.278 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 32.4 | -172.8 | -157.9 | 29.2 | 0 | 0 | 0 | 112.7 | P500 L502 P503 L504 L709 A710 S711 | P500-N713 PolarHBondContact O-ND2 3.21Å; P500-N713 VanDerWaalsContact O-ND2 3.17Å; L502-N713 VanDerWaalsContact C-ND2 3.25Å; L502-N713 PolarHBondContact O-ND2 3.23Å; P503-N713 CarbonylContact C-O 3.52Å; P503-N713 WeakPolarHBondContact CA-O 3.49Å; L504-N713 PolarHBondContact N-O 3.08Å; L709-N713 PolarHBondContact O-N 3.48Å; A710-N713 PolarHBondContact O-N 2.97Å; S711-N713 VanDerWaalsContact C-N 3.34Å |
| 714 | L | 91.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | trans | -96 | 128 | 175.5 | -176.5 | 73.3 | 0 | 0 | 0 | 109.4 | L504 N505 I579 L583 L709 K712 F737 | L504-L714 HydrophobicContact CB-CB 4.31Å; L504-L714 HydrophobicContact CB-CD1 3.97Å; L504-L714 HydrophobicContact CD2-CB 4.24Å; L504-L714 HydrophobicContact CD2-CD1 3.98Å; L504-L714 HydrophobicContact CG-CD1 4.2Å; N505-L714 VanDerWaalsContact ND2-CD1 3.26Å; N505-L714 WeakPolarHBondContact ND2-CD1 3.32Å; I579-L714 HydrophobicContact CD1-CD1 4.24Å; I579-L714 HydrophobicContact CG2-CD1 4.09Å; I579-L714 HydrophobicContact CG2-CD2 3.89Å; L583-L714 HydrophobicContact CD1-CD2 3.92Å; L583-L714 HydrophobicContact CD2-CD2 4.19Å; L583-L714 HydrophobicContact CG-CD2 4.5Å; L709-L714 HydrophobicContact CB-CB 4.49Å; L709-L714 HydrophobicContact CD1-CD2 4.45Å; L709-L714 HydrophobicContact CD2-CD2 3.93Å; L709-L714 PolarHBondContact O-N 3.05Å; K712-L714 PolarHBondContact O-N 3.39Å; L714-F737 HydrophobicContact CD2-CD1 3.9Å; L714-F737 HydrophobicContact CD2-CE1 4.09Å | ||
| 715 | I | 91.6 | Very high | 94 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.015 | 12% | 0.122 | C | C | . | . | trans | -100.2 | 124.8 | 173.8 | -52.2 | 164.5 | 0 | 0 | 0 | 107.7 | P503 N505 R717 Y770 D775 | P503-I715 HydrophobicContact CB-CD1 3.71Å; P503-I715 HydrophobicContact CB-CG1 4.29Å; P503-I715 HydrophobicContact CG-CD1 3.65Å; N505-I715 PolarHBondContact ND2-O 3.15Å; N505-I715 PolarHBondContact OD1-N 3.31Å; N505-I715 PolarHBondContact OD1-O 3.3Å; I715-R717 HydrophobicContact CB-CG 4.28Å; I715-R717 HydrophobicContact CG2-CG 3.67Å; I715-Y770 VanDerWaalsContact CD1-O 3.28Å; I715-Y770 WeakPolarHBondContact CD1-O 3.45Å; I715-D775 WeakPolarHBondContact CA-OD2 3.29Å; I715-D775 VanDerWaalsContact CG2-OD2 3.31Å; I715-D775 WeakPolarHBondContact CG2-OD2 3.46Å | ||
| 716 | H | 92.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | trans | -72.1 | -41.7 | -177.9 | -167.4 | -53.5 | 0 | 0 | 0 | 112.2 | M706 D718 L719 I734 G735 D775 | M706-H716 HydrophobicContact CE-CB 3.91Å; M706-H716 HydrophobicContact SD-CB 4.37Å; H716-D718 PolarHBondContact CE1-O 3.19Å; H716-D718 VanDerWaalsContact ND1-C 3.33Å; H716-D718 PolarHBondContact ND1-N 2.66Å; H716-D718 PolarHBondContact O-N 3.39Å; H716-L719 HydrophobicContact CB-CB 4.43Å; H716-L719 PolarHBondContact ND1-N 3.13Å; H716-I734 WeakPolarHBondContact CD2-CG2 3.47Å; H716-I734 VanDerWaalsContact NE2-CG2 3.33Å; H716-I734 WeakPolarHBondContact NE2-CG2 3.25Å; H716-G735 PolarHBondContact CE1-O 2.97Å; H716-G735 PolarHBondContact NE2-O 3.38Å; H716-G735 VanDerWaalsContact NE2-O 3.11Å; H716-D775 PolarHBondContact N-OD2 2.86Å | ||
| 717 | R | 90.6 | Very high | 93.7 | Very high | 34 Ų | 34 | 23.8 Ų | 23.8 | 13% | 0.128 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 64.9 | -13.1 | 179.2 | -54.3 | -176.3 | 175.5 | 177.2 | -3.1 | 117.1 | I715 R741 Y770 D775 | I715-R717 HydrophobicContact CB-CG 4.28Å; I715-R717 HydrophobicContact CG2-CG 3.67Å; R717-R741 PolarHBondContact NH1-O 3.3Å; R717-Y770 HydrophobicContact CB-CD1 4.23Å; R717-Y770 HydrophobicContact CG-CD1 3.92Å; R717-Y770 HydrophobicContact CG-CG 4.15Å; R717-D775 PolarHBondContact N-OD1 3.2Å |
| 718 | D | 90.6 | Very high | 93.3 | Very high | 14 Ų | 14 | 28.5 Ų | 28.5 | 8% | 0.075 | 15% | 0.147 | C | C | . | . | trans | -139.4 | 39.8 | 176.8 | -160.1 | 22.4 | 0 | 0 | 0 | 112.3 | H716 A720 R722 N723 L739 P756 | H716-D718 PolarHBondContact CE1-O 3.19Å; H716-D718 VanDerWaalsContact ND1-C 3.33Å; H716-D718 PolarHBondContact ND1-N 2.66Å; H716-D718 PolarHBondContact O-N 3.39Å; D718-A720 PolarHBondContact O-N 3.1Å; D718-A720 VanDerWaalsContact O-N 3.14Å; D718-R722 IonicContact OD1-CZ 3.73Å; D718-R722 IonicContact OD1-NH2 2.73Å; D718-R722 PolarHBondContact OD1-NH2 2.99Å; D718-R722 IonicContact OD2-NH2 3.62Å; D718-N723 VanDerWaalsContact CG-ND2 3.26Å; D718-N723 PolarHBondContact O-ND2 2.94Å; D718-N723 PolarHBondContact OD2-ND2 2.85Å; D718-L739 HydrophobicContact CB-CD1 3.64Å; D718-L739 HydrophobicContact CB-CG 4.25Å; D718-P756 WeakPolarHBondContact OD1-CB 2.97Å; D718-P756 WeakPolarHBondContact OD1-CG 3.47Å | ||
| 719 | L | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -68.5 | 112.6 | 176.2 | -178.5 | 66.3 | 0 | 0 | 0 | 109.3 | V702 M706 H716 L724 S778 F779 V782 F866 | V702-L719 HydrophobicContact CG1-CD1 4.33Å; M706-L719 HydrophobicContact CE-CD2 4.08Å; M706-L719 HydrophobicContact CG-CD1 4.22Å; M706-L719 HydrophobicContact CG-CD2 3.82Å; M706-L719 HydrophobicContact SD-CD1 3.85Å; M706-L719 HydrophobicContact SD-CD2 3.95Å; M706-L719 HydrophobicContact SD-CG 4.42Å; H716-L719 HydrophobicContact CB-CB 4.43Å; H716-L719 PolarHBondContact ND1-N 3.13Å; L719-L724 HydrophobicContact CD1-CD2 4.09Å; L719-S778 WeakPolarHBondContact O-CB 3.42Å; L719-F779 HydrophobicContact CD2-CB 3.73Å; L719-F779 HydrophobicContact CD2-CD2 4.43Å; L719-V782 HydrophobicContact CG-CG2 4Å; L719-F866 HydrophobicContact CD2-CZ 4.48Å | ||
| 720 | A | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -156.6 | 156.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | D718 R722 N723 W759 | D718-A720 PolarHBondContact O-N 3.1Å; D718-A720 VanDerWaalsContact O-N 3.14Å; A720-R722 HydrophobicContact CB-CG 3.99Å; A720-R722 VanDerWaalsContact CB-CZ 3.49Å; A720-R722 VanDerWaalsContact CB-NH1 3.35Å; A720-R722 PolarHBondContact O-N 3.11Å; A720-N723 PolarHBondContact O-N 3.23Å; A720-W759 HydrophobicContact CB-CD2 4.4Å; A720-W759 HydrophobicContact CB-CG 4.16Å | ||
| 721 | L | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -60.4 | -24.3 | -174.9 | -157.3 | 67.7 | 0 | 0 | 0 | 114.1 | L617 R618 N723 L724 V782 E785 I786 | L617-L721 HydrophobicContact CB-CD1 4.12Å; L617-L721 HydrophobicContact CB-CG 4.31Å; L617-L721 HydrophobicContact CD2-CD1 3.59Å; L617-L721 HydrophobicContact CG-CD1 3.77Å; L617-L721 HydrophobicContact CG-CG 4.3Å; R618-L721 HydrophobicContact CB-CB 4Å; R618-L721 HydrophobicContact CB-CD2 3.99Å; R618-L721 HydrophobicContact CB-CG 3.9Å; R618-L721 HydrophobicContact CG-CD2 4.31Å; R618-L721 PolarHBondContact N-O 3.41Å; L721-N723 VanDerWaalsContact C-N 3.33Å; L721-L724 HydrophobicContact CD1-CD1 4.03Å; L721-V782 HydrophobicContact CD1-CG1 4.22Å; L721-E785 HydrophobicContact CB-CB 3.97Å; L721-E785 HydrophobicContact CB-CG 4.47Å; L721-E785 HydrophobicContact CD2-CB 3.81Å; L721-E785 HydrophobicContact CG-CB 4.4Å; L721-E785 PolarHBondContact N-OE2 3.42Å; L721-E785 VanDerWaalsContact N-OE2 3.08Å; L721-I786 HydrophobicContact CD1-CD1 4.2Å; L721-I786 HydrophobicContact CD1-CG1 3.5Å |
| 722 | R | 93 | Very high | 93.1 | Very high | 59 Ų | 59 | 29.7 Ų | 29.7 | 22% | 0.223 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -70.5 | -22.3 | 174.5 | 62.3 | 173.5 | 176.4 | -78.6 | -6.2 | 114.6 | C616 D718 A720 W759 | C616-R722 WeakPolarHBondContact CB-O 3.2Å; D718-R722 IonicContact OD1-CZ 3.73Å; D718-R722 IonicContact OD1-NH2 2.73Å; D718-R722 PolarHBondContact OD1-NH2 2.99Å; D718-R722 IonicContact OD2-NH2 3.62Å; A720-R722 HydrophobicContact CB-CG 3.99Å; A720-R722 VanDerWaalsContact CB-CZ 3.49Å; A720-R722 VanDerWaalsContact CB-NH1 3.35Å; A720-R722 PolarHBondContact O-N 3.11Å; R722-W759 VanDerWaalsContact NH1-CZ2 3.32Å |
| 723 | N | 93.3 | Very high | 93.5 | Very high | 17 Ų | 17 | 26.5 Ų | 26.5 | 9% | 0.091 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -102 | 3.4 | -178.1 | -67.5 | -14.2 | 0 | 0 | 0 | 111.9 | D718 A720 L721 G735 D736 | D718-N723 VanDerWaalsContact CG-ND2 3.26Å; D718-N723 PolarHBondContact O-ND2 2.94Å; D718-N723 PolarHBondContact OD2-ND2 2.85Å; A720-N723 PolarHBondContact O-N 3.23Å; L721-N723 VanDerWaalsContact C-N 3.33Å; N723-G735 PolarHBondContact O-N 2.88Å; N723-D736 HydrophobicContact CB-CB 4.35Å |
| 724 | L | 97.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 122.7 | 172.5 | -59.2 | -180 | 0 | 0 | 0 | 108 | C616 L617 V702 L719 L721 V732 I734 V782 | C616-L724 CarbonylContact C-O 3.36Å; C616-L724 VanDerWaalsContact CA-O 3.28Å; C616-L724 WeakPolarHBondContact CA-O 3.23Å; L617-L724 HydrophobicContact CB-CB 4.01Å; L617-L724 HydrophobicContact CD2-CB 4.38Å; L617-L724 HydrophobicContact CD2-CD1 4.3Å; L617-L724 PolarHBondContact N-O 3.27Å; V702-L724 HydrophobicContact CB-CD1 4.48Å; V702-L724 HydrophobicContact CG1-CD1 4.18Å; V702-L724 HydrophobicContact CG2-CD1 3.4Å; V702-L724 HydrophobicContact CG2-CD2 4.26Å; V702-L724 HydrophobicContact CG2-CG 4.42Å; L719-L724 HydrophobicContact CD1-CD2 4.09Å; L721-L724 HydrophobicContact CD1-CD1 4.03Å; L724-V732 HydrophobicContact CB-CG1 4.07Å; L724-V732 HydrophobicContact CD2-CG1 4.43Å; L724-I734 HydrophobicContact CD2-CB 4.16Å; L724-I734 HydrophobicContact CD2-CG1 3.64Å; L724-I734 HydrophobicContact CD2-CG2 4.29Å; L724-V782 HydrophobicContact CD1-CG1 3.78Å |
| 725 | L | 97.1 | Very high | 93.8 | Very high | 47 Ų | 47 | 24 Ų | 24 | 25% | 0.246 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 156.4 | 179 | -58.7 | 177.5 | 0 | 0 | 0 | 110.7 | L590 C612 G615 C616 V732 K733 | L590-L725 HydrophobicContact CD1-CD1 4.02Å; L590-L725 HydrophobicContact CD2-CD1 4.06Å; C612-L725 HydrophobicContact CB-CB 3.59Å; C612-L725 HydrophobicContact CB-CD1 4.32Å; C612-L725 HydrophobicContact CB-CG 4.48Å; C612-L725 VanDerWaalsContact SG-CB 3.54Å; G615-L725 CarbonylContact O-C 3.54Å; G615-L725 WeakPolarHBondContact O-CA 3.31Å; C616-L725 HydrophobicContact CB-CD2 4.07Å; L725-V732 CarbonylContact O-C 3.58Å; L725-V732 WeakPolarHBondContact O-CA 3.19Å; L725-K733 HydrophobicContact CB-CB 4.33Å; L725-K733 PolarHBondContact N-O 3.38Å; L725-K733 PolarHBondContact O-N 3.08Å |
| 726 | L | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 127.8 | -176.8 | -167 | 71.7 | 0 | 0 | 0 | 111.3 | C612 L614 G615 L617 Y620 Y698 H730 V732 | C612-L726 CarbonylContact C-O 3.56Å; C612-L726 WeakPolarHBondContact CB-O 3.22Å; L614-L726 HydrophobicContact CB-CB 3.97Å; L614-L726 HydrophobicContact CB-CD2 4.02Å; L614-L726 HydrophobicContact CB-CG 4.14Å; L614-L726 WeakPolarHBondContact CB-O 3.45Å; L614-L726 HydrophobicContact CD1-CD2 3.64Å; L614-L726 HydrophobicContact CD1-CG 3.97Å; L614-L726 HydrophobicContact CG-CD2 4.48Å; L614-L726 PolarHBondContact N-O 3.11Å; L614-L726 VanDerWaalsContact N-O 3.11Å; G615-L726 PolarHBondContact O-N 2.97Å; L617-L726 HydrophobicContact CD1-CD1 4.44Å; L617-L726 HydrophobicContact CD1-CD2 4.3Å; Y620-L726 HydrophobicContact CD1-CD2 3.47Å; Y620-L726 VanDerWaalsContact CD1-CD2 3.47Å; Y620-L726 HydrophobicContact CD2-CD2 4.03Å; Y620-L726 HydrophobicContact CE1-CD2 3.6Å; Y620-L726 HydrophobicContact CE2-CD2 4.18Å; Y620-L726 HydrophobicContact CG-CD2 3.7Å; Y698-L726 HydrophobicContact CD1-CD1 4.36Å; Y698-L726 HydrophobicContact CE1-CD1 3.9Å; L726-H730 HydrophobicContact CD1-CB 4.46Å; L726-V732 HydrophobicContact CD1-CG2 3.92Å |
| 727 | T | 93.5 | Very high | 92.5 | Very high | 16 Ų | 16 | 26.5 Ų | 26.5 | 10% | 0.098 | 13% | 0.13 | C | C | . | . | trans | -80.9 | 167.6 | 175.8 | 71.5 | 0 | 0 | 0 | 0 | 111.6 | L614 N729 H730 L731 K733 | L614-T727 WeakPolarHBondContact CD1-O 3.36Å; T727-N729 PolarHBondContact O-N 2.56Å; T727-N729 PolarHBondContact OG1-N 3.34Å; T727-H730 PolarHBondContact O-N 2.89Å; T727-L731 HydrophobicContact CG2-CB 4.28Å; T727-L731 PolarHBondContact N-O 3.22Å; T727-L731 WeakPolarHBondContact OG1-CB 3.12Å; T727-L731 PolarHBondContact OG1-N 3.32Å; T727-L731 VanDerWaalsContact OG1-N 3.13Å; T727-K733 HydrophobicContact CG2-CG 3.9Å | ||
| 728 | E | 89.5 | Confident | 90.9 | Very high | 137 Ų | 137 | 25.5 Ų | 25.5 | 64% | 0.64 | 13% | 0.13 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -29.2 | 172.6 | 57.2 | -167.9 | -178.4 | 0 | 0 | 113.6 | S613 H730 | S613-E728 WeakPolarHBondContact OG-CB 3.37Å; S613-E728 PolarHBondContact OG-N 3.07Å; E728-H730 PolarHBondContact O-CD2 3.28Å; E728-H730 PolarHBondContact O-N 3.3Å |
| 729 | N | 88.9 | Confident | 89.1 | Confident | 113 Ų | 113 | 27.8 Ų | 27.8 | 60% | 0.604 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 16.7 | 176.2 | -61.6 | -15.3 | 0 | 0 | 0 | 112.4 | T727 L731 | T727-N729 PolarHBondContact O-N 2.56Å; T727-N729 PolarHBondContact OG1-N 3.34Å; N729-L731 PolarHBondContact O-N 2.97Å; N729-L731 VanDerWaalsContact O-N 3.16Å |
| 730 | H | 91.6 | Very high | 86.9 | Confident | 40 Ų | 40 | 28 Ų | 28 | 19% | 0.185 | 14% | 0.143 | C | C | . | . | trans | 57.4 | 28 | -179.3 | -57.6 | -90.7 | 0 | 0 | 0 | 114.6 | Y620 K687 Y698 Q701 L726 T727 E728 | Y620-H730 AromaticContact CZ-CE1 3.95Å; Y620-H730 PolarHBondContact OH-CE1 2.89Å; K687-H730 WeakPolarHBondContact CG-NE2 3.41Å; Y698-H730 HydrophobicContact CE1-CB 4.44Å; Q701-H730 PolarHBondContact NE2-O 3.19Å; L726-H730 HydrophobicContact CD1-CB 4.46Å; T727-H730 PolarHBondContact O-N 2.89Å; E728-H730 PolarHBondContact O-CD2 3.28Å; E728-H730 PolarHBondContact O-N 3.3Å | ||
| 731 | L | 95 | Very high | 84.7 | Confident | 17 Ų | 17 | 32.1 Ų | 32.1 | 9% | 0.089 | 16% | 0.159 | C | C | . | . | trans | -83.1 | 126.7 | 170.4 | -63.6 | 179.4 | 0 | 0 | 0 | 110.2 | Q701 T727 N729 D891 L892 A895 | Q701-L731 VanDerWaalsContact OE1-CA 3.26Å; T727-L731 HydrophobicContact CG2-CB 4.28Å; T727-L731 PolarHBondContact N-O 3.22Å; T727-L731 WeakPolarHBondContact OG1-CB 3.12Å; T727-L731 PolarHBondContact OG1-N 3.32Å; T727-L731 VanDerWaalsContact OG1-N 3.13Å; N729-L731 PolarHBondContact O-N 2.97Å; N729-L731 VanDerWaalsContact O-N 3.16Å; L731-D891 HydrophobicContact CD2-CB 4.48Å; L731-L892 HydrophobicContact CD2-CD2 3.86Å; L731-A895 HydrophobicContact CD1-CB 4.3Å | ||
| 732 | V | 98 | Very high | 82 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 128.5 | 176.3 | -176.8 | 0 | 0 | 0 | 0 | 109.4 | N588 L617 Y698 Q701 V702 L724 L725 L726 | N588-V732 CarbonylContact C-O 3.22Å; N588-V732 WeakPolarHBondContact CA-O 3.5Å; N588-V732 WeakPolarHBondContact CB-O 3.4Å; N588-V732 PolarHBondContact ND2-O 2.84Å; N588-V732 VanDerWaalsContact ND2-O 3.09Å; L617-V732 HydrophobicContact CD2-CG1 4.34Å; L617-V732 HydrophobicContact CD2-CG2 4.19Å; Y698-V732 HydrophobicContact CD1-CG2 3.59Å; Y698-V732 HydrophobicContact CE1-CG2 4.44Å; Y698-V732 HydrophobicContact CG-CG2 4.16Å; Q701-V732 HydrophobicContact CB-CB 3.95Å; Q701-V732 HydrophobicContact CB-CG2 4.09Å; V702-V732 HydrophobicContact CG2-CG1 3.83Å; L724-V732 HydrophobicContact CB-CG1 4.07Å; L724-V732 HydrophobicContact CD2-CG1 4.43Å; L725-V732 CarbonylContact O-C 3.58Å; L725-V732 WeakPolarHBondContact O-CA 3.19Å; L726-V732 HydrophobicContact CD1-CG2 3.92Å |
| 733 | K | 97 | Very high | 79.4 | Confident | 5 Ų | 5 | 38 Ų | 38 | 2% | 0.022 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 115.1 | 179 | -60.2 | -66.4 | -174.6 | 151.2 | 0 | 110.1 | P587 L590 E610 L725 T727 G735 | P587-K733 WeakPolarHBondContact O-CD 3.47Å; P587-K733 WeakPolarHBondContact O-CE 3.35Å; P587-K733 PolarHBondContact O-NZ 3.32Å; L590-K733 HydrophobicContact CB-CB 4.38Å; L590-K733 HydrophobicContact CD1-CB 4.17Å; E610-K733 WeakPolarHBondContact OE1-CD 3.28Å; E610-K733 WeakPolarHBondContact OE1-CE 3.48Å; E610-K733 IonicContact OE1-NZ 2.68Å; E610-K733 PolarHBondContact OE1-NZ 2.86Å; E610-K733 WeakPolarHBondContact OE2-CE 3.44Å; E610-K733 IonicContact OE2-NZ 2.76Å; E610-K733 PolarHBondContact OE2-NZ 2.02Å; L725-K733 HydrophobicContact CB-CB 4.33Å; L725-K733 PolarHBondContact N-O 3.38Å; L725-K733 PolarHBondContact O-N 3.08Å; T727-K733 HydrophobicContact CG2-CG 3.9Å; K733-G735 PolarHBondContact O-N 2.71Å |
| 734 | I | 97.5 | Very high | 76.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 121.8 | 174.7 | -58.4 | 168.5 | 0 | 0 | 0 | 109 | N588 L590 G705 M706 L709 H716 L724 | N588-I734 WeakPolarHBondContact O-CG1 3.47Å; N588-I734 PolarHBondContact O-N 2.85Å; L590-I734 VanDerWaalsContact CB-O 3.31Å; L590-I734 WeakPolarHBondContact CB-O 3.4Å; L590-I734 PolarHBondContact N-O 2.9Å; G705-I734 VanDerWaalsContact C-CD1 3.47Å; M706-I734 HydrophobicContact CG-CD1 3.8Å; M706-I734 HydrophobicContact SD-CD1 3.89Å; M706-I734 HydrophobicContact SD-CG2 4.32Å; L709-I734 HydrophobicContact CD1-CG2 4.11Å; H716-I734 WeakPolarHBondContact CD2-CG2 3.47Å; H716-I734 VanDerWaalsContact NE2-CG2 3.33Å; H716-I734 WeakPolarHBondContact NE2-CG2 3.25Å; L724-I734 HydrophobicContact CD2-CB 4.16Å; L724-I734 HydrophobicContact CD2-CG1 3.64Å; L724-I734 HydrophobicContact CD2-CG2 4.29Å |
| 735 | G | 91.1 | Very high | 73.2 | Confident | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | trans | -132.1 | -176.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | H716 N723 K733 | H716-G735 PolarHBondContact CE1-O 2.97Å; H716-G735 PolarHBondContact NE2-O 3.38Å; H716-G735 VanDerWaalsContact NE2-O 3.11Å; N723-G735 PolarHBondContact O-N 2.88Å; K733-G735 PolarHBondContact O-N 2.71Å | ||
| 736 | D | 82.4 | Confident | 69.8 | Low | 55 Ų | 55 | 56.7 Ų | 56.7 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | trans | 62 | 67.2 | -179.6 | -153.6 | 12 | 0 | 0 | 0 | 115.3 | K559 N723 G738 | K559-D736 IonicContact NZ-OD1 2.62Å; K559-D736 PolarHBondContact NZ-OD1 3.34Å; N723-D736 HydrophobicContact CB-CB 4.35Å; D736-G738 PolarHBondContact O-N 2.99Å; D736-G738 VanDerWaalsContact O-N 3.07Å | ||
| 737 | F | 74.9 | Confident | 66.3 | Low | 1 Ų | 1 | 63.7 Ų | 63.7 | 0% | 0.004 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -75.2 | 19.5 | 169.1 | -43.6 | -69.4 | 0 | 0 | 0 | 112.8 | E576 I579 M580 L583 V589 L709 L714 L739 T740 | E576-F737 HydrophobicContact CG-CB 4.42Å; E576-F737 HydrophobicContact CG-CD2 4.42Å; I579-F737 HydrophobicContact CD1-CB 4.48Å; I579-F737 HydrophobicContact CG2-CB 4.48Å; I579-F737 HydrophobicContact CG2-CD2 4.29Å; I579-F737 HydrophobicContact CG2-CG 4.27Å; M580-F737 HydrophobicContact CG-CD2 3.89Å; M580-F737 HydrophobicContact CG-CE2 3.82Å; M580-F737 HydrophobicContact SD-CD2 4.49Å; M580-F737 HydrophobicContact SD-CE2 4.43Å; L583-F737 HydrophobicContact CD1-CE1 4.29Å; L583-F737 HydrophobicContact CD1-CE2 4.13Å; L583-F737 HydrophobicContact CD1-CZ 3.87Å; V589-F737 HydrophobicContact CG1-CZ 3.71Å; L709-F737 HydrophobicContact CD1-CE1 3.85Å; L709-F737 HydrophobicContact CD2-CE1 4.31Å; L714-F737 HydrophobicContact CD2-CD1 3.9Å; L714-F737 HydrophobicContact CD2-CE1 4.09Å; F737-L739 PolarHBondContact O-N 2.95Å; F737-T740 HydrophobicContact CB-CG2 4.34Å; F737-T740 VanDerWaalsContact O-CB 3.32Å; F737-T740 WeakPolarHBondContact O-CB 3.04Å; F737-T740 WeakPolarHBondContact O-CG2 3.45Å; F737-T740 PolarHBondContact O-OG1 2.92Å |
| 738 | G | 56.7 | Low | 63.6 | Low | 13 Ų | 13 | 70.3 Ų | 70.3 | 13% | 0.134 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -74.1 | -22.7 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116 | D736 T740 | D736-G738 PolarHBondContact O-N 2.99Å; D736-G738 VanDerWaalsContact O-N 3.07Å; G738-T740 PolarHBondContact O-N 3.49Å |
| 739 | L | 51.8 | Low | 60.9 | Low | 62 Ų | 62 | 73.2 Ų | 73.2 | 33% | 0.325 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -81.3 | 13.6 | 178.5 | -64.4 | -171.4 | 0 | 0 | 0 | 113.7 | D718 F737 R741 | D718-L739 HydrophobicContact CB-CD1 3.64Å; D718-L739 HydrophobicContact CB-CG 4.25Å; F737-L739 PolarHBondContact O-N 2.95Å; L739-R741 VanDerWaalsContact C-N 3.28Å; L739-R741 PolarHBondContact O-N 3.5Å |
| 740 | T | 49.9 | Very low | 58.2 | Low | 4 Ų | 4 | 77 Ų | 77 | 3% | 0.025 | 36% | 0.359 | C | S | . | . | trans | -88.1 | 54.5 | -173.9 | 61.5 | 0 | 0 | 0 | 0 | 112.1 | N505 I579 F737 G738 | N505-T740 VanDerWaalsContact ND2-CB 3.25Å; N505-T740 WeakPolarHBondContact ND2-CB 3.27Å; N505-T740 WeakPolarHBondContact ND2-CG2 3.34Å; I579-T740 WeakPolarHBondContact CD1-OG1 3.23Å; F737-T740 HydrophobicContact CB-CG2 4.34Å; F737-T740 VanDerWaalsContact O-CB 3.32Å; F737-T740 WeakPolarHBondContact O-CB 3.04Å; F737-T740 WeakPolarHBondContact O-CG2 3.45Å; F737-T740 PolarHBondContact O-OG1 2.92Å; G738-T740 PolarHBondContact O-N 3.49Å | ||
| 741 | R | 48.5 | Very low | 55.7 | Low | 87 Ų | 87 | 80.2 Ų | 80.2 | 33% | 0.328 | 38% | 0.376 | S | S | . | . | trans | -82.8 | 147.7 | 177.4 | -69.4 | -167.2 | 177.5 | -166.3 | -2.8 | 113.1 | R717 L739 D743 | R717-R741 PolarHBondContact NH1-O 3.3Å; L739-R741 VanDerWaalsContact C-N 3.28Å; L739-R741 PolarHBondContact O-N 3.5Å; R741-D743 WeakPolarHBondContact CD-OD2 3Å; R741-D743 IonicContact NH1-OD2 2.77Å; R741-D743 PolarHBondContact NH1-OD2 3.07Å | ||
| 742 | Q | 39.3 | Very low | 53.1 | Low | 86 Ų | 86 | 86.7 Ų | 86.7 | 40% | 0.402 | 41% | 0.411 | S | S | . | . | trans | -101.5 | 65.6 | 165 | -168.9 | -173.3 | 16 | 0 | 0 | 109 | E506 N744 | E506-Q742 VanDerWaalsContact O-CD 3.26Å; E506-Q742 PolarHBondContact O-NE2 3.04Å; E506-Q742 PolarHBondContact O-OE1 2.55Å; Q742-N744 PolarHBondContact O-N 2.76Å | ||
| 743 | D | 38.3 | Very low | 50.9 | Low | 97 Ų | 97 | 88.1 Ų | 88.1 | 52% | 0.519 | 42% | 0.42 | S | S | . | . | trans | -91.3 | 90.1 | 175.8 | -78.4 | -34.5 | 0 | 0 | 0 | 109.8 | R741 K745 | R741-D743 WeakPolarHBondContact CD-OD2 3Å; R741-D743 IonicContact NH1-OD2 2.77Å; R741-D743 PolarHBondContact NH1-OD2 3.07Å; D743-K745 PolarHBondContact O-N 2.83Å; D743-K745 VanDerWaalsContact O-N 3.12Å | ||
| 744 | N | 32.7 | Very low | 49.3 | Very low | 100 Ų | 100 | 93.2 Ų | 93.2 | 54% | 0.535 | 45% | 0.454 | S | S | . | . | trans | -68.6 | 7.5 | 167.6 | -91.6 | -24.9 | 0 | 0 | 0 | 113.4 | E396 Q742 Y746 | E396-N744 VanDerWaalsContact OE1-O 3.12Å; Q742-N744 PolarHBondContact O-N 2.76Å; N744-Y746 WeakPolarHBondContact O-CD2 3.46Å; N744-Y746 PolarHBondContact O-N 3.45Å | ||
| 745 | K | 26.6 | Very low | 48.5 | Very low | 168 Ų | 168 | 96.1 Ų | 96.1 | 73% | 0.73 | 47% | 0.469 | S | S | * | . | trans | -92.9 | 91.4 | 179.1 | -76.4 | -175.6 | 177.4 | 179.2 | 0 | 111.3 | D743 E747 | D743-K745 PolarHBondContact O-N 2.83Å; D743-K745 VanDerWaalsContact O-N 3.12Å; K745-E747 PolarHBondContact O-N 3.03Å | ||
| 746 | Y | 25.9 | Very low | 48.3 | Very low | 188 Ų | 188 | 96.8 Ų | 96.8 | 74% | 0.737 | 47% | 0.472 | S | S | * | . | trans | -50.9 | 98.9 | 160.2 | -67.9 | -96.6 | 0 | 0 | 0 | 111.1 | N744 | N744-Y746 WeakPolarHBondContact O-CD2 3.46Å; N744-Y746 PolarHBondContact O-N 3.45Å | ||
| 747 | E | 24.1 | Very low | 48.7 | Very low | 147 Ų | 147 | 96.1 Ų | 96.1 | 69% | 0.687 | 47% | 0.468 | S | S | * | . | trans | -174.3 | 112.9 | 148.7 | -105.7 | 171.9 | -158.9 | 0 | 0 | 110.5 | K402 K745 K749 | K402-E747 IonicContact NZ-OE1 2.9Å; K745-E747 PolarHBondContact O-N 3.03Å; E747-K749 PolarHBondContact O-N 3.05Å | ||
| 748 | I | 36.2 | Very low | 49.5 | Very low | 155 Ų | 155 | 97.4 Ų | 97.4 | 80% | 0.795 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 1.9 | -174.7 | -69.2 | 170.9 | 0 | 0 | 0 | 114 | ||
| 749 | K | 31.9 | Very low | 51.4 | Low | 198 Ų | 198 | 98.2 Ų | 98.2 | 86% | 0.861 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 2.7 | -172 | -73.2 | -171 | 175.5 | -178.8 | 0 | 116.7 | E747 | E747-K749 PolarHBondContact O-N 3.05Š|
| 750 | K | 32.8 | Very low | 53.3 | Low | 193 Ų | 193 | 95.6 Ų | 95.6 | 84% | 0.839 | 46% | 0.459 | S | S | * | . | trans | -143 | 20.4 | 179.6 | -83.7 | -169.2 | 178.9 | 176.5 | 0 | 117 | D752 | K750-D752 VanDerWaalsContact C-N 3.33Å; K750-D752 PolarHBondContact O-N 2.89Å; K750-D752 VanDerWaalsContact O-N 3.14Å | ||
| 751 | L | 38.5 | Very low | 55.5 | Low | 106 Ų | 106 | 95.4 Ų | 95.4 | 56% | 0.555 | 46% | 0.458 | S | S | * | . | trans | -82.2 | 85 | 163.6 | -86.1 | 148.4 | 0 | 0 | 0 | 108.4 | T753 | L751-T753 HydrophobicContact CD2-CG2 4.45Å; L751-T753 WeakPolarHBondContact CD2-OG1 3.34Å; L751-T753 PolarHBondContact O-N 3Å | ||
| 752 | D | 40.6 | Very low | 57.5 | Low | 154 Ų | 154 | 92.1 Ų | 92.1 | 82% | 0.824 | 45% | 0.447 | S | S | * | . | trans | -65.8 | 23 | 166.9 | -89.5 | -19.7 | 0 | 0 | 0 | 112.4 | Q534 K750 | Q534-D752 PolarHBondContact NE2-O 2.89Å; K750-D752 VanDerWaalsContact C-N 3.33Å; K750-D752 PolarHBondContact O-N 2.89Å; K750-D752 VanDerWaalsContact O-N 3.14Å | ||
| 753 | T | 52 | Low | 59.9 | Low | 30 Ų | 30 | 88.5 Ų | 88.5 | 18% | 0.184 | 43% | 0.43 | C | S | . | . | trans | -107.9 | 112.9 | -175.9 | 53.3 | 0 | 0 | 0 | 0 | 110 | F535 L751 L755 | F535-T753 HydrophobicContact CE1-CG2 4.4Å; F535-T753 HydrophobicContact CZ-CG2 3.64Å; L751-T753 HydrophobicContact CD2-CG2 4.45Å; L751-T753 WeakPolarHBondContact CD2-OG1 3.34Å; L751-T753 PolarHBondContact O-N 3Å; T753-L755 PolarHBondContact O-N 3.24Å | ||
| 754 | P | 63.8 | Low | 62.5 | Low | 112 Ų | 112 | 84 Ų | 84 | 73% | 0.727 | 41% | 0.406 | S | S | * | . | trans | -63.8 | 123.5 | 174.5 | 24.9 | -30.7 | 0 | 0 | 0 | 109.8 | ||||
| 755 | L | 79.8 | Confident | 65.1 | Low | 61 Ų | 61 | 80.7 Ų | 80.7 | 32% | 0.319 | 39% | 0.388 | S | S | . | . | trans | -80.1 | 146.8 | 177.8 | -67 | 156.5 | 0 | 0 | 0 | 110.2 | T753 I757 M760 | T753-L755 PolarHBondContact O-N 3.24Å; L755-I757 HydrophobicContact CB-CG1 4.05Å; L755-I757 PolarHBondContact O-N 2.65Å; L755-M760 HydrophobicContact CB-SD 4.08Å | ||
| 756 | P | 87.4 | Confident | 67.9 | Low | 15 Ų | 15 | 74.3 Ų | 74.3 | 10% | 0.097 | 37% | 0.365 | C | S | . | . | trans | -77.4 | 57.7 | 176.3 | 35.3 | -38.2 | 0 | 0 | 0 | 111.2 | D718 K758 W759 M760 | D718-P756 WeakPolarHBondContact OD1-CB 2.97Å; D718-P756 WeakPolarHBondContact OD1-CG 3.47Å; P756-K758 PolarHBondContact O-N 3.04Å; P756-W759 HydrophobicContact CB-CE3 4.1Å; P756-W759 PolarHBondContact O-N 2.8Å; P756-M760 HydrophobicContact CG-CG 4.21Å; P756-M760 HydrophobicContact CG-SD 4.4Å; P756-M760 WeakPolarHBondContact O-CG 3.29Å; P756-M760 PolarHBondContact O-N 2.77Å | ||
| 757 | I | 90.5 | Very high | 70.6 | Confident | 41 Ų | 41 | 73 Ų | 73 | 21% | 0.21 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -48.3 | -39 | -168.5 | -72.9 | 166.8 | 0 | 0 | 0 | 113 | L755 W759 M760 L765 P799 F803 | L755-I757 HydrophobicContact CB-CG1 4.05Å; L755-I757 PolarHBondContact O-N 2.65Å; I757-W759 VanDerWaalsContact C-N 3.3Å; I757-W759 PolarHBondContact O-N 2.86Å; I757-M760 PolarHBondContact O-N 2.89Å; I757-L765 HydrophobicContact CB-CD2 4.37Å; I757-L765 HydrophobicContact CG1-CD2 4.36Å; I757-L765 HydrophobicContact CG2-CD2 3.93Å; I757-P799 HydrophobicContact CB-CB 3.76Å; I757-P799 HydrophobicContact CD1-CB 3.85Å; I757-P799 HydrophobicContact CG1-CB 4.38Å; I757-P799 HydrophobicContact CG2-CB 3.7Å; I757-F803 HydrophobicContact CG2-CD1 3.63Å; I757-F803 HydrophobicContact CG2-CE1 3.85Å |
| 758 | K | 92.8 | Very high | 73.3 | Confident | 28 Ų | 28 | 71.8 Ų | 71.8 | 12% | 0.122 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -71.3 | -17.8 | -178.3 | -71.6 | 174.8 | 160.1 | -158.2 | 0 | 114.7 | P756 P793 Y794 H797 F803 | P756-K758 PolarHBondContact O-N 3.04Å; K758-P793 HydrophobicContact CB-CG 4.2Å; K758-P793 VanDerWaalsContact CD-O 3.26Å; K758-P793 WeakPolarHBondContact CD-O 3.34Å; K758-P793 WeakPolarHBondContact CE-O 3.18Å; K758-P793 PolarHBondContact NZ-O 2.85Å; K758-Y794 HydrophobicContact CB-CD2 4.08Å; K758-Y794 WeakPolarHBondContact CE-O 3.41Å; K758-Y794 HydrophobicContact CG-CD2 4.23Å; K758-Y794 PolarHBondContact NZ-O 2.86Å; K758-Y794 WeakPolarHBondContact O-CE2 3.38Å; K758-H797 WeakPolarHBondContact CE-O 3.44Å; K758-H797 PolarHBondContact NZ-O 1.99Å; K758-F803 HydrophobicContact CG-CE1 4.48Å; K758-F803 HydrophobicContact CG-CZ 4.37Å |
| 759 | W | 95.1 | Very high | 75.6 | Confident | 30 Ų | 30 | 69.8 Ų | 69.8 | 11% | 0.114 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -100.2 | -13.3 | 177.1 | -69.2 | -100.4 | 0 | 0 | 0 | 112.9 | A720 R722 P756 I757 S778 I781 E785 P793 | A720-W759 HydrophobicContact CB-CD2 4.4Å; A720-W759 HydrophobicContact CB-CG 4.16Å; R722-W759 VanDerWaalsContact NH1-CZ2 3.32Å; P756-W759 HydrophobicContact CB-CE3 4.1Å; P756-W759 PolarHBondContact O-N 2.8Å; I757-W759 VanDerWaalsContact C-N 3.3Å; I757-W759 PolarHBondContact O-N 2.86Å; W759-S778 WeakPolarHBondContact O-CA 3.26Å; W759-S778 WeakPolarHBondContact O-CB 3.41Å; W759-S778 PolarHBondContact O-OG 3.3Å; W759-I781 HydrophobicContact CG-CG2 4.01Å; W759-E785 WeakPolarHBondContact CZ2-OE1 3.35Å; W759-E785 VanDerWaalsContact NE1-CD 3.26Å; W759-E785 PolarHBondContact NE1-OE1 3.14Å; W759-E785 PolarHBondContact NE1-OE2 2.73Å; W759-P793 HydrophobicContact CD2-CG 4.32Å; W759-P793 HydrophobicContact CH2-CG 3.95Å; W759-P793 VanDerWaalsContact CZ2-CD 3.49Å; W759-P793 HydrophobicContact CZ2-CG 3.55Å; W759-P793 HydrophobicContact CZ3-CG 4.5Å |
| 760 | M | 93.3 | Very high | 78.2 | Confident | 7 Ų | 7 | 62.8 Ų | 62.8 | 3% | 0.034 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -80.4 | 144.4 | -174.1 | -69.5 | 175.5 | 60.7 | 0 | 0 | 112.2 | L755 P756 I757 L765 Y770 W777 | L755-M760 HydrophobicContact CB-SD 4.08Å; P756-M760 HydrophobicContact CG-CG 4.21Å; P756-M760 HydrophobicContact CG-SD 4.4Å; P756-M760 WeakPolarHBondContact O-CG 3.29Å; P756-M760 PolarHBondContact O-N 2.77Å; I757-M760 PolarHBondContact O-N 2.89Å; M760-L765 HydrophobicContact CB-CD1 4.37Å; M760-L765 HydrophobicContact CB-CD2 3.9Å; M760-L765 HydrophobicContact CB-CG 3.84Å; M760-L765 HydrophobicContact CE-CD2 4.12Å; M760-L765 HydrophobicContact CE-CG 4.5Å; M760-L765 HydrophobicContact SD-CD2 4.19Å; M760-Y770 HydrophobicContact CE-CE1 4.01Å; M760-Y770 VanDerWaalsContact CE-OH 3.31Å; M760-Y770 WeakPolarHBondContact CE-OH 3.47Å; M760-W777 PolarHBondContact O-NE1 2.73Å; M760-W777 VanDerWaalsContact O-NE1 3.08Å |
| 761 | A | 94.4 | Very high | 81 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -70.9 | 159.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E763 S764 L765 W777 | A761-E763 VanDerWaalsContact C-N 3.3Å; A761-E763 WeakPolarHBondContact CB-OE1 3.39Å; A761-E763 VanDerWaalsContact CB-OE2 3.28Å; A761-E763 WeakPolarHBondContact CB-OE2 3.27Å; A761-E763 PolarHBondContact O-N 2.73Å; A761-S764 PolarHBondContact O-N 2.88Å; A761-S764 VanDerWaalsContact O-N 3.1Å; A761-L765 WeakPolarHBondContact O-CG 3.23Å; A761-L765 PolarHBondContact O-N 3.25Å; A761-W777 HydrophobicContact CB-CB 3.64Å; A761-W777 HydrophobicContact CB-CD2 3.99Å; A761-W777 HydrophobicContact CB-CE3 4.36Å; A761-W777 HydrophobicContact CB-CG 3.66Å | ||
| 762 | I | 90.8 | Very high | 83.7 | Confident | 18 Ų | 18 | 52.6 Ų | 52.6 | 9% | 0.092 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -58.7 | -41.1 | -178.1 | -64.1 | 172 | 0 | 0 | 0 | 111.5 | L765 S766 W777 L807 K808 | I762-L765 PolarHBondContact O-N 2.83Å; I762-S766 WeakPolarHBondContact O-CB 3.44Å; I762-S766 PolarHBondContact O-N 3.13Å; I762-S766 PolarHBondContact O-OG 3.35Å; I762-W777 HydrophobicContact CD1-CH2 3.63Å; I762-W777 HydrophobicContact CD1-CZ3 3.84Å; I762-W777 HydrophobicContact CG1-CH2 3.55Å; I762-W777 HydrophobicContact CG1-CZ2 4.19Å; I762-W777 HydrophobicContact CG1-CZ3 3.87Å; I762-L807 HydrophobicContact CD1-CB 4.42Å; I762-L807 HydrophobicContact CG1-CB 4.26Å; I762-K808 HydrophobicContact CG2-CG 3.9Å |
| 763 | E | 91.3 | Very high | 86.3 | Confident | 11 Ų | 11 | 47.9 Ų | 47.9 | 5% | 0.051 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.8 | -37.7 | 177.1 | 70.1 | -76.7 | -174.9 | 0 | 0 | 112.1 | A761 L765 S766 Y767 R768 E769 S774 P860 R863 | A761-E763 VanDerWaalsContact C-N 3.3Å; A761-E763 WeakPolarHBondContact CB-OE1 3.39Å; A761-E763 VanDerWaalsContact CB-OE2 3.28Å; A761-E763 WeakPolarHBondContact CB-OE2 3.27Å; A761-E763 PolarHBondContact O-N 2.73Å; E763-L765 VanDerWaalsContact C-N 3.34Å; E763-L765 PolarHBondContact O-N 3.27Å; E763-S766 PolarHBondContact O-N 3.37Å; E763-Y767 HydrophobicContact CB-CD2 4.41Å; E763-Y767 WeakPolarHBondContact O-CA 3.34Å; E763-Y767 PolarHBondContact O-N 3.38Å; E763-R768 PolarHBondContact O-N 3.43Å; E763-E769 HydrophobicContact CG-CB 4.47Å; E763-S774 WeakPolarHBondContact OE1-CA 3.35Å; E763-S774 WeakPolarHBondContact OE1-CB 3.48Å; E763-P860 HydrophobicContact CG-CG 4.07Å; E763-R863 IonicContact OE1-CZ 3.66Å; E763-R863 IonicContact OE1-NH1 3.59Å; E763-R863 PolarHBondContact OE1-NH1 2.87Å; E763-R863 IonicContact OE1-NH2 3.54Å; E763-R863 IonicContact OE2-CZ 2.81Å; E763-R863 IonicContact OE2-NH1 3.51Å; E763-R863 PolarHBondContact OE2-NH1 2.73Å; E763-R863 IonicContact OE2-NH2 3.43Å; E763-R863 PolarHBondContact OE2-NH2 3.27Å |
| 764 | S | 91.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.6 | -34.8 | 175 | -50.6 | 0 | 0 | 0 | 0 | 111.9 | A761 R768 E769 S774 | A761-S764 PolarHBondContact O-N 2.88Å; A761-S764 VanDerWaalsContact O-N 3.1Å; S764-R768 WeakPolarHBondContact O-CA 3.25Å; S764-R768 PolarHBondContact O-N 3.27Å; S764-E769 WeakPolarHBondContact CA-O 3.44Å; S764-E769 WeakPolarHBondContact CB-O 3.33Å; S764-E769 PolarHBondContact N-O 3Å; S764-E769 PolarHBondContact OG-O 3.42Å; S764-S774 VanDerWaalsContact OG-CB 3.26Å; S764-S774 WeakPolarHBondContact OG-CB 3.43Å |
| 765 | L | 88.4 | Confident | 89.9 | Confident | 32 Ų | 32 | 41.2 Ų | 41.2 | 17% | 0.168 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.5 | -37.8 | 175 | -69.8 | 166.3 | 0 | 0 | 0 | 112.3 | I757 M760 A761 I762 E763 V804 L807 | I757-L765 HydrophobicContact CB-CD2 4.37Å; I757-L765 HydrophobicContact CG1-CD2 4.36Å; I757-L765 HydrophobicContact CG2-CD2 3.93Å; M760-L765 HydrophobicContact CB-CD1 4.37Å; M760-L765 HydrophobicContact CB-CD2 3.9Å; M760-L765 HydrophobicContact CB-CG 3.84Å; M760-L765 HydrophobicContact CE-CD2 4.12Å; M760-L765 HydrophobicContact CE-CG 4.5Å; M760-L765 HydrophobicContact SD-CD2 4.19Å; A761-L765 WeakPolarHBondContact O-CG 3.23Å; A761-L765 PolarHBondContact O-N 3.25Å; I762-L765 PolarHBondContact O-N 2.83Å; E763-L765 VanDerWaalsContact C-N 3.34Å; E763-L765 PolarHBondContact O-N 3.27Å; L765-V804 HydrophobicContact CB-CG1 4.33Å; L765-V804 HydrophobicContact CB-CG2 4.06Å; L765-V804 HydrophobicContact CD1-CG2 4.23Å; L765-V804 HydrophobicContact CD2-CG2 4.32Å; L765-V804 HydrophobicContact CG-CG2 4.44Å; L765-L807 HydrophobicContact CD1-CD1 3.88Å |
| 766 | S | 85.2 | Confident | 90.8 | Very high | 33 Ų | 33 | 38.3 Ų | 38.3 | 23% | 0.231 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -87.8 | -41.2 | -172.4 | -57.7 | 0 | 0 | 0 | 0 | 113.6 | I762 E763 K808 | I762-S766 WeakPolarHBondContact O-CB 3.44Å; I762-S766 PolarHBondContact O-N 3.13Å; I762-S766 PolarHBondContact O-OG 3.35Å; E763-S766 PolarHBondContact O-N 3.37Å; S766-K808 WeakPolarHBondContact OG-CE 3.24Å; S766-K808 PolarHBondContact OG-NZ 2.92Å |
| 767 | Y | 83 | Confident | 91.3 | Very high | 161 Ų | 161 | 37.7 Ų | 37.7 | 63% | 0.631 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -124.6 | -2.5 | -168.4 | -51.7 | -63.4 | 0 | 0 | 0 | 112.8 | E763 E769 | E763-Y767 HydrophobicContact CB-CD2 4.41Å; E763-Y767 WeakPolarHBondContact O-CA 3.34Å; E763-Y767 PolarHBondContact O-N 3.38Å; Y767-E769 PolarHBondContact O-N 2.95Å |
| 768 | R | 81.1 | Confident | 91.6 | Very high | 121 Ų | 121 | 36 Ų | 36 | 46% | 0.457 | 17% | 0.165 | S | C | . | . | trans | 58.6 | 26.6 | -173 | -58.1 | -65.1 | -172.4 | 150.6 | -2.2 | 113.1 | E763 S764 Y770 | E763-R768 PolarHBondContact O-N 3.43Å; S764-R768 WeakPolarHBondContact O-CA 3.25Å; S764-R768 PolarHBondContact O-N 3.27Å; R768-Y770 HydrophobicContact CB-CE2 4.48Å; R768-Y770 WeakPolarHBondContact O-CD2 3.47Å; R768-Y770 WeakPolarHBondContact O-CE2 3.33Å | ||
| 769 | E | 83.2 | Confident | 91.9 | Very high | 113 Ų | 113 | 34.7 Ų | 34.7 | 53% | 0.528 | 16% | 0.159 | S | C | . | . | trans | -83.9 | 124 | 173.5 | -69.9 | -180 | -177.7 | 0 | 0 | 109.4 | E763 S764 Y767 | E763-E769 HydrophobicContact CG-CB 4.47Å; S764-E769 WeakPolarHBondContact CA-O 3.44Å; S764-E769 WeakPolarHBondContact CB-O 3.33Å; S764-E769 PolarHBondContact N-O 3Å; S764-E769 PolarHBondContact OG-O 3.42Å; Y767-E769 PolarHBondContact O-N 2.95Å | ||
| 770 | Y | 87.6 | Confident | 92 | Very high | 51 Ų | 51 | 33.2 Ų | 33.2 | 20% | 0.2 | 15% | 0.154 | C | C | . | . | trans | -116.7 | 129.9 | 176 | -61.9 | -87.6 | 0 | 0 | 0 | 107.8 | I715 R717 M760 R768 | I715-Y770 VanDerWaalsContact CD1-O 3.28Å; I715-Y770 WeakPolarHBondContact CD1-O 3.45Å; R717-Y770 HydrophobicContact CB-CD1 4.23Å; R717-Y770 HydrophobicContact CG-CD1 3.92Å; R717-Y770 HydrophobicContact CG-CG 4.15Å; M760-Y770 HydrophobicContact CE-CE1 4.01Å; M760-Y770 VanDerWaalsContact CE-OH 3.31Å; M760-Y770 WeakPolarHBondContact CE-OH 3.47Å; R768-Y770 HydrophobicContact CB-CE2 4.48Å; R768-Y770 WeakPolarHBondContact O-CD2 3.47Å; R768-Y770 WeakPolarHBondContact O-CE2 3.33Å | ||
| 771 | T | 91.7 | Very high | 92.1 | Very high | 52 Ų | 52 | 32.9 Ų | 32.9 | 32% | 0.319 | 15% | 0.152 | S | C | . | . | trans | -143.5 | 169.7 | -179 | 66 | 0 | 0 | 0 | 0 | 109.6 | K773 S774 D775 | T771-K773 PolarHBondContact O-N 3.05Å; T771-K773 PolarHBondContact OG1-N 3.39Å; T771-S774 PolarHBondContact N-OG 3.39Å; T771-S774 PolarHBondContact O-N 3.24Å; T771-S774 PolarHBondContact O-OG 3.06Å; T771-S774 PolarHBondContact OG1-N 2.86Å; T771-S774 VanDerWaalsContact OG1-N 3.12Å; T771-D775 PolarHBondContact O-N 3.15Å | ||
| 772 | V | 94.2 | Very high | 92.3 | Very high | 34 Ų | 34 | 32.9 Ų | 32.9 | 21% | 0.206 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -55.4 | -33.5 | 169.2 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | A710 D775 V776 F866 | A710-V772 HydrophobicContact CB-CG1 3.57Å; A710-V772 HydrophobicContact CB-CG2 4.22Å; V772-D775 WeakPolarHBondContact O-CB 3.22Å; V772-D775 PolarHBondContact O-N 2.87Å; V772-V776 WeakPolarHBondContact O-CG2 3.5Å; V772-V776 PolarHBondContact O-N 3.16Å; V772-F866 HydrophobicContact CG1-CD2 4.04Å; V772-F866 HydrophobicContact CG1-CE2 4Å |
| 773 | K | 96.2 | Very high | 92.5 | Very high | 54 Ų | 54 | 32.2 Ų | 32.2 | 24% | 0.235 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -72.7 | -26.1 | 177.2 | -64.3 | -64.8 | -173.7 | 172.2 | 0 | 113.3 | T771 D775 V776 W777 P860 R863 P864 | T771-K773 PolarHBondContact O-N 3.05Å; T771-K773 PolarHBondContact OG1-N 3.39Å; K773-D775 VanDerWaalsContact C-N 3.32Å; K773-V776 HydrophobicContact CD-CG2 4.45Å; K773-V776 PolarHBondContact O-N 3.22Å; K773-W777 PolarHBondContact O-N 3.42Å; K773-P860 HydrophobicContact CB-CB 3.77Å; K773-P860 VanDerWaalsContact CD-O 3.31Å; K773-P860 WeakPolarHBondContact CD-O 3.35Å; K773-P860 HydrophobicContact CG-CB 4.36Å; K773-P860 WeakPolarHBondContact CG-O 3.17Å; K773-R863 HydrophobicContact CD-CB 4.3Å; K773-R863 PolarHBondContact NZ-O 3.1Å; K773-R863 PolarHBondContact O-NH1 3.08Å; K773-P864 PolarHBondContact NZ-O 2.78Å |
| 774 | S | 94.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.7 | -33.4 | 168.8 | 67.8 | 0 | 0 | 0 | 0 | 111.4 | E763 S764 T771 W777 S778 | E763-S774 WeakPolarHBondContact OE1-CA 3.35Å; E763-S774 WeakPolarHBondContact OE1-CB 3.48Å; S764-S774 VanDerWaalsContact OG-CB 3.26Å; S764-S774 WeakPolarHBondContact OG-CB 3.43Å; T771-S774 PolarHBondContact N-OG 3.39Å; T771-S774 PolarHBondContact O-N 3.24Å; T771-S774 PolarHBondContact O-OG 3.06Å; T771-S774 PolarHBondContact OG1-N 2.86Å; T771-S774 VanDerWaalsContact OG1-N 3.12Å; S774-W777 WeakPolarHBondContact O-CB 3.24Å; S774-W777 PolarHBondContact O-N 2.94Å; S774-S778 PolarHBondContact O-N 3.32Å; S774-S778 PolarHBondContact O-OG 3.43Å |
| 775 | D | 96.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69.7 | -32.7 | 172.3 | -69.9 | -24.4 | 0 | 0 | 0 | 112.1 | M706 I715 H716 R717 T771 V772 K773 W777 S778 F779 F866 | M706-D775 HydrophobicContact CE-CB 3.78Å; I715-D775 WeakPolarHBondContact CA-OD2 3.29Å; I715-D775 VanDerWaalsContact CG2-OD2 3.31Å; I715-D775 WeakPolarHBondContact CG2-OD2 3.46Å; H716-D775 PolarHBondContact N-OD2 2.86Å; R717-D775 PolarHBondContact N-OD1 3.2Å; T771-D775 PolarHBondContact O-N 3.15Å; V772-D775 WeakPolarHBondContact O-CB 3.22Å; V772-D775 PolarHBondContact O-N 2.87Å; K773-D775 VanDerWaalsContact C-N 3.32Å; D775-W777 VanDerWaalsContact C-N 3.27Å; D775-W777 PolarHBondContact O-N 3.21Å; D775-S778 CarbonylContact O-C 3.49Å; D775-S778 WeakPolarHBondContact O-CB 3.27Å; D775-S778 PolarHBondContact O-N 3.05Å; D775-S778 VanDerWaalsContact O-N 3.15Å; D775-F779 WeakPolarHBondContact O-CB 3.23Å; D775-F779 PolarHBondContact O-N 3.37Å; D775-F866 HydrophobicContact CB-CE2 4.1Å; D775-F866 HydrophobicContact CB-CZ 3.96Å |
| 776 | V | 97.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.1 | -38.9 | 172.3 | 172.9 | 0 | 0 | 0 | 0 | 111 | V772 K773 F779 G780 C855 R863 P864 F866 | V772-V776 WeakPolarHBondContact O-CG2 3.5Å; V772-V776 PolarHBondContact O-N 3.16Å; K773-V776 HydrophobicContact CD-CG2 4.45Å; K773-V776 PolarHBondContact O-N 3.22Å; V776-F779 WeakPolarHBondContact O-CB 3.39Å; V776-F779 PolarHBondContact O-N 3.37Å; V776-G780 PolarHBondContact O-N 3.17Å; V776-C855 HydrophobicContact CG1-CB 4.07Å; V776-C855 WeakPolarHBondContact O-CB 3.44Å; V776-R863 HydrophobicContact CG1-CB 4.08Å; V776-P864 HydrophobicContact CG1-CG 4.23Å; V776-F866 HydrophobicContact CB-CZ 4.47Å; V776-F866 HydrophobicContact CG2-CD2 4.03Å; V776-F866 HydrophobicContact CG2-CE1 4.26Å; V776-F866 HydrophobicContact CG2-CE2 3.7Å; V776-F866 HydrophobicContact CG2-CG 4.43Å; V776-F866 HydrophobicContact CG2-CZ 3.83Å |
| 777 | W | 97.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.4 | -48.7 | 172.4 | 176 | -71.4 | 0 | 0 | 0 | 111.3 | M760 A761 I762 K773 S774 D775 F779 G780 I781 L807 C855 W856 | M760-W777 PolarHBondContact O-NE1 2.73Å; M760-W777 VanDerWaalsContact O-NE1 3.08Å; A761-W777 HydrophobicContact CB-CB 3.64Å; A761-W777 HydrophobicContact CB-CD2 3.99Å; A761-W777 HydrophobicContact CB-CE3 4.36Å; A761-W777 HydrophobicContact CB-CG 3.66Å; I762-W777 HydrophobicContact CD1-CH2 3.63Å; I762-W777 HydrophobicContact CD1-CZ3 3.84Å; I762-W777 HydrophobicContact CG1-CH2 3.55Å; I762-W777 HydrophobicContact CG1-CZ2 4.19Å; I762-W777 HydrophobicContact CG1-CZ3 3.87Å; K773-W777 PolarHBondContact O-N 3.42Å; S774-W777 WeakPolarHBondContact O-CB 3.24Å; S774-W777 PolarHBondContact O-N 2.94Å; D775-W777 VanDerWaalsContact C-N 3.27Å; D775-W777 PolarHBondContact O-N 3.21Å; W777-F779 PolarHBondContact O-N 2.86Å; W777-G780 PolarHBondContact O-N 3.04Å; W777-G780 VanDerWaalsContact O-N 3.09Å; W777-I781 PolarHBondContact O-N 3.41Å; W777-L807 HydrophobicContact CZ2-CD1 4.29Å; W777-L807 HydrophobicContact CZ2-CD2 4.22Å; W777-C855 WeakPolarHBondContact CA-O 3.45Å; W777-W856 HydrophobicContact CD2-CB 4.5Å; W777-W856 AromaticContact CD2-CD1 3.83Å; W777-W856 AromaticContact CE2-CD1 3.97Å; W777-W856 HydrophobicContact CE3-CB 4.14Å; W777-W856 HydrophobicContact CH2-CB 4.22Å; W777-W856 HydrophobicContact CZ3-CB 4Å; W777-W856 VanDerWaalsContact CZ3-O 3.32Å; W777-W856 WeakPolarHBondContact CZ3-O 3.34Å; W777-W856 PolarHBondContact O-NE1 3.16Å |
| 778 | S | 97.5 | Very high | 93.8 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 4% | 0.042 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.4 | -35.5 | 176.9 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | L719 W759 S774 D775 I781 V782 | L719-S778 WeakPolarHBondContact O-CB 3.42Å; W759-S778 WeakPolarHBondContact O-CA 3.26Å; W759-S778 WeakPolarHBondContact O-CB 3.41Å; W759-S778 PolarHBondContact O-OG 3.3Å; S774-S778 PolarHBondContact O-N 3.32Å; S774-S778 PolarHBondContact O-OG 3.43Å; D775-S778 CarbonylContact O-C 3.49Å; D775-S778 WeakPolarHBondContact O-CB 3.27Å; D775-S778 PolarHBondContact O-N 3.05Å; D775-S778 VanDerWaalsContact O-N 3.15Å; S778-I781 CarbonylContact O-C 3.53Å; S778-I781 WeakPolarHBondContact O-CA 3.34Å; S778-I781 WeakPolarHBondContact O-CB 3.49Å; S778-I781 PolarHBondContact O-N 3.39Å; S778-I781 VanDerWaalsContact O-N 3.1Å; S778-V782 PolarHBondContact O-N 3.05Å |
| 779 | F | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 172.8 | 174.3 | -105.5 | 0 | 0 | 0 | 112.6 | V702 A703 L719 D775 V776 W777 I781 V782 L783 F866 C869 I873 | V702-F779 HydrophobicContact CB-CE2 4.07Å; V702-F779 HydrophobicContact CG1-CD2 3.73Å; V702-F779 HydrophobicContact CG1-CE2 3.79Å; A703-F779 HydrophobicContact CB-CE2 4.05Å; A703-F779 HydrophobicContact CB-CZ 3.78Å; L719-F779 HydrophobicContact CD2-CB 3.73Å; L719-F779 HydrophobicContact CD2-CD2 4.43Å; D775-F779 WeakPolarHBondContact O-CB 3.23Å; D775-F779 PolarHBondContact O-N 3.37Å; V776-F779 WeakPolarHBondContact O-CB 3.39Å; V776-F779 PolarHBondContact O-N 3.37Å; W777-F779 PolarHBondContact O-N 2.86Å; F779-I781 PolarHBondContact O-N 2.97Å; F779-V782 WeakPolarHBondContact O-CA 3.21Å; F779-V782 WeakPolarHBondContact O-CB 3.36Å; F779-V782 PolarHBondContact O-N 2.62Å; F779-V782 VanDerWaalsContact O-N 3.07Å; F779-L783 HydrophobicContact CD1-CD1 4.17Å; F779-L783 HydrophobicContact CD1-CG 4.33Å; F779-L783 HydrophobicContact CE1-CD1 3.58Å; F779-L783 HydrophobicContact CE1-CD2 4.21Å; F779-L783 HydrophobicContact CE1-CG 3.88Å; F779-L783 HydrophobicContact CE2-CD2 4.05Å; F779-L783 HydrophobicContact CE2-CG 4.23Å; F779-L783 HydrophobicContact CZ-CD1 3.94Å; F779-L783 HydrophobicContact CZ-CD2 3.68Å; F779-L783 HydrophobicContact CZ-CG 3.83Å; F779-L783 WeakPolarHBondContact O-CG 3.43Å; F779-L783 PolarHBondContact O-N 3.2Å; F779-F866 HydrophobicContact CB-CE1 3.59Å; F779-F866 HydrophobicContact CB-CZ 4.16Å; F779-F866 HydrophobicContact CD1-CE1 4.2Å; F779-F866 HydrophobicContact CD2-CE1 4.11Å; F779-F866 HydrophobicContact CG-CD1 4.38Å; F779-F866 AromaticContact CG-CE1 3.71Å; F779-F866 HydrophobicContact CG-CE1 3.71Å; F779-C869 HydrophobicContact CD1-CB 4.39Å; F779-C869 HydrophobicContact CE1-CB 3.69Å; F779-C869 HydrophobicContact CZ-CB 4.32Å; F779-I873 HydrophobicContact CE1-CD1 4.35Å; F779-I873 HydrophobicContact CZ-CD1 3.75Å |
| 780 | G | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -57 | -39.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V776 W777 L783 W784 W856 | V776-G780 PolarHBondContact O-N 3.17Å; W777-G780 PolarHBondContact O-N 3.04Å; W777-G780 VanDerWaalsContact O-N 3.09Å; G780-L783 PolarHBondContact O-N 3.27Å; G780-W784 PolarHBondContact O-N 3.24Å; G780-W856 VanDerWaalsContact C-NE1 3.35Å; G780-W856 WeakPolarHBondContact O-CZ2 3.48Å |
| 781 | I | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.2 | -40.5 | 174.1 | -54 | -67.3 | 0 | 0 | 0 | 111 | W759 W777 S778 F779 L783 W784 E785 P793 Y794 L813 W856 | W759-I781 HydrophobicContact CG-CG2 4.01Å; W777-I781 PolarHBondContact O-N 3.41Å; S778-I781 CarbonylContact O-C 3.53Å; S778-I781 WeakPolarHBondContact O-CA 3.34Å; S778-I781 WeakPolarHBondContact O-CB 3.49Å; S778-I781 PolarHBondContact O-N 3.39Å; S778-I781 VanDerWaalsContact O-N 3.1Å; F779-I781 PolarHBondContact O-N 2.97Å; I781-L783 PolarHBondContact O-N 3.43Å; I781-W784 CarbonylContact O-C 3.49Å; I781-W784 WeakPolarHBondContact O-CB 3.44Å; I781-W784 PolarHBondContact O-N 3.31Å; I781-W784 VanDerWaalsContact O-N 3.17Å; I781-E785 HydrophobicContact CG2-CG 4.47Å; I781-E785 WeakPolarHBondContact O-CG 3.42Å; I781-E785 PolarHBondContact O-N 3.24Å; I781-P793 HydrophobicContact CG2-CB 3.93Å; I781-P793 HydrophobicContact CG2-CG 3.79Å; I781-Y794 HydrophobicContact CD1-CE2 3.79Å; I781-L813 HydrophobicContact CD1-CD1 3.56Å; I781-W856 HydrophobicContact CD1-CZ2 3.76Å |
| 782 | V | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 174.4 | 166.9 | 0 | 0 | 0 | 0 | 111.6 | V702 L719 L721 L724 S778 F779 W784 E785 I786 | V702-V782 HydrophobicContact CG1-CG1 4.35Å; L719-V782 HydrophobicContact CG-CG2 4Å; L721-V782 HydrophobicContact CD1-CG1 4.22Å; L724-V782 HydrophobicContact CD1-CG1 3.78Å; S778-V782 PolarHBondContact O-N 3.05Å; F779-V782 WeakPolarHBondContact O-CA 3.21Å; F779-V782 WeakPolarHBondContact O-CB 3.36Å; F779-V782 PolarHBondContact O-N 2.62Å; F779-V782 VanDerWaalsContact O-N 3.07Å; V782-W784 VanDerWaalsContact C-N 3.29Å; V782-W784 PolarHBondContact O-N 2.89Å; V782-E785 PolarHBondContact O-N 3.31Å; V782-I786 HydrophobicContact CG1-CD1 3.96Å; V782-I786 HydrophobicContact CG1-CG1 4.4Å; V782-I786 WeakPolarHBondContact O-CG1 3.2Å; V782-I786 PolarHBondContact O-N 3.02Å |
| 783 | L | 96 | Very high | 94.4 | Very high | 3 Ų | 3 | 13.1 Ų | 13.1 | 2% | 0.016 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.3 | -46.1 | 174.1 | -69.2 | -177.6 | 0 | 0 | 0 | 110.4 | S699 F779 G780 I781 E785 I786 F787 L851 M852 I873 | S699-L783 VanDerWaalsContact CB-CD2 3.46Å; S699-L783 WeakPolarHBondContact OG-CD2 3.39Å; F779-L783 HydrophobicContact CD1-CD1 4.17Å; F779-L783 HydrophobicContact CD1-CG 4.33Å; F779-L783 HydrophobicContact CE1-CD1 3.58Å; F779-L783 HydrophobicContact CE1-CD2 4.21Å; F779-L783 HydrophobicContact CE1-CG 3.88Å; F779-L783 HydrophobicContact CE2-CD2 4.05Å; F779-L783 HydrophobicContact CE2-CG 4.23Å; F779-L783 HydrophobicContact CZ-CD1 3.94Å; F779-L783 HydrophobicContact CZ-CD2 3.68Å; F779-L783 HydrophobicContact CZ-CG 3.83Å; F779-L783 WeakPolarHBondContact O-CG 3.43Å; F779-L783 PolarHBondContact O-N 3.2Å; G780-L783 PolarHBondContact O-N 3.27Å; I781-L783 PolarHBondContact O-N 3.43Å; L783-E785 PolarHBondContact O-N 2.93Å; L783-I786 PolarHBondContact O-N 3.34Å; L783-F787 VanDerWaalsContact O-CD2 3.3Å; L783-F787 WeakPolarHBondContact O-CD2 3.16Å; L783-F787 PolarHBondContact O-N 3.38Å; L783-L851 HydrophobicContact CD1-CD2 3.82Å; L783-L851 HydrophobicContact CD1-CG 3.94Å; L783-M852 HydrophobicContact CB-CE 3.86Å; L783-M852 HydrophobicContact CB-CG 3.64Å; L783-M852 HydrophobicContact CB-SD 4.37Å; L783-M852 HydrophobicContact CD1-CG 4.13Å; L783-I873 HydrophobicContact CD2-CD1 4.25Å |
| 784 | W | 94.6 | Very high | 94.1 | Very high | 17 Ų | 17 | 11 Ų | 11 | 6% | 0.064 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -59.6 | -45.6 | 175.4 | -172.3 | 96.9 | 0 | 0 | 0 | 111.8 | G780 I781 V782 I786 F787 S788 T791 P793 L813 S814 P816 M852 W856 | G780-W784 PolarHBondContact O-N 3.24Å; I781-W784 CarbonylContact O-C 3.49Å; I781-W784 WeakPolarHBondContact O-CB 3.44Å; I781-W784 PolarHBondContact O-N 3.31Å; I781-W784 VanDerWaalsContact O-N 3.17Å; V782-W784 VanDerWaalsContact C-N 3.29Å; V782-W784 PolarHBondContact O-N 2.89Å; W784-I786 VanDerWaalsContact C-N 3.32Å; W784-I786 PolarHBondContact O-N 3.34Å; W784-F787 PolarHBondContact O-N 2.65Å; W784-S788 VanDerWaalsContact CE2-OG 3.26Å; W784-S788 WeakPolarHBondContact CZ2-OG 3.18Å; W784-S788 WeakPolarHBondContact O-CB 3.43Å; W784-S788 PolarHBondContact O-N 3.39Å; W784-S788 PolarHBondContact O-OG 3.33Å; W784-T791 HydrophobicContact CH2-CG2 4Å; W784-T791 HydrophobicContact CZ3-CG2 4.33Å; W784-P793 HydrophobicContact CE3-CB 4.12Å; W784-P793 HydrophobicContact CZ3-CB 4.09Å; W784-L813 HydrophobicContact CB-CD1 4Å; W784-L813 HydrophobicContact CD2-CD1 3.68Å; W784-L813 HydrophobicContact CD2-CD2 4.47Å; W784-L813 HydrophobicContact CD2-CG 4.46Å; W784-L813 HydrophobicContact CE3-CD1 4.16Å; W784-L813 HydrophobicContact CG-CB 4.35Å; W784-L813 HydrophobicContact CG-CD1 3.57Å; W784-L813 HydrophobicContact CG-CG 4.45Å; W784-L813 HydrophobicContact CZ2-CD2 4.21Å; W784-S814 PolarHBondContact NE1-O 3.26Å; W784-P816 HydrophobicContact CG-CG 4Å; W784-M852 HydrophobicContact CB-SD 4Å; W784-W856 HydrophobicContact CB-CH2 4.02Å; W784-W856 HydrophobicContact CB-CZ2 4.04Å; W784-W856 AromaticContact CD1-CH2 3.98Å; W784-W856 HydrophobicContact CG-CH2 4.28Å |
| 785 | E | 95.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 15 Ų | 15 | 2% | 0.019 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.9 | -42 | 176 | -70.4 | -177.3 | 105.2 | 0 | 0 | 111.7 | L721 W759 I781 V782 L783 S788 H789 G790 | L721-E785 HydrophobicContact CB-CB 3.97Å; L721-E785 HydrophobicContact CB-CG 4.47Å; L721-E785 HydrophobicContact CD2-CB 3.81Å; L721-E785 HydrophobicContact CG-CB 4.4Å; L721-E785 PolarHBondContact N-OE2 3.42Å; L721-E785 VanDerWaalsContact N-OE2 3.08Å; W759-E785 WeakPolarHBondContact CZ2-OE1 3.35Å; W759-E785 VanDerWaalsContact NE1-CD 3.26Å; W759-E785 PolarHBondContact NE1-OE1 3.14Å; W759-E785 PolarHBondContact NE1-OE2 2.73Å; I781-E785 HydrophobicContact CG2-CG 4.47Å; I781-E785 WeakPolarHBondContact O-CG 3.42Å; I781-E785 PolarHBondContact O-N 3.24Å; V782-E785 PolarHBondContact O-N 3.31Å; L783-E785 PolarHBondContact O-N 2.93Å; E785-S788 CarbonylContact O-C 3.54Å; E785-S788 PolarHBondContact O-N 3.31Å; E785-H789 PolarHBondContact O-N 3.48Å; E785-G790 WeakPolarHBondContact O-CA 3.34Å; E785-G790 PolarHBondContact O-N 2.8Å |
| 786 | I | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.8 | -54.2 | 177 | -70.5 | 169.9 | 0 | 0 | 0 | 110.4 | L695 L721 V782 L783 W784 S788 H789 | L695-I786 HydrophobicContact CB-CG2 3.71Å; L695-I786 HydrophobicContact CD1-CG2 4.5Å; L695-I786 HydrophobicContact CD2-CG2 3.81Å; L695-I786 HydrophobicContact CG-CG2 4.18Å; L721-I786 HydrophobicContact CD1-CD1 4.2Å; L721-I786 HydrophobicContact CD1-CG1 3.5Å; V782-I786 HydrophobicContact CG1-CD1 3.96Å; V782-I786 HydrophobicContact CG1-CG1 4.4Å; V782-I786 WeakPolarHBondContact O-CG1 3.2Å; V782-I786 PolarHBondContact O-N 3.02Å; L783-I786 PolarHBondContact O-N 3.34Å; W784-I786 VanDerWaalsContact C-N 3.32Å; W784-I786 PolarHBondContact O-N 3.34Å; I786-S788 VanDerWaalsContact C-N 3.3Å; I786-S788 PolarHBondContact O-N 3.36Å; I786-H789 PolarHBondContact O-N 3.18Å; I786-H789 VanDerWaalsContact O-N 3.12Å |
| 787 | F | 91.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -78 | -11.5 | -176.3 | -74.3 | -79 | 0 | 0 | 0 | 114 | L695 L696 L783 W784 H789 P816 H818 S848 M852 | L695-F787 HydrophobicContact CB-CD1 4.41Å; L695-F787 HydrophobicContact CB-CE1 4.01Å; L695-F787 HydrophobicContact CB-CZ 4.24Å; L695-F787 HydrophobicContact CD1-CD1 3.93Å; L695-F787 HydrophobicContact CD1-CE1 4.24Å; L696-F787 HydrophobicContact CD2-CZ 3.96Å; L696-F787 HydrophobicContact CG-CZ 4.29Å; L783-F787 VanDerWaalsContact O-CD2 3.3Å; L783-F787 WeakPolarHBondContact O-CD2 3.16Å; L783-F787 PolarHBondContact O-N 3.38Å; W784-F787 PolarHBondContact O-N 2.65Å; F787-H789 VanDerWaalsContact C-N 3.35Å; F787-P816 HydrophobicContact CB-CB 3.83Å; F787-P816 HydrophobicContact CB-CG 3.83Å; F787-P816 WeakPolarHBondContact O-CB 2.96Å; F787-H818 WeakPolarHBondContact O-CB 3.36Å; F787-S848 WeakPolarHBondContact CZ-OG 3.23Å; F787-M852 HydrophobicContact CB-CE 4.11Å; F787-M852 HydrophobicContact CD2-CE 3.49Å; F787-M852 VanDerWaalsContact CD2-CE 3.49Å; F787-M852 HydrophobicContact CE2-CE 4.27Å; F787-M852 HydrophobicContact CG-CE 4.08Å |
| 788 | S | 90.4 | Very high | 91.7 | Very high | 11 Ų | 11 | 32 Ų | 32 | 8% | 0.077 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 18.8 | 167.6 | -64.8 | 0 | 0 | 0 | 0 | 112.1 | W784 E785 I786 G790 T791 P816 | W784-S788 VanDerWaalsContact CE2-OG 3.26Å; W784-S788 WeakPolarHBondContact CZ2-OG 3.18Å; W784-S788 WeakPolarHBondContact O-CB 3.43Å; W784-S788 PolarHBondContact O-N 3.39Å; W784-S788 PolarHBondContact O-OG 3.33Å; E785-S788 CarbonylContact O-C 3.54Å; E785-S788 PolarHBondContact O-N 3.31Å; I786-S788 VanDerWaalsContact C-N 3.3Å; I786-S788 PolarHBondContact O-N 3.36Å; S788-G790 VanDerWaalsContact C-N 3.29Å; S788-G790 PolarHBondContact O-N 3.17Å; S788-T791 VanDerWaalsContact O-CB 3.29Å; S788-T791 WeakPolarHBondContact O-CB 3.31Å; S788-T791 PolarHBondContact O-N 2.97Å; S788-T791 PolarHBondContact O-OG1 3.18Å; S788-P816 VanDerWaalsContact OG-CB 3.22Å; S788-P816 WeakPolarHBondContact OG-CB 3.15Å |
| 789 | H | 90.2 | Very high | 90.9 | Very high | 22 Ų | 22 | 35.2 Ų | 35.2 | 10% | 0.102 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 40.4 | 175.4 | -62.1 | 172 | 0 | 0 | 0 | 114.2 | V621 R622 S625 F628 E785 I786 F787 H818 | V621-H789 HydrophobicContact CG1-CB 4.23Å; R622-H789 VanDerWaalsContact CG-O 3.28Å; R622-H789 WeakPolarHBondContact CG-O 3.48Å; S625-H789 WeakPolarHBondContact OG-CB 3.45Å; F628-H789 AromaticContact CD1-CE1 3.54Å; F628-H789 AromaticContact CD1-NE2 3.74Å; F628-H789 AromaticContact CD2-CE1 3.83Å; F628-H789 AromaticContact CD2-NE2 3.53Å; F628-H789 AromaticContact CE1-NE2 3.98Å; F628-H789 AromaticContact CE2-NE2 3.8Å; F628-H789 AromaticContact CG-CE1 3.33Å; F628-H789 WeakPolarHBondContact CG-CE1 3.38Å; F628-H789 AromaticContact CG-NE2 3.5Å; E785-H789 PolarHBondContact O-N 3.48Å; I786-H789 PolarHBondContact O-N 3.18Å; I786-H789 VanDerWaalsContact O-N 3.12Å; F787-H789 VanDerWaalsContact C-N 3.35Å; H789-H818 AromaticContact CD2-CD2 3.96Å; H789-H818 AromaticContact CE1-CD2 2.97Å; H789-H818 PolarHBondContact CE1-CD2 3.43Å; H789-H818 AromaticContact CE1-CE1 3.78Å; H789-H818 AromaticContact CE1-CG 3.22Å; H789-H818 AromaticContact CE1-ND1 3.73Å; H789-H818 AromaticContact CE1-NE2 3.34Å; H789-H818 PolarHBondContact CE1-NE2 2.89Å; H789-H818 VanDerWaalsContact CE1-NE2 3.34Å; H789-H818 AromaticContact CG-CD2 3.75Å; H789-H818 AromaticContact ND1-CD2 3.11Å; H789-H818 PolarHBondContact ND1-CD2 3.12Å; H789-H818 AromaticContact ND1-CG 3.86Å; H789-H818 AromaticContact ND1-NE2 3.32Å; H789-H818 PolarHBondContact ND1-NE2 3.21Å; H789-H818 AromaticContact NE2-CD2 3.5Å; H789-H818 AromaticContact NE2-CG 3.52Å |
| 790 | G | 89.1 | Confident | 90 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 17.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R622 E785 S788 | R622-G790 PolarHBondContact NE-O 2.75Å; R622-G790 PolarHBondContact NH2-O 3.38Å; E785-G790 WeakPolarHBondContact O-CA 3.34Å; E785-G790 PolarHBondContact O-N 2.8Å; S788-G790 VanDerWaalsContact C-N 3.29Å; S788-G790 PolarHBondContact O-N 3.17Å |
| 791 | T | 89.7 | Confident | 89.3 | Confident | 65 Ų | 65 | 44.2 Ų | 44.2 | 40% | 0.399 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -60.7 | 151.8 | 174.2 | -61.2 | 0 | 0 | 0 | 0 | 111.4 | W784 S788 T795 | W784-T791 HydrophobicContact CH2-CG2 4Å; W784-T791 HydrophobicContact CZ3-CG2 4.33Å; S788-T791 VanDerWaalsContact O-CB 3.29Å; S788-T791 WeakPolarHBondContact O-CB 3.31Å; S788-T791 PolarHBondContact O-N 2.97Å; S788-T791 PolarHBondContact O-OG1 3.18Å; T791-T795 HydrophobicContact CG2-CG2 4.44Å |
| 792 | I | 88.8 | Confident | 88.7 | Confident | 87 Ų | 87 | 52.1 Ų | 52.1 | 45% | 0.446 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -74 | 128.7 | 177.2 | -59.9 | 173.6 | 0 | 0 | 0 | 108.8 | T795 | I792-T795 HydrophobicContact CB-CG2 4.4Å; I792-T795 VanDerWaalsContact O-CG2 3.23Å; I792-T795 WeakPolarHBondContact O-CG2 3.35Å |
| 793 | P | 92 | Very high | 88.1 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | 150.6 | 178.7 | 26.3 | -34.3 | 0 | 0 | 0 | 112.1 | K758 W759 I781 W784 T795 L813 | K758-P793 HydrophobicContact CB-CG 4.2Å; K758-P793 VanDerWaalsContact CD-O 3.26Å; K758-P793 WeakPolarHBondContact CD-O 3.34Å; K758-P793 WeakPolarHBondContact CE-O 3.18Å; K758-P793 PolarHBondContact NZ-O 2.85Å; W759-P793 HydrophobicContact CD2-CG 4.32Å; W759-P793 HydrophobicContact CH2-CG 3.95Å; W759-P793 VanDerWaalsContact CZ2-CD 3.49Å; W759-P793 HydrophobicContact CZ2-CG 3.55Å; W759-P793 HydrophobicContact CZ3-CG 4.5Å; I781-P793 HydrophobicContact CG2-CB 3.93Å; I781-P793 HydrophobicContact CG2-CG 3.79Å; W784-P793 HydrophobicContact CE3-CB 4.12Å; W784-P793 HydrophobicContact CZ3-CB 4.09Å; P793-T795 VanDerWaalsContact C-N 3.33Å; P793-T795 PolarHBondContact O-N 2.88Å; P793-L813 HydrophobicContact CB-CD1 3.87Å; P793-L813 HydrophobicContact CB-CD2 4.13Å |
| 794 | Y | 90.3 | Very high | 87.7 | Confident | 10 Ų | 10 | 53.2 Ų | 53.2 | 4% | 0.039 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 44.6 | 174.8 | -54.2 | -77.3 | 0 | 0 | 0 | 112.9 | K758 I781 E796 H797 F803 W806 L807 L813 | K758-Y794 HydrophobicContact CB-CD2 4.08Å; K758-Y794 WeakPolarHBondContact CE-O 3.41Å; K758-Y794 HydrophobicContact CG-CD2 4.23Å; K758-Y794 PolarHBondContact NZ-O 2.86Å; K758-Y794 WeakPolarHBondContact O-CE2 3.38Å; I781-Y794 HydrophobicContact CD1-CE2 3.79Å; Y794-E796 PolarHBondContact O-N 2.83Å; Y794-E796 VanDerWaalsContact O-N 3.13Å; Y794-H797 PolarHBondContact O-N 2.89Å; Y794-H797 VanDerWaalsContact O-O 3.06Å; Y794-F803 AromaticContact CD1-CE2 3.7Å; Y794-F803 HydrophobicContact CD1-CE2 3.7Å; Y794-F803 HydrophobicContact CD1-CZ 4.25Å; Y794-F803 AromaticContact CD2-CE2 3.81Å; Y794-F803 HydrophobicContact CD2-CE2 3.81Å; Y794-F803 AromaticContact CD2-CZ 3.59Å; Y794-F803 HydrophobicContact CD2-CZ 3.59Å; Y794-F803 HydrophobicContact CE1-CE2 4.06Å; Y794-F803 HydrophobicContact CE1-CZ 4.36Å; Y794-F803 HydrophobicContact CE2-CE2 4.18Å; Y794-F803 AromaticContact CE2-CZ 3.73Å; Y794-F803 HydrophobicContact CE2-CZ 3.73Å; Y794-F803 AromaticContact CG-CE2 3.56Å; Y794-F803 HydrophobicContact CG-CE2 3.56Å; Y794-F803 AromaticContact CG-CZ 3.87Å; Y794-F803 HydrophobicContact CG-CZ 3.87Å; Y794-W806 HydrophobicContact CD1-CH2 4.36Å; Y794-W806 HydrophobicContact CD1-CZ3 4.03Å; Y794-W806 HydrophobicContact CE1-CH2 4.24Å; Y794-W806 AromaticContact CE1-CZ3 3.73Å; Y794-W806 HydrophobicContact CE1-CZ3 3.73Å; Y794-L807 HydrophobicContact CE1-CD2 4.09Å; Y794-L813 HydrophobicContact CD1-CD2 3.37Å; Y794-L813 HydrophobicContact CD1-CG 3.87Å; Y794-L813 HydrophobicContact CD2-CD1 4.47Å; Y794-L813 HydrophobicContact CD2-CD2 3.87Å; Y794-L813 HydrophobicContact CD2-CG 4.22Å; Y794-L813 HydrophobicContact CE1-CB 4.31Å; Y794-L813 HydrophobicContact CE1-CD1 4.48Å; Y794-L813 HydrophobicContact CE1-CD2 3.56Å; Y794-L813 HydrophobicContact CE1-CG 3.46Å; Y794-L813 VanDerWaalsContact CE1-CG 3.46Å; Y794-L813 HydrophobicContact CE2-CD1 4.01Å; Y794-L813 HydrophobicContact CE2-CD2 4.02Å; Y794-L813 HydrophobicContact CE2-CG 3.84Å; Y794-L813 HydrophobicContact CG-CD2 3.54Å; Y794-L813 HydrophobicContact CG-CG 4.23Å; Y794-L813 VanDerWaalsContact CZ-CG 3.45Å |
| 795 | T | 84.7 | Confident | 87.2 | Confident | 86 Ų | 86 | 59.1 Ų | 59.1 | 53% | 0.528 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -36.2 | -179.4 | 45.2 | 0 | 0 | 0 | 0 | 113 | T791 I792 P793 H797 | T791-T795 HydrophobicContact CG2-CG2 4.44Å; I792-T795 HydrophobicContact CB-CG2 4.4Å; I792-T795 VanDerWaalsContact O-CG2 3.23Å; I792-T795 WeakPolarHBondContact O-CG2 3.35Å; P793-T795 VanDerWaalsContact C-N 3.33Å; P793-T795 PolarHBondContact O-N 2.88Å; T795-H797 VanDerWaalsContact C-N 3.26Å; T795-H797 PolarHBondContact O-N 2.84Å |
| 796 | E | 84.6 | Confident | 87 | Confident | 166 Ų | 166 | 62.2 Ų | 62.2 | 78% | 0.776 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -12.8 | 178.5 | -55.4 | -60 | 159.4 | 0 | 0 | 114.6 | Y794 | Y794-E796 PolarHBondContact O-N 2.83Å; Y794-E796 VanDerWaalsContact O-N 3.13Å |
| 797 | H | 84.9 | Confident | 86.6 | Confident | 50 Ų | 50 | 62.2 Ų | 62.2 | 23% | 0.231 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -121.2 | 127.6 | -175.5 | -61.8 | -68 | 0 | 0 | 0 | 112.4 | K758 Y794 T795 F803 W806 | K758-H797 WeakPolarHBondContact CE-O 3.44Å; K758-H797 PolarHBondContact NZ-O 1.99Å; Y794-H797 PolarHBondContact O-N 2.89Å; Y794-H797 VanDerWaalsContact O-O 3.06Å; T795-H797 VanDerWaalsContact C-N 3.26Å; T795-H797 PolarHBondContact O-N 2.84Å; H797-F803 HydrophobicContact CB-CD2 3.7Å; H797-F803 HydrophobicContact CB-CE2 4.28Å; H797-W806 AromaticContact CE1-CD1 3.78Å; H797-W806 AromaticContact CE1-CD2 4Å; H797-W806 AromaticContact CE1-CE2 3.59Å; H797-W806 AromaticContact CE1-NE1 3.46Å; H797-W806 PolarHBondContact CE1-NE1 3.02Å; H797-W806 AromaticContact NE2-CD2 3.81Å; H797-W806 AromaticContact NE2-CE2 3.25Å; H797-W806 AromaticContact NE2-CH2 3.87Å; H797-W806 AromaticContact NE2-CZ2 3.27Å; H797-W806 VanDerWaalsContact NE2-CZ2 3.27Å; H797-W806 WeakPolarHBondContact NE2-CZ2 3.18Å; H797-W806 AromaticContact NE2-NE1 3.57Å |
| 798 | N | 82 | Confident | 86.3 | Confident | 143 Ų | 143 | 67.2 Ų | 67.2 | 77% | 0.765 | 34% | 0.342 | S | S | * | . | trans | -74.6 | 137.4 | 171 | -72 | -36.2 | 0 | 0 | 0 | 110.5 | G800 F803 | N798-G800 PolarHBondContact O-N 2.78Å; N798-F803 WeakPolarHBondContact O-CB 3.46Å | ||
| 799 | P | 80.5 | Confident | 86 | Confident | 74 Ų | 74 | 70.5 Ų | 70.5 | 48% | 0.481 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -65.1 | 126 | 176.1 | 28.2 | -33.5 | 0 | 0 | 0 | 110.3 | I757 | I757-P799 HydrophobicContact CB-CB 3.76Å; I757-P799 HydrophobicContact CD1-CB 3.85Å; I757-P799 HydrophobicContact CG1-CB 4.38Å; I757-P799 HydrophobicContact CG2-CB 3.7Å |
| 800 | G | 80.4 | Confident | 85.6 | Confident | 32 Ų | 32 | 71.4 Ų | 71.4 | 33% | 0.33 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 166.7 | -171.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | N798 E802 F803 V804 | N798-G800 PolarHBondContact O-N 2.78Å; G800-E802 VanDerWaalsContact C-N 3.31Å; G800-E802 PolarHBondContact O-N 3.26Å; G800-F803 WeakPolarHBondContact O-CB 3.43Å; G800-F803 PolarHBondContact O-N 3.09Å; G800-V804 PolarHBondContact O-N 2.9Å |
| 801 | E | 81.8 | Confident | 85.4 | Confident | 156 Ų | 156 | 74.6 Ų | 74.6 | 73% | 0.729 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61 | -37.4 | -178.6 | -68.2 | -172.6 | 179.2 | 0 | 0 | 113.2 | F803 V804 K805 | E801-F803 VanDerWaalsContact C-N 3.33Å; E801-F803 PolarHBondContact O-N 2.78Å; E801-V804 PolarHBondContact O-N 2.85Å; E801-K805 WeakPolarHBondContact O-CG 3.5Å; E801-K805 PolarHBondContact O-N 2.94Å |
| 802 | E | 84.8 | Confident | 85.4 | Confident | 166 Ų | 166 | 72.8 Ų | 72.8 | 78% | 0.776 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.3 | -40.2 | 177.3 | -65.4 | -168.1 | 149.9 | 0 | 0 | 111.8 | G800 V804 K805 W806 | G800-E802 VanDerWaalsContact C-N 3.31Å; G800-E802 PolarHBondContact O-N 3.26Å; E802-V804 VanDerWaalsContact C-N 3.35Å; E802-V804 PolarHBondContact O-N 3.48Å; E802-K805 PolarHBondContact O-N 3.49Å; E802-W806 WeakPolarHBondContact O-CB 3.01Å; E802-W806 PolarHBondContact O-N 2.85Å |
| 803 | F | 85.2 | Confident | 85.3 | Confident | 3 Ų | 3 | 69 Ų | 69 | 1% | 0.013 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 173.9 | 173.5 | -110.6 | 0 | 0 | 0 | 112 | I757 K758 Y794 H797 N798 G800 E801 W806 L807 | I757-F803 HydrophobicContact CG2-CD1 3.63Å; I757-F803 HydrophobicContact CG2-CE1 3.85Å; K758-F803 HydrophobicContact CG-CE1 4.48Å; K758-F803 HydrophobicContact CG-CZ 4.37Å; Y794-F803 AromaticContact CD1-CE2 3.7Å; Y794-F803 HydrophobicContact CD1-CE2 3.7Å; Y794-F803 HydrophobicContact CD1-CZ 4.25Å; Y794-F803 AromaticContact CD2-CE2 3.81Å; Y794-F803 HydrophobicContact CD2-CE2 3.81Å; Y794-F803 AromaticContact CD2-CZ 3.59Å; Y794-F803 HydrophobicContact CD2-CZ 3.59Å; Y794-F803 HydrophobicContact CE1-CE2 4.06Å; Y794-F803 HydrophobicContact CE1-CZ 4.36Å; Y794-F803 HydrophobicContact CE2-CE2 4.18Å; Y794-F803 AromaticContact CE2-CZ 3.73Å; Y794-F803 HydrophobicContact CE2-CZ 3.73Å; Y794-F803 AromaticContact CG-CE2 3.56Å; Y794-F803 HydrophobicContact CG-CE2 3.56Å; Y794-F803 AromaticContact CG-CZ 3.87Å; Y794-F803 HydrophobicContact CG-CZ 3.87Å; H797-F803 HydrophobicContact CB-CD2 3.7Å; H797-F803 HydrophobicContact CB-CE2 4.28Å; N798-F803 WeakPolarHBondContact O-CB 3.46Å; G800-F803 WeakPolarHBondContact O-CB 3.43Å; G800-F803 PolarHBondContact O-N 3.09Å; E801-F803 VanDerWaalsContact C-N 3.33Å; E801-F803 PolarHBondContact O-N 2.78Å; F803-W806 WeakPolarHBondContact O-CB 3.43Å; F803-W806 PolarHBondContact O-N 2.99Å; F803-L807 HydrophobicContact CD1-CD1 4.15Å; F803-L807 HydrophobicContact CE1-CD1 3.53Å; F803-L807 HydrophobicContact CE1-CG 4.28Å; F803-L807 HydrophobicContact CE2-CD1 4.17Å; F803-L807 HydrophobicContact CE2-CD2 4.31Å; F803-L807 HydrophobicContact CE2-CG 4.07Å; F803-L807 HydrophobicContact CZ-CD1 3.55Å; F803-L807 HydrophobicContact CZ-CD2 4.26Å; F803-L807 HydrophobicContact CZ-CG 3.96Å; F803-L807 WeakPolarHBondContact O-CG 3.41Å; F803-L807 PolarHBondContact O-N 3.3Å |
| 804 | V | 86.4 | Confident | 84.9 | Confident | 24 Ų | 24 | 72.2 Ų | 72.2 | 15% | 0.145 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 175.5 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | L765 G800 E801 E802 W806 L807 K808 | L765-V804 HydrophobicContact CB-CG1 4.33Å; L765-V804 HydrophobicContact CB-CG2 4.06Å; L765-V804 HydrophobicContact CD1-CG2 4.23Å; L765-V804 HydrophobicContact CD2-CG2 4.32Å; L765-V804 HydrophobicContact CG-CG2 4.44Å; G800-V804 PolarHBondContact O-N 2.9Å; E801-V804 PolarHBondContact O-N 2.85Å; E802-V804 VanDerWaalsContact C-N 3.35Å; E802-V804 PolarHBondContact O-N 3.48Å; V804-W806 VanDerWaalsContact C-N 3.34Å; V804-L807 PolarHBondContact O-N 2.82Å; V804-K808 HydrophobicContact CG1-CD 4.31Å; V804-K808 WeakPolarHBondContact O-CB 3.48Å; V804-K808 WeakPolarHBondContact O-CG 3.42Å; V804-K808 PolarHBondContact O-N 3.09Å |
| 805 | K | 85.1 | Confident | 84.3 | Confident | 141 Ų | 141 | 72.2 Ų | 72.2 | 61% | 0.613 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.6 | -43.1 | 174.7 | -72.5 | 175.7 | -176.7 | 171.5 | 0 | 111.3 | E801 E802 K808 S809 | E801-K805 WeakPolarHBondContact O-CG 3.5Å; E801-K805 PolarHBondContact O-N 2.94Å; E802-K805 PolarHBondContact O-N 3.49Å; K805-K808 PolarHBondContact O-N 3.36Å; K805-S809 PolarHBondContact O-N 2.99Å; K805-S809 VanDerWaalsContact O-N 3.12Å |
| 806 | W | 89.5 | Confident | 83.9 | Confident | 68 Ų | 68 | 68.3 Ų | 68.3 | 26% | 0.258 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 176.7 | -174.9 | 93.4 | 0 | 0 | 0 | 111.8 | Y794 H797 E802 F803 V804 K808 S809 N811 R812 | Y794-W806 HydrophobicContact CD1-CH2 4.36Å; Y794-W806 HydrophobicContact CD1-CZ3 4.03Å; Y794-W806 HydrophobicContact CE1-CH2 4.24Å; Y794-W806 AromaticContact CE1-CZ3 3.73Å; Y794-W806 HydrophobicContact CE1-CZ3 3.73Å; H797-W806 AromaticContact CE1-CD1 3.78Å; H797-W806 AromaticContact CE1-CD2 4Å; H797-W806 AromaticContact CE1-CE2 3.59Å; H797-W806 AromaticContact CE1-NE1 3.46Å; H797-W806 PolarHBondContact CE1-NE1 3.02Å; H797-W806 AromaticContact NE2-CD2 3.81Å; H797-W806 AromaticContact NE2-CE2 3.25Å; H797-W806 AromaticContact NE2-CH2 3.87Å; H797-W806 AromaticContact NE2-CZ2 3.27Å; H797-W806 VanDerWaalsContact NE2-CZ2 3.27Å; H797-W806 WeakPolarHBondContact NE2-CZ2 3.18Å; H797-W806 AromaticContact NE2-NE1 3.57Å; E802-W806 WeakPolarHBondContact O-CB 3.01Å; E802-W806 PolarHBondContact O-N 2.85Å; F803-W806 WeakPolarHBondContact O-CB 3.43Å; F803-W806 PolarHBondContact O-N 2.99Å; V804-W806 VanDerWaalsContact C-N 3.34Å; W806-K808 PolarHBondContact O-N 2.81Å; W806-S809 PolarHBondContact O-N 3.09Å; W806-S809 PolarHBondContact O-OG 2.98Å; W806-N811 HydrophobicContact CD2-CB 3.56Å; W806-N811 HydrophobicContact CE3-CB 3.67Å; W806-N811 HydrophobicContact CG-CB 4.37Å; W806-N811 HydrophobicContact CH2-CB 3.44Å; W806-N811 VanDerWaalsContact CH2-CB 3.44Å; W806-N811 HydrophobicContact CZ2-CB 3.32Å; W806-N811 HydrophobicContact CZ3-CB 3.59Å; W806-N811 PolarHBondContact NE1-ND2 3.02Å; W806-N811 VanDerWaalsContact NE1-ND2 3.14Å; W806-R812 WeakPolarHBondContact CH2-O 3.22Å |
| 807 | L | 87 | Confident | 83 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.2 | -41.4 | 174.7 | -74.2 | 177.7 | 0 | 0 | 0 | 112.8 | I762 L765 W777 Y794 F803 V804 S809 G810 R812 | I762-L807 HydrophobicContact CD1-CB 4.42Å; I762-L807 HydrophobicContact CG1-CB 4.26Å; L765-L807 HydrophobicContact CD1-CD1 3.88Å; W777-L807 HydrophobicContact CZ2-CD1 4.29Å; W777-L807 HydrophobicContact CZ2-CD2 4.22Å; Y794-L807 HydrophobicContact CE1-CD2 4.09Å; F803-L807 HydrophobicContact CD1-CD1 4.15Å; F803-L807 HydrophobicContact CE1-CD1 3.53Å; F803-L807 HydrophobicContact CE1-CG 4.28Å; F803-L807 HydrophobicContact CE2-CD1 4.17Å; F803-L807 HydrophobicContact CE2-CD2 4.31Å; F803-L807 HydrophobicContact CE2-CG 4.07Å; F803-L807 HydrophobicContact CZ-CD1 3.55Å; F803-L807 HydrophobicContact CZ-CD2 4.26Å; F803-L807 HydrophobicContact CZ-CG 3.96Å; F803-L807 WeakPolarHBondContact O-CG 3.41Å; F803-L807 PolarHBondContact O-N 3.3Å; V804-L807 PolarHBondContact O-N 2.82Å; L807-S809 PolarHBondContact O-N 2.92Å; L807-G810 PolarHBondContact O-N 3.02Å; L807-G810 VanDerWaalsContact O-N 3.12Å; L807-R812 PolarHBondContact O-NH1 3.13Å |
| 808 | K | 85.6 | Confident | 82 | Confident | 107 Ų | 107 | 67.6 Ų | 67.6 | 47% | 0.465 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.9 | -25.5 | 178.1 | -77.4 | -179.9 | 178.3 | -177.4 | 0 | 113.3 | I762 S766 V804 K805 W806 G810 | I762-K808 HydrophobicContact CG2-CG 3.9Å; S766-K808 WeakPolarHBondContact OG-CE 3.24Å; S766-K808 PolarHBondContact OG-NZ 2.92Å; V804-K808 HydrophobicContact CG1-CD 4.31Å; V804-K808 WeakPolarHBondContact O-CB 3.48Å; V804-K808 WeakPolarHBondContact O-CG 3.42Å; V804-K808 PolarHBondContact O-N 3.09Å; K805-K808 PolarHBondContact O-N 3.36Å; W806-K808 PolarHBondContact O-N 2.81Å; K808-G810 PolarHBondContact O-N 2.97Å |
| 809 | S | 83.7 | Confident | 80.7 | Confident | 80 Ų | 80 | 60.8 Ų | 60.8 | 56% | 0.559 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -2.9 | 175.5 | 74.2 | 0 | 0 | 0 | 0 | 114.2 | K805 W806 L807 N811 | K805-S809 PolarHBondContact O-N 2.99Å; K805-S809 VanDerWaalsContact O-N 3.12Å; W806-S809 PolarHBondContact O-N 3.09Å; W806-S809 PolarHBondContact O-OG 2.98Å; L807-S809 PolarHBondContact O-N 2.92Å; S809-N811 PolarHBondContact OG-ND2 2.8Å |
| 810 | G | 82 | Confident | 79.2 | Confident | 40 Ų | 40 | 58.1 Ų | 58.1 | 41% | 0.412 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 101.1 | -6.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L807 K808 R812 | L807-G810 PolarHBondContact O-N 3.02Å; L807-G810 VanDerWaalsContact O-N 3.12Å; K808-G810 PolarHBondContact O-N 2.97Å; G810-R812 VanDerWaalsContact C-NH1 3.35Å; G810-R812 PolarHBondContact O-NH1 3.23Å |
| 811 | N | 84.1 | Confident | 77 | Confident | 67 Ų | 67 | 60.8 Ų | 60.8 | 36% | 0.358 | 31% | 0.313 | S | S | . | . | trans | -68.3 | 146.1 | 178.4 | -59.1 | -34.5 | 0 | 0 | 0 | 112 | W806 S809 | W806-N811 HydrophobicContact CD2-CB 3.56Å; W806-N811 HydrophobicContact CE3-CB 3.67Å; W806-N811 HydrophobicContact CG-CB 4.37Å; W806-N811 HydrophobicContact CH2-CB 3.44Å; W806-N811 VanDerWaalsContact CH2-CB 3.44Å; W806-N811 HydrophobicContact CZ2-CB 3.32Å; W806-N811 HydrophobicContact CZ3-CB 3.59Å; W806-N811 PolarHBondContact NE1-ND2 3.02Å; W806-N811 VanDerWaalsContact NE1-ND2 3.14Å; S809-N811 PolarHBondContact OG-ND2 2.8Å | ||
| 812 | R | 89.1 | Confident | 74.7 | Confident | 28 Ų | 28 | 56.6 Ų | 56.6 | 11% | 0.106 | 29% | 0.293 | C | S | . | . | trans | -139.9 | 169.2 | -178.5 | -62.2 | -60.3 | -177.8 | -91.1 | 0.4 | 110.3 | W806 L807 G810 S814 W856 S858 | W806-R812 WeakPolarHBondContact CH2-O 3.22Å; L807-R812 PolarHBondContact O-NH1 3.13Å; G810-R812 VanDerWaalsContact C-NH1 3.35Å; G810-R812 PolarHBondContact O-NH1 3.23Å; R812-S814 PolarHBondContact O-N 3.37Å; R812-W856 HydrophobicContact CB-CE3 4.05Å; R812-W856 HydrophobicContact CG-CB 4.33Å; R812-W856 HydrophobicContact CG-CE3 4.43Å; R812-W856 VanDerWaalsContact CZ-O 3.27Å; R812-W856 PolarHBondContact NE-O 3.36Å; R812-W856 PolarHBondContact NH2-O 3.2Å; R812-S858 PolarHBondContact NH2-OG 2.91Å | ||
| 813 | L | 87.4 | Confident | 72.2 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -52.2 | 137.2 | 169.3 | -73.9 | 168 | 0 | 0 | 0 | 109.7 | I781 W784 P793 Y794 Y849 W856 | I781-L813 HydrophobicContact CD1-CD1 3.56Å; W784-L813 HydrophobicContact CB-CD1 4Å; W784-L813 HydrophobicContact CD2-CD1 3.68Å; W784-L813 HydrophobicContact CD2-CD2 4.47Å; W784-L813 HydrophobicContact CD2-CG 4.46Å; W784-L813 HydrophobicContact CE3-CD1 4.16Å; W784-L813 HydrophobicContact CG-CB 4.35Å; W784-L813 HydrophobicContact CG-CD1 3.57Å; W784-L813 HydrophobicContact CG-CG 4.45Å; W784-L813 HydrophobicContact CZ2-CD2 4.21Å; P793-L813 HydrophobicContact CB-CD1 3.87Å; P793-L813 HydrophobicContact CB-CD2 4.13Å; Y794-L813 HydrophobicContact CD1-CD2 3.37Å; Y794-L813 HydrophobicContact CD1-CG 3.87Å; Y794-L813 HydrophobicContact CD2-CD1 4.47Å; Y794-L813 HydrophobicContact CD2-CD2 3.87Å; Y794-L813 HydrophobicContact CD2-CG 4.22Å; Y794-L813 HydrophobicContact CE1-CB 4.31Å; Y794-L813 HydrophobicContact CE1-CD1 4.48Å; Y794-L813 HydrophobicContact CE1-CD2 3.56Å; Y794-L813 HydrophobicContact CE1-CG 3.46Å; Y794-L813 VanDerWaalsContact CE1-CG 3.46Å; Y794-L813 HydrophobicContact CE2-CD1 4.01Å; Y794-L813 HydrophobicContact CE2-CD2 4.02Å; Y794-L813 HydrophobicContact CE2-CG 3.84Å; Y794-L813 HydrophobicContact CG-CD2 3.54Å; Y794-L813 HydrophobicContact CG-CG 4.23Å; Y794-L813 VanDerWaalsContact CZ-CG 3.45Å; L813-Y849 WeakPolarHBondContact O-CE2 3.41Å; L813-Y849 PolarHBondContact O-OH 2.72Å; L813-W856 HydrophobicContact CB-CH2 3.73Å; L813-W856 HydrophobicContact CB-CZ2 4.47Å; L813-W856 HydrophobicContact CB-CZ3 3.97Å; L813-W856 HydrophobicContact CD1-CH2 3.91Å; L813-W856 HydrophobicContact CD1-CZ2 3.87Å; L813-W856 HydrophobicContact CG-CH2 4.32Å |
| 814 | S | 83.3 | Confident | 69.5 | Low | 68 Ų | 68 | 59.4 Ų | 59.4 | 48% | 0.476 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 161.7 | 166.3 | 57.8 | 0 | 0 | 0 | 0 | 109.9 | W784 R812 | W784-S814 PolarHBondContact NE1-O 3.26Å; R812-S814 PolarHBondContact O-N 3.37Å |
| 815 | Q | 77.3 | Confident | 66.7 | Low | 10 Ų | 10 | 63.3 Ų | 63.3 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 141.3 | 174.3 | -174.4 | -175.9 | 31.7 | 0 | 0 | 113.3 | S819 P820 E822 Y849 | Q815-S819 VanDerWaalsContact CD-OG 3.31Å; Q815-S819 WeakPolarHBondContact CG-OG 3.39Å; Q815-S819 PolarHBondContact NE2-OG 3.46Å; Q815-P820 PolarHBondContact NE2-O 2.98Å; Q815-E822 VanDerWaalsContact CD-CB 3.5Å; Q815-Y849 VanDerWaalsContact CA-CE2 3.47Å; Q815-Y849 HydrophobicContact CB-CD1 4.13Å; Q815-Y849 HydrophobicContact CB-CD2 3.95Å; Q815-Y849 HydrophobicContact CB-CE1 4.2Å; Q815-Y849 HydrophobicContact CB-CE2 4.01Å; Q815-Y849 HydrophobicContact CB-CG 3.98Å; Q815-Y849 HydrophobicContact CG-CD1 4.27Å; Q815-Y849 HydrophobicContact CG-CD2 4.07Å; Q815-Y849 HydrophobicContact CG-CG 3.85Å |
| 816 | P | 78.2 | Confident | 63.9 | Low | 3 Ų | 3 | 62.7 Ų | 62.7 | 2% | 0.019 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 141.6 | 166.8 | -19.7 | 29.6 | 0 | 0 | 0 | 114.7 | W784 F787 S788 H818 S819 M852 | W784-P816 HydrophobicContact CG-CG 4Å; F787-P816 HydrophobicContact CB-CB 3.83Å; F787-P816 HydrophobicContact CB-CG 3.83Å; F787-P816 WeakPolarHBondContact O-CB 2.96Å; S788-P816 VanDerWaalsContact OG-CB 3.22Å; S788-P816 WeakPolarHBondContact OG-CB 3.15Å; P816-H818 PolarHBondContact O-N 2.92Å; P816-S819 WeakPolarHBondContact CD-OG 3.4Å; P816-S819 PolarHBondContact O-N 2.87Å; P816-S819 VanDerWaalsContact O-N 3.1Å; P816-S819 PolarHBondContact O-OG 3.27Å; P816-M852 HydrophobicContact CG-CE 4.17Å; P816-M852 HydrophobicContact CG-SD 4.2Å |
| 817 | D | 65.1 | Low | 61.1 | Low | 132 Ų | 132 | 64.8 Ų | 64.8 | 71% | 0.706 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -30.2 | 177 | -60.2 | -26.2 | 0 | 0 | 0 | 114.2 | ||
| 818 | H | 64.3 | Low | 58.4 | Low | 69 Ų | 69 | 75.4 Ų | 75.4 | 32% | 0.319 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 9.6 | 179.9 | -50.9 | -73.4 | 0 | 0 | 0 | 113.6 | F628 F787 H789 P816 | F628-H818 HydrophobicContact CD1-CB 4.33Å; F628-H818 AromaticContact CD1-ND1 3.9Å; F628-H818 HydrophobicContact CE1-CB 3.87Å; F628-H818 HydrophobicContact CZ-CB 4.41Å; F787-H818 WeakPolarHBondContact O-CB 3.36Å; H789-H818 AromaticContact CD2-CD2 3.96Å; H789-H818 AromaticContact CE1-CD2 2.97Å; H789-H818 PolarHBondContact CE1-CD2 3.43Å; H789-H818 AromaticContact CE1-CE1 3.78Å; H789-H818 AromaticContact CE1-CG 3.22Å; H789-H818 AromaticContact CE1-ND1 3.73Å; H789-H818 AromaticContact CE1-NE2 3.34Å; H789-H818 PolarHBondContact CE1-NE2 2.89Å; H789-H818 VanDerWaalsContact CE1-NE2 3.34Å; H789-H818 AromaticContact CG-CD2 3.75Å; H789-H818 AromaticContact ND1-CD2 3.11Å; H789-H818 PolarHBondContact ND1-CD2 3.12Å; H789-H818 AromaticContact ND1-CG 3.86Å; H789-H818 AromaticContact ND1-NE2 3.32Å; H789-H818 PolarHBondContact ND1-NE2 3.21Å; H789-H818 AromaticContact NE2-CD2 3.5Å; H789-H818 AromaticContact NE2-CG 3.52Å; P816-H818 PolarHBondContact O-N 2.92Å |
| 819 | S | 54.9 | Low | 55.9 | Low | 1 Ų | 1 | 78.5 Ų | 78.5 | 1% | 0.007 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -78 | 155.6 | 159.2 | 72.8 | 0 | 0 | 0 | 0 | 108.9 | Q815 P816 E821 | Q815-S819 VanDerWaalsContact CD-OG 3.31Å; Q815-S819 WeakPolarHBondContact CG-OG 3.39Å; Q815-S819 PolarHBondContact NE2-OG 3.46Å; P816-S819 WeakPolarHBondContact CD-OG 3.4Å; P816-S819 PolarHBondContact O-N 2.87Å; P816-S819 VanDerWaalsContact O-N 3.1Å; P816-S819 PolarHBondContact O-OG 3.27Å; S819-E821 PolarHBondContact O-N 2.69Å |
| 820 | P | 48 | Very low | 53.5 | Low | 17 Ų | 17 | 78.5 Ų | 78.5 | 11% | 0.11 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -56.1 | 105 | 176.9 | -17.8 | 27.4 | 0 | 0 | 0 | 110.4 | L632 Q815 E822 H846 | L632-P820 HydrophobicContact CD1-CB 3.79Å; L632-P820 HydrophobicContact CD1-CG 3.54Å; Q815-P820 PolarHBondContact NE2-O 2.98Å; P820-E822 PolarHBondContact O-N 2.7Å; P820-H846 PolarHBondContact O-ND1 2.85Å |
| 821 | E | 34.7 | Very low | 51.2 | Low | 88 Ų | 88 | 82.5 Ų | 82.5 | 41% | 0.411 | 42% | 0.419 | S | S | . | . | trans | -54.5 | 108 | -163.5 | -150.5 | -176.6 | -134.2 | 0 | 0 | 114.3 | F634 S819 I823 H846 | F634-E821 HydrophobicContact CE1-CB 3.93Å; F634-E821 HydrophobicContact CE2-CB 3.88Å; F634-E821 HydrophobicContact CZ-CB 3.26Å; F634-E821 HydrophobicContact CZ-CG 4.48Å; S819-E821 PolarHBondContact O-N 2.69Å; E821-I823 PolarHBondContact O-N 2.91Å; E821-H846 VanDerWaalsContact C-CE1 3.43Å; E821-H846 PolarHBondContact O-CE1 3.4Å; E821-H846 PolarHBondContact O-ND1 2.83Å; E821-H846 PolarHBondContact O-NE2 2.76Å | ||
| 822 | E | 32.5 | Very low | 48.9 | Very low | 68 Ų | 68 | 89.7 Ų | 89.7 | 32% | 0.318 | 44% | 0.441 | S | S | . | . | trans | -56.9 | 123.1 | 166 | -171.4 | -179.6 | -143.6 | 0 | 0 | 107.1 | Q815 P820 K824 H846 Y849 | Q815-E822 VanDerWaalsContact CD-CB 3.5Å; P820-E822 PolarHBondContact O-N 2.7Å; E822-K824 PolarHBondContact O-N 3.04Å; E822-H846 PolarHBondContact N-ND1 3.11Å; E822-Y849 WeakPolarHBondContact OE2-CD1 3.22Å; E822-Y849 WeakPolarHBondContact OE2-CE1 3.24Å | ||
| 823 | I | 32.4 | Very low | 46.2 | Very low | 78 Ų | 78 | 97.3 Ų | 97.3 | 40% | 0.4 | 48% | 0.475 | S | S | . | . | trans | -55.7 | 99.2 | 174 | -56.5 | 173 | 0 | 0 | 0 | 108.5 | L663 E821 L825 | L663-I823 HydrophobicContact CD2-CD1 4.36Å; E821-I823 PolarHBondContact O-N 2.91Å; I823-L825 VanDerWaalsContact C-N 3.31Å; I823-L825 HydrophobicContact CG2-CD1 4.49Å; I823-L825 HydrophobicContact CG2-CG 4.02Å; I823-L825 PolarHBondContact O-N 3Å | ||
| 824 | K | 29.2 | Very low | 43.7 | Very low | 151 Ų | 151 | 99.2 Ų | 99.2 | 66% | 0.657 | 49% | 0.489 | S | S | * | . | trans | -71.5 | 88.9 | 167.3 | -79.3 | -179.2 | -177.9 | 166.4 | 0 | 107.9 | E822 D826 | E822-K824 PolarHBondContact O-N 3.04Å; K824-D826 PolarHBondContact O-N 3.21Å | ||
| 825 | L | 28.1 | Very low | 41.5 | Very low | 105 Ų | 105 | 101.4 Ų | 101.4 | 55% | 0.55 | 49% | 0.494 | S | S | . | . | trans | -69 | 126.8 | 162.7 | -80.6 | 159.8 | 0 | 0 | 0 | 108.3 | I823 S827 F838 | I823-L825 VanDerWaalsContact C-N 3.31Å; I823-L825 HydrophobicContact CG2-CD1 4.49Å; I823-L825 HydrophobicContact CG2-CG 4.02Å; I823-L825 PolarHBondContact O-N 3Å; L825-S827 PolarHBondContact O-N 2.77Å; L825-F838 HydrophobicContact CD1-CE2 3.63Å; L825-F838 HydrophobicContact CD1-CZ 3.9Å | ||
| 826 | D | 25.5 | Very low | 39.3 | Very low | 128 Ų | 128 | 107.9 Ų | 107.9 | 68% | 0.684 | 53% | 0.529 | S | S | * | . | trans | -55 | 121.3 | -173.1 | -165.5 | -2.5 | 0 | 0 | 0 | 111.3 | K824 R828 | K824-D826 PolarHBondContact O-N 3.21Å; D826-R828 PolarHBondContact O-N 2.92Å | ||
| 827 | S | 31.4 | Very low | 37 | Very low | 113 Ų | 113 | 114.1 Ų | 114.1 | 79% | 0.79 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 14.6 | -165 | 58.6 | 0 | 0 | 0 | 0 | 115.9 | L825 | L825-S827 PolarHBondContact O-N 2.77Š|
| 828 | R | 29.1 | Very low | 35.4 | Very low | 223 Ų | 223 | 111.8 Ų | 111.8 | 84% | 0.842 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -10.8 | -176.7 | -69.1 | -168.2 | -175.3 | -173.9 | 4.1 | 115.7 | D826 | D826-R828 PolarHBondContact O-N 2.92Š|
| 829 | E | 32.7 | Very low | 33.9 | Very low | 172 Ų | 172 | 111.5 Ų | 111.5 | 80% | 0.804 | 55% | 0.554 | S | S | * | * | trans | -145.5 | 78.1 | 180 | -79.8 | 179.9 | 146.2 | 0 | 0 | 112 | ||||
| 830 | V | 35.2 | Very low | 32.7 | Very low | 81 Ų | 81 | 114.9 Ų | 114.9 | 49% | 0.491 | 57% | 0.572 | S | S | . | * | trans | -141.3 | 106.9 | 161.2 | -170 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 831 | D | 33.3 | Very low | 31.9 | Very low | 123 Ų | 123 | 120 Ų | 120 | 66% | 0.658 | 60% | 0.603 | S | S | * | * | trans | -65.7 | 146.7 | 175.4 | -174.4 | 21.9 | 0 | 0 | 0 | 111.9 | K833 S834 | D831-K833 PolarHBondContact O-N 2.82Å; D831-S834 PolarHBondContact O-N 3.08Å; D831-S834 VanDerWaalsContact O-N 3.16Å | ||
| 832 | R | 35.8 | Very low | 31.8 | Very low | 218 Ų | 218 | 119.5 Ų | 119.5 | 82% | 0.823 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -8.6 | -166.8 | -80.1 | 178.4 | 169.5 | 166 | -2.6 | 115.3 | ||
| 833 | K | 32.2 | Very low | 31.8 | Very low | 189 Ų | 189 | 118.6 Ų | 118.6 | 82% | 0.822 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -17.6 | 179.1 | -79.2 | -178.9 | 176.3 | 177.3 | 0 | 114.5 | D831 L835 | D831-K833 PolarHBondContact O-N 2.82Å; K833-L835 VanDerWaalsContact C-N 3.26Å; K833-L835 PolarHBondContact O-N 3.15Å |
| 834 | S | 35.4 | Very low | 31.8 | Very low | 47 Ų | 47 | 121.9 Ų | 121.9 | 33% | 0.329 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.9 | -11.2 | 175.9 | -56.6 | 0 | 0 | 0 | 0 | 113 | D831 L836 L837 F838 | D831-S834 PolarHBondContact O-N 3.08Å; D831-S834 VanDerWaalsContact O-N 3.16Å; S834-L836 VanDerWaalsContact C-N 3.28Å; S834-L836 PolarHBondContact O-N 3.46Å; S834-L837 PolarHBondContact O-N 2.93Å; S834-F838 WeakPolarHBondContact O-CB 3.34Å; S834-F838 PolarHBondContact O-N 3Å |
| 835 | L | 35.7 | Very low | 32.2 | Very low | 114 Ų | 114 | 118 Ų | 118 | 60% | 0.597 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -56.5 | -30.2 | -179 | -98.8 | 151.3 | 0 | 0 | 0 | 115.4 | K833 A839 | K833-L835 VanDerWaalsContact C-N 3.26Å; K833-L835 PolarHBondContact O-N 3.15Å; L835-A839 PolarHBondContact O-N 3.14Å |
| 836 | L | 31.7 | Very low | 33.2 | Very low | 146 Ų | 146 | 114.3 Ų | 114.3 | 76% | 0.764 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -82.9 | -36.1 | -173.8 | -164 | 69.7 | 0 | 0 | 0 | 112.6 | S834 | S834-L836 VanDerWaalsContact C-N 3.28Å; S834-L836 PolarHBondContact O-N 3.46Å |
| 837 | L | 29.7 | Very low | 34.8 | Very low | 133 Ų | 133 | 110.2 Ų | 110.2 | 70% | 0.696 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -80.4 | -29.2 | 174.7 | -162.2 | 66.7 | 0 | 0 | 0 | 111.1 | S834 A839 L840 T841 | S834-L837 PolarHBondContact O-N 2.93Å; L837-A839 VanDerWaalsContact C-N 3.26Å; L837-A839 PolarHBondContact O-N 3.12Å; L837-L840 PolarHBondContact O-N 2.79Å; L837-T841 PolarHBondContact O-OG1 3.28Å |
| 838 | F | 32.3 | Very low | 36.4 | Very low | 84 Ų | 84 | 105.1 Ų | 105.1 | 37% | 0.368 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -28.2 | 172.6 | -158.6 | -99.2 | 0 | 0 | 0 | 113.3 | L825 S834 L840 L842 | L825-F838 HydrophobicContact CD1-CE2 3.63Å; L825-F838 HydrophobicContact CD1-CZ 3.9Å; S834-F838 WeakPolarHBondContact O-CB 3.34Å; S834-F838 PolarHBondContact O-N 3Å; F838-L840 VanDerWaalsContact C-N 3.3Å; F838-L840 PolarHBondContact O-N 3.03Å; F838-L842 HydrophobicContact CD1-CD1 3.72Å; F838-L842 HydrophobicContact CE1-CD1 3.57Å; F838-L842 HydrophobicContact CZ-CD1 4.25Å; F838-L842 WeakPolarHBondContact O-CD1 3.36Å |
| 839 | A | 32.1 | Very low | 38.7 | Very low | 63 Ų | 63 | 95 Ų | 95 | 52% | 0.521 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -73.7 | -18.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L835 L837 | L835-A839 PolarHBondContact O-N 3.14Å; L837-A839 VanDerWaalsContact C-N 3.26Å; L837-A839 PolarHBondContact O-N 3.12Å |
| 840 | L | 30.6 | Very low | 40.8 | Very low | 71 Ų | 71 | 91.6 Ų | 91.6 | 37% | 0.372 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -100.9 | -27.9 | -169 | -68.8 | 170 | 0 | 0 | 0 | 113.6 | F104 L837 F838 | F104-L840 HydrophobicContact CZ-CD2 4.31Å; L837-L840 PolarHBondContact O-N 2.79Å; F838-L840 VanDerWaalsContact C-N 3.3Å; F838-L840 PolarHBondContact O-N 3.03Å |
| 841 | T | 30.5 | Very low | 43.2 | Very low | 126 Ų | 126 | 88.2 Ų | 88.2 | 77% | 0.773 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -93.6 | -4.1 | 178.8 | 37.5 | 0 | 0 | 0 | 0 | 114.8 | L837 L843 | L837-T841 PolarHBondContact O-OG1 3.28Å; T841-L843 VanDerWaalsContact C-N 3.34Å; T841-L843 PolarHBondContact O-N 2.72Å |
| 842 | L | 32.1 | Very low | 45.8 | Very low | 77 Ų | 77 | 82.3 Ų | 82.3 | 40% | 0.403 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -85.8 | 7.3 | 177.4 | -92.2 | 167.2 | 0 | 0 | 0 | 114.8 | F838 E844 | F838-L842 HydrophobicContact CD1-CD1 3.72Å; F838-L842 HydrophobicContact CE1-CD1 3.57Å; F838-L842 HydrophobicContact CZ-CD1 4.25Å; F838-L842 WeakPolarHBondContact O-CD1 3.36Å; L842-E844 PolarHBondContact O-N 3.27Å |
| 843 | L | 32.3 | Very low | 48.3 | Very low | 48 Ų | 48 | 77.2 Ų | 77.2 | 25% | 0.251 | 39% | 0.388 | S | S | . | . | trans | -85 | -6.2 | -161 | -85.7 | 157.3 | 0 | 0 | 0 | 116.9 | F104 T841 | F104-L843 HydrophobicContact CB-CD2 4.46Å; F104-L843 HydrophobicContact CD1-CD1 4.19Å; F104-L843 HydrophobicContact CD2-CD1 3.53Å; F104-L843 HydrophobicContact CD2-CD2 3.35Å; F104-L843 HydrophobicContact CD2-CG 4.06Å; F104-L843 HydrophobicContact CE1-CD1 3.8Å; F104-L843 HydrophobicContact CE2-CD1 3.08Å; F104-L843 HydrophobicContact CE2-CD2 3.71Å; F104-L843 HydrophobicContact CE2-CG 4.02Å; F104-L843 HydrophobicContact CG-CD1 4.05Å; F104-L843 HydrophobicContact CG-CD2 4.04Å; F104-L843 HydrophobicContact CZ-CD1 3.21Å; F104-L843 HydrophobicContact CZ-CG 4.49Å; T841-L843 VanDerWaalsContact C-N 3.34Å; T841-L843 PolarHBondContact O-N 2.72Å | ||
| 844 | E | 33.1 | Very low | 50.9 | Low | 147 Ų | 147 | 71.6 Ų | 71.6 | 69% | 0.687 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -106.1 | -15 | -169.7 | -65.7 | -157.3 | 145 | 0 | 0 | 117.8 | L842 | L842-E844 PolarHBondContact O-N 3.27Š|
| 845 | E | 36.9 | Very low | 53.5 | Low | 70 Ų | 70 | 69.3 Ų | 69.3 | 33% | 0.327 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -126.1 | -2.6 | -163.4 | -70.3 | -171.4 | 153.6 | 0 | 0 | 120.5 | ||
| 846 | H | 49.2 | Very low | 56.3 | Low | 27 Ų | 27 | 64 Ų | 64 | 13% | 0.125 | 32% | 0.321 | C | S | . | . | trans | -133.1 | 69.1 | -170.6 | -53.5 | -59.1 | 0 | 0 | 0 | 117 | P820 E821 E822 R850 | P820-H846 PolarHBondContact O-ND1 2.85Å; E821-H846 VanDerWaalsContact C-CE1 3.43Å; E821-H846 PolarHBondContact O-CE1 3.4Å; E821-H846 PolarHBondContact O-ND1 2.83Å; E821-H846 PolarHBondContact O-NE2 2.76Å; E822-H846 PolarHBondContact N-ND1 3.11Å; H846-R850 WeakPolarHBondContact O-CB 3.47Å; H846-R850 PolarHBondContact O-N 3.12Å | ||
| 847 | F | 58.7 | Low | 59 | Low | 42 Ų | 42 | 60.1 Ų | 60.1 | 18% | 0.184 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.6 | -53.3 | -170 | 175.5 | -83.7 | 0 | 0 | 0 | 115.8 | Y849 R850 L851 T872 I873 Q876 | F847-Y849 PolarHBondContact O-N 2.85Å; F847-R850 WeakPolarHBondContact O-CB 3.45Å; F847-R850 PolarHBondContact O-N 2.7Å; F847-L851 HydrophobicContact CE1-CD2 4.4Å; F847-L851 HydrophobicContact CZ-CD2 4.49Å; F847-L851 PolarHBondContact O-N 2.79Å; F847-T872 HydrophobicContact CD2-CG2 4.3Å; F847-T872 HydrophobicContact CE1-CG2 4.24Å; F847-T872 HydrophobicContact CE2-CG2 3.14Å; F847-T872 VanDerWaalsContact CE2-O 3.24Å; F847-T872 WeakPolarHBondContact CE2-O 3.3Å; F847-T872 HydrophobicContact CZ-CG2 3.08Å; F847-T872 WeakPolarHBondContact CZ-O 3.44Å; F847-I873 HydrophobicContact CE1-CG1 4.32Å; F847-Q876 HydrophobicContact CB-CG 3.8Å; F847-Q876 HydrophobicContact CD1-CB 4.16Å; F847-Q876 HydrophobicContact CD1-CG 3.07Å; F847-Q876 HydrophobicContact CD2-CG 3.45Å; F847-Q876 VanDerWaalsContact CD2-CG 3.45Å; F847-Q876 HydrophobicContact CE1-CB 4.22Å; F847-Q876 HydrophobicContact CE1-CG 3.34Å; F847-Q876 HydrophobicContact CE2-CG 3.64Å; F847-Q876 HydrophobicContact CG-CG 3.13Å; F847-Q876 HydrophobicContact CZ-CG 3.62Å |
| 848 | S | 65.4 | Low | 61.7 | Low | 6 Ų | 6 | 56.9 Ų | 56.9 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.9 | -42.1 | -165.3 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | F787 L851 M852 | F787-S848 WeakPolarHBondContact CZ-OG 3.23Å; S848-L851 PolarHBondContact O-N 3.47Å; S848-M852 VanDerWaalsContact O-CG 3.31Å; S848-M852 WeakPolarHBondContact O-CG 3.42Å; S848-M852 PolarHBondContact O-N 3.39Å; S848-M852 VanDerWaalsContact O-N 3.12Å |
| 849 | Y | 78 | Confident | 64.1 | Low | 10 Ų | 10 | 58.5 Ų | 58.5 | 4% | 0.039 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -72.2 | -33.2 | 177.3 | 179.8 | -109.7 | 0 | 0 | 0 | 112.6 | L813 Q815 E822 F847 L851 M852 R853 W856 | L813-Y849 WeakPolarHBondContact O-CE2 3.41Å; L813-Y849 PolarHBondContact O-OH 2.72Å; Q815-Y849 VanDerWaalsContact CA-CE2 3.47Å; Q815-Y849 HydrophobicContact CB-CD1 4.13Å; Q815-Y849 HydrophobicContact CB-CD2 3.95Å; Q815-Y849 HydrophobicContact CB-CE1 4.2Å; Q815-Y849 HydrophobicContact CB-CE2 4.01Å; Q815-Y849 HydrophobicContact CB-CG 3.98Å; Q815-Y849 HydrophobicContact CG-CD1 4.27Å; Q815-Y849 HydrophobicContact CG-CD2 4.07Å; Q815-Y849 HydrophobicContact CG-CG 3.85Å; E822-Y849 WeakPolarHBondContact OE2-CD1 3.22Å; E822-Y849 WeakPolarHBondContact OE2-CE1 3.24Å; F847-Y849 PolarHBondContact O-N 2.85Å; Y849-L851 VanDerWaalsContact C-N 3.33Å; Y849-L851 PolarHBondContact O-N 3.14Å; Y849-M852 HydrophobicContact CD2-CB 4.4Å; Y849-M852 HydrophobicContact CD2-SD 3.92Å; Y849-M852 WeakPolarHBondContact O-CB 3.16Å; Y849-M852 PolarHBondContact O-N 2.78Å; Y849-M852 VanDerWaalsContact O-N 3.17Å; Y849-R853 HydrophobicContact CD1-CG 4.06Å; Y849-R853 HydrophobicContact CD2-CG 4.49Å; Y849-R853 HydrophobicContact CE1-CG 3.66Å; Y849-R853 HydrophobicContact CE2-CG 4.15Å; Y849-R853 HydrophobicContact CG-CG 4.47Å; Y849-R853 WeakPolarHBondContact O-CG 3.07Å; Y849-R853 PolarHBondContact O-N 2.82Å; Y849-R853 PolarHBondContact OH-NH1 3.02Å; Y849-W856 HydrophobicContact CE2-CZ3 4.02Å |
| 850 | R | 75.8 | Confident | 66.6 | Low | 101 Ų | 101 | 57.1 Ų | 57.1 | 38% | 0.381 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 171.6 | -177.5 | 176.7 | 176.6 | 168.9 | 4.1 | 110.9 | H846 F847 M852 R853 H854 | H846-R850 WeakPolarHBondContact O-CB 3.47Å; H846-R850 PolarHBondContact O-N 3.12Å; F847-R850 WeakPolarHBondContact O-CB 3.45Å; F847-R850 PolarHBondContact O-N 2.7Å; R850-M852 VanDerWaalsContact C-N 3.33Å; R850-M852 PolarHBondContact O-N 3.44Å; R850-R853 WeakPolarHBondContact O-CB 3.42Å; R850-R853 PolarHBondContact O-N 3.19Å; R850-R853 VanDerWaalsContact O-N 3.17Å; R850-H854 WeakPolarHBondContact CG-CE1 3.49Å; R850-H854 PolarHBondContact NE-CE1 3.22Å; R850-H854 PolarHBondContact O-N 3.28Å; R850-H854 PolarHBondContact O-ND1 3.35Å |
| 851 | L | 85.7 | Confident | 69.2 | Low | 10 Ų | 10 | 59.8 Ų | 59.8 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 175 | 179.8 | 59.1 | 0 | 0 | 0 | 111.5 | L783 F847 S848 Y849 R853 H854 C855 P864 C869 T872 I873 | L783-L851 HydrophobicContact CD1-CD2 3.82Å; L783-L851 HydrophobicContact CD1-CG 3.94Å; F847-L851 HydrophobicContact CE1-CD2 4.4Å; F847-L851 HydrophobicContact CZ-CD2 4.49Å; F847-L851 PolarHBondContact O-N 2.79Å; S848-L851 PolarHBondContact O-N 3.47Å; Y849-L851 VanDerWaalsContact C-N 3.33Å; Y849-L851 PolarHBondContact O-N 3.14Å; L851-R853 VanDerWaalsContact C-N 3.32Å; L851-R853 PolarHBondContact O-N 3.03Å; L851-H854 PolarHBondContact O-N 2.89Å; L851-C855 PolarHBondContact O-N 3.48Å; L851-C855 PolarHBondContact O-SG 3.49Å; L851-P864 HydrophobicContact CD1-CG 4.34Å; L851-C869 HydrophobicContact CD1-CB 4.47Å; L851-T872 HydrophobicContact CD1-CG2 4.1Å; L851-T872 HydrophobicContact CD2-CG2 4.29Å; L851-I873 HydrophobicContact CD2-CD1 3.79Å; L851-I873 HydrophobicContact CD2-CG1 3.56Å |
| 852 | M | 89.6 | Confident | 71.8 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.1 | -46.1 | 173.5 | -62.7 | 166.6 | -157 | 0 | 0 | 111.5 | L783 W784 F787 P816 S848 Y849 R850 H854 C855 W856 | L783-M852 HydrophobicContact CB-CE 3.86Å; L783-M852 HydrophobicContact CB-CG 3.64Å; L783-M852 HydrophobicContact CB-SD 4.37Å; L783-M852 HydrophobicContact CD1-CG 4.13Å; W784-M852 HydrophobicContact CB-SD 4Å; F787-M852 HydrophobicContact CB-CE 4.11Å; F787-M852 HydrophobicContact CD2-CE 3.49Å; F787-M852 VanDerWaalsContact CD2-CE 3.49Å; F787-M852 HydrophobicContact CE2-CE 4.27Å; F787-M852 HydrophobicContact CG-CE 4.08Å; P816-M852 HydrophobicContact CG-CE 4.17Å; P816-M852 HydrophobicContact CG-SD 4.2Å; S848-M852 VanDerWaalsContact O-CG 3.31Å; S848-M852 WeakPolarHBondContact O-CG 3.42Å; S848-M852 PolarHBondContact O-N 3.39Å; S848-M852 VanDerWaalsContact O-N 3.12Å; Y849-M852 HydrophobicContact CD2-CB 4.4Å; Y849-M852 HydrophobicContact CD2-SD 3.92Å; Y849-M852 WeakPolarHBondContact O-CB 3.16Å; Y849-M852 PolarHBondContact O-N 2.78Å; Y849-M852 VanDerWaalsContact O-N 3.17Å; R850-M852 VanDerWaalsContact C-N 3.33Å; R850-M852 PolarHBondContact O-N 3.44Å; M852-H854 PolarHBondContact O-N 3.15Å; M852-C855 WeakPolarHBondContact O-CB 3.41Å; M852-C855 PolarHBondContact O-N 2.93Å; M852-W856 HydrophobicContact CB-CE3 4.24Å; M852-W856 HydrophobicContact CB-CH2 3.58Å; M852-W856 HydrophobicContact CB-CZ2 3.92Å; M852-W856 HydrophobicContact CB-CZ3 3.75Å; M852-W856 HydrophobicContact CG-CH2 4.26Å; M852-W856 HydrophobicContact CG-CZ2 4.49Å; M852-W856 VanDerWaalsContact O-CG 3.28Å; M852-W856 PolarHBondContact O-N 3.09Å; M852-W856 HydrophobicContact SD-CH2 4.29Å |
| 853 | R | 87.8 | Confident | 74.5 | Confident | 110 Ų | 110 | 54.7 Ų | 54.7 | 42% | 0.415 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63 | -37.3 | 177.6 | -70.1 | -69.6 | -64.9 | -105.6 | -4.7 | 113.1 | Y849 R850 L851 W856 L857 | Y849-R853 HydrophobicContact CD1-CG 4.06Å; Y849-R853 HydrophobicContact CD2-CG 4.49Å; Y849-R853 HydrophobicContact CE1-CG 3.66Å; Y849-R853 HydrophobicContact CE2-CG 4.15Å; Y849-R853 HydrophobicContact CG-CG 4.47Å; Y849-R853 WeakPolarHBondContact O-CG 3.07Å; Y849-R853 PolarHBondContact O-N 2.82Å; Y849-R853 PolarHBondContact OH-NH1 3.02Å; R850-R853 WeakPolarHBondContact O-CB 3.42Å; R850-R853 PolarHBondContact O-N 3.19Å; R850-R853 VanDerWaalsContact O-N 3.17Å; L851-R853 VanDerWaalsContact C-N 3.32Å; L851-R853 PolarHBondContact O-N 3.03Å; R853-W856 CarbonylContact O-C 3.51Å; R853-W856 PolarHBondContact O-N 3.32Å; R853-L857 PolarHBondContact O-N 3.3Å |
| 854 | H | 86 | Confident | 77.1 | Confident | 71 Ų | 71 | 53.6 Ų | 53.6 | 33% | 0.329 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68 | -38 | 174.3 | -73.6 | 69.5 | 0 | 0 | 0 | 111.5 | R850 L851 M852 W856 L857 P864 | R850-H854 WeakPolarHBondContact CG-CE1 3.49Å; R850-H854 PolarHBondContact NE-CE1 3.22Å; R850-H854 PolarHBondContact O-N 3.28Å; R850-H854 PolarHBondContact O-ND1 3.35Å; L851-H854 PolarHBondContact O-N 2.89Å; M852-H854 PolarHBondContact O-N 3.15Å; H854-W856 PolarHBondContact O-N 3.03Å; H854-L857 WeakPolarHBondContact O-CG 3.37Å; H854-L857 PolarHBondContact O-N 2.87Å; H854-P864 HydrophobicContact CB-CG 4.38Å; H854-P864 WeakPolarHBondContact O-CD 3.4Å |
| 855 | C | 90.5 | Very high | 79.9 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.8 | -27.7 | 172.8 | -65.6 | 0 | 0 | 0 | 0 | 112.5 | V776 W777 L851 M852 R863 | V776-C855 HydrophobicContact CG1-CB 4.07Å; V776-C855 WeakPolarHBondContact O-CB 3.44Å; W777-C855 WeakPolarHBondContact CA-O 3.45Å; L851-C855 PolarHBondContact O-N 3.48Å; L851-C855 PolarHBondContact O-SG 3.49Å; M852-C855 WeakPolarHBondContact O-CB 3.41Å; M852-C855 PolarHBondContact O-N 2.93Å; C855-R863 VanDerWaalsContact O-CD 3.25Å; C855-R863 WeakPolarHBondContact O-CD 3.5Å |
| 856 | W | 94.2 | Very high | 82.8 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 19.6 | 179.3 | -51.2 | -40.4 | 0 | 0 | 0 | 114.8 | W777 G780 I781 W784 R812 L813 Y849 M852 R853 H854 S858 | W777-W856 HydrophobicContact CD2-CB 4.5Å; W777-W856 AromaticContact CD2-CD1 3.83Å; W777-W856 AromaticContact CE2-CD1 3.97Å; W777-W856 HydrophobicContact CE3-CB 4.14Å; W777-W856 HydrophobicContact CH2-CB 4.22Å; W777-W856 HydrophobicContact CZ3-CB 4Å; W777-W856 VanDerWaalsContact CZ3-O 3.32Å; W777-W856 WeakPolarHBondContact CZ3-O 3.34Å; W777-W856 PolarHBondContact O-NE1 3.16Å; G780-W856 VanDerWaalsContact C-NE1 3.35Å; G780-W856 WeakPolarHBondContact O-CZ2 3.48Å; I781-W856 HydrophobicContact CD1-CZ2 3.76Å; W784-W856 HydrophobicContact CB-CH2 4.02Å; W784-W856 HydrophobicContact CB-CZ2 4.04Å; W784-W856 AromaticContact CD1-CH2 3.98Å; W784-W856 HydrophobicContact CG-CH2 4.28Å; R812-W856 HydrophobicContact CB-CE3 4.05Å; R812-W856 HydrophobicContact CG-CB 4.33Å; R812-W856 HydrophobicContact CG-CE3 4.43Å; R812-W856 VanDerWaalsContact CZ-O 3.27Å; R812-W856 PolarHBondContact NE-O 3.36Å; R812-W856 PolarHBondContact NH2-O 3.2Å; L813-W856 HydrophobicContact CB-CH2 3.73Å; L813-W856 HydrophobicContact CB-CZ2 4.47Å; L813-W856 HydrophobicContact CB-CZ3 3.97Å; L813-W856 HydrophobicContact CD1-CH2 3.91Å; L813-W856 HydrophobicContact CD1-CZ2 3.87Å; L813-W856 HydrophobicContact CG-CH2 4.32Å; Y849-W856 HydrophobicContact CE2-CZ3 4.02Å; M852-W856 HydrophobicContact CB-CE3 4.24Å; M852-W856 HydrophobicContact CB-CH2 3.58Å; M852-W856 HydrophobicContact CB-CZ2 3.92Å; M852-W856 HydrophobicContact CB-CZ3 3.75Å; M852-W856 HydrophobicContact CG-CH2 4.26Å; M852-W856 HydrophobicContact CG-CZ2 4.49Å; M852-W856 VanDerWaalsContact O-CG 3.28Å; M852-W856 PolarHBondContact O-N 3.09Å; M852-W856 HydrophobicContact SD-CH2 4.29Å; R853-W856 CarbonylContact O-C 3.51Å; R853-W856 PolarHBondContact O-N 3.32Å; H854-W856 PolarHBondContact O-N 3.03Å; W856-S858 PolarHBondContact O-N 3.26Å |
| 857 | L | 88.8 | Confident | 84.8 | Confident | 64 Ų | 64 | 47.2 Ų | 47.2 | 34% | 0.335 | 23% | 0.234 | S | C | . | . | trans | -60.4 | 139.4 | 171.4 | -70.5 | 169.3 | 0 | 0 | 0 | 110.5 | R853 H854 K859 D862 R863 | R853-L857 PolarHBondContact O-N 3.3Å; H854-L857 WeakPolarHBondContact O-CG 3.37Å; H854-L857 PolarHBondContact O-N 2.87Å; L857-K859 VanDerWaalsContact C-N 3.31Å; L857-K859 PolarHBondContact O-N 2.9Å; L857-D862 HydrophobicContact CB-CB 4.27Å; L857-D862 HydrophobicContact CD1-CB 3.97Å; L857-D862 VanDerWaalsContact CD1-O 3.31Å; L857-D862 WeakPolarHBondContact CD1-O 3.43Å; L857-R863 HydrophobicContact CB-CG 4.13Å; L857-R863 PolarHBondContact O-NE 3.05Å; L857-R863 PolarHBondContact O-NH2 2.98Å | ||
| 858 | S | 85.8 | Confident | 86.2 | Confident | 65 Ų | 65 | 46.7 Ų | 46.7 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -62.8 | -37.7 | -171.5 | -63.4 | 0 | 0 | 0 | 0 | 112.6 | R812 W856 R863 | R812-S858 PolarHBondContact NH2-OG 2.91Å; W856-S858 PolarHBondContact O-N 3.26Å; S858-R863 PolarHBondContact O-NH2 3.34Å |
| 859 | K | 82.4 | Confident | 87.4 | Confident | 119 Ų | 119 | 46.4 Ų | 46.4 | 52% | 0.517 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -86 | 127.1 | 175.8 | -68.1 | -175.2 | 179.8 | -179.6 | 0 | 110.5 | L857 E861 D862 | L857-K859 VanDerWaalsContact C-N 3.31Å; L857-K859 PolarHBondContact O-N 2.9Å; K859-E861 VanDerWaalsContact C-N 3.27Å; K859-E861 HydrophobicContact CB-CG 4.3Å; K859-E861 PolarHBondContact O-N 3.08Å; K859-D862 HydrophobicContact CB-CB 4.36Å; K859-D862 WeakPolarHBondContact CB-OD2 3.2Å; K859-D862 WeakPolarHBondContact CD-OD2 3.18Å; K859-D862 PolarHBondContact O-N 2.92Å |
| 860 | P | 84.3 | Confident | 88.1 | Confident | 33 Ų | 33 | 48.9 Ų | 48.9 | 21% | 0.214 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -57.9 | -36 | 178.9 | -25.7 | 35 | 0 | 0 | 0 | 114.1 | E763 K773 D862 R863 | E763-P860 HydrophobicContact CG-CG 4.07Å; K773-P860 HydrophobicContact CB-CB 3.77Å; K773-P860 VanDerWaalsContact CD-O 3.31Å; K773-P860 WeakPolarHBondContact CD-O 3.35Å; K773-P860 HydrophobicContact CG-CB 4.36Å; K773-P860 WeakPolarHBondContact CG-O 3.17Å; P860-D862 VanDerWaalsContact C-N 3.31Å; P860-D862 PolarHBondContact O-N 3.4Å; P860-R863 WeakPolarHBondContact O-CB 3.3Å; P860-R863 PolarHBondContact O-N 3.35Å |
| 861 | E | 86.4 | Confident | 88.6 | Confident | 128 Ų | 128 | 49.8 Ų | 49.8 | 60% | 0.598 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -66.9 | -27.6 | -179.3 | 59.9 | -90.5 | -150.3 | 0 | 0 | 114 | K859 R863 | K859-E861 VanDerWaalsContact C-N 3.27Å; K859-E861 HydrophobicContact CB-CG 4.3Å; K859-E861 PolarHBondContact O-N 3.08Å; E861-R863 VanDerWaalsContact C-N 3.34Å |
| 862 | D | 84.2 | Confident | 88.4 | Confident | 92 Ų | 92 | 51.6 Ų | 51.6 | 49% | 0.492 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -82.4 | -14.7 | 179.7 | -63.1 | -24.5 | 0 | 0 | 0 | 112.4 | L857 K859 P860 | L857-D862 HydrophobicContact CB-CB 4.27Å; L857-D862 HydrophobicContact CD1-CB 3.97Å; L857-D862 VanDerWaalsContact CD1-O 3.31Å; L857-D862 WeakPolarHBondContact CD1-O 3.43Å; K859-D862 HydrophobicContact CB-CB 4.36Å; K859-D862 WeakPolarHBondContact CB-OD2 3.2Å; K859-D862 WeakPolarHBondContact CD-OD2 3.18Å; K859-D862 PolarHBondContact O-N 2.92Å; P860-D862 VanDerWaalsContact C-N 3.31Å; P860-D862 PolarHBondContact O-N 3.4Å |
| 863 | R | 89 | Confident | 88.3 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -71.3 | 148.9 | 178.5 | -60.6 | 173.7 | -166.2 | 154.4 | 11.2 | 109.7 | E763 K773 V776 C855 L857 S858 P860 E861 | E763-R863 IonicContact OE1-CZ 3.66Å; E763-R863 IonicContact OE1-NH1 3.59Å; E763-R863 PolarHBondContact OE1-NH1 2.87Å; E763-R863 IonicContact OE1-NH2 3.54Å; E763-R863 IonicContact OE2-CZ 2.81Å; E763-R863 IonicContact OE2-NH1 3.51Å; E763-R863 PolarHBondContact OE2-NH1 2.73Å; E763-R863 IonicContact OE2-NH2 3.43Å; E763-R863 PolarHBondContact OE2-NH2 3.27Å; K773-R863 HydrophobicContact CD-CB 4.3Å; K773-R863 PolarHBondContact NZ-O 3.1Å; K773-R863 PolarHBondContact O-NH1 3.08Å; V776-R863 HydrophobicContact CG1-CB 4.08Å; C855-R863 VanDerWaalsContact O-CD 3.25Å; C855-R863 WeakPolarHBondContact O-CD 3.5Å; L857-R863 HydrophobicContact CB-CG 4.13Å; L857-R863 PolarHBondContact O-NE 3.05Å; L857-R863 PolarHBondContact O-NH2 2.98Å; S858-R863 PolarHBondContact O-NH2 3.34Å; P860-R863 WeakPolarHBondContact O-CB 3.3Å; P860-R863 PolarHBondContact O-N 3.35Å; E861-R863 VanDerWaalsContact C-N 3.34Å |
| 864 | P | 88 | Confident | 88.2 | Confident | 25 Ų | 25 | 47.2 Ų | 47.2 | 16% | 0.162 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 163.3 | 172.8 | 27.3 | -34.8 | 0 | 0 | 0 | 111.3 | K773 V776 L851 H854 A868 C869 | K773-P864 PolarHBondContact NZ-O 2.78Å; V776-P864 HydrophobicContact CG1-CG 4.23Å; L851-P864 HydrophobicContact CD1-CG 4.34Å; H854-P864 HydrophobicContact CB-CG 4.38Å; H854-P864 WeakPolarHBondContact O-CD 3.4Å; P864-A868 HydrophobicContact CB-CB 4.12Å; P864-C869 VanDerWaalsContact CG-SG 3.59Å |
| 865 | D | 92 | Very high | 87.8 | Confident | 78 Ų | 78 | 48.9 Ų | 48.9 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -89.6 | 171.4 | 162 | 63.6 | 18.1 | 0 | 0 | 0 | 110.5 | A867 A868 C869 | D865-A867 VanDerWaalsContact C-N 3.26Å; D865-A867 PolarHBondContact O-N 3.47Å; D865-A867 PolarHBondContact OD1-N 2.83Å; D865-A868 PolarHBondContact O-N 2.55Å; D865-A868 VanDerWaalsContact OD1-CB 3.26Å; D865-A868 WeakPolarHBondContact OD1-CB 3.34Å; D865-A868 PolarHBondContact OD1-N 3.47Å; D865-C869 PolarHBondContact O-N 3.33Å; D865-C869 PolarHBondContact O-SG 2.88Å |
| 866 | F | 97.1 | Very high | 87.1 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.009 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.7 | -28.5 | -178.1 | -76.3 | -68.6 | 0 | 0 | 0 | 113 | M706 D707 A710 L719 V772 D775 V776 F779 C869 R870 | M706-F866 HydrophobicContact CB-CB 4.41Å; M706-F866 HydrophobicContact CB-CD1 3.39Å; M706-F866 HydrophobicContact CB-CD2 3.83Å; M706-F866 HydrophobicContact CB-CE1 3.37Å; M706-F866 HydrophobicContact CB-CE2 3.83Å; M706-F866 HydrophobicContact CB-CG 3.62Å; M706-F866 HydrophobicContact CB-CZ 3.61Å; M706-F866 HydrophobicContact CE-CE1 4.48Å; M706-F866 HydrophobicContact CE-CE2 3.81Å; M706-F866 HydrophobicContact CE-CZ 3.67Å; M706-F866 HydrophobicContact CG-CD1 4.26Å; M706-F866 HydrophobicContact CG-CE1 3.77Å; M706-F866 HydrophobicContact CG-CZ 3.92Å; D707-F866 HydrophobicContact CB-CB 3.84Å; A710-F866 HydrophobicContact CB-CD2 4.2Å; L719-F866 HydrophobicContact CD2-CZ 4.48Å; V772-F866 HydrophobicContact CG1-CD2 4.04Å; V772-F866 HydrophobicContact CG1-CE2 4Å; D775-F866 HydrophobicContact CB-CE2 4.1Å; D775-F866 HydrophobicContact CB-CZ 3.96Å; V776-F866 HydrophobicContact CB-CZ 4.47Å; V776-F866 HydrophobicContact CG2-CD2 4.03Å; V776-F866 HydrophobicContact CG2-CE1 4.26Å; V776-F866 HydrophobicContact CG2-CE2 3.7Å; V776-F866 HydrophobicContact CG2-CG 4.43Å; V776-F866 HydrophobicContact CG2-CZ 3.83Å; F779-F866 HydrophobicContact CB-CE1 3.59Å; F779-F866 HydrophobicContact CB-CZ 4.16Å; F779-F866 HydrophobicContact CD1-CE1 4.2Å; F779-F866 HydrophobicContact CD2-CE1 4.11Å; F779-F866 HydrophobicContact CG-CD1 4.38Å; F779-F866 AromaticContact CG-CE1 3.71Å; F779-F866 HydrophobicContact CG-CE1 3.71Å; F866-C869 PolarHBondContact O-N 2.99Å; F866-R870 WeakPolarHBondContact O-CB 3.17Å; F866-R870 PolarHBondContact O-N 2.76Å |
| 867 | A | 91.5 | Very high | 86.3 | Confident | 29 Ų | 29 | 50.7 Ų | 50.7 | 24% | 0.24 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.6 | -48.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D865 R870 E871 | D865-A867 VanDerWaalsContact C-N 3.26Å; D865-A867 PolarHBondContact O-N 3.47Å; D865-A867 PolarHBondContact OD1-N 2.83Å; A867-R870 PolarHBondContact O-N 3.48Å; A867-E871 PolarHBondContact O-N 3.41Å |
| 868 | A | 87.4 | Confident | 85.8 | Confident | 31 Ų | 31 | 49.5 Ų | 49.5 | 26% | 0.256 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P864 D865 R870 E871 T872 | P864-A868 HydrophobicContact CB-CB 4.12Å; D865-A868 PolarHBondContact O-N 2.55Å; D865-A868 VanDerWaalsContact OD1-CB 3.26Å; D865-A868 WeakPolarHBondContact OD1-CB 3.34Å; D865-A868 PolarHBondContact OD1-N 3.47Å; A868-R870 VanDerWaalsContact C-N 3.33Å; A868-R870 PolarHBondContact O-N 3.01Å; A868-E871 PolarHBondContact O-N 2.74Å; A868-T872 WeakPolarHBondContact O-CB 3.38Å; A868-T872 PolarHBondContact O-N 2.64Å; A868-T872 PolarHBondContact O-OG1 3.36Å |
| 869 | C | 90.9 | Very high | 85 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.8 | -47.6 | 173.5 | -70.1 | 0 | 0 | 0 | 0 | 111.7 | A703 F779 L851 P864 D865 F866 T872 I873 | A703-C869 HydrophobicContact CB-CB 4.4Å; F779-C869 HydrophobicContact CD1-CB 4.39Å; F779-C869 HydrophobicContact CE1-CB 3.69Å; F779-C869 HydrophobicContact CZ-CB 4.32Å; L851-C869 HydrophobicContact CD1-CB 4.47Å; P864-C869 VanDerWaalsContact CG-SG 3.59Å; D865-C869 PolarHBondContact O-N 3.33Å; D865-C869 PolarHBondContact O-SG 2.88Å; F866-C869 PolarHBondContact O-N 2.99Å; C869-T872 PolarHBondContact O-N 3.32Å; C869-I873 WeakPolarHBondContact O-CD1 3.3Å; C869-I873 VanDerWaalsContact O-CG1 3.23Å; C869-I873 WeakPolarHBondContact O-CG1 3.43Å; C869-I873 PolarHBondContact O-N 3Å |
| 870 | R | 93.2 | Very high | 84.4 | Confident | 63 Ų | 63 | 49.3 Ų | 49.3 | 24% | 0.238 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.8 | -48.6 | 179.3 | -178.6 | -176.8 | 63.6 | -148.2 | -17.7 | 111.6 | Y700 A703 N704 D707 F866 A867 A868 I873 A874 | Y700-R870 HydrophobicContact CD2-CG 3.67Å; Y700-R870 HydrophobicContact CE2-CG 3.27Å; A703-R870 HydrophobicContact CB-CB 3.83Å; N704-R870 WeakPolarHBondContact OD1-CD 3.43Å; N704-R870 PolarHBondContact OD1-NH1 2.88Å; D707-R870 IonicContact OD2-CZ 3.64Å; D707-R870 IonicContact OD2-NH1 3.55Å; D707-R870 PolarHBondContact OD2-NH1 3.43Å; D707-R870 IonicContact OD2-NH2 3.72Å; D707-R870 PolarHBondContact OD2-NH2 3.32Å; F866-R870 WeakPolarHBondContact O-CB 3.17Å; F866-R870 PolarHBondContact O-N 2.76Å; A867-R870 PolarHBondContact O-N 3.48Å; A868-R870 VanDerWaalsContact C-N 3.33Å; A868-R870 PolarHBondContact O-N 3.01Å; R870-I873 PolarHBondContact O-N 3.31Å; R870-A874 WeakPolarHBondContact O-CB 3.41Å; R870-A874 PolarHBondContact O-N 2.66Å |
| 871 | E | 86 | Confident | 83.7 | Confident | 120 Ų | 120 | 48.6 Ų | 48.6 | 56% | 0.561 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.2 | -45.6 | 180 | -179.4 | 174.4 | -162.3 | 0 | 0 | 111.7 | A867 A868 I873 A874 H875 | A867-E871 PolarHBondContact O-N 3.41Å; A868-E871 PolarHBondContact O-N 2.74Å; E871-I873 VanDerWaalsContact C-N 3.3Å; E871-I873 PolarHBondContact O-N 3.38Å; E871-A874 WeakPolarHBondContact O-CB 3.32Å; E871-A874 PolarHBondContact O-N 3.34Å; E871-H875 PolarHBondContact O-CD2 3.07Å; E871-H875 PolarHBondContact O-N 3.43Å |
| 872 | T | 81.8 | Confident | 83.1 | Confident | 48 Ų | 48 | 45.2 Ų | 45.2 | 29% | 0.294 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -53.7 | -52.9 | 176 | -57.2 | 0 | 0 | 0 | 0 | 107.4 | F847 L851 A868 C869 A874 H875 Q876 | F847-T872 HydrophobicContact CD2-CG2 4.3Å; F847-T872 HydrophobicContact CE1-CG2 4.24Å; F847-T872 HydrophobicContact CE2-CG2 3.14Å; F847-T872 VanDerWaalsContact CE2-O 3.24Å; F847-T872 WeakPolarHBondContact CE2-O 3.3Å; F847-T872 HydrophobicContact CZ-CG2 3.08Å; F847-T872 WeakPolarHBondContact CZ-O 3.44Å; L851-T872 HydrophobicContact CD1-CG2 4.1Å; L851-T872 HydrophobicContact CD2-CG2 4.29Å; A868-T872 WeakPolarHBondContact O-CB 3.38Å; A868-T872 PolarHBondContact O-N 2.64Å; A868-T872 PolarHBondContact O-OG1 3.36Å; C869-T872 PolarHBondContact O-N 3.32Å; T872-A874 PolarHBondContact O-N 3.25Å; T872-H875 PolarHBondContact O-N 3.46Å; T872-Q876 PolarHBondContact O-N 3.35Å |
| 873 | I | 87.9 | Confident | 82.7 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.5 | -38.4 | -178 | -63.3 | 160.8 | 0 | 0 | 0 | 111.8 | L696 A703 F779 L783 F847 L851 C869 R870 E871 H875 Q876 L877 | L696-I873 HydrophobicContact CD2-CG2 4.35Å; L696-I873 WeakPolarHBondContact O-CG2 3.34Å; A703-I873 HydrophobicContact CB-CD1 4.31Å; F779-I873 HydrophobicContact CE1-CD1 4.35Å; F779-I873 HydrophobicContact CZ-CD1 3.75Å; L783-I873 HydrophobicContact CD2-CD1 4.25Å; F847-I873 HydrophobicContact CE1-CG1 4.32Å; L851-I873 HydrophobicContact CD2-CD1 3.79Å; L851-I873 HydrophobicContact CD2-CG1 3.56Å; C869-I873 WeakPolarHBondContact O-CD1 3.3Å; C869-I873 VanDerWaalsContact O-CG1 3.23Å; C869-I873 WeakPolarHBondContact O-CG1 3.43Å; C869-I873 PolarHBondContact O-N 3Å; R870-I873 PolarHBondContact O-N 3.31Å; E871-I873 VanDerWaalsContact C-N 3.3Å; E871-I873 PolarHBondContact O-N 3.38Å; I873-H875 VanDerWaalsContact C-N 3.29Å; I873-H875 PolarHBondContact O-N 3.05Å; I873-Q876 PolarHBondContact O-N 2.74Å; I873-L877 WeakPolarHBondContact O-CB 2.98Å; I873-L877 PolarHBondContact O-N 2.87Å |
| 874 | A | 84.4 | Confident | 82.2 | Confident | 15 Ų | 15 | 44.8 Ų | 44.8 | 12% | 0.124 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.2 | -41.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y700 R870 E871 T872 Q876 L877 S878 F885 | Y700-A874 HydrophobicContact CD2-CB 4.02Å; Y700-A874 HydrophobicContact CE2-CB 3.79Å; R870-A874 WeakPolarHBondContact O-CB 3.41Å; R870-A874 PolarHBondContact O-N 2.66Å; E871-A874 WeakPolarHBondContact O-CB 3.32Å; E871-A874 PolarHBondContact O-N 3.34Å; T872-A874 PolarHBondContact O-N 3.25Å; A874-Q876 VanDerWaalsContact C-N 3.29Å; A874-Q876 PolarHBondContact O-N 2.76Å; A874-L877 PolarHBondContact O-N 3.34Å; A874-S878 WeakPolarHBondContact O-CB 3.23Å; A874-S878 PolarHBondContact O-N 2.76Å; A874-S878 PolarHBondContact O-OG 3.19Å; A874-F885 HydrophobicContact CB-CE1 4.24Å; A874-F885 HydrophobicContact CB-CE2 3.9Å; A874-F885 HydrophobicContact CB-CZ 3.52Å |
| 875 | H | 78 | Confident | 82.1 | Confident | 106 Ų | 106 | 45 Ų | 45 | 49% | 0.491 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.7 | -36.3 | 175.2 | -80 | -68.2 | 0 | 0 | 0 | 112.6 | E871 T872 I873 S878 R879 | E871-H875 PolarHBondContact O-CD2 3.07Å; E871-H875 PolarHBondContact O-N 3.43Å; T872-H875 PolarHBondContact O-N 3.46Å; I873-H875 VanDerWaalsContact C-N 3.29Å; I873-H875 PolarHBondContact O-N 3.05Å; H875-S878 WeakPolarHBondContact CA-OG 3.39Å; H875-S878 PolarHBondContact O-OG 2.7Å; H875-R879 WeakPolarHBondContact O-CB 3.44Å; H875-R879 VanDerWaalsContact O-CG 3.25Å; H875-R879 WeakPolarHBondContact O-CG 3.38Å; H875-R879 PolarHBondContact O-N 2.87Å; H875-R879 VanDerWaalsContact O-N 3.15Å |
| 876 | Q | 74.9 | Confident | 81.7 | Confident | 38 Ų | 38 | 46.1 Ų | 46.1 | 18% | 0.178 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -76.7 | -41.6 | 175.7 | -66.8 | -47.4 | -56 | 0 | 0 | 113.2 | L696 F847 T872 I873 A874 S878 R879 C880 | L696-Q876 HydrophobicContact CD1-CB 4.32Å; L696-Q876 HydrophobicContact CD2-CB 4.07Å; F847-Q876 HydrophobicContact CB-CG 3.8Å; F847-Q876 HydrophobicContact CD1-CB 4.16Å; F847-Q876 HydrophobicContact CD1-CG 3.07Å; F847-Q876 HydrophobicContact CD2-CG 3.45Å; F847-Q876 VanDerWaalsContact CD2-CG 3.45Å; F847-Q876 HydrophobicContact CE1-CB 4.22Å; F847-Q876 HydrophobicContact CE1-CG 3.34Å; F847-Q876 HydrophobicContact CE2-CG 3.64Å; F847-Q876 HydrophobicContact CG-CG 3.13Å; F847-Q876 HydrophobicContact CZ-CG 3.62Å; T872-Q876 PolarHBondContact O-N 3.35Å; I873-Q876 PolarHBondContact O-N 2.74Å; A874-Q876 VanDerWaalsContact C-N 3.29Å; A874-Q876 PolarHBondContact O-N 2.76Å; Q876-S878 VanDerWaalsContact C-N 3.26Å; Q876-S878 PolarHBondContact O-N 3.04Å; Q876-R879 PolarHBondContact O-N 2.98Å; Q876-C880 WeakPolarHBondContact O-CB 3.48Å; Q876-C880 PolarHBondContact O-N 2.68Å |
| 877 | L | 79.1 | Confident | 81 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 178.3 | -176.8 | 51.2 | 0 | 0 | 0 | 110.4 | T693 L696 I873 A874 N881 F885 L888 | T693-L877 HydrophobicContact CG2-CD1 3.75Å; L696-L877 HydrophobicContact CB-CB 4.26Å; L696-L877 HydrophobicContact CB-CD1 3.87Å; L696-L877 HydrophobicContact CB-CG 4.49Å; I873-L877 WeakPolarHBondContact O-CB 2.98Å; I873-L877 PolarHBondContact O-N 2.87Å; A874-L877 PolarHBondContact O-N 3.34Å; L877-N881 CarbonylContact O-C 3.59Å; L877-N881 WeakPolarHBondContact O-CA 3.15Å; L877-N881 PolarHBondContact O-N 2.77Å; L877-F885 HydrophobicContact CB-CD2 4.23Å; L877-F885 HydrophobicContact CD2-CD2 3.63Å; L877-F885 HydrophobicContact CD2-CE2 4.38Å; L877-F885 HydrophobicContact CD2-CG 4.47Å; L877-F885 HydrophobicContact CG-CB 4Å; L877-F885 HydrophobicContact CG-CD2 3.86Å; L877-F885 HydrophobicContact CG-CG 4.25Å; L877-L888 HydrophobicContact CD2-CD2 3.91Å |
| 878 | S | 77.8 | Confident | 80.9 | Confident | 39 Ų | 39 | 48 Ų | 48 | 27% | 0.273 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.8 | -37.3 | 173.8 | 58.6 | 0 | 0 | 0 | 0 | 113.6 | A874 H875 Q876 A882 | A874-S878 WeakPolarHBondContact O-CB 3.23Å; A874-S878 PolarHBondContact O-N 2.76Å; A874-S878 PolarHBondContact O-OG 3.19Å; H875-S878 WeakPolarHBondContact CA-OG 3.39Å; H875-S878 PolarHBondContact O-OG 2.7Å; Q876-S878 VanDerWaalsContact C-N 3.26Å; Q876-S878 PolarHBondContact O-N 3.04Å; S878-A882 WeakPolarHBondContact O-CA 3.27Å; S878-A882 WeakPolarHBondContact O-CB 3.32Å; S878-A882 PolarHBondContact O-N 3.19Å |
| 879 | R | 68.7 | Low | 81 | Confident | 168 Ų | 168 | 50.9 Ų | 50.9 | 63% | 0.634 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -68.8 | -43 | 173.9 | -77 | 177.7 | 67.9 | 151.5 | 1.6 | 113.2 | H875 Q876 | H875-R879 WeakPolarHBondContact O-CB 3.44Å; H875-R879 VanDerWaalsContact O-CG 3.25Å; H875-R879 WeakPolarHBondContact O-CG 3.38Å; H875-R879 PolarHBondContact O-N 2.87Å; H875-R879 VanDerWaalsContact O-N 3.15Å; Q876-R879 PolarHBondContact O-N 2.98Å |
| 880 | C | 69.9 | Low | 80.7 | Confident | 12 Ų | 12 | 54.4 Ų | 54.4 | 8% | 0.081 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 176.7 | -169.6 | 0 | 0 | 0 | 0 | 110.5 | Y668 L696 Q876 | Y668-C880 HydrophobicContact CD1-CB 4.5Å; Y668-C880 VanDerWaalsContact CE1-CA 3.47Å; Y668-C880 HydrophobicContact CE1-CB 3.89Å; L696-C880 HydrophobicContact CD1-CB 3.92Å; Q876-C880 WeakPolarHBondContact O-CB 3.48Å; Q876-C880 PolarHBondContact O-N 2.68Å |
| 881 | N | 70.6 | Confident | 80.4 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 10% | 0.096 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -163.2 | 85.2 | -174.9 | -165 | -25.4 | 0 | 0 | 0 | 112.7 | R684 T693 L877 S883 A884 F885 | R684-N881 PolarHBondContact NH2-ND2 2.81Å; R684-N881 PolarHBondContact NH2-OD1 2.72Å; T693-N881 HydrophobicContact CG2-CB 3.82Å; L877-N881 CarbonylContact O-C 3.59Å; L877-N881 WeakPolarHBondContact O-CA 3.15Å; L877-N881 PolarHBondContact O-N 2.77Å; N881-S883 VanDerWaalsContact C-N 3.29Å; N881-S883 PolarHBondContact O-N 2.73Å; N881-S883 PolarHBondContact OD1-OG 3.48Å; N881-A884 HydrophobicContact CB-CB 4.02Å; N881-A884 VanDerWaalsContact CG-CB 3.48Å; N881-A884 PolarHBondContact O-N 2.99Å; N881-A884 PolarHBondContact OD1-N 2.82Å; N881-A884 VanDerWaalsContact OD1-N 3.14Å; N881-F885 PolarHBondContact O-N 3.37Å; N881-F885 VanDerWaalsContact O-N 3.13Å |
| 882 | A | 73.8 | Confident | 80.7 | Confident | 58 Ų | 58 | 50.1 Ų | 50.1 | 48% | 0.479 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -54.8 | -41.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S878 A884 F885 E886 | S878-A882 WeakPolarHBondContact O-CA 3.27Å; S878-A882 WeakPolarHBondContact O-CB 3.32Å; S878-A882 PolarHBondContact O-N 3.19Å; A882-A884 PolarHBondContact O-N 3.03Å; A882-F885 WeakPolarHBondContact O-CB 3.41Å; A882-F885 PolarHBondContact O-N 2.81Å; A882-E886 WeakPolarHBondContact O-CG 3.35Å; A882-E886 PolarHBondContact O-N 2.78Å |
| 883 | S | 75.8 | Confident | 81 | Confident | 64 Ų | 64 | 54.4 Ų | 54.4 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.4 | -39.2 | -179.6 | 66.3 | 0 | 0 | 0 | 0 | 113.3 | R684 N881 F885 S887 | R684-S883 PolarHBondContact NH1-OG 2.73Å; R684-S883 PolarHBondContact NH2-OG 2.83Å; N881-S883 VanDerWaalsContact C-N 3.29Å; N881-S883 PolarHBondContact O-N 2.73Å; N881-S883 PolarHBondContact OD1-OG 3.48Å; S883-F885 VanDerWaalsContact C-N 3.33Å; S883-S887 PolarHBondContact O-N 2.88Å; S883-S887 VanDerWaalsContact O-N 3.12Å |
| 884 | A | 76.7 | Confident | 80.9 | Confident | 22 Ų | 22 | 59.7 Ų | 59.7 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.6 | -33.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T693 N881 A882 L888 | T693-A884 HydrophobicContact CG2-CB 3.61Å; N881-A884 HydrophobicContact CB-CB 4.02Å; N881-A884 VanDerWaalsContact CG-CB 3.48Å; N881-A884 PolarHBondContact O-N 2.99Å; N881-A884 PolarHBondContact OD1-N 2.82Å; N881-A884 VanDerWaalsContact OD1-N 3.14Å; A882-A884 PolarHBondContact O-N 3.03Å; A884-L888 WeakPolarHBondContact O-CB 3.32Å; A884-L888 PolarHBondContact O-N 3.42Å |
| 885 | F | 86.4 | Confident | 81.2 | Confident | 30 Ų | 30 | 59.8 Ų | 59.8 | 13% | 0.132 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 175.3 | -174.2 | -125.7 | 0 | 0 | 0 | 112.6 | Y700 A874 L877 N881 A882 S883 L888 R889 | Y700-F885 HydrophobicContact CD2-CE2 4.08Å; Y700-F885 HydrophobicContact CE1-CE2 4.29Å; Y700-F885 AromaticContact CE2-CE2 3.74Å; Y700-F885 HydrophobicContact CE2-CE2 3.74Å; Y700-F885 HydrophobicContact CE2-CZ 4.13Å; Y700-F885 HydrophobicContact CG-CE2 4.49Å; Y700-F885 AromaticContact CZ-CE2 3.86Å; A874-F885 HydrophobicContact CB-CE1 4.24Å; A874-F885 HydrophobicContact CB-CE2 3.9Å; A874-F885 HydrophobicContact CB-CZ 3.52Å; L877-F885 HydrophobicContact CB-CD2 4.23Å; L877-F885 HydrophobicContact CD2-CD2 3.63Å; L877-F885 HydrophobicContact CD2-CE2 4.38Å; L877-F885 HydrophobicContact CD2-CG 4.47Å; L877-F885 HydrophobicContact CG-CB 4Å; L877-F885 HydrophobicContact CG-CD2 3.86Å; L877-F885 HydrophobicContact CG-CG 4.25Å; N881-F885 PolarHBondContact O-N 3.37Å; N881-F885 VanDerWaalsContact O-N 3.13Å; A882-F885 WeakPolarHBondContact O-CB 3.41Å; A882-F885 PolarHBondContact O-N 2.81Å; S883-F885 VanDerWaalsContact C-N 3.33Å; F885-L888 PolarHBondContact O-N 3.17Å; F885-R889 PolarHBondContact O-N 2.92Å |
| 886 | E | 83.4 | Confident | 81.5 | Confident | 101 Ų | 101 | 61.8 Ų | 61.8 | 47% | 0.472 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 176.2 | -67.8 | -119.4 | 129.3 | 0 | 0 | 111.2 | A882 L888 R889 D890 | A882-E886 WeakPolarHBondContact O-CG 3.35Å; A882-E886 PolarHBondContact O-N 2.78Å; E886-L888 VanDerWaalsContact C-N 3.32Å; E886-L888 PolarHBondContact O-N 2.82Å; E886-R889 WeakPolarHBondContact O-CB 3.26Å; E886-R889 PolarHBondContact O-N 2.89Å; E886-R889 VanDerWaalsContact O-N 3.09Å; E886-R889 IonicContact OE1-CZ 3.32Å; E886-R889 IonicContact OE1-NH1 3.87Å; E886-R889 IonicContact OE1-NH2 3.58Å; E886-R889 PolarHBondContact OE1-NH2 3.06Å; E886-R889 IonicContact OE2-NH2 3.52Å; E886-D890 PolarHBondContact O-N 2.85Å |
| 887 | S | 82.3 | Confident | 81.9 | Confident | 62 Ų | 62 | 61.9 Ų | 61.9 | 43% | 0.434 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.9 | -44.2 | 175.7 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | S883 R889 D890 D891 | S883-S887 PolarHBondContact O-N 2.88Å; S883-S887 VanDerWaalsContact O-N 3.12Å; S887-R889 VanDerWaalsContact C-N 3.33Å; S887-R889 PolarHBondContact O-N 2.82Å; S887-D890 PolarHBondContact O-N 2.9Å; S887-D891 VanDerWaalsContact O-CG 3.27Å; S887-D891 PolarHBondContact O-N 2.95Å |
| 888 | L | 89.4 | Confident | 82 | Confident | 10 Ų | 10 | 64.9 Ų | 64.9 | 5% | 0.052 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 177 | 175.2 | 63.8 | 0 | 0 | 0 | 111.6 | S697 Y700 Q701 L877 A884 F885 E886 D890 D891 L892 | S697-L888 WeakPolarHBondContact OG-CD2 3.31Å; Y700-L888 HydrophobicContact CD1-CD2 3.68Å; Y700-L888 HydrophobicContact CE1-CD2 4.27Å; Y700-L888 HydrophobicContact CG-CD2 4.41Å; Q701-L888 HydrophobicContact CG-CD1 3.9Å; Q701-L888 HydrophobicContact CG-CD2 4.28Å; L877-L888 HydrophobicContact CD2-CD2 3.91Å; A884-L888 WeakPolarHBondContact O-CB 3.32Å; A884-L888 PolarHBondContact O-N 3.42Å; F885-L888 PolarHBondContact O-N 3.17Å; E886-L888 VanDerWaalsContact C-N 3.32Å; E886-L888 PolarHBondContact O-N 2.82Å; L888-D890 VanDerWaalsContact C-N 3.32Å; L888-D891 PolarHBondContact O-N 3.14Å; L888-L892 HydrophobicContact CD1-CD1 4.14Å; L888-L892 HydrophobicContact CD1-CG 4.12Å; L888-L892 HydrophobicContact CG-CD1 4.06Å; L888-L892 HydrophobicContact CG-CG 4.43Å; L888-L892 WeakPolarHBondContact O-CB 3.49Å; L888-L892 WeakPolarHBondContact O-CG 3.42Å; L888-L892 PolarHBondContact O-N 3.06Å |
| 889 | R | 89.2 | Confident | 82 | Confident | 91 Ų | 91 | 68.3 Ų | 68.3 | 34% | 0.343 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 177.3 | -175.5 | -179.6 | 63.1 | -153.9 | -9 | 110.6 | F885 E886 S887 L892 E893 | F885-R889 PolarHBondContact O-N 2.92Å; E886-R889 WeakPolarHBondContact O-CB 3.26Å; E886-R889 PolarHBondContact O-N 2.89Å; E886-R889 VanDerWaalsContact O-N 3.09Å; E886-R889 IonicContact OE1-CZ 3.32Å; E886-R889 IonicContact OE1-NH1 3.87Å; E886-R889 IonicContact OE1-NH2 3.58Å; E886-R889 PolarHBondContact OE1-NH2 3.06Å; E886-R889 IonicContact OE2-NH2 3.52Å; S887-R889 VanDerWaalsContact C-N 3.33Å; S887-R889 PolarHBondContact O-N 2.82Å; R889-L892 PolarHBondContact O-N 2.66Å; R889-E893 WeakPolarHBondContact O-CG 3.25Å; R889-E893 PolarHBondContact O-N 2.83Å |
| 890 | D | 84.7 | Confident | 82.2 | Confident | 73 Ų | 73 | 60.8 Ų | 60.8 | 39% | 0.39 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 178.2 | -65.7 | -9 | 0 | 0 | 0 | 111.6 | E886 S887 L888 L892 E893 N894 | E886-D890 PolarHBondContact O-N 2.85Å; S887-D890 PolarHBondContact O-N 2.9Å; L888-D890 VanDerWaalsContact C-N 3.32Å; D890-L892 VanDerWaalsContact C-N 3.32Å; D890-L892 PolarHBondContact O-N 2.95Å; D890-E893 PolarHBondContact O-N 2.82Å; D890-N894 WeakPolarHBondContact O-CB 3.23Å; D890-N894 PolarHBondContact O-N 2.99Å; D890-N894 PolarHBondContact O-ND2 2.84Å |
| 891 | D | 87.4 | Confident | 82.1 | Confident | 79 Ų | 79 | 62.8 Ų | 62.8 | 42% | 0.422 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.8 | -40 | 176 | -71.2 | -28.4 | 0 | 0 | 0 | 111.9 | L731 S887 L888 A895 | L731-D891 HydrophobicContact CD2-CB 4.48Å; S887-D891 VanDerWaalsContact O-CG 3.27Å; S887-D891 PolarHBondContact O-N 2.95Å; L888-D891 PolarHBondContact O-N 3.14Å; D891-A895 WeakPolarHBondContact O-CB 2.91Å; D891-A895 PolarHBondContact O-N 2.9Å |
| 892 | L | 92.5 | Very high | 81.9 | Confident | 15 Ų | 15 | 66.6 Ų | 66.6 | 8% | 0.079 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.9 | -38.7 | 178.4 | -68.1 | 174.3 | 0 | 0 | 0 | 112.5 | P587 N588 Y700 L731 L888 R889 D890 | P587-L892 HydrophobicContact CB-CD2 3.84Å; P587-L892 HydrophobicContact CG-CD2 4.29Å; N588-L892 WeakPolarHBondContact ND2-CD2 3.33Å; N588-L892 VanDerWaalsContact OD1-CD2 3.29Å; N588-L892 WeakPolarHBondContact OD1-CD2 3.27Å; Y700-L892 HydrophobicContact CD1-CD1 4.31Å; Y700-L892 HydrophobicContact CE1-CD1 3.73Å; L731-L892 HydrophobicContact CD2-CD2 3.86Å; L888-L892 HydrophobicContact CD1-CD1 4.14Å; L888-L892 HydrophobicContact CD1-CG 4.12Å; L888-L892 HydrophobicContact CG-CD1 4.06Å; L888-L892 HydrophobicContact CG-CG 4.43Å; L888-L892 WeakPolarHBondContact O-CB 3.49Å; L888-L892 WeakPolarHBondContact O-CG 3.42Å; L888-L892 PolarHBondContact O-N 3.06Å; R889-L892 PolarHBondContact O-N 2.66Å; D890-L892 VanDerWaalsContact C-N 3.32Å; D890-L892 PolarHBondContact O-N 2.95Å |
| 893 | E | 88.8 | Confident | 81.2 | Confident | 138 Ų | 138 | 69.8 Ų | 69.8 | 65% | 0.645 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -69.7 | -35.7 | 177.2 | -75.1 | -179.4 | -171.5 | 0 | 0 | 112.1 | R889 D890 | R889-E893 WeakPolarHBondContact O-CG 3.25Å; R889-E893 PolarHBondContact O-N 2.83Å; D890-E893 PolarHBondContact O-N 2.82Å |
| 894 | N | 86.4 | Confident | 80.4 | Confident | 114 Ų | 114 | 67.8 Ų | 67.8 | 61% | 0.61 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -88.4 | -11.2 | -178.7 | -69.2 | -59.1 | 0 | 0 | 0 | 114.2 | D890 Q896 | D890-N894 WeakPolarHBondContact O-CB 3.23Å; D890-N894 PolarHBondContact O-N 2.99Å; D890-N894 PolarHBondContact O-ND2 2.84Å; N894-Q896 PolarHBondContact O-N 2.74Å; N894-Q896 PolarHBondContact O-NE2 3.46Å |
| 895 | A | 90.2 | Very high | 79.6 | Confident | 16 Ų | 16 | 71.5 Ų | 71.5 | 13% | 0.132 | 36% | 0.359 | C | S | . | . | trans | -55.2 | 134.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F585 P587 L731 D891 | F585-A895 VanDerWaalsContact CE1-O 3.25Å; F585-A895 WeakPolarHBondContact CE1-O 3.21Å; F585-A895 HydrophobicContact CZ-CB 4.1Å; F585-A895 WeakPolarHBondContact CZ-O 3.21Å; P587-A895 HydrophobicContact CB-CB 3.81Å; L731-A895 HydrophobicContact CD1-CB 4.3Å; D891-A895 WeakPolarHBondContact O-CB 2.91Å; D891-A895 PolarHBondContact O-N 2.9Å | ||
| 896 | Q | 83.7 | Confident | 77.6 | Confident | 148 Ų | 148 | 78.6 Ų | 78.6 | 69% | 0.692 | 39% | 0.39 | S | S | * | . | trans | -119.5 | 149.7 | 178.6 | -61.7 | -57.3 | -48.4 | 0 | 0 | 111.5 | N894 | N894-Q896 PolarHBondContact O-N 2.74Å; N894-Q896 PolarHBondContact O-NE2 3.46Å | ||
| 897 | P | 82.6 | Confident | 75.5 | Confident | 40 Ų | 40 | 76.4 Ų | 76.4 | 26% | 0.26 | 39% | 0.385 | S | S | . | . | trans | -68.1 | 149.2 | 172.3 | 25 | -30.3 | 0 | 0 | 0 | 111.5 | F585 I899 | F585-P897 HydrophobicContact CB-CB 4.3Å; F585-P897 HydrophobicContact CB-CG 4.35Å; F585-P897 HydrophobicContact CD2-CB 3.47Å; F585-P897 VanDerWaalsContact CD2-CB 3.47Å; F585-P897 HydrophobicContact CD2-CG 4.03Å; F585-P897 HydrophobicContact CE2-CB 3.94Å; F585-P897 HydrophobicContact CE2-CG 4.47Å; F585-P897 HydrophobicContact CG-CB 3.94Å; F585-P897 HydrophobicContact CG-CG 4.04Å; P897-I899 HydrophobicContact CB-CG1 4.4Å; P897-I899 HydrophobicContact CG-CD1 4.25Å; P897-I899 HydrophobicContact CG-CG1 4.06Å; P897-I899 PolarHBondContact O-N 2.84Å | ||
| 898 | Q | 81.4 | Confident | 73.1 | Confident | 65 Ų | 65 | 81.7 Ų | 81.7 | 30% | 0.304 | 40% | 0.403 | S | S | . | . | trans | -70 | 113.7 | 161.8 | -70.5 | -174.4 | -6.3 | 0 | 0 | 109 | V593 E610 | V593-Q898 HydrophobicContact CG2-CB 3.93Å; E610-Q898 HydrophobicContact CB-CG 4.3Å | ||
| 899 | I | 77.7 | Confident | 70.3 | Confident | 111 Ų | 111 | 87 Ų | 87 | 57% | 0.569 | 44% | 0.438 | S | S | * | . | trans | -105.1 | 136.6 | -180 | -55.7 | 175.6 | 0 | 0 | 0 | 108.7 | P897 P901 | P897-I899 HydrophobicContact CB-CG1 4.4Å; P897-I899 HydrophobicContact CG-CD1 4.25Å; P897-I899 HydrophobicContact CG-CG1 4.06Å; P897-I899 PolarHBondContact O-N 2.84Å; I899-P901 VanDerWaalsContact O-CD 3.28Å; I899-P901 WeakPolarHBondContact O-CD 2.97Å | ||
| 900 | I | 73.6 | Confident | 67.4 | Low | 9 Ų | 9 | 92 Ų | 92 | 5% | 0.046 | 46% | 0.463 | C | S | . | . | trans | -66.1 | 121 | 169.2 | -58.7 | 178.9 | 0 | 0 | 0 | 108.1 | V519 I543 V593 D902 L904 R905 | V519-I900 HydrophobicContact CG2-CD1 3.35Å; I543-I900 HydrophobicContact CD1-CD1 4.18Å; I543-I900 HydrophobicContact CD1-CG1 4.27Å; V593-I900 HydrophobicContact CG1-CD1 4.09Å; V593-I900 HydrophobicContact CG1-CG1 3.58Å; V593-I900 VanDerWaalsContact O-CD1 3.29Å; V593-I900 WeakPolarHBondContact O-CD1 3.18Å; I900-D902 PolarHBondContact O-N 2.99Å; I900-L904 HydrophobicContact CG2-CB 3.72Å; I900-L904 HydrophobicContact CG2-CD1 4.39Å; I900-R905 HydrophobicContact CG2-CG 4.48Å | ||
| 901 | P | 68.3 | Low | 64.6 | Low | 54 Ų | 54 | 91.3 Ų | 91.3 | 35% | 0.351 | 47% | 0.473 | S | S | . | . | trans | -49.4 | 138.3 | 173.3 | -25.7 | 31 | 0 | 0 | 0 | 111.9 | I899 E903 L904 | I899-P901 VanDerWaalsContact O-CD 3.28Å; I899-P901 WeakPolarHBondContact O-CD 2.97Å; P901-E903 VanDerWaalsContact CB-OE2 3.22Å; P901-E903 WeakPolarHBondContact CB-OE2 3.45Å; P901-E903 PolarHBondContact O-N 2.84Å; P901-E903 VanDerWaalsContact O-N 3.13Å; P901-L904 HydrophobicContact CB-CD1 4.41Å; P901-L904 HydrophobicContact CG-CD1 4.13Å; P901-L904 WeakPolarHBondContact O-CB 3.48Å; P901-L904 PolarHBondContact O-N 2.81Å | ||
| 902 | D | 66 | Low | 61.7 | Low | 98 Ų | 98 | 94.6 Ų | 94.6 | 52% | 0.524 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -23.3 | -175.4 | -76.2 | -29.6 | 0 | 0 | 0 | 112.7 | I900 L904 R905 | I900-D902 PolarHBondContact O-N 2.99Å; D902-L904 VanDerWaalsContact C-N 3.28Å; D902-L904 PolarHBondContact O-N 2.84Å; D902-R905 PolarHBondContact O-N 2.75Å; D902-R905 IonicContact OD1-NH1 2.96Å; D902-R905 PolarHBondContact OD1-NH1 3.49Å |
| 903 | E | 59.8 | Low | 59 | Low | 126 Ų | 126 | 99 Ų | 99 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.9 | -38.3 | 172.7 | -60.8 | 76 | -161.7 | 0 | 0 | 111.7 | P901 R905 K906 | P901-E903 VanDerWaalsContact CB-OE2 3.22Å; P901-E903 WeakPolarHBondContact CB-OE2 3.45Å; P901-E903 PolarHBondContact O-N 2.84Å; P901-E903 VanDerWaalsContact O-N 3.13Å; E903-R905 VanDerWaalsContact C-N 3.34Å; E903-K906 PolarHBondContact O-N 3.47Å |
| 904 | L | 58.4 | Low | 56 | Low | 22 Ų | 22 | 101.5 Ų | 101.5 | 12% | 0.115 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -79.3 | -14.9 | 179.8 | -71 | 168.4 | 0 | 0 | 0 | 113.3 | I543 D545 I900 P901 D902 | I543-L904 HydrophobicContact CG2-CD1 3.96Å; D545-L904 VanDerWaalsContact CA-CD2 3.42Å; D545-L904 HydrophobicContact CB-CD2 3.68Å; I900-L904 HydrophobicContact CG2-CB 3.72Å; I900-L904 HydrophobicContact CG2-CD1 4.39Å; P901-L904 HydrophobicContact CB-CD1 4.41Å; P901-L904 HydrophobicContact CG-CD1 4.13Å; P901-L904 WeakPolarHBondContact O-CB 3.48Å; P901-L904 PolarHBondContact O-N 2.81Å; D902-L904 VanDerWaalsContact C-N 3.28Å; D902-L904 PolarHBondContact O-N 2.84Å |
| 905 | R | 58.6 | Low | 53 | Low | 99 Ų | 99 | 100.3 Ų | 100.3 | 37% | 0.374 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -78 | -22.4 | 173.4 | -78.2 | -175.4 | 171.4 | 124.4 | 2.3 | 112.7 | R516 I900 D902 E903 S907 | R516-R905 PolarHBondContact O-NE 2.9Å; I900-R905 HydrophobicContact CG2-CG 4.48Å; D902-R905 PolarHBondContact O-N 2.75Å; D902-R905 IonicContact OD1-NH1 2.96Å; D902-R905 PolarHBondContact OD1-NH1 3.49Å; E903-R905 VanDerWaalsContact C-N 3.34Å; R905-S907 PolarHBondContact O-N 3.04Å |
| 906 | K | 45.3 | Very low | 49.8 | Very low | 179 Ų | 179 | 105.9 Ų | 105.9 | 78% | 0.778 | 55% | 0.547 | S | S | * | . | trans | -95.5 | 59.4 | -174 | -66.6 | -177.9 | -177.7 | 175.4 | 0 | 112.6 | E903 | E903-K906 PolarHBondContact O-N 3.47Š| ||
| 907 | S | 39 | Very low | 46.9 | Very low | 55 Ų | 55 | 106.6 Ų | 106.6 | 39% | 0.385 | 55% | 0.548 | S | S | . | . | trans | -94.3 | 115.6 | 150 | 70 | 0 | 0 | 0 | 0 | 107 | P520 R905 | P520-S907 WeakPolarHBondContact CG-OG 2.93Å; R905-S907 PolarHBondContact O-N 3.04Å | ||
| 908 | E | 31.4 | Very low | 44.2 | Very low | 173 Ų | 173 | 113.4 Ų | 113.4 | 81% | 0.808 | 57% | 0.574 | S | S | * | * | trans | -43.6 | 152.3 | 178.5 | -71.7 | -178.9 | 151.4 | 0 | 0 | 112.8 | F910 | E908-F910 VanDerWaalsContact C-N 3.26Å; E908-F910 PolarHBondContact O-N 3.27Å | ||
| 909 | P | 31 | Very low | 41.5 | Very low | 121 Ų | 121 | 120.4 Ų | 120.4 | 79% | 0.786 | 60% | 0.599 | S | S | * | * | trans | -63.1 | 94.5 | 171.2 | 28.4 | -31.5 | 0 | 0 | 0 | 107.7 | G911 | P909-G911 VanDerWaalsContact C-N 3.32Å; P909-G911 PolarHBondContact O-N 3.26Å | ||
| 910 | F | 28.9 | Very low | 38.9 | Very low | 197 Ų | 197 | 126.3 Ų | 126.3 | 86% | 0.864 | 62% | 0.615 | S | S | * | * | trans | -51.8 | 106.2 | 160.6 | -119.2 | -92.2 | 0 | 0 | 0 | 105.3 | E908 E912 | E908-F910 VanDerWaalsContact C-N 3.26Å; E908-F910 PolarHBondContact O-N 3.27Å; F910-E912 PolarHBondContact O-N 3.4Å | ||
| 911 | G | 26.5 | Very low | 36.8 | Very low | 59 Ų | 59 | 135.3 Ų | 135.3 | 61% | 0.608 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -50 | 127.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | P909 P913 | P909-G911 VanDerWaalsContact C-N 3.32Å; P909-G911 PolarHBondContact O-N 3.26Å; G911-P913 WeakPolarHBondContact O-CD 3.32Å; G911-P913 VanDerWaalsContact O-N 3.11Å |
| 912 | E | 25.9 | Very low | 34.8 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 69% | 0.692 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 116.5 | -179.6 | -64.5 | -177.9 | 160.6 | 0 | 0 | 110.6 | F910 C915 | F910-E912 PolarHBondContact O-N 3.4Å; E912-C915 PolarHBondContact OE2-SG 2.81Å; E912-C915 VanDerWaalsContact OE2-SG 3.35Å |
| 913 | P | 35.6 | Very low | 33.2 | Very low | 106 Ų | 106 | 142.1 Ų | 142.1 | 69% | 0.688 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -89.9 | 128.9 | 145 | 30.2 | -15.1 | 0 | 0 | 0 | 106.2 | G911 | G911-P913 WeakPolarHBondContact O-CD 3.32Å; G911-P913 VanDerWaalsContact O-N 3.11Å |
| 914 | Y | 24.9 | Very low | 31.6 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | trans | 101.4 | 53.4 | 178.3 | -70.7 | -98.4 | 0 | 0 | 0 | 117.8 | F917 | Y914-F917 HydrophobicContact CD1-CD2 4.22Å; Y914-F917 AromaticContact CE1-CD2 3.92Å; Y914-F917 HydrophobicContact CE1-CD2 3.92Å; Y914-F917 AromaticContact CE1-CE2 3.81Å; Y914-F917 HydrophobicContact CE1-CE2 3.81Å | ||
| 915 | C | 24.6 | Very low | 30.5 | Very low | 88 Ų | 88 | 147.7 Ų | 147.7 | 60% | 0.595 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -120 | 36.2 | 147.2 | -83.5 | 0 | 0 | 0 | 0 | 112.5 | E912 | E912-C915 PolarHBondContact OE2-SG 2.81Å; E912-C915 VanDerWaalsContact OE2-SG 3.35Å |
| 916 | D | 23.4 | Very low | 29.3 | Very low | 133 Ų | 133 | 148 Ų | 148 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | trans | -141.1 | 78.9 | 167.6 | -88.4 | -36.5 | 0 | 0 | 0 | 111.7 | ||||
| 917 | F | 22.4 | Very low | 28.6 | Very low | 164 Ų | 164 | 146.4 Ų | 146.4 | 72% | 0.719 | 75% | 0.747 | S | S | * | * | trans | -120.7 | 58.6 | 151.8 | -106.7 | -84.4 | 0 | 0 | 0 | 107.4 | Y914 Y919 | Y914-F917 HydrophobicContact CD1-CD2 4.22Å; Y914-F917 AromaticContact CE1-CD2 3.92Å; Y914-F917 HydrophobicContact CE1-CD2 3.92Å; Y914-F917 AromaticContact CE1-CE2 3.81Å; Y914-F917 HydrophobicContact CE1-CE2 3.81Å; F917-Y919 PolarHBondContact O-N 2.99Å | ||
| 918 | F | 25.7 | Very low | 28.4 | Very low | 183 Ų | 183 | 151.1 Ų | 151.1 | 80% | 0.803 | 77% | 0.768 | S | S | * | * | trans | -71.2 | 112.8 | 158.2 | -86.1 | -82.6 | 0 | 0 | 0 | 107.4 | R920 | F918-R920 VanDerWaalsContact C-N 3.32Å; F918-R920 PolarHBondContact O-N 3.21Å | ||
| 919 | Y | 24.2 | Very low | 28.1 | Very low | 212 Ų | 212 | 151.5 Ų | 151.5 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | trans | -57.8 | 98.8 | 161.7 | -87.1 | -100 | 0 | 0 | 0 | 107.9 | F917 K921 | F917-Y919 PolarHBondContact O-N 2.99Å; Y919-K921 PolarHBondContact O-N 2.78Å | ||
| 920 | R | 23.7 | Very low | 28.5 | Very low | 235 Ų | 235 | 150.9 Ų | 150.9 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | trans | -67.2 | 114.2 | 154.9 | -94.3 | -172.7 | -169.5 | -178.6 | 4.2 | 106.8 | F918 E922 | F918-R920 VanDerWaalsContact C-N 3.32Å; F918-R920 PolarHBondContact O-N 3.21Å; R920-E922 PolarHBondContact O-N 2.88Å | ||
| 921 | K | 29 | Very low | 28.5 | Very low | 198 Ų | 198 | 149.6 Ų | 149.6 | 86% | 0.861 | 76% | 0.763 | S | S | * | * | trans | -69.7 | 106.1 | 159.8 | -118.3 | -179.2 | 175.7 | -174.9 | 0 | 106.3 | Y919 S923 | Y919-K921 PolarHBondContact O-N 2.78Å; K921-S923 PolarHBondContact O-N 3.08Å | ||
| 922 | E | 26.2 | Very low | 28.5 | Very low | 186 Ų | 186 | 152.7 Ų | 152.7 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | trans | -63 | 117.2 | 155.3 | -70.6 | 174 | 161.8 | 0 | 0 | 107.5 | R920 | R920-E922 PolarHBondContact O-N 2.88Š| ||
| 923 | S | 33.3 | Very low | 28.5 | Very low | 108 Ų | 108 | 151.7 Ų | 151.7 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -139.5 | 95.6 | 152.8 | 62.5 | 0 | 0 | 0 | 0 | 107.3 | K921 | K921-S923 PolarHBondContact O-N 3.08Š| ||
| 924 | T | 26.6 | Very low | 28.3 | Very low | 135 Ų | 135 | 150.1 Ų | 150.1 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | trans | -57.9 | 121.6 | 162.5 | 37.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 925 | V | 33.4 | Very low | 28.4 | Very low | 131 Ų | 131 | 148.8 Ų | 148.8 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -141.3 | 121.7 | 144.4 | -176.3 | 0 | 0 | 0 | 0 | 107 | ||||
| 926 | P | 34.4 | Very low | 28.5 | Very low | 106 Ų | 106 | 151.3 Ų | 151.3 | 69% | 0.688 | 80% | 0.795 | S | S | * | * | trans | -86.1 | 147.5 | 178.6 | 35.5 | -30.8 | 0 | 0 | 0 | 109.7 | ||||
| 927 | N | 31 | Very low | 28.9 | Very low | 144 Ų | 144 | 152.7 Ų | 152.7 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -173.6 | 143.8 | 146 | -91.4 | -15.1 | 0 | 0 | 0 | 109.9 | ||||
| 928 | D | 34 | Very low | 29.3 | Very low | 154 Ų | 154 | 149.5 Ų | 149.5 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | 100.3 | 98 | 159.1 | -53 | -24.1 | 0 | 0 | 0 | 118 | ||||
| 929 | E | 24.8 | Very low | 29.4 | Very low | 182 Ų | 182 | 146.8 Ų | 146.8 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -57.1 | -177.3 | 145.4 | -55.7 | -176.4 | 144.3 | 0 | 0 | 111.8 | ||||
| 930 | P | 39.5 | Very low | 29.5 | Very low | 107 Ų | 107 | 145.2 Ų | 145.2 | 70% | 0.695 | 80% | 0.799 | S | S | * | * | -127.1 | -165.1 | -60 | 34.2 | -15.5 | 0 | 0 | 0 | 111.3 | |||||
| 931 | E | 28.7 | Very low | 29.5 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 79% | 0.794 | 79% | 0.792 | S | S | * | * | trans | 88.9 | 89.8 | 165.4 | -63.3 | -171.7 | 178.3 | 0 | 0 | 117 | ||||
| 932 | T | 26.5 | Very low | 29.6 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | 95.9 | 134.5 | 78.3 | 50.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 933 | S | 27.4 | Very low | 29.6 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | 82 | 100 | 164.7 | 74.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 934 | G | 30.9 | Very low | 29.5 | Very low | 73 Ų | 73 | 133.9 Ų | 133.9 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | 164.7 | 82.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 935 | L | 27.6 | Very low | 30 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | trans | 64.1 | 102.5 | 154.7 | -89.6 | 78.1 | 0 | 0 | 0 | 119.8 | ||||
| 936 | D | 27 | Very low | 29.7 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | 24.3 | 106.2 | 121.6 | -66.3 | -22 | 0 | 0 | 0 | 118.4 | |||||
| 937 | N | 29.8 | Very low | 29.3 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | 174.5 | 142.7 | 103.6 | -89.2 | -43.4 | 0 | 0 | 0 | 112 | |||||
| 938 | A | 31.7 | Very low | 29.4 | Very low | 98 Ų | 98 | 143 Ų | 143 | 81% | 0.81 | 83% | 0.827 | S | S | * | * | trans | 84.7 | 59.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | Y940 | A938-Y940 PolarHBondContact O-N 3.35Š| ||
| 939 | T | 27 | Very low | 29.2 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 77% | 0.773 | 83% | 0.828 | S | S | * | * | trans | -66.8 | 108.2 | 154.8 | -43.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 940 | Y | 26.7 | Very low | 29.4 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 70% | 0.698 | 83% | 0.826 | S | S | * | * | 71.5 | 143.6 | 129.3 | -82.5 | -88.7 | 0 | 0 | 0 | 125.2 | A938 | A938-Y940 PolarHBondContact O-N 3.35Š| |||
| 941 | F | 25.2 | Very low | 28.9 | Very low | 171 Ų | 171 | 142.2 Ų | 142.2 | 75% | 0.75 | 83% | 0.834 | S | S | * | * | trans | 71.2 | 129.2 | 148 | -72 | -61 | 0 | 0 | 0 | 116.4 | ||||
| 942 | T | 29.7 | Very low | 28.9 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 76% | 0.761 | 84% | 0.836 | S | S | * | * | -149.1 | 142.8 | 53.5 | 39.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 943 | A | 27.7 | Very low | 29 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 84% | 0.835 | 84% | 0.841 | S | S | * | * | trans | -81 | 105.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 944 | S | 30.7 | Very low | 29.1 | Very low | 94 Ų | 94 | 142.5 Ų | 142.5 | 66% | 0.657 | 84% | 0.838 | S | S | * | * | trans | -170.6 | 69.2 | 158.6 | 57.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 945 | T | 37.3 | Very low | 29 | Very low | 146 Ų | 146 | 147.5 Ų | 147.5 | 90% | 0.896 | 84% | 0.844 | S | S | * | * | trans | -150.9 | 60.7 | 150.3 | -29.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 946 | L | 26.6 | Very low | 29.1 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 89% | 0.885 | 84% | 0.842 | S | S | * | * | trans | -101.4 | 76.9 | 170.1 | -147.8 | 157.3 | 0 | 0 | 0 | 106.1 | ||||
| 947 | Q | 26.5 | Very low | 29.3 | Very low | 179 Ų | 179 | 146.6 Ų | 146.6 | 84% | 0.836 | 85% | 0.85 | S | S | * | * | trans | 173.3 | 99.7 | 158.8 | -103.8 | 174.4 | -7.7 | 0 | 0 | 110.7 | ||||
| 948 | C | 32.4 | Very low | 29.2 | Very low | 212 Ų | 212 | 145.3 Ų | 145.3 | 100% | 1.432 | 85% | 0.848 | S | S | * | * | trans | -176.1 | 0 | 141 | -99.4 | 0 | 0 | 0 | 0 | 108.1 |
Retrieved 948 of 948 residues in 1492.6 ms
(Link to these results)