| 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 | 47.2 | Very low | 86.8 | Confident | 207 Ų | 207 | 86.8 Ų | 86.8 | 100% | 1.02 | 44% | 0.444 | S | S | * | . | 0 | 151.1 | 0 | -72.4 | -155.6 | 172.5 | 0 | 0 | 108.4 | S3 | M1-S3 PolarHBondContact O-N 2.86Š| |||
| 2 | P | 70.3 | Confident | 87.5 | Confident | 112 Ų | 112 | 88.8 Ų | 88.8 | 73% | 0.727 | 44% | 0.444 | S | S | * | . | trans | -60.4 | 135.6 | 168.8 | 25.8 | -31.5 | 0 | 0 | 0 | 109 | ||||
| 3 | S | 80.9 | Confident | 88 | Confident | 38 Ų | 38 | 86.6 Ų | 86.6 | 27% | 0.266 | 44% | 0.438 | S | S | . | . | trans | -63.2 | 145.2 | 178.2 | -48.7 | 0 | 0 | 0 | 0 | 110.6 | M1 D7 D72 | M1-S3 PolarHBondContact O-N 2.86Å; S3-D7 WeakPolarHBondContact CA-OD2 3.43Å; S3-D72 WeakPolarHBondContact CB-OD2 3.38Å; S3-D72 PolarHBondContact OG-OD2 3.16Å | ||
| 4 | R | 90 | Very high | 88 | Confident | 138 Ų | 138 | 86.4 Ų | 86.4 | 52% | 0.521 | 44% | 0.437 | S | S | . | . | trans | -116 | 165.4 | -176.8 | -55.2 | -176.5 | 179.8 | 179.7 | -0.8 | 110.8 | E6 D7 | R4-E6 WeakPolarHBondContact CB-OE2 3.39Å; R4-E6 VanDerWaalsContact CD-OE2 3.29Å; R4-E6 WeakPolarHBondContact CD-OE2 3.13Å; R4-E6 PolarHBondContact O-N 3.17Å; R4-D7 PolarHBondContact N-OD2 3.25Å; R4-D7 WeakPolarHBondContact O-CB 3.37Å; R4-D7 PolarHBondContact O-N 3.42Å | ||
| 5 | V | 91.6 | Very high | 87.6 | Confident | 37 Ų | 37 | 82.8 Ų | 82.8 | 22% | 0.224 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -60.9 | -38.5 | 177.5 | -179 | 0 | 0 | 0 | 0 | 109.6 | D7 Y8 W36 I74 D76 Y83 | V5-D7 PolarHBondContact O-N 3.41Å; V5-D7 VanDerWaalsContact O-N 3.14Å; V5-Y8 PolarHBondContact O-N 2.96Å; V5-Y8 VanDerWaalsContact O-N 3.12Å; V5-W36 HydrophobicContact CG1-CH2 3.75Å; V5-W36 HydrophobicContact CG1-CZ3 4.31Å; V5-I74 HydrophobicContact CG2-CG2 3.7Å; V5-D76 HydrophobicContact CG2-CB 4.37Å; V5-Y83 HydrophobicContact CG2-CD2 4.31Å; V5-Y83 HydrophobicContact CG2-CE2 3.95Å |
| 6 | E | 93.1 | Very high | 86.9 | Confident | 129 Ų | 129 | 83.6 Ų | 83.6 | 60% | 0.603 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -65.1 | -13.8 | 179.2 | -47.3 | 80.3 | -119.2 | 0 | 0 | 114.6 | R4 Y8 N28 | R4-E6 WeakPolarHBondContact CB-OE2 3.39Å; R4-E6 VanDerWaalsContact CD-OE2 3.29Å; R4-E6 WeakPolarHBondContact CD-OE2 3.13Å; R4-E6 PolarHBondContact O-N 3.17Å; E6-Y8 PolarHBondContact O-N 2.91Å; E6-N28 PolarHBondContact O-ND2 2.95Å |
| 7 | D | 94.6 | Very high | 85.6 | Confident | 70 Ų | 70 | 81.8 Ų | 81.8 | 37% | 0.374 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -75.2 | -5.6 | 175.1 | -62.6 | -34.4 | 0 | 0 | 0 | 112.3 | S3 R4 V5 N28 | S3-D7 WeakPolarHBondContact CA-OD2 3.43Å; R4-D7 PolarHBondContact N-OD2 3.25Å; R4-D7 WeakPolarHBondContact O-CB 3.37Å; R4-D7 PolarHBondContact O-N 3.42Å; V5-D7 PolarHBondContact O-N 3.41Å; V5-D7 VanDerWaalsContact O-N 3.14Å; D7-N28 WeakPolarHBondContact O-CB 3.4Å; D7-N28 PolarHBondContact O-N 2.82Å |
| 8 | Y | 96.3 | Very high | 83.9 | Confident | 17 Ų | 17 | 82.8 Ų | 82.8 | 7% | 0.067 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 139.1 | -175.9 | -57.9 | -94.1 | 0 | 0 | 0 | 111.7 | V5 E6 I25 R26 R27 L34 W36 D72 I74 V85 | V5-Y8 PolarHBondContact O-N 2.96Å; V5-Y8 VanDerWaalsContact O-N 3.12Å; E6-Y8 PolarHBondContact O-N 2.91Å; Y8-I25 HydrophobicContact CD1-CD1 3.48Å; Y8-I25 VanDerWaalsContact CD1-CD1 3.48Å; Y8-I25 HydrophobicContact CD1-CG1 4.1Å; Y8-I25 HydrophobicContact CE1-CD1 4.08Å; Y8-I25 HydrophobicContact CG-CD1 3.94Å; Y8-R26 CarbonylContact C-O 3.46Å; Y8-R26 VanDerWaalsContact CA-O 3.32Å; Y8-R26 WeakPolarHBondContact CA-O 3.23Å; Y8-R27 HydrophobicContact CD1-CB 3.84Å; Y8-R27 HydrophobicContact CD1-CG 4.13Å; Y8-R27 HydrophobicContact CE1-CB 3.73Å; Y8-R27 HydrophobicContact CE1-CG 3.74Å; Y8-L34 HydrophobicContact CE1-CD1 4.03Å; Y8-W36 HydrophobicContact CD2-CZ3 4.33Å; Y8-W36 HydrophobicContact CG-CZ3 4.29Å; Y8-D72 PolarHBondContact OH-OD2 3.18Å; Y8-I74 HydrophobicContact CD2-CD1 3.6Å; Y8-I74 HydrophobicContact CE2-CD1 3.47Å; Y8-I74 VanDerWaalsContact CE2-CD1 3.47Å; Y8-I74 HydrophobicContact CE2-CG1 4.4Å; Y8-V85 HydrophobicContact CE1-CG1 4.19Å |
| 9 | E | 96.8 | Very high | 82.7 | Confident | 88 Ų | 88 | 81 Ų | 81 | 41% | 0.411 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 122.9 | 170.9 | -178.8 | -167 | -176.7 | 0 | 0 | 109.2 | L11 I25 R26 | E9-L11 HydrophobicContact CG-CD2 4.27Å; E9-I25 CarbonylContact O-C 3.59Å; E9-I25 VanDerWaalsContact O-CA 3.24Å; E9-I25 WeakPolarHBondContact O-CA 3.44Å; E9-R26 HydrophobicContact CB-CB 4.36Å; E9-R26 PolarHBondContact N-O 2.8Å; E9-R26 PolarHBondContact O-N 2.71Å; E9-R26 IonicContact OE1-NH1 2.69Å; E9-R26 IonicContact OE2-CZ 2.8Å; E9-R26 IonicContact OE2-NH1 3.41Å; E9-R26 PolarHBondContact OE2-NH1 3.09Å |
| 10 | V | 96.8 | Very high | 82.3 | Confident | 64 Ų | 64 | 78.4 Ų | 78.4 | 39% | 0.388 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 124.3 | 173.1 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | Q23 I25 W36 | V10-Q23 HydrophobicContact CG1-CB 4.24Å; V10-I25 HydrophobicContact CG2-CG2 4.29Å; V10-W36 HydrophobicContact CG2-CH2 3.93Å; V10-W36 HydrophobicContact CG2-CZ2 3.29Å |
| 11 | L | 97 | Very high | 82.4 | Confident | 55 Ų | 55 | 79.9 Ų | 79.9 | 29% | 0.288 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | -58.1 | 178.9 | -56.5 | -178.3 | 0 | 0 | 0 | 111.2 | E9 K24 R26 I33 | E9-L11 HydrophobicContact CG-CD2 4.27Å; L11-K24 WeakPolarHBondContact CB-O 3.5Å; L11-K24 HydrophobicContact CD1-CD 4.35Å; L11-K24 HydrophobicContact CD1-CG 4.25Å; L11-K24 PolarHBondContact N-O 2.97Å; L11-R26 HydrophobicContact CD1-CB 4.33Å; L11-R26 HydrophobicContact CD2-CB 4.25Å; L11-R26 HydrophobicContact CG-CB 4.39Å; L11-I33 HydrophobicContact CD1-CD1 3.95Å |
| 12 | Y | 94.9 | Very high | 84.5 | Confident | 111 Ų | 111 | 71.8 Ų | 71.8 | 44% | 0.435 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 160.6 | 176.8 | 60.2 | -92.2 | 0 | 0 | 0 | 111.8 | I14 Q23 K24 | Y12-I14 HydrophobicContact CD2-CG1 4.46Å; Y12-I14 HydrophobicContact CE2-CG1 4.05Å; Y12-Q23 WeakPolarHBondContact O-CA 3.24Å; Y12-K24 HydrophobicContact CD1-CB 4.45Å; Y12-K24 HydrophobicContact CD1-CD 4.33Å; Y12-K24 HydrophobicContact CE1-CB 4.24Å; Y12-K24 HydrophobicContact CE1-CD 3.44Å; Y12-K24 VanDerWaalsContact CE1-CD 3.44Å; Y12-K24 HydrophobicContact CE1-CG 4.45Å; Y12-K24 HydrophobicContact CE2-CB 4.33Å; Y12-K24 HydrophobicContact CE2-CD 4.31Å; Y12-K24 VanDerWaalsContact CZ-CD 3.42Å; Y12-K24 PolarHBondContact O-N 3.06Å; Y12-K24 VanDerWaalsContact OH-CD 3.25Å; Y12-K24 WeakPolarHBondContact OH-CD 3.34Å; Y12-K24 PolarHBondContact OH-NZ 3.32Å |
| 13 | T | 93.9 | Very high | 85.6 | Confident | 60 Ų | 60 | 67.1 Ų | 67.1 | 37% | 0.368 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 123 | 174.3 | -58.3 | 0 | 0 | 0 | 0 | 110.2 | R21 Q23 | T13-R21 HydrophobicContact CG2-CB 4.31Å; T13-Q23 HydrophobicContact CG2-CG 4.5Å; T13-Q23 PolarHBondContact OG1-NE2 3.21Å |
| 14 | I | 88.6 | Confident | 86.3 | Confident | 84 Ų | 84 | 66.8 Ų | 66.8 | 43% | 0.431 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -41 | 176.7 | -60.7 | 170.8 | 0 | 0 | 0 | 110 | Y12 C22 K24 V35 Y88 | Y12-I14 HydrophobicContact CD2-CG1 4.46Å; Y12-I14 HydrophobicContact CE2-CG1 4.05Å; I14-C22 PolarHBondContact N-O 3.45Å; I14-K24 HydrophobicContact CD1-CB 3.97Å; I14-K24 HydrophobicContact CG1-CB 4.06Å; I14-V35 HydrophobicContact CD1-CB 4.45Å; I14-V35 HydrophobicContact CD1-CG1 3.47Å; I14-V35 VanDerWaalsContact CD1-CG1 3.47Å; I14-Y88 HydrophobicContact CD1-CD2 4.27Å; I14-Y88 HydrophobicContact CD1-CE2 4.05Å |
| 15 | G | 81.6 | Confident | 86.7 | Confident | 32 Ų | 32 | 60.2 Ų | 60.2 | 33% | 0.33 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.6 | 156.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | C22 | G15-C22 PolarHBondContact N-O 3.46Å; G15-C22 PolarHBondContact O-N 2.91Å |
| 16 | S | 76.3 | Confident | 87 | Confident | 95 Ų | 95 | 62.9 Ų | 62.9 | 66% | 0.664 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 110.4 | 173.7 | -60.7 | 0 | 0 | 0 | 0 | 107.8 | ||
| 17 | G | 65.3 | Low | 87.1 | Confident | 53 Ų | 53 | 59.4 Ų | 59.4 | 55% | 0.546 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 176.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y19 G20 | G17-Y19 PolarHBondContact O-N 3.19Å; G17-G20 PolarHBondContact N-O 3.36Å; G17-G20 PolarHBondContact O-N 3.12Å |
| 18 | S | 54.8 | Low | 87.2 | Confident | 101 Ų | 101 | 60.5 Ų | 60.5 | 71% | 0.706 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -13.5 | 179.4 | -30.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 19 | Y | 61 | Low | 87.2 | Confident | 48 Ų | 48 | 64.5 Ų | 64.5 | 19% | 0.188 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 8.7 | -172.3 | -50.9 | -82.2 | 0 | 0 | 0 | 113.4 | G17 E38 L166 T170 K174 | G17-Y19 PolarHBondContact O-N 3.19Å; Y19-E38 VanDerWaalsContact O-O 3.14Å; Y19-L166 HydrophobicContact CD1-CB 4.44Å; Y19-L166 HydrophobicContact CD1-CD1 3.64Å; Y19-L166 HydrophobicContact CD1-CD2 3.43Å; Y19-L166 VanDerWaalsContact CD1-CD2 3.43Å; Y19-L166 HydrophobicContact CD1-CG 4.01Å; Y19-L166 HydrophobicContact CD2-CD1 3.71Å; Y19-L166 HydrophobicContact CE1-CB 3.87Å; Y19-L166 HydrophobicContact CE1-CD1 3.81Å; Y19-L166 HydrophobicContact CE1-CD2 3.63Å; Y19-L166 HydrophobicContact CE1-CG 3.96Å; Y19-L166 HydrophobicContact CE2-CD1 3.92Å; Y19-L166 HydrophobicContact CG-CD1 3.55Å; Y19-L166 HydrophobicContact CG-CD2 4.14Å; Y19-L166 HydrophobicContact CG-CG 4.41Å; Y19-T170 HydrophobicContact CE1-CG2 4.29Å; Y19-T170 WeakPolarHBondContact CE1-OG1 3.42Å; Y19-T170 PolarHBondContact OH-OG1 2.66Å; Y19-K174 HydrophobicContact CE2-CD 4.39Å; Y19-K174 VanDerWaalsContact OH-CD 3.26Å; Y19-K174 WeakPolarHBondContact OH-CD 3.5Å; Y19-K174 WeakPolarHBondContact OH-CE 3.2Å; Y19-K174 PolarHBondContact OH-NZ 3.24Å |
| 20 | G | 74.3 | Confident | 87.1 | Confident | 29 Ų | 29 | 64.4 Ų | 64.4 | 30% | 0.299 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 136.9 | -177.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | G17 E38 | G17-G20 PolarHBondContact N-O 3.36Å; G17-G20 PolarHBondContact O-N 3.12Å; G20-E38 WeakPolarHBondContact CA-O 3.45Å |
| 21 | R | 85.9 | Confident | 87 | Confident | 109 Ų | 109 | 63.2 Ų | 63.2 | 41% | 0.411 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 141.9 | -176.1 | -61.7 | 176.2 | -63.5 | 175.2 | 6 | 110.5 | T13 Q23 E38 | T13-R21 HydrophobicContact CG2-CB 4.31Å; R21-Q23 HydrophobicContact CB-CG 4.14Å; R21-E38 HydrophobicContact CB-CG 4.47Å; R21-E38 IonicContact CZ-OE1 3.41Å; R21-E38 IonicContact CZ-OE2 3.31Å; R21-E38 VanDerWaalsContact CZ-OE2 3.26Å; R21-E38 IonicContact NE-OE1 3.17Å; R21-E38 IonicContact NE-OE2 2.75Å; R21-E38 PolarHBondContact NE-OE2 3.2Å; R21-E38 VanDerWaalsContact NH2-CD 3.32Å; R21-E38 IonicContact NH2-OE1 3.42Å; R21-E38 PolarHBondContact NH2-OE1 3.22Å; R21-E38 IonicContact NH2-OE2 3.16Å; R21-E38 PolarHBondContact NH2-OE2 3.42Å; R21-E38 PolarHBondContact O-N 2.94Å |
| 22 | C | 89.6 | Confident | 87 | Confident | 38 Ų | 38 | 64.2 Ų | 64.2 | 26% | 0.257 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 119.8 | 163.5 | -173.5 | 0 | 0 | 0 | 0 | 107.3 | I14 G15 W36 | I14-C22 PolarHBondContact N-O 3.45Å; G15-C22 PolarHBondContact N-O 3.46Å; G15-C22 PolarHBondContact O-N 2.91Å; C22-W36 WeakPolarHBondContact CA-O 2.82Å |
| 23 | Q | 94.6 | Very high | 87.1 | Confident | 14 Ų | 14 | 61.3 Ų | 61.3 | 7% | 0.065 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 143.6 | -178.6 | -51.2 | -173.7 | -49.8 | 0 | 0 | 110.7 | V10 Y12 T13 R21 V35 W36 E38 | V10-Q23 HydrophobicContact CG1-CB 4.24Å; Y12-Q23 WeakPolarHBondContact O-CA 3.24Å; T13-Q23 HydrophobicContact CG2-CG 4.5Å; T13-Q23 PolarHBondContact OG1-NE2 3.21Å; R21-Q23 HydrophobicContact CB-CG 4.14Å; Q23-V35 CarbonylContact O-C 3.51Å; Q23-V35 WeakPolarHBondContact O-CA 3.29Å; Q23-W36 PolarHBondContact N-O 3.09Å; Q23-W36 PolarHBondContact O-N 3Å; Q23-E38 PolarHBondContact OE1-OE1 3.34Å |
| 24 | K | 95.9 | Very high | 87.2 | Confident | 31 Ų | 31 | 58.5 Ų | 58.5 | 14% | 0.135 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 129.4 | 169.5 | -166.6 | 177.6 | -179 | 169.1 | 0 | 108.4 | L11 Y12 I14 I33 Y88 | L11-K24 WeakPolarHBondContact CB-O 3.5Å; L11-K24 HydrophobicContact CD1-CD 4.35Å; L11-K24 HydrophobicContact CD1-CG 4.25Å; L11-K24 PolarHBondContact N-O 2.97Å; Y12-K24 HydrophobicContact CD1-CB 4.45Å; Y12-K24 HydrophobicContact CD1-CD 4.33Å; Y12-K24 HydrophobicContact CE1-CB 4.24Å; Y12-K24 HydrophobicContact CE1-CD 3.44Å; Y12-K24 VanDerWaalsContact CE1-CD 3.44Å; Y12-K24 HydrophobicContact CE1-CG 4.45Å; Y12-K24 HydrophobicContact CE2-CB 4.33Å; Y12-K24 HydrophobicContact CE2-CD 4.31Å; Y12-K24 VanDerWaalsContact CZ-CD 3.42Å; Y12-K24 PolarHBondContact O-N 3.06Å; Y12-K24 VanDerWaalsContact OH-CD 3.25Å; Y12-K24 WeakPolarHBondContact OH-CD 3.34Å; Y12-K24 PolarHBondContact OH-NZ 3.32Å; I14-K24 HydrophobicContact CD1-CB 3.97Å; I14-K24 HydrophobicContact CG1-CB 4.06Å; K24-I33 HydrophobicContact CD-CG2 4.2Å; K24-I33 HydrophobicContact CG-CG2 3.99Å; K24-Y88 HydrophobicContact CD-CE1 4.19Å; K24-Y88 HydrophobicContact CD-CE2 4.21Å; K24-Y88 HydrophobicContact CG-CE2 4.49Å; K24-Y88 PolarHBondContact NZ-OH 3.05Å; K24-Y88 VanDerWaalsContact NZ-OH 3.17Å |
| 25 | I | 97.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 156.2 | -177.7 | 68.9 | -179.1 | 0 | 0 | 0 | 110.7 | Y8 E9 V10 L34 W36 V85 | Y8-I25 HydrophobicContact CD1-CD1 3.48Å; Y8-I25 VanDerWaalsContact CD1-CD1 3.48Å; Y8-I25 HydrophobicContact CD1-CG1 4.1Å; Y8-I25 HydrophobicContact CE1-CD1 4.08Å; Y8-I25 HydrophobicContact CG-CD1 3.94Å; E9-I25 CarbonylContact O-C 3.59Å; E9-I25 VanDerWaalsContact O-CA 3.24Å; E9-I25 WeakPolarHBondContact O-CA 3.44Å; V10-I25 HydrophobicContact CG2-CG2 4.29Å; I25-L34 HydrophobicContact CD1-CB 4.31Å; I25-L34 HydrophobicContact CG1-CB 3.84Å; I25-L34 PolarHBondContact N-O 3.02Å; I25-L34 PolarHBondContact O-N 3.09Å; I25-L34 VanDerWaalsContact O-O 3.12Å; I25-W36 HydrophobicContact CD1-CB 3.99Å; I25-W36 HydrophobicContact CD1-CD2 3.78Å; I25-W36 HydrophobicContact CD1-CE3 3.59Å; I25-W36 HydrophobicContact CD1-CG 3.96Å; I25-W36 HydrophobicContact CD1-CZ3 4.35Å; I25-W36 HydrophobicContact CG2-CD2 3.65Å; I25-W36 HydrophobicContact CG2-CE3 4.21Å; I25-W36 HydrophobicContact CG2-CG 3.88Å; I25-W36 HydrophobicContact CG2-CZ2 4.1Å; I25-V85 HydrophobicContact CD1-CG1 4.08Å; I25-V85 HydrophobicContact CD1-CG2 4.45Å |
| 26 | R | 97.6 | Very high | 88 | Confident | 93 Ų | 93 | 53.7 Ų | 53.7 | 35% | 0.351 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.3 | 170.5 | 179.9 | -176.5 | -65.2 | 135.5 | -4.2 | 108.5 | Y8 E9 L11 K32 I33 | Y8-R26 CarbonylContact C-O 3.46Å; Y8-R26 VanDerWaalsContact CA-O 3.32Å; Y8-R26 WeakPolarHBondContact CA-O 3.23Å; E9-R26 HydrophobicContact CB-CB 4.36Å; E9-R26 PolarHBondContact N-O 2.8Å; E9-R26 PolarHBondContact O-N 2.71Å; E9-R26 IonicContact OE1-NH1 2.69Å; E9-R26 IonicContact OE2-CZ 2.8Å; E9-R26 IonicContact OE2-NH1 3.41Å; E9-R26 PolarHBondContact OE2-NH1 3.09Å; L11-R26 HydrophobicContact CD1-CB 4.33Å; L11-R26 HydrophobicContact CD2-CB 4.25Å; L11-R26 HydrophobicContact CG-CB 4.39Å; R26-K32 WeakPolarHBondContact CA-O 3.39Å; R26-I33 HydrophobicContact CB-CD1 4.09Å; R26-I33 HydrophobicContact CG-CD1 4.19Å |
| 27 | R | 96.8 | Very high | 88.7 | Confident | 56 Ų | 56 | 51.1 Ų | 51.1 | 21% | 0.211 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 128.7 | 174 | -175.8 | 169 | 60.5 | -179.9 | 3 | 110.1 | Y8 S29 D30 G31 K32 L34 | Y8-R27 HydrophobicContact CD1-CB 3.84Å; Y8-R27 HydrophobicContact CD1-CG 4.13Å; Y8-R27 HydrophobicContact CE1-CB 3.73Å; Y8-R27 HydrophobicContact CE1-CG 3.74Å; R27-S29 VanDerWaalsContact C-N 3.32Å; R27-S29 WeakPolarHBondContact CG-OG 3.37Å; R27-S29 PolarHBondContact O-N 3.08Å; R27-D30 IonicContact CZ-OD1 3.56Å; R27-D30 IonicContact CZ-OD2 3.81Å; R27-D30 IonicContact NE-OD1 2.75Å; R27-D30 PolarHBondContact NE-OD1 3.19Å; R27-D30 IonicContact NE-OD2 3.99Å; R27-D30 VanDerWaalsContact NH2-CG 3.3Å; R27-D30 IonicContact NH2-OD1 2.78Å; R27-D30 PolarHBondContact NH2-OD1 3.17Å; R27-D30 IonicContact NH2-OD2 3.68Å; R27-D30 PolarHBondContact NH2-OD2 3.31Å; R27-G31 VanDerWaalsContact O-CA 3.23Å; R27-G31 WeakPolarHBondContact O-CA 3.43Å; R27-G31 PolarHBondContact O-N 3.31Å; R27-K32 PolarHBondContact N-O 2.86Å; R27-L34 HydrophobicContact CB-CD1 4.29Å |
| 28 | N | 96.4 | Very high | 89.8 | Confident | 92 Ų | 92 | 49.4 Ų | 49.4 | 49% | 0.492 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -28.9 | -172.6 | -67.6 | -16.9 | 0 | 0 | 0 | 113.2 | E6 D7 D30 | E6-N28 PolarHBondContact O-ND2 2.95Å; D7-N28 WeakPolarHBondContact O-CB 3.4Å; D7-N28 PolarHBondContact O-N 2.82Å; N28-D30 PolarHBondContact O-N 3.3Å |
| 29 | S | 95.3 | Very high | 91.3 | Very high | 101 Ų | 101 | 44.7 Ų | 44.7 | 71% | 0.706 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -30 | -175.5 | 57.2 | 0 | 0 | 0 | 0 | 114.7 | R27 | R27-S29 VanDerWaalsContact C-N 3.32Å; R27-S29 WeakPolarHBondContact CG-OG 3.37Å; R27-S29 PolarHBondContact O-N 3.08Å |
| 30 | D | 95.5 | Very high | 92.5 | Very high | 87 Ų | 87 | 46.2 Ų | 46.2 | 47% | 0.465 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -140.5 | 6.5 | -176.3 | 69.5 | -19.7 | 0 | 0 | 0 | 114.3 | R27 N28 K32 | R27-D30 IonicContact CZ-OD1 3.56Å; R27-D30 IonicContact CZ-OD2 3.81Å; R27-D30 IonicContact NE-OD1 2.75Å; R27-D30 PolarHBondContact NE-OD1 3.19Å; R27-D30 IonicContact NE-OD2 3.99Å; R27-D30 VanDerWaalsContact NH2-CG 3.3Å; R27-D30 IonicContact NH2-OD1 2.78Å; R27-D30 PolarHBondContact NH2-OD1 3.17Å; R27-D30 IonicContact NH2-OD2 3.68Å; R27-D30 PolarHBondContact NH2-OD2 3.31Å; N28-D30 PolarHBondContact O-N 3.3Å; D30-K32 PolarHBondContact O-N 3.49Å; D30-K32 WeakPolarHBondContact OD1-CB 3.44Å; D30-K32 PolarHBondContact OD1-N 3.32Å |
| 31 | G | 95.4 | Very high | 93.1 | Very high | 39 Ų | 39 | 46.8 Ų | 46.8 | 40% | 0.402 | 24% | 0.239 | S | C | . | . | trans | 67.8 | 10.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | R27 I33 | R27-G31 VanDerWaalsContact O-CA 3.23Å; R27-G31 WeakPolarHBondContact O-CA 3.43Å; R27-G31 PolarHBondContact O-N 3.31Å; G31-I33 PolarHBondContact O-N 3.39Å | ||
| 32 | K | 95.9 | Very high | 93 | Very high | 76 Ų | 76 | 43.4 Ų | 43.4 | 33% | 0.33 | 24% | 0.238 | S | C | . | . | trans | -68.8 | 131.3 | -174.1 | -174.4 | 168.7 | -175.8 | 161.4 | 0 | 111.7 | R26 R27 D30 L34 Y71 | R26-K32 WeakPolarHBondContact CA-O 3.39Å; R27-K32 PolarHBondContact N-O 2.86Å; D30-K32 PolarHBondContact O-N 3.49Å; D30-K32 WeakPolarHBondContact OD1-CB 3.44Å; D30-K32 PolarHBondContact OD1-N 3.32Å; K32-L34 HydrophobicContact CD-CD2 4.35Å; K32-L34 HydrophobicContact CG-CD2 4.27Å; K32-L34 HydrophobicContact CG-CG 4.26Å; K32-Y71 HydrophobicContact CD-CE1 4.44Å; K32-Y71 VanDerWaalsContact CE-OH 3.3Å; K32-Y71 WeakPolarHBondContact CE-OH 3.24Å; K32-Y71 PolarHBondContact NZ-OH 2.95Å | ||
| 33 | I | 96.8 | Very high | 92.6 | Very high | 50 Ų | 50 | 47.6 Ų | 47.6 | 26% | 0.256 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 127.6 | 175.7 | -55.3 | -56.4 | 0 | 0 | 0 | 110.1 | L11 K24 R26 G31 Y88 | L11-I33 HydrophobicContact CD1-CD1 3.95Å; K24-I33 HydrophobicContact CD-CG2 4.2Å; K24-I33 HydrophobicContact CG-CG2 3.99Å; R26-I33 HydrophobicContact CB-CD1 4.09Å; R26-I33 HydrophobicContact CG-CD1 4.19Å; G31-I33 PolarHBondContact O-N 3.39Å; I33-Y88 HydrophobicContact CG2-CD1 3.48Å; I33-Y88 VanDerWaalsContact CG2-CD1 3.48Å; I33-Y88 HydrophobicContact CG2-CE1 4.12Å; I33-Y88 HydrophobicContact CG2-CG 3.98Å |
| 34 | L | 95.9 | Very high | 92 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 177.6 | -177.4 | -63.9 | 169.9 | 0 | 0 | 0 | 109.3 | Y8 I25 R27 K32 Y71 V85 | Y8-L34 HydrophobicContact CE1-CD1 4.03Å; I25-L34 HydrophobicContact CD1-CB 4.31Å; I25-L34 HydrophobicContact CG1-CB 3.84Å; I25-L34 PolarHBondContact N-O 3.02Å; I25-L34 PolarHBondContact O-N 3.09Å; I25-L34 VanDerWaalsContact O-O 3.12Å; R27-L34 HydrophobicContact CB-CD1 4.29Å; K32-L34 HydrophobicContact CD-CD2 4.35Å; K32-L34 HydrophobicContact CG-CD2 4.27Å; K32-L34 HydrophobicContact CG-CG 4.26Å; L34-Y71 HydrophobicContact CD2-CD1 4.25Å; L34-Y71 HydrophobicContact CD2-CD2 3.72Å; L34-Y71 HydrophobicContact CD2-CE1 4.24Å; L34-Y71 HydrophobicContact CD2-CE2 3.7Å; L34-Y71 HydrophobicContact CD2-CG 4Å; L34-V85 HydrophobicContact CB-CG1 4.1Å; L34-V85 HydrophobicContact CD1-CG1 3.75Å; L34-V85 HydrophobicContact CG-CG1 4.44Å |
| 35 | V | 94.6 | Very high | 91.4 | Very high | 12 Ų | 12 | 49 Ų | 49 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 150.6 | 164.9 | -59.8 | 0 | 0 | 0 | 0 | 109.4 | I14 Q23 V85 M86 Y88 | I14-V35 HydrophobicContact CD1-CB 4.45Å; I14-V35 HydrophobicContact CD1-CG1 3.47Å; I14-V35 VanDerWaalsContact CD1-CG1 3.47Å; Q23-V35 CarbonylContact O-C 3.51Å; Q23-V35 WeakPolarHBondContact O-CA 3.29Å; V35-V85 CarbonylContact O-C 3.59Å; V35-V85 WeakPolarHBondContact O-CA 3.48Å; V35-M86 HydrophobicContact CG2-CB 3.88Å; V35-M86 HydrophobicContact CG2-CE 4.27Å; V35-M86 PolarHBondContact N-O 2.85Å; V35-M86 PolarHBondContact O-N 3.46Å; V35-Y88 HydrophobicContact CG1-CD2 3.47Å; V35-Y88 VanDerWaalsContact CG1-CD2 3.47Å; V35-Y88 HydrophobicContact CG1-CE2 4.41Å; V35-Y88 HydrophobicContact CG1-CG 4.13Å |
| 36 | W | 93.8 | Very high | 90.8 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.015 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 150.5 | 159.1 | 61.6 | 26.3 | 0 | 0 | 0 | 111.3 | V5 Y8 V10 C22 Q23 I25 I74 Y83 I84 V85 | V5-W36 HydrophobicContact CG1-CH2 3.75Å; V5-W36 HydrophobicContact CG1-CZ3 4.31Å; Y8-W36 HydrophobicContact CD2-CZ3 4.33Å; Y8-W36 HydrophobicContact CG-CZ3 4.29Å; V10-W36 HydrophobicContact CG2-CH2 3.93Å; V10-W36 HydrophobicContact CG2-CZ2 3.29Å; C22-W36 WeakPolarHBondContact CA-O 2.82Å; Q23-W36 PolarHBondContact N-O 3.09Å; Q23-W36 PolarHBondContact O-N 3Å; I25-W36 HydrophobicContact CD1-CB 3.99Å; I25-W36 HydrophobicContact CD1-CD2 3.78Å; I25-W36 HydrophobicContact CD1-CE3 3.59Å; I25-W36 HydrophobicContact CD1-CG 3.96Å; I25-W36 HydrophobicContact CD1-CZ3 4.35Å; I25-W36 HydrophobicContact CG2-CD2 3.65Å; I25-W36 HydrophobicContact CG2-CE3 4.21Å; I25-W36 HydrophobicContact CG2-CG 3.88Å; I25-W36 HydrophobicContact CG2-CZ2 4.1Å; W36-I74 HydrophobicContact CE3-CD1 4.01Å; W36-I74 HydrophobicContact CZ3-CD1 3.93Å; W36-Y83 AromaticContact CD2-CD1 3.5Å; W36-Y83 HydrophobicContact CD2-CD1 3.5Å; W36-Y83 VanDerWaalsContact CD2-CD1 3.5Å; W36-Y83 HydrophobicContact CD2-CE1 4.2Å; W36-Y83 HydrophobicContact CD2-CG 4.19Å; W36-Y83 AromaticContact CE2-CD1 3.58Å; W36-Y83 AromaticContact CE2-CE1 3.8Å; W36-Y83 AromaticContact CE3-CD1 3.81Å; W36-Y83 HydrophobicContact CE3-CD1 3.81Å; W36-Y83 HydrophobicContact CE3-CG 4.1Å; W36-Y83 AromaticContact CG-CD1 3.87Å; W36-Y83 HydrophobicContact CG-CD1 3.87Å; W36-Y83 HydrophobicContact CH2-CD1 4.31Å; W36-Y83 HydrophobicContact CH2-CE1 4.29Å; W36-Y83 AromaticContact CZ2-CD1 3.97Å; W36-Y83 HydrophobicContact CZ2-CD1 3.97Å; W36-Y83 AromaticContact CZ2-CE1 3.83Å; W36-Y83 HydrophobicContact CZ2-CE1 3.83Å; W36-Y83 HydrophobicContact CZ3-CD1 4.22Å; W36-Y83 HydrophobicContact CZ3-CG 4.48Å; W36-Y83 AromaticContact NE1-CD1 3.93Å; W36-I84 CarbonylContact C-O 3.52Å; W36-I84 VanDerWaalsContact CA-O 3.23Å; W36-I84 WeakPolarHBondContact CA-O 3.44Å; W36-V85 HydrophobicContact CB-CG2 4.32Å |
| 37 | K | 89.9 | Confident | 89.9 | Confident | 41 Ų | 41 | 54.9 Ų | 54.9 | 18% | 0.178 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 121.7 | 168.8 | -168.8 | 166.7 | 177.7 | 171.8 | 0 | 107.4 | L39 Y83 I84 M86 D159 L162 | K37-L39 HydrophobicContact CG-CD1 4.32Å; K37-Y83 WeakPolarHBondContact O-CA 3.49Å; K37-I84 PolarHBondContact N-O 3.44Å; K37-I84 PolarHBondContact O-N 2.84Å; K37-M86 HydrophobicContact CB-CE 4.01Å; K37-M86 HydrophobicContact CD-CE 4.5Å; K37-D159 IonicContact NZ-OD1 3.75Å; K37-D159 PolarHBondContact NZ-OD1 2.85Å; K37-D159 IonicContact NZ-OD2 3.58Å; K37-D159 PolarHBondContact NZ-OD2 3.42Å; K37-L162 HydrophobicContact CD-CD1 3.74Å |
| 38 | E | 89.4 | Confident | 89.1 | Confident | 17 Ų | 17 | 54.1 Ų | 54.1 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 137.2 | 175.7 | -58.3 | -178.7 | 177.5 | 0 | 0 | 109.6 | Y19 G20 R21 Q23 T81 L82 Y83 | Y19-E38 VanDerWaalsContact O-O 3.14Å; G20-E38 WeakPolarHBondContact CA-O 3.45Å; R21-E38 HydrophobicContact CB-CG 4.47Å; R21-E38 IonicContact CZ-OE1 3.41Å; R21-E38 IonicContact CZ-OE2 3.31Å; R21-E38 VanDerWaalsContact CZ-OE2 3.26Å; R21-E38 IonicContact NE-OE1 3.17Å; R21-E38 IonicContact NE-OE2 2.75Å; R21-E38 PolarHBondContact NE-OE2 3.2Å; R21-E38 VanDerWaalsContact NH2-CD 3.32Å; R21-E38 IonicContact NH2-OE1 3.42Å; R21-E38 PolarHBondContact NH2-OE1 3.22Å; R21-E38 IonicContact NH2-OE2 3.16Å; R21-E38 PolarHBondContact NH2-OE2 3.42Å; R21-E38 PolarHBondContact O-N 2.94Å; Q23-E38 PolarHBondContact OE1-OE1 3.34Å; E38-T81 HydrophobicContact CB-CG2 4.31Å; E38-L82 CarbonylContact C-O 3.54Å; E38-Y83 HydrophobicContact CB-CE1 4.49Å; E38-Y83 HydrophobicContact CG-CD1 3.72Å; E38-Y83 HydrophobicContact CG-CE1 3.54Å |
| 39 | L | 86.1 | Confident | 88.4 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 121.7 | 173.1 | -68.7 | 100.4 | 0 | 0 | 0 | 109.8 | K37 L52 T81 L82 I84 L162 | K37-L39 HydrophobicContact CG-CD1 4.32Å; L39-L52 HydrophobicContact CD2-CD1 4.38Å; L39-T81 CarbonylContact O-C 3.59Å; L39-T81 WeakPolarHBondContact O-CA 3.29Å; L39-L82 HydrophobicContact CB-CB 4.35Å; L39-L82 PolarHBondContact N-O 2.88Å; L39-L82 PolarHBondContact O-N 3.15Å; L39-I84 HydrophobicContact CD1-CD1 3.66Å; L39-I84 HydrophobicContact CD1-CG1 3.95Å; L39-L162 HydrophobicContact CD1-CD1 4.09Å; L39-L162 HydrophobicContact CD1-CD2 4.48Å; L39-L162 HydrophobicContact CD2-CD1 3.71Å; L39-L162 HydrophobicContact CD2-CD2 3.32Å; L39-L162 HydrophobicContact CD2-CG 4.12Å; L39-L162 HydrophobicContact CG-CD1 4.33Å |
| 40 | D | 86.1 | Confident | 87.8 | Confident | 79 Ų | 79 | 53.1 Ų | 53.1 | 42% | 0.422 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 121.8 | 168.5 | -175.9 | 8 | 0 | 0 | 0 | 109.4 | G42 T80 | D40-G42 PolarHBondContact OD1-N 3.01Å; D40-T80 VanDerWaalsContact OD1-O 3.09Å; D40-T80 PolarHBondContact OD1-OG1 2.86Å |
| 41 | Y | 85.6 | Confident | 87 | Confident | 41 Ų | 41 | 51.6 Ų | 51.6 | 16% | 0.161 | 29% | 0.289 | C | S | . | . | trans | -106.4 | 2 | 175.6 | 67.4 | -100.7 | 0 | 0 | 0 | 112.6 | T43 M44 K49 I75 R77 T80 L82 | Y41-T43 VanDerWaalsContact C-N 3.3Å; Y41-T43 PolarHBondContact O-N 3.28Å; Y41-M44 PolarHBondContact O-N 2.86Å; Y41-K49 WeakPolarHBondContact O-CE 3.15Å; Y41-I75 HydrophobicContact CE1-CG2 3.99Å; Y41-I75 WeakPolarHBondContact OH-CG2 3.47Å; Y41-R77 WeakPolarHBondContact OH-CA 3.25Å; Y41-T80 VanDerWaalsContact CD1-C 3.49Å; Y41-T80 WeakPolarHBondContact CD1-O 3.23Å; Y41-T80 VanDerWaalsContact CE1-O 3.29Å; Y41-T80 WeakPolarHBondContact CE1-O 3.37Å; Y41-T80 HydrophobicContact CE2-CG2 4.41Å; Y41-T80 PolarHBondContact N-O 3.2Å; Y41-L82 HydrophobicContact CD1-CB 4.01Å; Y41-L82 HydrophobicContact CE1-CB 4.49Å | ||
| 42 | G | 85.4 | Confident | 86.3 | Confident | 38 Ų | 38 | 50.2 Ų | 50.2 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -37.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D40 | D40-G42 PolarHBondContact OD1-N 3.01Š|
| 43 | T | 80.8 | Confident | 85.7 | Confident | 127 Ų | 127 | 49.7 Ų | 49.7 | 78% | 0.779 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -5.4 | 179.2 | 62.3 | 0 | 0 | 0 | 0 | 114.1 | Y41 | Y41-T43 VanDerWaalsContact C-N 3.3Å; Y41-T43 PolarHBondContact O-N 3.28Å |
| 44 | M | 82 | Confident | 84.8 | Confident | 26 Ų | 26 | 49.9 Ų | 49.9 | 13% | 0.128 | 28% | 0.281 | C | S | . | . | trans | -77.7 | 138.4 | -176.2 | -69.7 | -176.8 | 179.2 | 0 | 0 | 111.8 | Y41 E48 K49 L52 L166 | Y41-M44 PolarHBondContact O-N 2.86Å; M44-E48 WeakPolarHBondContact CA-OE2 3.49Å; M44-E48 HydrophobicContact CB-CB 4.1Å; M44-E48 HydrophobicContact CG-CB 4.45Å; M44-K49 HydrophobicContact CB-CG 3.94Å; M44-K49 WeakPolarHBondContact O-CE 3.27Å; M44-K49 PolarHBondContact O-NZ 3.41Å; M44-L52 HydrophobicContact SD-CD2 4.04Å; M44-L166 HydrophobicContact CE-CD2 4.49Å | ||
| 45 | A | 83.8 | Confident | 84 | Confident | 48 Ų | 48 | 50.3 Ų | 50.3 | 40% | 0.397 | 28% | 0.283 | S | S | . | . | trans | -65.6 | 158.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S47 E48 K49 | A45-S47 PolarHBondContact O-N 3.17Å; A45-E48 HydrophobicContact CB-CG 4.26Å; A45-E48 PolarHBondContact N-OE2 3.46Å; A45-E48 WeakPolarHBondContact O-CB 3.47Å; A45-E48 PolarHBondContact O-N 2.88Å; A45-K49 PolarHBondContact O-N 2.89Å | ||
| 46 | E | 83.6 | Confident | 83.5 | Confident | 136 Ų | 136 | 49.8 Ų | 49.8 | 64% | 0.636 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -61.7 | -34.4 | -178.8 | -166.3 | 58.1 | -150.7 | 0 | 0 | 112.5 | E48 K49 Q50 | E46-E48 PolarHBondContact O-N 2.59Å; E46-K49 PolarHBondContact O-N 3.18Å; E46-Q50 WeakPolarHBondContact O-CB 3.3Å; E46-Q50 PolarHBondContact O-N 2.69Å |
| 47 | S | 79.4 | Confident | 83 | Confident | 81 Ų | 81 | 51.9 Ų | 51.9 | 57% | 0.566 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -60.9 | -42.7 | 172.3 | 48.9 | 0 | 0 | 0 | 0 | 112.1 | A45 Q50 M51 | A45-S47 PolarHBondContact O-N 3.17Å; S47-Q50 PolarHBondContact O-N 3.37Å; S47-M51 WeakPolarHBondContact O-CG 3.43Å; S47-M51 PolarHBondContact O-N 3.16Å |
| 48 | E | 79.3 | Confident | 82.5 | Confident | 40 Ų | 40 | 51.3 Ų | 51.3 | 19% | 0.187 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.3 | -41.3 | 178.2 | -62.8 | 178.5 | 119 | 0 | 0 | 111.8 | M44 A45 E46 Q50 M51 L52 I165 | M44-E48 WeakPolarHBondContact CA-OE2 3.49Å; M44-E48 HydrophobicContact CB-CB 4.1Å; M44-E48 HydrophobicContact CG-CB 4.45Å; A45-E48 HydrophobicContact CB-CG 4.26Å; A45-E48 PolarHBondContact N-OE2 3.46Å; A45-E48 WeakPolarHBondContact O-CB 3.47Å; A45-E48 PolarHBondContact O-N 2.88Å; E46-E48 PolarHBondContact O-N 2.59Å; E48-Q50 VanDerWaalsContact C-N 3.34Å; E48-Q50 PolarHBondContact O-N 3.13Å; E48-M51 HydrophobicContact CB-CE 4.43Å; E48-M51 HydrophobicContact CG-CE 4.14Å; E48-M51 PolarHBondContact O-N 3.28Å; E48-L52 WeakPolarHBondContact O-CB 3.34Å; E48-L52 PolarHBondContact O-N 3.49Å; E48-I165 HydrophobicContact CB-CG2 4.28Å |
| 49 | K | 82.8 | Confident | 82.2 | Confident | 60 Ų | 60 | 51.6 Ų | 51.6 | 26% | 0.261 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 173.1 | -67.9 | 175.2 | -173.8 | 164.5 | 0 | 111.7 | Y41 M44 A45 E46 M51 L52 V53 | Y41-K49 WeakPolarHBondContact O-CE 3.15Å; M44-K49 HydrophobicContact CB-CG 3.94Å; M44-K49 WeakPolarHBondContact O-CE 3.27Å; M44-K49 PolarHBondContact O-NZ 3.41Å; A45-K49 PolarHBondContact O-N 2.89Å; E46-K49 PolarHBondContact O-N 3.18Å; K49-M51 VanDerWaalsContact C-N 3.33Å; K49-M51 PolarHBondContact O-N 3.17Å; K49-L52 WeakPolarHBondContact O-CB 3.12Å; K49-L52 PolarHBondContact O-N 3.27Å; K49-L52 VanDerWaalsContact O-N 3.12Å; K49-V53 WeakPolarHBondContact O-CG2 3.48Å; K49-V53 PolarHBondContact O-N 3.49Å |
| 50 | Q | 82.1 | Confident | 82.2 | Confident | 111 Ų | 111 | 57.3 Ų | 57.3 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.6 | -38.7 | 177.4 | -176.1 | 57.9 | 43.4 | 0 | 0 | 111.8 | E46 S47 E48 L52 S54 | E46-Q50 WeakPolarHBondContact O-CB 3.3Å; E46-Q50 PolarHBondContact O-N 2.69Å; S47-Q50 PolarHBondContact O-N 3.37Å; E48-Q50 VanDerWaalsContact C-N 3.34Å; E48-Q50 PolarHBondContact O-N 3.13Å; Q50-L52 VanDerWaalsContact C-N 3.34Å; Q50-S54 PolarHBondContact O-N 3.33Å; Q50-S54 VanDerWaalsContact O-N 3.14Å; Q50-S54 PolarHBondContact O-OG 3.49Å |
| 51 | M | 77.4 | Confident | 82.1 | Confident | 55 Ų | 55 | 56.9 Ų | 56.9 | 27% | 0.271 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.4 | -41.2 | 171.9 | -63.6 | -173.8 | -79.5 | 0 | 0 | 110.7 | S47 E48 K49 V53 S54 E55 I165 | S47-M51 WeakPolarHBondContact O-CG 3.43Å; S47-M51 PolarHBondContact O-N 3.16Å; E48-M51 HydrophobicContact CB-CE 4.43Å; E48-M51 HydrophobicContact CG-CE 4.14Å; E48-M51 PolarHBondContact O-N 3.28Å; K49-M51 VanDerWaalsContact C-N 3.33Å; K49-M51 PolarHBondContact O-N 3.17Å; M51-V53 VanDerWaalsContact C-N 3.35Å; M51-V53 PolarHBondContact O-N 2.94Å; M51-S54 CarbonylContact O-C 3.57Å; M51-S54 WeakPolarHBondContact O-CA 3.33Å; M51-S54 VanDerWaalsContact O-CB 3.3Å; M51-S54 WeakPolarHBondContact O-CB 3.47Å; M51-S54 PolarHBondContact O-N 2.83Å; M51-E55 PolarHBondContact O-N 3.34Å; M51-I165 HydrophobicContact CB-CD1 3.84Å; M51-I165 HydrophobicContact CB-CG1 3.56Å; M51-I165 HydrophobicContact CB-CG2 4.36Å; M51-I165 HydrophobicContact CE-CG2 4.33Å; M51-I165 WeakPolarHBondContact O-CD1 3.32Å |
| 52 | L | 81.3 | Confident | 82 | Confident | 11 Ų | 11 | 55.4 Ų | 55.4 | 6% | 0.058 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.2 | -43.7 | 179.1 | -177.9 | 60.7 | 0 | 0 | 0 | 112.1 | L39 M44 E48 K49 Q50 S54 E55 V56 L82 L162 I165 | L39-L52 HydrophobicContact CD2-CD1 4.38Å; M44-L52 HydrophobicContact SD-CD2 4.04Å; E48-L52 WeakPolarHBondContact O-CB 3.34Å; E48-L52 PolarHBondContact O-N 3.49Å; K49-L52 WeakPolarHBondContact O-CB 3.12Å; K49-L52 PolarHBondContact O-N 3.27Å; K49-L52 VanDerWaalsContact O-N 3.12Å; Q50-L52 VanDerWaalsContact C-N 3.34Å; L52-S54 VanDerWaalsContact C-N 3.28Å; L52-S54 PolarHBondContact O-N 2.75Å; L52-E55 PolarHBondContact O-N 2.83Å; L52-V56 HydrophobicContact CD1-CG2 4.27Å; L52-V56 WeakPolarHBondContact O-CB 3.39Å; L52-V56 VanDerWaalsContact O-CG2 3.27Å; L52-V56 WeakPolarHBondContact O-CG2 3.47Å; L52-V56 PolarHBondContact O-N 3.05Å; L52-L82 HydrophobicContact CD1-CD2 4.17Å; L52-L82 HydrophobicContact CD2-CD2 3.62Å; L52-L82 HydrophobicContact CG-CD2 3.91Å; L52-L162 HydrophobicContact CD1-CD2 3.53Å; L52-I165 HydrophobicContact CB-CD1 3.84Å; L52-I165 HydrophobicContact CD1-CD1 4.17Å |
| 53 | V | 83.2 | Confident | 82.1 | Confident | 64 Ų | 64 | 60.2 Ų | 60.2 | 39% | 0.388 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.7 | -42.8 | 172.4 | 171.8 | 0 | 0 | 0 | 0 | 111.1 | K49 M51 N57 | K49-V53 WeakPolarHBondContact O-CG2 3.48Å; K49-V53 PolarHBondContact O-N 3.49Å; M51-V53 VanDerWaalsContact C-N 3.35Å; M51-V53 PolarHBondContact O-N 2.94Å; V53-N57 WeakPolarHBondContact O-CB 3.33Å; V53-N57 PolarHBondContact O-N 3.24Å; V53-N57 PolarHBondContact O-ND2 3.46Å; V53-N57 VanDerWaalsContact O-ND2 3.09Å |
| 54 | S | 79.1 | Confident | 82.5 | Confident | 55 Ų | 55 | 55.3 Ų | 55.3 | 39% | 0.385 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.1 | -44.4 | -179.6 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | Q50 M51 L52 N57 L58 | Q50-S54 PolarHBondContact O-N 3.33Å; Q50-S54 VanDerWaalsContact O-N 3.14Å; Q50-S54 PolarHBondContact O-OG 3.49Å; M51-S54 CarbonylContact O-C 3.57Å; M51-S54 WeakPolarHBondContact O-CA 3.33Å; M51-S54 VanDerWaalsContact O-CB 3.3Å; M51-S54 WeakPolarHBondContact O-CB 3.47Å; M51-S54 PolarHBondContact O-N 2.83Å; L52-S54 VanDerWaalsContact C-N 3.28Å; L52-S54 PolarHBondContact O-N 2.75Å; S54-N57 PolarHBondContact O-N 3.36Å; S54-L58 PolarHBondContact O-N 2.99Å |
| 55 | E | 78.6 | Confident | 82.9 | Confident | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.9 | -42.8 | 177.1 | -65.3 | -66.3 | 164.3 | 0 | 0 | 112.3 | M51 L52 N57 L58 L59 G161 R164 I165 | M51-E55 PolarHBondContact O-N 3.34Å; L52-E55 PolarHBondContact O-N 2.83Å; E55-N57 VanDerWaalsContact C-N 3.27Å; E55-N57 PolarHBondContact O-N 2.91Å; E55-L58 WeakPolarHBondContact O-CB 3Å; E55-L58 PolarHBondContact O-N 3.19Å; E55-L58 VanDerWaalsContact O-N 3.13Å; E55-L59 WeakPolarHBondContact O-CG 3.41Å; E55-L59 PolarHBondContact O-N 3.02Å; E55-G161 WeakPolarHBondContact CB-O 3.23Å; E55-R164 WeakPolarHBondContact OE1-CB 3.23Å; E55-R164 WeakPolarHBondContact OE1-CD 3.49Å; E55-R164 IonicContact OE1-CZ 3.64Å; E55-R164 IonicContact OE1-NE 3.46Å; E55-R164 PolarHBondContact OE1-NE 3.18Å; E55-R164 IonicContact OE1-NH2 2.73Å; E55-I165 HydrophobicContact CB-CD1 4.04Å; E55-I165 HydrophobicContact CG-CD1 3.42Å; E55-I165 VanDerWaalsContact CG-CD1 3.42Å; E55-I165 HydrophobicContact CG-CG1 3.83Å |
| 56 | V | 83.3 | Confident | 83.4 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62 | -37.5 | 176.1 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | L52 L59 R60 Y70 L82 I84 | L52-V56 HydrophobicContact CD1-CG2 4.27Å; L52-V56 WeakPolarHBondContact O-CB 3.39Å; L52-V56 VanDerWaalsContact O-CG2 3.27Å; L52-V56 WeakPolarHBondContact O-CG2 3.47Å; L52-V56 PolarHBondContact O-N 3.05Å; V56-L59 PolarHBondContact O-N 3.16Å; V56-R60 WeakPolarHBondContact O-CB 3.42Å; V56-R60 PolarHBondContact O-N 3.49Å; V56-R60 VanDerWaalsContact O-N 3.1Å; V56-Y70 HydrophobicContact CG1-CE2 3.99Å; V56-L82 HydrophobicContact CG2-CD2 4.37Å; V56-I84 HydrophobicContact CG2-CD1 3.86Å; V56-I84 HydrophobicContact CG2-CG1 4.4Å |
| 57 | N | 83.2 | Confident | 83.8 | Confident | 47 Ų | 47 | 47 Ų | 47 | 25% | 0.251 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66 | -39.5 | 175.1 | -72.4 | -29.4 | 0 | 0 | 0 | 111.9 | V53 S54 E55 R60 E61 | V53-N57 WeakPolarHBondContact O-CB 3.33Å; V53-N57 PolarHBondContact O-N 3.24Å; V53-N57 PolarHBondContact O-ND2 3.46Å; V53-N57 VanDerWaalsContact O-ND2 3.09Å; S54-N57 PolarHBondContact O-N 3.36Å; E55-N57 VanDerWaalsContact C-N 3.27Å; E55-N57 PolarHBondContact O-N 2.91Å; N57-R60 PolarHBondContact O-N 3.11Å; N57-E61 WeakPolarHBondContact O-CG 3.25Å; N57-E61 PolarHBondContact O-N 2.97Å |
| 58 | L | 80.2 | Confident | 84.4 | Confident | 29 Ų | 29 | 44.1 Ų | 44.1 | 15% | 0.152 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -47.4 | 175 | -177.8 | 159.9 | 0 | 0 | 0 | 111.1 | S54 E55 R60 E61 L62 V137 | S54-L58 PolarHBondContact O-N 2.99Å; E55-L58 WeakPolarHBondContact O-CB 3Å; E55-L58 PolarHBondContact O-N 3.19Å; E55-L58 VanDerWaalsContact O-N 3.13Å; L58-R60 PolarHBondContact O-N 3.32Å; L58-E61 WeakPolarHBondContact O-CB 3.4Å; L58-E61 PolarHBondContact O-N 3.32Å; L58-L62 HydrophobicContact CD2-CD1 3.67Å; L58-L62 HydrophobicContact CD2-CG 4.13Å; L58-L62 PolarHBondContact O-N 3.15Å; L58-V137 HydrophobicContact CD1-CG1 4.2Å; L58-V137 HydrophobicContact CD1-CG2 3.77Å; L58-V137 HydrophobicContact CD2-CG1 3.83Å; L58-V137 HydrophobicContact CD2-CG2 4.19Å; L58-V137 HydrophobicContact CG-CG2 4.14Å |
| 59 | L | 82.8 | Confident | 85 | Confident | 23 Ų | 23 | 45.8 Ų | 45.8 | 12% | 0.12 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.5 | -40 | 175.8 | -76.1 | 178.8 | 0 | 0 | 0 | 112.6 | E55 V56 E61 L62 Y70 F160 | E55-L59 WeakPolarHBondContact O-CG 3.41Å; E55-L59 PolarHBondContact O-N 3.02Å; V56-L59 PolarHBondContact O-N 3.16Å; L59-E61 VanDerWaalsContact C-N 3.27Å; L59-E61 PolarHBondContact O-N 3.46Å; L59-L62 PolarHBondContact O-N 3.38Å; L59-Y70 HydrophobicContact CB-CD2 4.34Å; L59-F160 HydrophobicContact CD2-CB 3.35Å; L59-F160 HydrophobicContact CD2-CG 4.42Å |
| 60 | R | 85.5 | Confident | 85.5 | Confident | 122 Ų | 122 | 44.3 Ų | 44.3 | 46% | 0.46 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.1 | -29.1 | 178.1 | -176.6 | -177.7 | 65.8 | 178.2 | -1.5 | 113 | V56 N57 L58 Y70 | V56-R60 WeakPolarHBondContact O-CB 3.42Å; V56-R60 PolarHBondContact O-N 3.49Å; V56-R60 VanDerWaalsContact O-N 3.1Å; N57-R60 PolarHBondContact O-N 3.11Å; L58-R60 PolarHBondContact O-N 3.32Å; R60-Y70 HydrophobicContact CB-CD1 3.75Å; R60-Y70 HydrophobicContact CB-CE1 3.82Å; R60-Y70 HydrophobicContact CB-CG 4.3Å; R60-Y70 HydrophobicContact CG-CD1 3.8Å; R60-Y70 HydrophobicContact CG-CE1 3.72Å |
| 61 | E | 83.7 | Confident | 86 | Confident | 70 Ų | 70 | 42.4 Ų | 42.4 | 33% | 0.327 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -79.8 | -31.4 | 179.9 | -70 | 175.7 | 175.1 | 0 | 0 | 112.5 | N57 L58 L59 K63 R130 R134 | N57-E61 WeakPolarHBondContact O-CG 3.25Å; N57-E61 PolarHBondContact O-N 2.97Å; L58-E61 WeakPolarHBondContact O-CB 3.4Å; L58-E61 PolarHBondContact O-N 3.32Å; L59-E61 VanDerWaalsContact C-N 3.27Å; L59-E61 PolarHBondContact O-N 3.46Å; E61-K63 PolarHBondContact O-N 2.97Å; E61-R130 IonicContact OE2-CZ 3.94Å; E61-R130 IonicContact OE2-NH1 2.68Å; E61-R130 PolarHBondContact OE2-NH1 3.41Å; E61-R130 IonicContact OE2-NH2 3.78Å; E61-R130 PolarHBondContact OE2-NH2 2.9Å; E61-R134 IonicContact OE1-CZ 2.79Å; E61-R134 IonicContact OE1-NH1 3.61Å; E61-R134 PolarHBondContact OE1-NH1 3.42Å; E61-R134 IonicContact OE1-NH2 2.72Å; E61-R134 IonicContact OE2-CZ 3.48Å; E61-R134 IonicContact OE2-NH1 3.61Å; E61-R134 PolarHBondContact OE2-NH1 3.12Å |
| 62 | L | 84.3 | Confident | 86.7 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.052 | 20% | 0.199 | C | C | . | . | trans | -67.8 | 102 | 179.3 | -67.1 | 175.9 | 0 | 0 | 0 | 111.6 | L58 L59 I67 F160 | L58-L62 HydrophobicContact CD2-CD1 3.67Å; L58-L62 HydrophobicContact CD2-CG 4.13Å; L58-L62 PolarHBondContact O-N 3.15Å; L59-L62 PolarHBondContact O-N 3.38Å; L62-I67 HydrophobicContact CB-CD1 4.41Å; L62-I67 HydrophobicContact CB-CG2 4.33Å; L62-F160 HydrophobicContact CD1-CB 4.33Å; L62-F160 HydrophobicContact CD1-CD1 3.92Å; L62-F160 HydrophobicContact CD1-CD2 4.41Å; L62-F160 HydrophobicContact CD1-CE1 4.29Å; L62-F160 HydrophobicContact CD1-CG 3.97Å | ||
| 63 | K | 87.3 | Confident | 87.2 | Confident | 139 Ų | 139 | 45.5 Ų | 45.5 | 60% | 0.604 | 21% | 0.213 | S | C | * | . | trans | -122.3 | 77.3 | -176.7 | -70.2 | 177.6 | -175 | 172.5 | 0 | 111.6 | E61 | E61-K63 PolarHBondContact O-N 2.97Š| ||
| 64 | H | 89.3 | Confident | 87.6 | Confident | 25 Ų | 25 | 42.6 Ų | 42.6 | 12% | 0.116 | 20% | 0.196 | C | C | . | . | trans | -123.5 | 147 | 178.3 | -167.5 | -97.2 | 0 | 0 | 0 | 111.5 | N66 I67 E126 | H64-N66 PolarHBondContact CE1-OD1 3.25Å; H64-N66 PolarHBondContact ND1-N 2.86Å; H64-N66 VanDerWaalsContact ND1-N 3.12Å; H64-N66 PolarHBondContact O-N 3.43Å; H64-I67 HydrophobicContact CB-CB 4.01Å; H64-I67 HydrophobicContact CB-CD1 3.74Å; H64-I67 HydrophobicContact CB-CG1 3.83Å; H64-I67 PolarHBondContact O-N 2.86Å; H64-I67 VanDerWaalsContact O-O 3.14Å; H64-E126 HydrophobicContact CB-CB 4.38Å; H64-E126 HydrophobicContact CB-CG 4.07Å | ||
| 65 | P | 91.7 | Very high | 88.2 | Confident | 31 Ų | 31 | 44.1 Ų | 44.1 | 20% | 0.201 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -33.2 | 176.2 | 22 | -35.1 | 0 | 0 | 0 | 113.8 | K156 V282 | P65-K156 PolarHBondContact O-NZ 3.17Å; P65-V282 HydrophobicContact CG-CG2 3.74Å |
| 66 | N | 93.6 | Very high | 88.8 | Confident | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 18.9 | 179.4 | -50 | 103.2 | 0 | 0 | 0 | 113.2 | H64 Q119 A123 V155 K156 L157 | H64-N66 PolarHBondContact CE1-OD1 3.25Å; H64-N66 PolarHBondContact ND1-N 2.86Å; H64-N66 VanDerWaalsContact ND1-N 3.12Å; H64-N66 PolarHBondContact O-N 3.43Å; N66-Q119 HydrophobicContact CB-CB 4.33Å; N66-Q119 WeakPolarHBondContact CB-O 3.23Å; N66-Q119 WeakPolarHBondContact ND2-CB 3.26Å; N66-Q119 WeakPolarHBondContact ND2-CG 3.4Å; N66-Q119 PolarHBondContact ND2-OE1 2.97Å; N66-Q119 VanDerWaalsContact ND2-OE1 3.16Å; N66-A123 HydrophobicContact CB-CB 4.07Å; N66-A123 WeakPolarHBondContact O-CB 3.44Å; N66-V155 WeakPolarHBondContact CA-O 3.42Å; N66-V155 WeakPolarHBondContact CB-O 3.45Å; N66-V155 PolarHBondContact ND2-O 3.27Å; N66-V155 VanDerWaalsContact ND2-O 3.13Å; N66-K156 WeakPolarHBondContact O-CA 3.45Å; N66-L157 WeakPolarHBondContact O-CB 3.34Å; N66-L157 PolarHBondContact O-N 3.24Å |
| 67 | I | 92.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -119.6 | 134.9 | 169.7 | -68.6 | 178.1 | 0 | 0 | 0 | 107.4 | L62 H64 R69 A123 E126 L157 F160 | L62-I67 HydrophobicContact CB-CD1 4.41Å; L62-I67 HydrophobicContact CB-CG2 4.33Å; H64-I67 HydrophobicContact CB-CB 4.01Å; H64-I67 HydrophobicContact CB-CD1 3.74Å; H64-I67 HydrophobicContact CB-CG1 3.83Å; H64-I67 PolarHBondContact O-N 2.86Å; H64-I67 VanDerWaalsContact O-O 3.14Å; I67-R69 PolarHBondContact O-N 2.96Å; I67-A123 HydrophobicContact CG1-CB 3.95Å; I67-E126 HydrophobicContact CD1-CB 4.3Å; I67-E126 HydrophobicContact CD1-CG 4.22Å; I67-L157 CarbonylContact C-O 3.48Å; I67-L157 WeakPolarHBondContact CA-O 3.37Å; I67-F160 HydrophobicContact CB-CE2 3.99Å; I67-F160 HydrophobicContact CB-CZ 4.45Å; I67-F160 HydrophobicContact CD1-CE1 4.48Å; I67-F160 HydrophobicContact CD1-CE2 3.99Å; I67-F160 HydrophobicContact CD1-CZ 3.62Å; I67-F160 HydrophobicContact CG1-CE2 3.68Å; I67-F160 HydrophobicContact CG1-CZ 3.65Å; I67-F160 HydrophobicContact CG2-CD2 3.92Å; I67-F160 HydrophobicContact CG2-CE2 3.39Å; I67-F160 HydrophobicContact CG2-CZ 4.16Å |
| 68 | V | 92.5 | Very high | 89.4 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 12% | 0.115 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 120.5 | 174.7 | 174.1 | 0 | 0 | 0 | 0 | 108.6 | Y70 M86 E87 F148 K156 L157 | V68-Y70 PolarHBondContact O-N 3.49Å; V68-M86 HydrophobicContact CG1-CB 4.09Å; V68-E87 HydrophobicContact CG1-CB 4.08Å; V68-F148 HydrophobicContact CG2-CD2 3.7Å; V68-F148 HydrophobicContact CG2-CE2 4.37Å; V68-F148 HydrophobicContact CG2-CG 4.47Å; V68-K156 HydrophobicContact CG2-CB 3.8Å; V68-L157 WeakPolarHBondContact CG2-O 3.28Å; V68-L157 PolarHBondContact N-O 3.3Å |
| 69 | R | 91.8 | Very high | 89.9 | Confident | 76 Ų | 76 | 62.2 Ų | 62.2 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 125.4 | -174 | 176.6 | 60.4 | 62 | 91.5 | 1.8 | 111.4 | I67 Y71 M86 E87 | I67-R69 PolarHBondContact O-N 2.96Å; R69-Y71 HydrophobicContact CB-CD2 4.45Å; R69-Y71 HydrophobicContact CB-CE2 3.92Å; R69-Y71 HydrophobicContact CG-CD2 4.02Å; R69-Y71 HydrophobicContact CG-CE2 3.65Å; R69-Y71 WeakPolarHBondContact O-CD2 3.41Å; R69-M86 CarbonylContact O-C 3.56Å; R69-M86 WeakPolarHBondContact O-CA 3.46Å; R69-E87 HydrophobicContact CB-CB 4.03Å; R69-E87 PolarHBondContact N-OE2 3.36Å; R69-E87 VanDerWaalsContact N-OE2 3.07Å; R69-E87 PolarHBondContact O-N 2.9Å |
| 70 | Y | 92 | Very high | 90.2 | Very high | 28 Ų | 28 | 63.6 Ų | 63.6 | 11% | 0.11 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 133.9 | 160.8 | 174.9 | -84.9 | 0 | 0 | 0 | 110.6 | V56 L59 R60 V68 D72 R73 I84 | V56-Y70 HydrophobicContact CG1-CE2 3.99Å; L59-Y70 HydrophobicContact CB-CD2 4.34Å; R60-Y70 HydrophobicContact CB-CD1 3.75Å; R60-Y70 HydrophobicContact CB-CE1 3.82Å; R60-Y70 HydrophobicContact CB-CG 4.3Å; R60-Y70 HydrophobicContact CG-CD1 3.8Å; R60-Y70 HydrophobicContact CG-CE1 3.72Å; V68-Y70 PolarHBondContact O-N 3.49Å; Y70-D72 WeakPolarHBondContact CE2-O 3.32Å; Y70-D72 VanDerWaalsContact CZ-C 3.42Å; Y70-D72 PolarHBondContact OH-O 2.82Å; Y70-R73 WeakPolarHBondContact OH-CB 3.44Å; Y70-R73 PolarHBondContact OH-N 3.19Å; Y70-R73 VanDerWaalsContact OH-N 3.16Å; Y70-I84 HydrophobicContact CD2-CG2 3.99Å; Y70-I84 HydrophobicContact CE2-CG2 3.98Å |
| 71 | Y | 92.4 | Very high | 90.5 | Very high | 71 Ų | 71 | 58.7 Ų | 58.7 | 28% | 0.278 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -51.5 | 175.2 | -81.9 | -95.7 | 0 | 0 | 0 | 112 | K32 L34 R69 V85 E87 | K32-Y71 HydrophobicContact CD-CE1 4.44Å; K32-Y71 VanDerWaalsContact CE-OH 3.3Å; K32-Y71 WeakPolarHBondContact CE-OH 3.24Å; K32-Y71 PolarHBondContact NZ-OH 2.95Å; L34-Y71 HydrophobicContact CD2-CD1 4.25Å; L34-Y71 HydrophobicContact CD2-CD2 3.72Å; L34-Y71 HydrophobicContact CD2-CE1 4.24Å; L34-Y71 HydrophobicContact CD2-CE2 3.7Å; L34-Y71 HydrophobicContact CD2-CG 4Å; R69-Y71 HydrophobicContact CB-CD2 4.45Å; R69-Y71 HydrophobicContact CB-CE2 3.92Å; R69-Y71 HydrophobicContact CG-CD2 4.02Å; R69-Y71 HydrophobicContact CG-CE2 3.65Å; R69-Y71 WeakPolarHBondContact O-CD2 3.41Å; Y71-V85 PolarHBondContact N-O 3.01Å; Y71-E87 HydrophobicContact CE2-CB 3.99Å |
| 72 | D | 92.3 | Very high | 90.8 | Very high | 38 Ų | 38 | 56 Ų | 56 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 169.3 | -168.1 | -150.2 | -6.5 | 0 | 0 | 0 | 113.5 | S3 Y8 Y70 V85 | S3-D72 WeakPolarHBondContact CB-OD2 3.38Å; S3-D72 PolarHBondContact OG-OD2 3.16Å; Y8-D72 PolarHBondContact OH-OD2 3.18Å; Y70-D72 WeakPolarHBondContact CE2-O 3.32Å; Y70-D72 VanDerWaalsContact CZ-C 3.42Å; Y70-D72 PolarHBondContact OH-O 2.82Å; D72-V85 HydrophobicContact CB-CB 3.92Å; D72-V85 HydrophobicContact CB-CG2 4.06Å; D72-V85 PolarHBondContact N-O 3.49Å; D72-V85 PolarHBondContact O-N 3.19Å |
| 73 | R | 91.8 | Very high | 91.1 | Very high | 94 Ų | 94 | 56.5 Ų | 56.5 | 36% | 0.355 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 139.3 | 168.2 | 70.7 | -176.2 | -173.2 | -157.2 | 0.8 | 110.7 | Y70 L82 Y83 | Y70-R73 WeakPolarHBondContact OH-CB 3.44Å; Y70-R73 PolarHBondContact OH-N 3.19Å; Y70-R73 VanDerWaalsContact OH-N 3.16Å; R73-L82 HydrophobicContact CB-CD1 4.23Å; R73-Y83 CarbonylContact C-O 3.57Å; R73-Y83 VanDerWaalsContact CA-O 3.27Å; R73-Y83 WeakPolarHBondContact CA-O 3.34Å |
| 74 | I | 93.1 | Very high | 91.3 | Very high | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.015 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132 | 178.1 | -50.2 | 164 | 0 | 0 | 0 | 107.6 | V5 Y8 W36 Y83 V85 | V5-I74 HydrophobicContact CG2-CG2 3.7Å; Y8-I74 HydrophobicContact CD2-CD1 3.6Å; Y8-I74 HydrophobicContact CE2-CD1 3.47Å; Y8-I74 VanDerWaalsContact CE2-CD1 3.47Å; Y8-I74 HydrophobicContact CE2-CG1 4.4Å; W36-I74 HydrophobicContact CE3-CD1 4.01Å; W36-I74 HydrophobicContact CZ3-CD1 3.93Å; I74-Y83 HydrophobicContact CB-CD2 4.27Å; I74-Y83 HydrophobicContact CG2-CD2 4.46Å; I74-Y83 PolarHBondContact N-O 3.29Å; I74-Y83 PolarHBondContact O-N 2.82Å; I74-V85 HydrophobicContact CD1-CG2 4Å; I74-V85 HydrophobicContact CG1-CG2 4.37Å |
| 75 | I | 91.6 | Very high | 91.6 | Very high | 87 Ų | 87 | 48.9 Ų | 48.9 | 45% | 0.446 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 110.2 | 179.6 | -58 | 174.6 | 0 | 0 | 0 | 107.7 | Y41 R77 L82 | Y41-I75 HydrophobicContact CE1-CG2 3.99Å; Y41-I75 WeakPolarHBondContact OH-CG2 3.47Å; I75-R77 HydrophobicContact CG2-CG 3.98Å; I75-L82 HydrophobicContact CG1-CD1 3.81Å |
| 76 | D | 91.1 | Very high | 91.6 | Very high | 28 Ų | 28 | 49.1 Ų | 49.1 | 15% | 0.15 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 99.5 | 168.8 | -178.6 | -6.4 | 0 | 0 | 0 | 108.8 | V5 T78 N79 T80 T81 Y83 | V5-D76 HydrophobicContact CG2-CB 4.37Å; D76-T78 VanDerWaalsContact C-N 3.29Å; D76-T78 PolarHBondContact O-N 2.94Å; D76-T78 WeakPolarHBondContact OD1-CB 3.43Å; D76-T78 PolarHBondContact OD1-N 3.16Å; D76-N79 PolarHBondContact OD1-N 3Å; D76-N79 PolarHBondContact OD2-ND2 3.46Å; D76-T80 WeakPolarHBondContact O-CA 3.49Å; D76-T80 PolarHBondContact O-N 2.85Å; D76-T80 VanDerWaalsContact O-N 3.09Å; D76-T81 PolarHBondContact N-O 2.73Å; D76-T81 PolarHBondContact O-N 3.31Å; D76-Y83 HydrophobicContact CB-CE2 3.92Å |
| 77 | R | 89.3 | Confident | 91.6 | Very high | 210 Ų | 210 | 51 Ų | 51 | 79% | 0.792 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -26.3 | -178.7 | -65.5 | -176.1 | -179.6 | 178.4 | -0.5 | 113.1 | Y41 I75 | Y41-R77 WeakPolarHBondContact OH-CA 3.25Å; I75-R77 HydrophobicContact CG2-CG 3.98Å |
| 78 | T | 89.8 | Confident | 91.7 | Very high | 128 Ų | 128 | 53.2 Ų | 53.2 | 79% | 0.785 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69 | -43.2 | -178.6 | -50.9 | 0 | 0 | 0 | 0 | 110.1 | D76 | D76-T78 VanDerWaalsContact C-N 3.29Å; D76-T78 PolarHBondContact O-N 2.94Å; D76-T78 WeakPolarHBondContact OD1-CB 3.43Å; D76-T78 PolarHBondContact OD1-N 3.16Å |
| 79 | N | 89.1 | Confident | 91.8 | Very high | 99 Ų | 99 | 53 Ų | 53 | 53% | 0.529 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 12.8 | -179.5 | -62.2 | -48 | 0 | 0 | 0 | 113.3 | D76 T81 | D76-N79 PolarHBondContact OD1-N 3Å; D76-N79 PolarHBondContact OD2-ND2 3.46Å; N79-T81 PolarHBondContact O-N 2.99Å; N79-T81 PolarHBondContact O-OG1 3.37Å |
| 80 | T | 91.1 | Very high | 91.7 | Very high | 52 Ų | 52 | 54.9 Ų | 54.9 | 32% | 0.319 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.1 | 37.2 | -175.3 | 58.9 | 0 | 0 | 0 | 0 | 114.2 | D40 Y41 D76 | D40-T80 VanDerWaalsContact OD1-O 3.09Å; D40-T80 PolarHBondContact OD1-OG1 2.86Å; Y41-T80 VanDerWaalsContact CD1-C 3.49Å; Y41-T80 WeakPolarHBondContact CD1-O 3.23Å; Y41-T80 VanDerWaalsContact CE1-O 3.29Å; Y41-T80 WeakPolarHBondContact CE1-O 3.37Å; Y41-T80 HydrophobicContact CE2-CG2 4.41Å; Y41-T80 PolarHBondContact N-O 3.2Å; D76-T80 WeakPolarHBondContact O-CA 3.49Å; D76-T80 PolarHBondContact O-N 2.85Å; D76-T80 VanDerWaalsContact O-N 3.09Å |
| 81 | T | 90.3 | Very high | 91.7 | Very high | 20 Ų | 20 | 55.5 Ų | 55.5 | 12% | 0.123 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129.6 | -172 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | E38 L39 D76 N79 Y83 | E38-T81 HydrophobicContact CB-CG2 4.31Å; L39-T81 CarbonylContact O-C 3.59Å; L39-T81 WeakPolarHBondContact O-CA 3.29Å; D76-T81 PolarHBondContact N-O 2.73Å; D76-T81 PolarHBondContact O-N 3.31Å; N79-T81 PolarHBondContact O-N 2.99Å; N79-T81 PolarHBondContact O-OG1 3.37Å; T81-Y83 HydrophobicContact CG2-CD1 4.5Å; T81-Y83 HydrophobicContact CG2-CD2 4.05Å; T81-Y83 HydrophobicContact CG2-CE1 4.07Å; T81-Y83 HydrophobicContact CG2-CE2 3.55Å; T81-Y83 HydrophobicContact CG2-CG 4.49Å |
| 82 | L | 89.9 | Confident | 91.7 | Very high | 13 Ų | 13 | 53.5 Ų | 53.5 | 7% | 0.068 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 125.2 | 168.4 | 174.3 | 71.2 | 0 | 0 | 0 | 108.9 | E38 L39 Y41 L52 V56 R73 I75 I84 | E38-L82 CarbonylContact C-O 3.54Å; L39-L82 HydrophobicContact CB-CB 4.35Å; L39-L82 PolarHBondContact N-O 2.88Å; L39-L82 PolarHBondContact O-N 3.15Å; Y41-L82 HydrophobicContact CD1-CB 4.01Å; Y41-L82 HydrophobicContact CE1-CB 4.49Å; L52-L82 HydrophobicContact CD1-CD2 4.17Å; L52-L82 HydrophobicContact CD2-CD2 3.62Å; L52-L82 HydrophobicContact CG-CD2 3.91Å; V56-L82 HydrophobicContact CG2-CD2 4.37Å; R73-L82 HydrophobicContact CB-CD1 4.23Å; I75-L82 HydrophobicContact CG1-CD1 3.81Å; L82-I84 HydrophobicContact CD2-CD1 4.32Å; L82-I84 HydrophobicContact CD2-CG1 4.17Å; L82-I84 HydrophobicContact CG-CG1 4.23Å |
| 83 | Y | 91.9 | Very high | 91.7 | Very high | 21 Ų | 21 | 53.3 Ų | 53.3 | 8% | 0.082 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 124.8 | 170.4 | -55.9 | -97.3 | 0 | 0 | 0 | 109.2 | V5 W36 K37 E38 R73 I74 D76 T81 | V5-Y83 HydrophobicContact CG2-CD2 4.31Å; V5-Y83 HydrophobicContact CG2-CE2 3.95Å; W36-Y83 AromaticContact CD2-CD1 3.5Å; W36-Y83 HydrophobicContact CD2-CD1 3.5Å; W36-Y83 VanDerWaalsContact CD2-CD1 3.5Å; W36-Y83 HydrophobicContact CD2-CE1 4.2Å; W36-Y83 HydrophobicContact CD2-CG 4.19Å; W36-Y83 AromaticContact CE2-CD1 3.58Å; W36-Y83 AromaticContact CE2-CE1 3.8Å; W36-Y83 AromaticContact CE3-CD1 3.81Å; W36-Y83 HydrophobicContact CE3-CD1 3.81Å; W36-Y83 HydrophobicContact CE3-CG 4.1Å; W36-Y83 AromaticContact CG-CD1 3.87Å; W36-Y83 HydrophobicContact CG-CD1 3.87Å; W36-Y83 HydrophobicContact CH2-CD1 4.31Å; W36-Y83 HydrophobicContact CH2-CE1 4.29Å; W36-Y83 AromaticContact CZ2-CD1 3.97Å; W36-Y83 HydrophobicContact CZ2-CD1 3.97Å; W36-Y83 AromaticContact CZ2-CE1 3.83Å; W36-Y83 HydrophobicContact CZ2-CE1 3.83Å; W36-Y83 HydrophobicContact CZ3-CD1 4.22Å; W36-Y83 HydrophobicContact CZ3-CG 4.48Å; W36-Y83 AromaticContact NE1-CD1 3.93Å; K37-Y83 WeakPolarHBondContact O-CA 3.49Å; E38-Y83 HydrophobicContact CB-CE1 4.49Å; E38-Y83 HydrophobicContact CG-CD1 3.72Å; E38-Y83 HydrophobicContact CG-CE1 3.54Å; R73-Y83 CarbonylContact C-O 3.57Å; R73-Y83 VanDerWaalsContact CA-O 3.27Å; R73-Y83 WeakPolarHBondContact CA-O 3.34Å; I74-Y83 HydrophobicContact CB-CD2 4.27Å; I74-Y83 HydrophobicContact CG2-CD2 4.46Å; I74-Y83 PolarHBondContact N-O 3.29Å; I74-Y83 PolarHBondContact O-N 2.82Å; D76-Y83 HydrophobicContact CB-CE2 3.92Å; T81-Y83 HydrophobicContact CG2-CD1 4.5Å; T81-Y83 HydrophobicContact CG2-CD2 4.05Å; T81-Y83 HydrophobicContact CG2-CE1 4.07Å; T81-Y83 HydrophobicContact CG2-CE2 3.55Å; T81-Y83 HydrophobicContact CG2-CG 4.49Å |
| 84 | I | 91.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 110.5 | 173.1 | -58.4 | 176.5 | 0 | 0 | 0 | 108 | W36 K37 L39 V56 Y70 L82 M86 L162 | W36-I84 CarbonylContact C-O 3.52Å; W36-I84 VanDerWaalsContact CA-O 3.23Å; W36-I84 WeakPolarHBondContact CA-O 3.44Å; K37-I84 PolarHBondContact N-O 3.44Å; K37-I84 PolarHBondContact O-N 2.84Å; L39-I84 HydrophobicContact CD1-CD1 3.66Å; L39-I84 HydrophobicContact CD1-CG1 3.95Å; V56-I84 HydrophobicContact CG2-CD1 3.86Å; V56-I84 HydrophobicContact CG2-CG1 4.4Å; Y70-I84 HydrophobicContact CD2-CG2 3.99Å; Y70-I84 HydrophobicContact CE2-CG2 3.98Å; L82-I84 HydrophobicContact CD2-CD1 4.32Å; L82-I84 HydrophobicContact CD2-CG1 4.17Å; L82-I84 HydrophobicContact CG-CG1 4.23Å; I84-M86 HydrophobicContact CG2-CG 3.99Å; I84-M86 HydrophobicContact CG2-SD 4.29Å; I84-L162 HydrophobicContact CD1-CD2 4.2Å |
| 85 | V | 93.7 | Very high | 92 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 125.6 | -177.8 | -172.7 | 0 | 0 | 0 | 0 | 110.1 | Y8 I25 L34 V35 W36 Y71 D72 I74 | Y8-V85 HydrophobicContact CE1-CG1 4.19Å; I25-V85 HydrophobicContact CD1-CG1 4.08Å; I25-V85 HydrophobicContact CD1-CG2 4.45Å; L34-V85 HydrophobicContact CB-CG1 4.1Å; L34-V85 HydrophobicContact CD1-CG1 3.75Å; L34-V85 HydrophobicContact CG-CG1 4.44Å; V35-V85 CarbonylContact O-C 3.59Å; V35-V85 WeakPolarHBondContact O-CA 3.48Å; W36-V85 HydrophobicContact CB-CG2 4.32Å; Y71-V85 PolarHBondContact N-O 3.01Å; D72-V85 HydrophobicContact CB-CB 3.92Å; D72-V85 HydrophobicContact CB-CG2 4.06Å; D72-V85 PolarHBondContact N-O 3.49Å; D72-V85 PolarHBondContact O-N 3.19Å; I74-V85 HydrophobicContact CD1-CG2 4Å; I74-V85 HydrophobicContact CG1-CG2 4.37Å |
| 86 | M | 93.4 | Very high | 92.1 | Very high | 36 Ų | 36 | 49.2 Ų | 49.2 | 18% | 0.177 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 165.2 | -173.2 | -57.4 | -177.3 | -67.3 | 0 | 0 | 111.9 | V35 K37 V68 R69 I84 Y88 | V35-M86 HydrophobicContact CG2-CB 3.88Å; V35-M86 HydrophobicContact CG2-CE 4.27Å; V35-M86 PolarHBondContact N-O 2.85Å; V35-M86 PolarHBondContact O-N 3.46Å; K37-M86 HydrophobicContact CB-CE 4.01Å; K37-M86 HydrophobicContact CD-CE 4.5Å; V68-M86 HydrophobicContact CG1-CB 4.09Å; R69-M86 CarbonylContact O-C 3.56Å; R69-M86 WeakPolarHBondContact O-CA 3.46Å; I84-M86 HydrophobicContact CG2-CG 3.99Å; I84-M86 HydrophobicContact CG2-SD 4.29Å; M86-Y88 PolarHBondContact O-N 2.81Å |
| 87 | E | 93.4 | Very high | 92.4 | Very high | 43 Ų | 43 | 48.5 Ų | 48.5 | 20% | 0.201 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 130.7 | 172.6 | -172.8 | 173.9 | -161.4 | 0 | 0 | 111.9 | V68 R69 Y71 K156 | V68-E87 HydrophobicContact CG1-CB 4.08Å; R69-E87 HydrophobicContact CB-CB 4.03Å; R69-E87 PolarHBondContact N-OE2 3.36Å; R69-E87 VanDerWaalsContact N-OE2 3.07Å; R69-E87 PolarHBondContact O-N 2.9Å; Y71-E87 HydrophobicContact CE2-CB 3.99Å; E87-K156 VanDerWaalsContact CD-CE 3.44Å; E87-K156 WeakPolarHBondContact OE1-CE 3.25Å; E87-K156 IonicContact OE1-NZ 2.75Å; E87-K156 PolarHBondContact OE1-NZ 2.71Å; E87-K156 WeakPolarHBondContact OE2-CE 3.43Å; E87-K156 IonicContact OE2-NZ 3.49Å; E87-K156 PolarHBondContact OE2-NZ 3.41Å |
| 88 | Y | 93.8 | Very high | 92.7 | Very high | 49 Ų | 49 | 38.7 Ų | 38.7 | 19% | 0.192 | 23% | 0.231 | C | C | . | . | trans | -80.5 | 128.2 | 167.9 | 179 | -123.3 | 0 | 0 | 0 | 110.5 | I14 K24 I33 V35 M86 E90 | I14-Y88 HydrophobicContact CD1-CD2 4.27Å; I14-Y88 HydrophobicContact CD1-CE2 4.05Å; K24-Y88 HydrophobicContact CD-CE1 4.19Å; K24-Y88 HydrophobicContact CD-CE2 4.21Å; K24-Y88 HydrophobicContact CG-CE2 4.49Å; K24-Y88 PolarHBondContact NZ-OH 3.05Å; K24-Y88 VanDerWaalsContact NZ-OH 3.17Å; I33-Y88 HydrophobicContact CG2-CD1 3.48Å; I33-Y88 VanDerWaalsContact CG2-CD1 3.48Å; I33-Y88 HydrophobicContact CG2-CE1 4.12Å; I33-Y88 HydrophobicContact CG2-CG 3.98Å; V35-Y88 HydrophobicContact CG1-CD2 3.47Å; V35-Y88 VanDerWaalsContact CG1-CD2 3.47Å; V35-Y88 HydrophobicContact CG1-CE2 4.41Å; V35-Y88 HydrophobicContact CG1-CG 4.13Å; M86-Y88 PolarHBondContact O-N 2.81Å; Y88-E90 HydrophobicContact CD1-CG 3.76Å; Y88-E90 HydrophobicContact CE1-CB 4.18Å; Y88-E90 HydrophobicContact CE1-CG 3.65Å | ||
| 89 | C | 93.8 | Very high | 93.1 | Very high | 14 Ų | 14 | 36 Ų | 36 | 10% | 0.095 | 22% | 0.218 | C | C | . | . | trans | -106.3 | 103.9 | 177.7 | -62.7 | 0 | 0 | 0 | 0 | 109.6 | G91 G92 F148 L149 K156 | C89-G91 VanDerWaalsContact C-N 3.28Å; C89-G91 PolarHBondContact O-N 2.91Å; C89-G92 PolarHBondContact O-N 3Å; C89-F148 HydrophobicContact CB-CB 3.49Å; C89-F148 VanDerWaalsContact CB-CB 3.49Å; C89-F148 HydrophobicContact CB-CD1 4.48Å; C89-F148 HydrophobicContact CB-CG 4.21Å; C89-L149 CarbonylContact C-O 3.53Å; C89-L149 WeakPolarHBondContact CB-O 3.43Å; C89-K156 VanDerWaalsContact SG-CD 3.58Å | ||
| 90 | E | 91.1 | Very high | 93.4 | Very high | 116 Ų | 116 | 37.2 Ų | 37.2 | 54% | 0.542 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -23.4 | -169.1 | -49.1 | -164.1 | 155.5 | 0 | 0 | 113.9 | Y88 G92 I151 | Y88-E90 HydrophobicContact CD1-CG 3.76Å; Y88-E90 HydrophobicContact CE1-CB 4.18Å; Y88-E90 HydrophobicContact CE1-CG 3.65Å; E90-G92 PolarHBondContact O-N 3.23Å; E90-I151 HydrophobicContact CB-CG2 3.73Å; E90-I151 HydrophobicContact CG-CG2 3.88Å; E90-I151 WeakPolarHBondContact OE2-CG2 3.44Å |
| 91 | G | 90.8 | Very high | 93.7 | Very high | 40 Ų | 40 | 34.7 Ų | 34.7 | 41% | 0.412 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | C89 L149 | C89-G91 VanDerWaalsContact C-N 3.28Å; C89-G91 PolarHBondContact O-N 2.91Å; G91-L149 VanDerWaalsContact CA-O 3.23Å; G91-L149 WeakPolarHBondContact CA-O 3.28Å; G91-L149 PolarHBondContact N-O 3.17Å |
| 92 | G | 92.4 | Very high | 94.1 | Very high | 30 Ų | 30 | 38 Ų | 38 | 31% | 0.309 | 22% | 0.215 | S | C | . | . | trans | 72.8 | -154.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C89 E90 F148 L149 | C89-G92 PolarHBondContact O-N 3Å; E90-G92 PolarHBondContact O-N 3.23Å; G92-F148 CarbonylContact O-C 3.55Å; G92-F148 VanDerWaalsContact O-CA 3.29Å; G92-F148 WeakPolarHBondContact O-CA 3.43Å; G92-L149 PolarHBondContact O-N 3.1Å | ||
| 93 | D | 93.5 | Very high | 94.5 | Very high | 33 Ų | 33 | 46.3 Ų | 46.3 | 18% | 0.176 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -114.2 | 162.9 | -177.6 | 68.5 | 91.7 | 0 | 0 | 0 | 112.9 | A95 S96 L97 I147 F148 | D93-A95 VanDerWaalsContact C-N 3.31Å; D93-A95 PolarHBondContact O-N 3.47Å; D93-A95 VanDerWaalsContact OD1-CA 3.28Å; D93-A95 WeakPolarHBondContact OD1-CA 3.48Å; D93-A95 WeakPolarHBondContact OD1-CB 3.1Å; D93-A95 PolarHBondContact OD1-N 3.32Å; D93-S96 PolarHBondContact O-N 3.13Å; D93-S96 PolarHBondContact OD1-N 2.91Å; D93-S96 WeakPolarHBondContact OD2-CB 3.48Å; D93-S96 PolarHBondContact OD2-OG 2.99Å; D93-L97 PolarHBondContact O-N 3.36Å; D93-L97 VanDerWaalsContact O-N 3.13Å; D93-I147 CarbonylContact C-O 3.59Å; D93-I147 VanDerWaalsContact CA-O 3.25Å; D93-I147 WeakPolarHBondContact CA-O 3.45Å; D93-F148 HydrophobicContact CB-CD1 4.13Å; D93-F148 HydrophobicContact CB-CE1 4.25Å |
| 94 | L | 95.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -68.3 | -25.5 | -179.9 | -69 | -174.3 | 0 | 0 | 0 | 113.4 | L97 I98 F112 V116 P144 I147 L149 L205 L209 | L94-L97 HydrophobicContact CD2-CD2 3.78Å; L94-L97 WeakPolarHBondContact O-CB 3.28Å; L94-L97 PolarHBondContact O-N 2.9Å; L94-I98 WeakPolarHBondContact O-CD1 3.23Å; L94-I98 VanDerWaalsContact O-CG1 3.28Å; L94-I98 WeakPolarHBondContact O-CG1 3.4Å; L94-I98 PolarHBondContact O-N 3.41Å; L94-F112 HydrophobicContact CD2-CZ 4.36Å; L94-V116 HydrophobicContact CD1-CG1 4.1Å; L94-P144 HydrophobicContact CB-CB 3.88Å; L94-P144 PolarHBondContact N-O 3.27Å; L94-P144 VanDerWaalsContact N-O 3.17Å; L94-I147 HydrophobicContact CB-CB 4.34Å; L94-I147 HydrophobicContact CD1-CB 3.61Å; L94-I147 HydrophobicContact CD1-CG1 4.16Å; L94-I147 HydrophobicContact CD1-CG2 3.43Å; L94-I147 VanDerWaalsContact CD1-CG2 3.43Å; L94-I147 HydrophobicContact CG-CB 3.81Å; L94-I147 HydrophobicContact CG-CG2 3.77Å; L94-I147 PolarHBondContact N-O 3.23Å; L94-L149 HydrophobicContact CD2-CD1 4.02Å; L94-L149 HydrophobicContact CD2-CD2 4.01Å; L94-L149 HydrophobicContact CD2-CG 4.08Å; L94-L205 HydrophobicContact CD1-CD2 4.16Å; L94-L209 HydrophobicContact CD1-CD1 4.22Å; L94-L209 HydrophobicContact CD1-CD2 4.31Å; L94-L209 HydrophobicContact CD2-CD2 4.47Å |
| 95 | A | 94.5 | Very high | 95 | Very high | 32 Ų | 32 | 60.9 Ų | 60.9 | 26% | 0.264 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.7 | -43 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | D93 L97 I98 S99 P144 A145 | D93-A95 VanDerWaalsContact C-N 3.31Å; D93-A95 PolarHBondContact O-N 3.47Å; D93-A95 VanDerWaalsContact OD1-CA 3.28Å; D93-A95 WeakPolarHBondContact OD1-CA 3.48Å; D93-A95 WeakPolarHBondContact OD1-CB 3.1Å; D93-A95 PolarHBondContact OD1-N 3.32Å; A95-L97 VanDerWaalsContact C-N 3.31Å; A95-L97 PolarHBondContact O-N 2.86Å; A95-I98 PolarHBondContact O-N 3.47Å; A95-S99 WeakPolarHBondContact O-CB 3.31Å; A95-S99 PolarHBondContact O-N 2.49Å; A95-S99 PolarHBondContact O-OG 2.81Å; A95-P144 HydrophobicContact CB-CB 3.89Å; A95-P144 PolarHBondContact N-O 3.49Å; A95-A145 HydrophobicContact CB-CB 4.2Å |
| 96 | S | 94.8 | Very high | 95.1 | Very high | 67 Ų | 67 | 66.1 Ų | 66.1 | 47% | 0.469 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 171.7 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | D93 S99 R100 | D93-S96 PolarHBondContact O-N 3.13Å; D93-S96 PolarHBondContact OD1-N 2.91Å; D93-S96 WeakPolarHBondContact OD2-CB 3.48Å; D93-S96 PolarHBondContact OD2-OG 2.99Å; S96-S99 PolarHBondContact O-N 3.4Å; S96-R100 WeakPolarHBondContact O-CB 3.24Å; S96-R100 PolarHBondContact O-N 3.46Å |
| 97 | L | 95.9 | Very high | 95.4 | Very high | 12 Ų | 12 | 69 Ų | 69 | 6% | 0.063 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.1 | -48.3 | 174.7 | 176.8 | 64.9 | 0 | 0 | 0 | 112.2 | D93 L94 A95 S99 R100 C101 L108 F112 L149 | D93-L97 PolarHBondContact O-N 3.36Å; D93-L97 VanDerWaalsContact O-N 3.13Å; L94-L97 HydrophobicContact CD2-CD2 3.78Å; L94-L97 WeakPolarHBondContact O-CB 3.28Å; L94-L97 PolarHBondContact O-N 2.9Å; A95-L97 VanDerWaalsContact C-N 3.31Å; A95-L97 PolarHBondContact O-N 2.86Å; L97-S99 VanDerWaalsContact C-N 3.34Å; L97-S99 PolarHBondContact O-N 2.97Å; L97-R100 PolarHBondContact O-N 2.9Å; L97-C101 PolarHBondContact O-N 3.46Å; L97-C101 PolarHBondContact O-SG 3.25Å; L97-L108 HydrophobicContact CD1-CD2 4.21Å; L97-L108 HydrophobicContact CD2-CD1 4.15Å; L97-L108 HydrophobicContact CD2-CD2 4Å; L97-L108 HydrophobicContact CG-CD2 4.19Å; L97-F112 HydrophobicContact CD2-CE1 3.57Å; L97-F112 HydrophobicContact CD2-CZ 3.67Å; L97-L149 HydrophobicContact CD2-CD1 4.21Å |
| 98 | I | 97 | Very high | 95.6 | Very high | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 178.5 | -70.1 | 158.8 | 0 | 0 | 0 | 109.9 | L94 A95 R100 C101 I102 P144 E208 L209 L212 | L94-I98 WeakPolarHBondContact O-CD1 3.23Å; L94-I98 VanDerWaalsContact O-CG1 3.28Å; L94-I98 WeakPolarHBondContact O-CG1 3.4Å; L94-I98 PolarHBondContact O-N 3.41Å; A95-I98 PolarHBondContact O-N 3.47Å; I98-R100 VanDerWaalsContact C-N 3.31Å; I98-R100 PolarHBondContact O-N 3.38Å; I98-C101 WeakPolarHBondContact O-CB 3.45Å; I98-C101 PolarHBondContact O-N 3.48Å; I98-C101 VanDerWaalsContact O-N 3.09Å; I98-I102 HydrophobicContact CG2-CD1 3.84Å; I98-I102 HydrophobicContact CG2-CG1 4.4Å; I98-I102 WeakPolarHBondContact O-CG1 3.41Å; I98-I102 PolarHBondContact O-N 3.13Å; I98-P144 HydrophobicContact CD1-CB 3.86Å; I98-P144 HydrophobicContact CD1-CG 3.83Å; I98-E208 HydrophobicContact CD1-CG 3.93Å; I98-L209 HydrophobicContact CD1-CD2 3.9Å; I98-L209 HydrophobicContact CG1-CD2 3.85Å; I98-L212 HydrophobicContact CG2-CD2 4.27Å |
| 99 | S | 96.9 | Very high | 95.7 | Very high | 73 Ų | 73 | 71.3 Ų | 71.3 | 51% | 0.51 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -57.9 | -43.1 | 178.9 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | A95 S96 L97 I102 K103 | A95-S99 WeakPolarHBondContact O-CB 3.31Å; A95-S99 PolarHBondContact O-N 2.49Å; A95-S99 PolarHBondContact O-OG 2.81Å; S96-S99 PolarHBondContact O-N 3.4Å; L97-S99 VanDerWaalsContact C-N 3.34Å; L97-S99 PolarHBondContact O-N 2.97Å; S99-I102 PolarHBondContact O-N 2.89Å; S99-K103 PolarHBondContact O-N 3.24Å; S99-K103 VanDerWaalsContact O-N 3.09Å |
| 100 | R | 96.9 | Very high | 95.9 | Very high | 123 Ų | 123 | 72.5 Ų | 72.5 | 46% | 0.464 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.4 | -45.3 | 174.6 | 176.4 | 174.5 | 56.2 | 167.4 | -4 | 111.9 | S96 L97 I98 I102 K103 E104 | S96-R100 WeakPolarHBondContact O-CB 3.24Å; S96-R100 PolarHBondContact O-N 3.46Å; L97-R100 PolarHBondContact O-N 2.9Å; I98-R100 VanDerWaalsContact C-N 3.31Å; I98-R100 PolarHBondContact O-N 3.38Å; R100-I102 VanDerWaalsContact C-N 3.32Å; R100-I102 PolarHBondContact O-N 3.43Å; R100-K103 PolarHBondContact O-N 2.99Å; R100-E104 WeakPolarHBondContact CD-OE1 3.43Å; R100-E104 HydrophobicContact CG-CG 4.35Å; R100-E104 WeakPolarHBondContact CG-OE1 3.38Å; R100-E104 WeakPolarHBondContact O-CB 3.28Å; R100-E104 WeakPolarHBondContact O-CG 3.22Å; R100-E104 PolarHBondContact O-N 3.42Å |
| 101 | C | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.9 | -39.8 | 178.1 | -69.1 | 0 | 0 | 0 | 0 | 112.2 | L97 I98 E104 R105 R106 L212 | L97-C101 PolarHBondContact O-N 3.46Å; L97-C101 PolarHBondContact O-SG 3.25Å; I98-C101 WeakPolarHBondContact O-CB 3.45Å; I98-C101 PolarHBondContact O-N 3.48Å; I98-C101 VanDerWaalsContact O-N 3.09Å; C101-E104 CarbonylContact O-C 3.57Å; C101-E104 PolarHBondContact O-N 3.13Å; C101-R105 PolarHBondContact O-N 3.46Å; C101-R106 VanDerWaalsContact CB-O 3.24Å; C101-R106 WeakPolarHBondContact CB-O 3.39Å; C101-R106 PolarHBondContact O-N 3.11Å; C101-L212 HydrophobicContact CB-CD1 4.05Å; C101-L212 HydrophobicContact CB-CD2 3.78Å |
| 102 | I | 97.6 | Very high | 96.2 | Very high | 89 Ų | 89 | 71.3 Ų | 71.3 | 46% | 0.456 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.2 | -48.7 | 174 | -67.2 | 166.6 | 0 | 0 | 0 | 110.5 | I98 S99 R100 E104 R105 L212 | I98-I102 HydrophobicContact CG2-CD1 3.84Å; I98-I102 HydrophobicContact CG2-CG1 4.4Å; I98-I102 WeakPolarHBondContact O-CG1 3.41Å; I98-I102 PolarHBondContact O-N 3.13Å; S99-I102 PolarHBondContact O-N 2.89Å; R100-I102 VanDerWaalsContact C-N 3.32Å; R100-I102 PolarHBondContact O-N 3.43Å; I102-E104 VanDerWaalsContact C-N 3.31Å; I102-E104 PolarHBondContact O-N 3.47Å; I102-R105 PolarHBondContact O-N 3.09Å; I102-L212 HydrophobicContact CD1-CB 4.32Å; I102-L212 WeakPolarHBondContact CD1-O 3.41Å; I102-L212 HydrophobicContact CG1-CB 3.75Å; I102-L212 HydrophobicContact CG1-CD1 4.16Å; I102-L212 HydrophobicContact CG1-CG 4.44Å |
| 103 | K | 97.7 | Very high | 96.4 | Very high | 187 Ų | 187 | 69.9 Ų | 69.9 | 81% | 0.813 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.3 | -40.4 | 179.2 | -175.1 | 179.4 | 177.9 | -178.7 | 0 | 112.1 | S99 R100 R105 | S99-K103 PolarHBondContact O-N 3.24Å; S99-K103 VanDerWaalsContact O-N 3.09Å; R100-K103 PolarHBondContact O-N 2.99Å; K103-R105 PolarHBondContact O-N 3.35Å |
| 104 | E | 97.6 | Very high | 96.5 | Very high | 99 Ų | 99 | 68.6 Ų | 68.6 | 46% | 0.463 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -6.3 | 177.1 | -69.9 | 172.7 | -169.5 | 0 | 0 | 113.3 | R100 C101 I102 R106 | R100-E104 WeakPolarHBondContact CD-OE1 3.43Å; R100-E104 HydrophobicContact CG-CG 4.35Å; R100-E104 WeakPolarHBondContact CG-OE1 3.38Å; R100-E104 WeakPolarHBondContact O-CB 3.28Å; R100-E104 WeakPolarHBondContact O-CG 3.22Å; R100-E104 PolarHBondContact O-N 3.42Å; C101-E104 CarbonylContact O-C 3.57Å; C101-E104 PolarHBondContact O-N 3.13Å; I102-E104 VanDerWaalsContact C-N 3.31Å; I102-E104 PolarHBondContact O-N 3.47Å; E104-R106 HydrophobicContact CB-CB 4.16Å; E104-R106 PolarHBondContact O-N 3.06Å; E104-R106 IonicContact OE2-CZ 3.68Å; E104-R106 IonicContact OE2-NE 2.73Å; E104-R106 PolarHBondContact OE2-NE 3.13Å; E104-R106 IonicContact OE2-NH2 3.66Å; E104-R106 PolarHBondContact OE2-NH2 2.78Å |
| 105 | R | 96.7 | Very high | 96.4 | Very high | 231 Ų | 231 | 72.5 Ų | 72.5 | 87% | 0.872 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 38.1 | -173.3 | -57 | -176.7 | 178.9 | -164.3 | -0.6 | 112.8 | C101 I102 K103 | C101-R105 PolarHBondContact O-N 3.46Å; I102-R105 PolarHBondContact O-N 3.09Å; K103-R105 PolarHBondContact O-N 3.35Å |
| 106 | R | 97.3 | Very high | 96.5 | Very high | 111 Ų | 111 | 71 Ų | 71 | 42% | 0.419 | 32% | 0.32 | S | S | . | . | trans | -124.4 | 127.9 | -173.8 | -177.1 | 177.5 | 61 | 81.2 | 4.4 | 110 | C101 E104 | C101-R106 VanDerWaalsContact CB-O 3.24Å; C101-R106 WeakPolarHBondContact CB-O 3.39Å; C101-R106 PolarHBondContact O-N 3.11Å; E104-R106 HydrophobicContact CB-CB 4.16Å; E104-R106 PolarHBondContact O-N 3.06Å; E104-R106 IonicContact OE2-CZ 3.68Å; E104-R106 IonicContact OE2-NE 2.73Å; E104-R106 PolarHBondContact OE2-NE 3.13Å; E104-R106 IonicContact OE2-NH2 3.66Å; E104-R106 PolarHBondContact OE2-NH2 2.78Å | ||
| 107 | Y | 97.9 | Very high | 96.6 | Very high | 97 Ų | 97 | 67.9 Ų | 67.9 | 38% | 0.38 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -81.6 | 151.1 | 173.7 | -71 | -74.9 | 0 | 0 | 0 | 112.1 | C210 L212 P237 R239 | Y107-C210 WeakPolarHBondContact CD1-O 3.3Å; Y107-C210 WeakPolarHBondContact CE1-O 3.48Å; Y107-L212 HydrophobicContact CD1-CD1 3.88Å; Y107-L212 HydrophobicContact CD1-CG 3.89Å; Y107-L212 HydrophobicContact CE1-CD1 4.1Å; Y107-L212 HydrophobicContact CE1-CG 4.07Å; Y107-P237 HydrophobicContact CD1-CG 4.39Å; Y107-P237 HydrophobicContact CE1-CG 3.77Å; Y107-R239 VanDerWaalsContact CB-CZ 3.44Å |
| 108 | L | 97.6 | Very high | 96.6 | Very high | 8 Ų | 8 | 67.3 Ų | 67.3 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 144.4 | 176.7 | -70.9 | 169.9 | 0 | 0 | 0 | 111.6 | L97 F112 I113 L209 R239 Y240 | L97-L108 HydrophobicContact CD1-CD2 4.21Å; L97-L108 HydrophobicContact CD2-CD1 4.15Å; L97-L108 HydrophobicContact CD2-CD2 4Å; L97-L108 HydrophobicContact CG-CD2 4.19Å; L108-F112 HydrophobicContact CB-CD1 4.42Å; L108-F112 HydrophobicContact CD1-CD1 4.2Å; L108-F112 HydrophobicContact CD1-CE1 4.13Å; L108-F112 HydrophobicContact CD2-CD1 4.07Å; L108-F112 HydrophobicContact CD2-CE1 4.23Å; L108-F112 HydrophobicContact CG-CD1 4.48Å; L108-I113 HydrophobicContact CB-CD1 4.2Å; L108-I113 HydrophobicContact CB-CG1 4.19Å; L108-L209 HydrophobicContact CD1-CB 4.1Å; L108-L209 HydrophobicContact CD1-CD2 3.67Å; L108-L209 HydrophobicContact CD1-CG 4.46Å; L108-R239 PolarHBondContact O-NH1 3.33Å; L108-Y240 WeakPolarHBondContact O-CE1 3.35Å; L108-Y240 PolarHBondContact O-OH 3.36Å |
| 109 | E | 97.3 | Very high | 96.5 | Very high | 131 Ų | 131 | 67.2 Ų | 67.2 | 61% | 0.612 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 141.7 | 175.9 | -68.3 | 175.2 | -170.1 | 0 | 0 | 111.5 | Q111 F112 I113 | E109-Q111 VanDerWaalsContact C-N 3.26Å; E109-Q111 PolarHBondContact O-N 3.01Å; E109-F112 WeakPolarHBondContact O-CB 3.13Å; E109-F112 PolarHBondContact O-N 2.64Å; E109-I113 PolarHBondContact O-N 2.9Å |
| 110 | E | 96.9 | Very high | 96.4 | Very high | 39 Ų | 39 | 63.8 Ų | 63.8 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.5 | -42.6 | -179.7 | -173.7 | 165.6 | 149.2 | 0 | 0 | 111.6 | F112 I113 L114 Y240 S241 L244 | E110-F112 PolarHBondContact O-N 3.28Å; E110-I113 CarbonylContact O-C 3.57Å; E110-I113 WeakPolarHBondContact O-CA 3.3Å; E110-I113 WeakPolarHBondContact O-CB 3.24Å; E110-I113 PolarHBondContact O-N 3.36Å; E110-L114 HydrophobicContact CG-CD1 4.22Å; E110-L114 HydrophobicContact CG-CG 4.16Å; E110-L114 WeakPolarHBondContact O-CG 3.29Å; E110-L114 PolarHBondContact O-N 3.26Å; E110-Y240 HydrophobicContact CB-CD1 4.08Å; E110-Y240 HydrophobicContact CG-CD1 4.37Å; E110-Y240 VanDerWaalsContact OE2-CA 3.24Å; E110-Y240 WeakPolarHBondContact OE2-CA 3.37Å; E110-S241 VanDerWaalsContact OE1-CB 3.23Å; E110-S241 WeakPolarHBondContact OE1-CB 3.44Å; E110-S241 PolarHBondContact OE1-OG 3.04Å; E110-S241 PolarHBondContact OE2-N 3.5Å; E110-L244 HydrophobicContact CG-CD2 3.92Å |
| 111 | Q | 94.4 | Very high | 96.4 | Very high | 118 Ų | 118 | 58 Ų | 58 | 55% | 0.551 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -59.1 | -32.5 | 177.7 | -66.3 | -58.7 | -26.5 | 0 | 0 | 113.3 | E109 R115 | E109-Q111 VanDerWaalsContact C-N 3.26Å; E109-Q111 PolarHBondContact O-N 3.01Å; Q111-R115 WeakPolarHBondContact O-CG 3.06Å; Q111-R115 PolarHBondContact O-N 3.48Å; Q111-R115 PolarHBondContact O-NE 3.13Å |
| 112 | F | 94.7 | Very high | 96.2 | Very high | 14 Ų | 14 | 58.9 Ų | 58.9 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.4 | -45.5 | 171.8 | 175.9 | -99 | 0 | 0 | 0 | 111.1 | L94 L97 L108 E109 E110 L114 R115 V116 L149 Q153 | L94-F112 HydrophobicContact CD2-CZ 4.36Å; L97-F112 HydrophobicContact CD2-CE1 3.57Å; L97-F112 HydrophobicContact CD2-CZ 3.67Å; L108-F112 HydrophobicContact CB-CD1 4.42Å; L108-F112 HydrophobicContact CD1-CD1 4.2Å; L108-F112 HydrophobicContact CD1-CE1 4.13Å; L108-F112 HydrophobicContact CD2-CD1 4.07Å; L108-F112 HydrophobicContact CD2-CE1 4.23Å; L108-F112 HydrophobicContact CG-CD1 4.48Å; E109-F112 WeakPolarHBondContact O-CB 3.13Å; E109-F112 PolarHBondContact O-N 2.64Å; E110-F112 PolarHBondContact O-N 3.28Å; F112-L114 VanDerWaalsContact C-N 3.33Å; F112-L114 PolarHBondContact O-N 2.97Å; F112-R115 PolarHBondContact O-N 2.82Å; F112-V116 HydrophobicContact CD1-CG2 4.14Å; F112-V116 HydrophobicContact CE1-CG2 3.67Å; F112-V116 HydrophobicContact CE2-CG2 4.2Å; F112-V116 HydrophobicContact CZ-CG2 3.71Å; F112-V116 WeakPolarHBondContact O-CG2 3.44Å; F112-V116 PolarHBondContact O-N 3.36Å; F112-L149 HydrophobicContact CZ-CD2 4.24Å; F112-Q153 HydrophobicContact CE2-CB 4.26Å |
| 113 | I | 96.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 179.6 | -58.4 | 174 | 0 | 0 | 0 | 111.1 | L108 E109 E110 V116 M117 L206 L209 C210 Y240 L244 | L108-I113 HydrophobicContact CB-CD1 4.2Å; L108-I113 HydrophobicContact CB-CG1 4.19Å; E109-I113 PolarHBondContact O-N 2.9Å; E110-I113 CarbonylContact O-C 3.57Å; E110-I113 WeakPolarHBondContact O-CA 3.3Å; E110-I113 WeakPolarHBondContact O-CB 3.24Å; E110-I113 PolarHBondContact O-N 3.36Å; I113-V116 WeakPolarHBondContact O-CB 3.44Å; I113-V116 PolarHBondContact O-N 3.12Å; I113-M117 WeakPolarHBondContact O-CB 3.48Å; I113-M117 PolarHBondContact O-N 3.34Å; I113-L206 HydrophobicContact CG2-CD2 4.26Å; I113-L209 HydrophobicContact CD1-CB 4.42Å; I113-L209 HydrophobicContact CG1-CB 4.27Å; I113-C210 HydrophobicContact CD1-CB 4.44Å; I113-Y240 HydrophobicContact CD1-CD1 4.27Å; I113-Y240 HydrophobicContact CD1-CE1 3.51Å; I113-L244 HydrophobicContact CG2-CD2 4.41Å |
| 114 | L | 95.7 | Very high | 95.7 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.5 | -39 | 176.2 | -62.4 | -176.1 | 0 | 0 | 0 | 112.3 | E110 F112 M117 A118 L244 L270 L271 | E110-L114 HydrophobicContact CG-CD1 4.22Å; E110-L114 HydrophobicContact CG-CG 4.16Å; E110-L114 WeakPolarHBondContact O-CG 3.29Å; E110-L114 PolarHBondContact O-N 3.26Å; F112-L114 VanDerWaalsContact C-N 3.33Å; F112-L114 PolarHBondContact O-N 2.97Å; L114-M117 HydrophobicContact CD2-CE 4.26Å; L114-M117 WeakPolarHBondContact O-CB 3.32Å; L114-M117 PolarHBondContact O-N 2.88Å; L114-A118 WeakPolarHBondContact O-CB 3.49Å; L114-A118 PolarHBondContact O-N 3.33Å; L114-L244 HydrophobicContact CD2-CD1 4.17Å; L114-L270 HydrophobicContact CD1-CD1 3.87Å; L114-L270 HydrophobicContact CD1-CG 4.07Å; L114-L270 HydrophobicContact CD2-CD1 4.08Å; L114-L270 HydrophobicContact CD2-CD2 3.6Å; L114-L270 HydrophobicContact CD2-CG 3.6Å; L114-L270 HydrophobicContact CG-CG 4.48Å; L114-L271 HydrophobicContact CB-CD2 4.1Å; L114-L271 HydrophobicContact CD2-CD2 4.08Å |
| 115 | R | 93.8 | Very high | 95.4 | Very high | 82 Ų | 82 | 44.9 Ų | 44.9 | 31% | 0.309 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.1 | -43.4 | 172.3 | -74.3 | -174.8 | -61.6 | 173.8 | 3.9 | 112 | Q111 F112 M117 A118 Q119 | Q111-R115 WeakPolarHBondContact O-CG 3.06Å; Q111-R115 PolarHBondContact O-N 3.48Å; Q111-R115 PolarHBondContact O-NE 3.13Å; F112-R115 PolarHBondContact O-N 2.82Å; R115-M117 VanDerWaalsContact C-N 3.34Å; R115-A118 PolarHBondContact O-N 2.82Å; R115-Q119 WeakPolarHBondContact O-CB 3.4Å; R115-Q119 WeakPolarHBondContact O-CG 3.45Å; R115-Q119 PolarHBondContact O-N 3Å |
| 116 | V | 95.7 | Very high | 95 | Very high | 2 Ų | 2 | 37.6 Ų | 37.6 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.1 | -47.6 | 173.9 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | L94 F112 I113 Q119 L120 V155 L206 L209 | L94-V116 HydrophobicContact CD1-CG1 4.1Å; F112-V116 HydrophobicContact CD1-CG2 4.14Å; F112-V116 HydrophobicContact CE1-CG2 3.67Å; F112-V116 HydrophobicContact CE2-CG2 4.2Å; F112-V116 HydrophobicContact CZ-CG2 3.71Å; F112-V116 WeakPolarHBondContact O-CG2 3.44Å; F112-V116 PolarHBondContact O-N 3.36Å; I113-V116 WeakPolarHBondContact O-CB 3.44Å; I113-V116 PolarHBondContact O-N 3.12Å; V116-Q119 PolarHBondContact O-N 2.89Å; V116-L120 HydrophobicContact CG1-CD1 3.69Å; V116-L120 HydrophobicContact CG1-CG 4.15Å; V116-L120 WeakPolarHBondContact O-CB 3.47Å; V116-L120 VanDerWaalsContact O-CG 3.31Å; V116-L120 WeakPolarHBondContact O-CG 3.38Å; V116-L120 PolarHBondContact O-N 3.48Å; V116-V155 HydrophobicContact CB-CG1 4.3Å; V116-V155 HydrophobicContact CG1-CG1 4.1Å; V116-V155 HydrophobicContact CG2-CG1 3.75Å; V116-L206 HydrophobicContact CG1-CD2 4.27Å; V116-L209 HydrophobicContact CB-CD1 4.28Å; V116-L209 HydrophobicContact CG1-CD1 3.79Å; V116-L209 HydrophobicContact CG2-CD1 4.42Å |
| 117 | M | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57 | -54.6 | 177.8 | -171.7 | -178.6 | -50.6 | 0 | 0 | 111.2 | I113 L114 R115 Q119 L120 T121 L206 L244 L247 I265 L271 | I113-M117 WeakPolarHBondContact O-CB 3.48Å; I113-M117 PolarHBondContact O-N 3.34Å; L114-M117 HydrophobicContact CD2-CE 4.26Å; L114-M117 WeakPolarHBondContact O-CB 3.32Å; L114-M117 PolarHBondContact O-N 2.88Å; R115-M117 VanDerWaalsContact C-N 3.34Å; M117-Q119 PolarHBondContact O-N 2.81Å; M117-L120 PolarHBondContact O-N 3.07Å; M117-T121 VanDerWaalsContact O-CB 3.28Å; M117-T121 WeakPolarHBondContact O-CB 3.4Å; M117-T121 PolarHBondContact O-N 2.79Å; M117-T121 PolarHBondContact O-OG1 2.9Å; M117-L206 HydrophobicContact CB-CD1 4.19Å; M117-L206 HydrophobicContact CB-CD2 3.83Å; M117-L206 HydrophobicContact CE-CD1 3.87Å; M117-L206 HydrophobicContact CE-CD2 4.39Å; M117-L206 HydrophobicContact CG-CD1 3.75Å; M117-L206 HydrophobicContact CG-CD2 4.34Å; M117-L206 HydrophobicContact SD-CD1 4.31Å; M117-L244 HydrophobicContact CE-CD1 3.29Å; M117-L247 HydrophobicContact CE-CD2 4.22Å; M117-L247 HydrophobicContact SD-CD2 3.51Å; M117-L247 VanDerWaalsContact SD-CD2 3.51Å; M117-I265 HydrophobicContact CG-CG2 4.47Å; M117-I265 HydrophobicContact SD-CG2 4.37Å; M117-L271 HydrophobicContact CB-CD2 4.19Å; M117-L271 HydrophobicContact CG-CD1 3.86Å; M117-L271 HydrophobicContact CG-CD2 4.26Å; M117-L271 HydrophobicContact SD-CD1 3.73Å; M117-L271 HydrophobicContact SD-CD2 3.95Å; M117-L271 HydrophobicContact SD-CG 4.15Å |
| 118 | A | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57.2 | -49.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | L114 R115 T121 L122 L271 V275 | L114-A118 WeakPolarHBondContact O-CB 3.49Å; L114-A118 PolarHBondContact O-N 3.33Å; R115-A118 PolarHBondContact O-N 2.82Å; A118-T121 PolarHBondContact O-N 2.87Å; A118-L122 WeakPolarHBondContact O-CB 3.28Å; A118-L122 VanDerWaalsContact O-CG 3.24Å; A118-L122 WeakPolarHBondContact O-CG 3.24Å; A118-L122 PolarHBondContact O-N 2.81Å; A118-L271 HydrophobicContact CB-CD2 4.42Å; A118-V275 HydrophobicContact CB-CG2 4Å |
| 119 | Q | 95.4 | Very high | 92.7 | Very high | 3 Ų | 3 | 31.3 Ų | 31.3 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -68.8 | -38.2 | -176.8 | -72.6 | -175.7 | 12 | 0 | 0 | 112.9 | N66 R115 V116 M117 A123 N154 V155 E278 | N66-Q119 HydrophobicContact CB-CB 4.33Å; N66-Q119 WeakPolarHBondContact CB-O 3.23Å; N66-Q119 WeakPolarHBondContact ND2-CB 3.26Å; N66-Q119 WeakPolarHBondContact ND2-CG 3.4Å; N66-Q119 PolarHBondContact ND2-OE1 2.97Å; N66-Q119 VanDerWaalsContact ND2-OE1 3.16Å; R115-Q119 WeakPolarHBondContact O-CB 3.4Å; R115-Q119 WeakPolarHBondContact O-CG 3.45Å; R115-Q119 PolarHBondContact O-N 3Å; V116-Q119 PolarHBondContact O-N 2.89Å; M117-Q119 PolarHBondContact O-N 2.81Å; Q119-A123 PolarHBondContact O-N 2.88Å; Q119-N154 PolarHBondContact NE2-OD1 2.87Å; Q119-V155 HydrophobicContact CB-CG2 3.28Å; Q119-V155 HydrophobicContact CG-CG2 4.25Å; Q119-E278 HydrophobicContact CG-CG 3.83Å; Q119-E278 PolarHBondContact NE2-OE1 3.49Å; Q119-E278 PolarHBondContact NE2-OE2 2.75Å |
| 120 | L | 95.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.6 | -40.4 | 174.5 | -70.1 | -176.9 | 0 | 0 | 0 | 112.1 | V116 M117 L122 A123 L124 I147 V155 L157 L202 L205 | V116-L120 HydrophobicContact CG1-CD1 3.69Å; V116-L120 HydrophobicContact CG1-CG 4.15Å; V116-L120 WeakPolarHBondContact O-CB 3.47Å; V116-L120 VanDerWaalsContact O-CG 3.31Å; V116-L120 WeakPolarHBondContact O-CG 3.38Å; V116-L120 PolarHBondContact O-N 3.48Å; M117-L120 PolarHBondContact O-N 3.07Å; L120-L122 VanDerWaalsContact C-N 3.31Å; L120-L122 PolarHBondContact O-N 3.13Å; L120-A123 WeakPolarHBondContact O-CB 3.21Å; L120-A123 PolarHBondContact O-N 2.87Å; L120-L124 WeakPolarHBondContact O-CG 3.34Å; L120-L124 PolarHBondContact O-N 3.46Å; L120-I147 HydrophobicContact CD1-CD1 4.3Å; L120-I147 HydrophobicContact CD1-CG1 4.24Å; L120-I147 HydrophobicContact CD1-CG2 4.33Å; L120-I147 HydrophobicContact CD2-CD1 3.81Å; L120-I147 HydrophobicContact CD2-CG1 4.36Å; L120-I147 HydrophobicContact CD2-CG2 3.88Å; L120-V155 HydrophobicContact CD2-CB 4.37Å; L120-V155 HydrophobicContact CD2-CG2 4.06Å; L120-V155 HydrophobicContact CG-CG2 4.05Å; L120-L157 HydrophobicContact CD2-CB 4.25Å; L120-L202 HydrophobicContact CB-CD1 3.83Å; L120-L202 HydrophobicContact CD1-CD1 3.64Å; L120-L202 HydrophobicContact CG-CD1 4.4Å; L120-L205 HydrophobicContact CD1-CD1 4.5Å; L120-L205 HydrophobicContact CD1-CD2 4Å |
| 121 | T | 95.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.2 | -38.2 | 175.5 | -59 | 0 | 0 | 0 | 0 | 111 | M117 A118 L124 K125 V262 I265 L266 | M117-T121 VanDerWaalsContact O-CB 3.28Å; M117-T121 WeakPolarHBondContact O-CB 3.4Å; M117-T121 PolarHBondContact O-N 2.79Å; M117-T121 PolarHBondContact O-OG1 2.9Å; A118-T121 PolarHBondContact O-N 2.87Å; T121-L124 PolarHBondContact O-N 3.4Å; T121-K125 PolarHBondContact O-N 2.79Å; T121-V262 HydrophobicContact CG2-CB 4.35Å; T121-V262 HydrophobicContact CG2-CG1 3.67Å; T121-V262 WeakPolarHBondContact O-CG1 3.26Å; T121-I265 HydrophobicContact CG2-CB 3.98Å; T121-I265 HydrophobicContact CG2-CG2 3.85Å; T121-L266 HydrophobicContact CG2-CD1 4.18Å; T121-L266 HydrophobicContact CG2-CD2 3.71Å; T121-L266 HydrophobicContact CG2-CG 3.59Å |
| 122 | L | 93.4 | Very high | 87 | Confident | 20 Ų | 20 | 30.1 Ų | 30.1 | 11% | 0.105 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.3 | -41.6 | 171 | -73.4 | 168 | 0 | 0 | 0 | 112.3 | A118 L120 K125 E126 L266 E278 | A118-L122 WeakPolarHBondContact O-CB 3.28Å; A118-L122 VanDerWaalsContact O-CG 3.24Å; A118-L122 WeakPolarHBondContact O-CG 3.24Å; A118-L122 PolarHBondContact O-N 2.81Å; L120-L122 VanDerWaalsContact C-N 3.31Å; L120-L122 PolarHBondContact O-N 3.13Å; L122-K125 WeakPolarHBondContact O-CB 3.26Å; L122-K125 PolarHBondContact O-N 2.81Å; L122-E126 PolarHBondContact O-N 3.45Å; L122-E126 VanDerWaalsContact O-N 3.12Å; L122-L266 HydrophobicContact CD2-CD1 4.01Å; L122-L266 HydrophobicContact CD2-CD2 4.06Å; L122-L266 HydrophobicContact CG-CD2 3.97Å; L122-E278 HydrophobicContact CD1-CB 3.95Å |
| 123 | A | 92.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | N66 I67 Q119 L120 K125 E126 C127 L157 | N66-A123 HydrophobicContact CB-CB 4.07Å; N66-A123 WeakPolarHBondContact O-CB 3.44Å; I67-A123 HydrophobicContact CG1-CB 3.95Å; Q119-A123 PolarHBondContact O-N 2.88Å; L120-A123 WeakPolarHBondContact O-CB 3.21Å; L120-A123 PolarHBondContact O-N 2.87Å; A123-K125 VanDerWaalsContact C-N 3.33Å; A123-E126 WeakPolarHBondContact O-CB 3.49Å; A123-E126 PolarHBondContact O-N 2.92Å; A123-C127 PolarHBondContact O-N 3.4Å; A123-C127 PolarHBondContact O-SG 3Å; A123-L157 HydrophobicContact CB-CB 4.06Å; A123-L157 HydrophobicContact CB-CD2 3.98Å |
| 124 | L | 92.3 | Very high | 83.1 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.6 | -36.8 | 175 | -70.5 | 178.3 | 0 | 0 | 0 | 112 | L120 T121 E126 C127 H128 H139 L142 L157 D198 L202 V262 | L120-L124 WeakPolarHBondContact O-CG 3.34Å; L120-L124 PolarHBondContact O-N 3.46Å; T121-L124 PolarHBondContact O-N 3.4Å; L124-E126 VanDerWaalsContact C-N 3.3Å; L124-E126 PolarHBondContact O-N 2.9Å; L124-C127 WeakPolarHBondContact O-CB 3.48Å; L124-C127 PolarHBondContact O-N 2.73Å; L124-H128 WeakPolarHBondContact O-CB 3.31Å; L124-H128 VanDerWaalsContact O-CG 3.24Å; L124-H128 PolarHBondContact O-N 3.41Å; L124-H139 HydrophobicContact CD2-CB 4.35Å; L124-L142 HydrophobicContact CD1-CD1 4.09Å; L124-L142 HydrophobicContact CD2-CD1 4.12Å; L124-L157 HydrophobicContact CD2-CD2 4.03Å; L124-D198 HydrophobicContact CD1-CB 4.4Å; L124-D198 HydrophobicContact CD2-CB 4.29Å; L124-L202 HydrophobicContact CD1-CB 4.43Å; L124-L202 HydrophobicContact CD1-CD2 3.9Å; L124-V262 HydrophobicContact CB-CG2 4.28Å |
| 125 | K | 91.5 | Very high | 81.6 | Confident | 81 Ų | 81 | 43 Ų | 43 | 35% | 0.352 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -55.3 | -47.2 | 172.9 | -164.4 | -179.9 | 176.2 | 178.9 | 0 | 111.6 | T121 L122 A123 C127 H128 S129 V262 L266 | T121-K125 PolarHBondContact O-N 2.79Å; L122-K125 WeakPolarHBondContact O-CB 3.26Å; L122-K125 PolarHBondContact O-N 2.81Å; A123-K125 VanDerWaalsContact C-N 3.33Å; K125-C127 PolarHBondContact O-N 3.28Å; K125-H128 PolarHBondContact O-N 2.89Å; K125-S129 WeakPolarHBondContact O-CA 3.41Å; K125-S129 WeakPolarHBondContact O-CB 3.09Å; K125-S129 PolarHBondContact O-N 2.91Å; K125-V262 HydrophobicContact CB-CG1 3.48Å; K125-V262 VanDerWaalsContact CB-CG1 3.48Å; K125-V262 HydrophobicContact CD-CG1 4.48Å; K125-V262 HydrophobicContact CG-CG1 3.89Å; K125-L266 HydrophobicContact CD-CD1 3.87Å |
| 126 | E | 88.2 | Confident | 80.6 | Confident | 77 Ų | 77 | 42.7 Ų | 42.7 | 36% | 0.36 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.8 | -35.7 | 177.1 | -177 | 70.2 | -170.7 | 0 | 0 | 111.9 | H64 I67 L122 A123 L124 | H64-E126 HydrophobicContact CB-CB 4.38Å; H64-E126 HydrophobicContact CB-CG 4.07Å; I67-E126 HydrophobicContact CD1-CB 4.3Å; I67-E126 HydrophobicContact CD1-CG 4.22Å; L122-E126 PolarHBondContact O-N 3.45Å; L122-E126 VanDerWaalsContact O-N 3.12Å; A123-E126 WeakPolarHBondContact O-CB 3.49Å; A123-E126 PolarHBondContact O-N 2.92Å; L124-E126 VanDerWaalsContact C-N 3.3Å; L124-E126 PolarHBondContact O-N 2.9Å |
| 127 | C | 85.7 | Confident | 79.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -77 | -40.4 | -178.2 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | A123 L124 K125 V137 F160 | A123-C127 PolarHBondContact O-N 3.4Å; A123-C127 PolarHBondContact O-SG 3Å; L124-C127 WeakPolarHBondContact O-CB 3.48Å; L124-C127 PolarHBondContact O-N 2.73Å; K125-C127 PolarHBondContact O-N 3.28Å; C127-V137 CarbonylContact C-O 3.57Å; C127-V137 HydrophobicContact CB-CB 4.18Å; C127-V137 WeakPolarHBondContact CB-O 3.25Å; C127-V137 WeakPolarHBondContact O-CA 3.4Å; C127-V137 WeakPolarHBondContact O-CB 3.4Å; C127-V137 PolarHBondContact O-N 3.05Å; C127-F160 HydrophobicContact CB-CE1 4.34Å; C127-F160 WeakPolarHBondContact SG-CE1 3.5Å; C127-F160 VanDerWaalsContact SG-CZ 3.51Å |
| 128 | H | 85.2 | Confident | 78.8 | Confident | 26 Ų | 26 | 44.4 Ų | 44.4 | 12% | 0.12 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -80.5 | -33.3 | -177.8 | -61.2 | 169.9 | 0 | 0 | 0 | 112.3 | L124 K125 R130 T136 V137 D198 | L124-H128 WeakPolarHBondContact O-CB 3.31Å; L124-H128 VanDerWaalsContact O-CG 3.24Å; L124-H128 PolarHBondContact O-N 3.41Å; K125-H128 PolarHBondContact O-N 2.89Å; H128-R130 PolarHBondContact O-N 3.03Å; H128-T136 HydrophobicContact CB-CG2 4.23Å; H128-V137 PolarHBondContact CD2-O 2.99Å; H128-D198 IonicContact CD2-OD2 3.55Å; H128-D198 IonicContact CE1-OD2 2.64Å; H128-D198 IonicContact NE2-OD2 3.7Å; H128-D198 PolarHBondContact NE2-OD2 2.88Å |
| 129 | S | 75.1 | Confident | 78 | Confident | 59 Ų | 59 | 44.4 Ų | 44.4 | 41% | 0.413 | 26% | 0.264 | S | S | . | . | trans | -96.4 | 81.9 | -177 | -162.3 | 0 | 0 | 0 | 0 | 110.7 | K125 | K125-S129 WeakPolarHBondContact O-CA 3.41Å; K125-S129 WeakPolarHBondContact O-CB 3.09Å; K125-S129 PolarHBondContact O-N 2.91Å | ||
| 130 | R | 64.2 | Low | 77.2 | Confident | 55 Ų | 55 | 48.6 Ų | 48.6 | 21% | 0.208 | 28% | 0.279 | C | S | . | . | trans | -97.4 | 102.2 | 167.6 | -70.3 | -163 | 68.9 | 151.2 | 17.5 | 109.8 | E61 H128 D132 | E61-R130 IonicContact OE2-CZ 3.94Å; E61-R130 IonicContact OE2-NH1 2.68Å; E61-R130 PolarHBondContact OE2-NH1 3.41Å; E61-R130 IonicContact OE2-NH2 3.78Å; E61-R130 PolarHBondContact OE2-NH2 2.9Å; H128-R130 PolarHBondContact O-N 3.03Å; R130-D132 IonicContact NE-OD1 3.75Å; R130-D132 PolarHBondContact NE-OD1 3.02Å; R130-D132 IonicContact NH2-OD2 3.81Å; R130-D132 PolarHBondContact NH2-OD2 3.26Å; R130-D132 PolarHBondContact O-N 3.21Å | ||
| 131 | S | 48.9 | Very low | 76.4 | Confident | 121 Ų | 121 | 50.3 Ų | 50.3 | 85% | 0.846 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -5 | -176.1 | -30.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 132 | D | 55.1 | Low | 76.1 | Confident | 86 Ų | 86 | 50.4 Ų | 50.4 | 46% | 0.46 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 17.9 | -172.3 | 65.2 | -15.9 | 0 | 0 | 0 | 114 | R130 R134 | R130-D132 IonicContact NE-OD1 3.75Å; R130-D132 PolarHBondContact NE-OD1 3.02Å; R130-D132 IonicContact NH2-OD2 3.81Å; R130-D132 PolarHBondContact NH2-OD2 3.26Å; R130-D132 PolarHBondContact O-N 3.21Å; D132-R134 PolarHBondContact O-N 3.23Å; D132-R134 WeakPolarHBondContact OD1-CB 3.47Å; D132-R134 WeakPolarHBondContact OD2-CD 3.46Å; D132-R134 IonicContact OD2-CZ 2.87Å; D132-R134 IonicContact OD2-NE 2.98Å; D132-R134 PolarHBondContact OD2-NE 3.16Å; D132-R134 VanDerWaalsContact OD2-NE 3.17Å |
| 133 | G | 50.4 | Low | 75.9 | Confident | 80 Ų | 80 | 52 Ų | 52 | 83% | 0.825 | 30% | 0.296 | S | S | * | . | S | Bend | trans | 72 | 7.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 134 | R | 59 | Low | 75.9 | Confident | 127 Ų | 127 | 52.2 Ų | 52.2 | 48% | 0.479 | 30% | 0.297 | S | S | . | . | trans | -84.3 | 152.5 | 175 | -64.3 | -179.3 | -172.5 | -171.2 | 8.1 | 111 | E61 D132 T136 | E61-R134 IonicContact OE1-CZ 2.79Å; E61-R134 IonicContact OE1-NH1 3.61Å; E61-R134 PolarHBondContact OE1-NH1 3.42Å; E61-R134 IonicContact OE1-NH2 2.72Å; E61-R134 IonicContact OE2-CZ 3.48Å; E61-R134 IonicContact OE2-NH1 3.61Å; E61-R134 PolarHBondContact OE2-NH1 3.12Å; D132-R134 PolarHBondContact O-N 3.23Å; D132-R134 WeakPolarHBondContact OD1-CB 3.47Å; D132-R134 WeakPolarHBondContact OD2-CD 3.46Å; D132-R134 IonicContact OD2-CZ 2.87Å; D132-R134 IonicContact OD2-NE 2.98Å; D132-R134 PolarHBondContact OD2-NE 3.16Å; D132-R134 VanDerWaalsContact OD2-NE 3.17Å; R134-T136 PolarHBondContact O-N 2.92Å | ||
| 135 | A | 63.7 | Low | 75.8 | Confident | 83 Ų | 83 | 54.2 Ų | 54.2 | 69% | 0.686 | 31% | 0.313 | S | S | * | . | trans | -55.5 | 135.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V137 | A135-V137 PolarHBondContact O-N 2.92Š| ||
| 136 | T | 72.8 | Confident | 75.8 | Confident | 75 Ų | 75 | 50.9 Ų | 50.9 | 46% | 0.46 | 30% | 0.299 | S | S | . | . | trans | -44.8 | 129.4 | 170.2 | -52.3 | 0 | 0 | 0 | 0 | 111.1 | H128 R134 L138 | H128-T136 HydrophobicContact CB-CG2 4.23Å; R134-T136 PolarHBondContact O-N 2.92Å; T136-L138 HydrophobicContact CG2-CD2 4.09Å | ||
| 137 | V | 76.3 | Confident | 76.1 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 6% | 0.055 | 28% | 0.282 | C | S | . | . | trans | -90.1 | 114.6 | 175.7 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | L58 C127 H128 A135 | L58-V137 HydrophobicContact CD1-CG1 4.2Å; L58-V137 HydrophobicContact CD1-CG2 3.77Å; L58-V137 HydrophobicContact CD2-CG1 3.83Å; L58-V137 HydrophobicContact CD2-CG2 4.19Å; L58-V137 HydrophobicContact CG-CG2 4.14Å; C127-V137 CarbonylContact C-O 3.57Å; C127-V137 HydrophobicContact CB-CB 4.18Å; C127-V137 WeakPolarHBondContact CB-O 3.25Å; C127-V137 WeakPolarHBondContact O-CA 3.4Å; C127-V137 WeakPolarHBondContact O-CB 3.4Å; C127-V137 PolarHBondContact O-N 3.05Å; H128-V137 PolarHBondContact CD2-O 2.99Å; A135-V137 PolarHBondContact O-N 2.92Å | ||
| 138 | L | 78.1 | Confident | 76.6 | Confident | 29 Ų | 29 | 50.1 Ų | 50.1 | 15% | 0.152 | 30% | 0.295 | C | S | . | . | trans | -95.8 | 134.9 | 176.4 | -59.8 | 171 | 0 | 0 | 0 | 109.3 | T136 R140 Y193 E195 | T136-L138 HydrophobicContact CG2-CD2 4.09Å; L138-R140 HydrophobicContact CB-CG 3.98Å; L138-Y193 HydrophobicContact CB-CD1 3.98Å; L138-Y193 HydrophobicContact CB-CE1 3.84Å; L138-Y193 HydrophobicContact CD1-CD1 3.56Å; L138-Y193 HydrophobicContact CD1-CE1 4.24Å; L138-Y193 HydrophobicContact CD2-CD1 4.31Å; L138-Y193 HydrophobicContact CD2-CE1 4.27Å; L138-Y193 HydrophobicContact CG-CD1 4.13Å; L138-Y193 HydrophobicContact CG-CE1 4.32Å; L138-E195 HydrophobicContact CD2-CB 4.23Å | ||
| 139 | H | 79.5 | Confident | 77 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | trans | -75.3 | -44.5 | -176.5 | -174.4 | -79.1 | 0 | 0 | 0 | 112.2 | L124 D141 L142 L157 G158 F160 D198 | L124-H139 HydrophobicContact CD2-CB 4.35Å; H139-D141 VanDerWaalsContact CE1-C 3.43Å; H139-D141 PolarHBondContact CE1-O 3.07Å; H139-D141 VanDerWaalsContact CE1-O 3.24Å; H139-D141 VanDerWaalsContact ND1-C 3.28Å; H139-D141 PolarHBondContact ND1-N 3.29Å; H139-D141 PolarHBondContact O-N 3.02Å; H139-L142 HydrophobicContact CB-CG 4.21Å; H139-L142 PolarHBondContact ND1-N 3.36Å; H139-L157 VanDerWaalsContact NE2-CD1 3.34Å; H139-L157 WeakPolarHBondContact NE2-CD1 3.31Å; H139-G158 PolarHBondContact NE2-O 2.83Å; H139-F160 AromaticContact CD2-CD1 3.54Å; H139-F160 AromaticContact CD2-CE1 3.49Å; H139-F160 VanDerWaalsContact CD2-CE1 3.49Å; H139-F160 WeakPolarHBondContact CD2-CE1 3.34Å; H139-D198 WeakPolarHBondContact CB-OD1 3.14Å; H139-D198 PolarHBondContact N-OD1 3.44Å; H139-D198 PolarHBondContact N-OD2 2.9Å; H139-D198 VanDerWaalsContact N-OD2 3.15Å | ||
| 140 | R | 78.6 | Confident | 77.7 | Confident | 90 Ų | 90 | 47.7 Ų | 47.7 | 34% | 0.34 | 28% | 0.278 | S | S | . | . | trans | 67.7 | -14.2 | 173.5 | -52.9 | 177.7 | -179.7 | -158.2 | -1.1 | 117.5 | L138 Y193 D198 | L138-R140 HydrophobicContact CB-CG 3.98Å; R140-Y193 HydrophobicContact CB-CE2 4.48Å; R140-Y193 HydrophobicContact CG-CD1 4.13Å; R140-Y193 HydrophobicContact CG-CE1 3.92Å; R140-Y193 HydrophobicContact CG-CE2 4.38Å; R140-Y193 HydrophobicContact CG-CG 4.44Å; R140-D198 PolarHBondContact N-OD1 3.1Å | ||
| 141 | D | 78.8 | Confident | 78.7 | Confident | 38 Ų | 38 | 50.7 Ų | 50.7 | 20% | 0.203 | 30% | 0.297 | C | S | . | . | trans | -135.1 | 46.6 | 177.5 | -166.2 | 23.1 | 0 | 0 | 0 | 112.7 | H139 K143 N146 A163 | H139-D141 VanDerWaalsContact CE1-C 3.43Å; H139-D141 PolarHBondContact CE1-O 3.07Å; H139-D141 VanDerWaalsContact CE1-O 3.24Å; H139-D141 VanDerWaalsContact ND1-C 3.28Å; H139-D141 PolarHBondContact ND1-N 3.29Å; H139-D141 PolarHBondContact O-N 3.02Å; D141-K143 PolarHBondContact O-N 3.38Å; D141-K143 IonicContact OD1-NZ 2.73Å; D141-K143 PolarHBondContact OD1-NZ 2.82Å; D141-K143 IonicContact OD2-NZ 3.74Å; D141-K143 PolarHBondContact OD2-NZ 3.04Å; D141-N146 VanDerWaalsContact CG-ND2 3.29Å; D141-N146 PolarHBondContact O-ND2 3.4Å; D141-N146 PolarHBondContact OD2-ND2 3.34Å; D141-A163 HydrophobicContact CB-CB 4.42Å | ||
| 142 | L | 88.5 | Confident | 80.4 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | trans | -71 | 111.2 | 175.3 | -83.8 | 173.3 | 0 | 0 | 0 | 110.3 | L124 H139 I147 L157 Y182 D198 L202 | L124-L142 HydrophobicContact CD1-CD1 4.09Å; L124-L142 HydrophobicContact CD2-CD1 4.12Å; H139-L142 HydrophobicContact CB-CG 4.21Å; H139-L142 PolarHBondContact ND1-N 3.36Å; L142-I147 HydrophobicContact CD2-CD1 4.11Å; L142-L157 HydrophobicContact CD2-CD1 3.41Å; L142-L157 VanDerWaalsContact CD2-CD1 3.41Å; L142-L157 HydrophobicContact CD2-CD2 4.31Å; L142-Y182 WeakPolarHBondContact O-CB 3.31Å; L142-D198 HydrophobicContact CD1-CB 4.02Å; L142-D198 WeakPolarHBondContact CD1-O 3.42Å; L142-L202 HydrophobicContact CD1-CB 4.31Å | ||
| 143 | K | 89.9 | Confident | 81.8 | Confident | 54 Ų | 54 | 52.9 Ų | 52.9 | 24% | 0.235 | 29% | 0.289 | C | S | . | . | trans | -153.5 | 158.1 | 175.5 | 64 | -176.3 | 177.1 | -127.4 | 0 | 110.5 | D141 A145 N146 Y182 | D141-K143 PolarHBondContact O-N 3.38Å; D141-K143 IonicContact OD1-NZ 2.73Å; D141-K143 PolarHBondContact OD1-NZ 2.82Å; D141-K143 IonicContact OD2-NZ 3.74Å; D141-K143 PolarHBondContact OD2-NZ 3.04Å; K143-A145 HydrophobicContact CD-CB 4.49Å; K143-A145 HydrophobicContact CG-CB 4.37Å; K143-A145 PolarHBondContact O-N 2.98Å; K143-A145 VanDerWaalsContact O-N 3.12Å; K143-N146 WeakPolarHBondContact CE-ND2 3.14Å; K143-N146 HydrophobicContact CG-CB 4.16Å; K143-N146 PolarHBondContact O-N 3.47Å; K143-Y182 HydrophobicContact CB-CD2 3.63Å; K143-Y182 HydrophobicContact CB-CE2 3.62Å; K143-Y182 HydrophobicContact CB-CG 4.23Å | ||
| 144 | P | 93.1 | Very high | 83.6 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -54.4 | -35.2 | -177.5 | -26.8 | 33.9 | 0 | 0 | 0 | 114.4 | L94 A95 I98 N146 I147 Y182 L205 E208 | L94-P144 HydrophobicContact CB-CB 3.88Å; L94-P144 PolarHBondContact N-O 3.27Å; L94-P144 VanDerWaalsContact N-O 3.17Å; A95-P144 HydrophobicContact CB-CB 3.89Å; A95-P144 PolarHBondContact N-O 3.49Å; I98-P144 HydrophobicContact CD1-CB 3.86Å; I98-P144 HydrophobicContact CD1-CG 3.83Å; P144-N146 PolarHBondContact O-N 2.93Å; P144-I147 PolarHBondContact O-N 2.95Å; P144-I147 VanDerWaalsContact O-N 3.16Å; P144-Y182 WeakPolarHBondContact CD-OH 3.5Å; P144-Y182 HydrophobicContact CG-CE1 4.18Å; P144-Y182 WeakPolarHBondContact CG-OH 3.49Å; P144-L205 HydrophobicContact CG-CD1 4.45Å; P144-L205 HydrophobicContact CG-CG 4.29Å; P144-E208 VanDerWaalsContact CG-OE2 3.31Å; P144-E208 WeakPolarHBondContact CG-OE2 3.28Å |
| 145 | A | 89.7 | Confident | 85.3 | Confident | 42 Ų | 42 | 43.8 Ų | 43.8 | 35% | 0.347 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -66.7 | -18 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | A95 K143 | A95-A145 HydrophobicContact CB-CB 4.2Å; K143-A145 HydrophobicContact CD-CB 4.49Å; K143-A145 HydrophobicContact CG-CB 4.37Å; K143-A145 PolarHBondContact O-N 2.98Å; K143-A145 VanDerWaalsContact O-N 3.12Å |
| 146 | N | 91.1 | Very high | 86.7 | Confident | 12 Ų | 12 | 40.5 Ų | 40.5 | 6% | 0.064 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -102.2 | 2.2 | 177.9 | -70.6 | -7.3 | 0 | 0 | 0 | 112.6 | D141 K143 P144 G158 D159 | D141-N146 VanDerWaalsContact CG-ND2 3.29Å; D141-N146 PolarHBondContact O-ND2 3.4Å; D141-N146 PolarHBondContact OD2-ND2 3.34Å; K143-N146 WeakPolarHBondContact CE-ND2 3.14Å; K143-N146 HydrophobicContact CG-CB 4.16Å; K143-N146 PolarHBondContact O-N 3.47Å; P144-N146 PolarHBondContact O-N 2.93Å; N146-G158 PolarHBondContact O-N 3.17Å; N146-D159 HydrophobicContact CB-CB 4.38Å |
| 147 | I | 95.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 115.9 | 174.3 | -50.7 | -49.1 | 0 | 0 | 0 | 108.8 | D93 L94 L120 L142 P144 V155 L157 L205 | D93-I147 CarbonylContact C-O 3.59Å; D93-I147 VanDerWaalsContact CA-O 3.25Å; D93-I147 WeakPolarHBondContact CA-O 3.45Å; L94-I147 HydrophobicContact CB-CB 4.34Å; L94-I147 HydrophobicContact CD1-CB 3.61Å; L94-I147 HydrophobicContact CD1-CG1 4.16Å; L94-I147 HydrophobicContact CD1-CG2 3.43Å; L94-I147 VanDerWaalsContact CD1-CG2 3.43Å; L94-I147 HydrophobicContact CG-CB 3.81Å; L94-I147 HydrophobicContact CG-CG2 3.77Å; L94-I147 PolarHBondContact N-O 3.23Å; L120-I147 HydrophobicContact CD1-CD1 4.3Å; L120-I147 HydrophobicContact CD1-CG1 4.24Å; L120-I147 HydrophobicContact CD1-CG2 4.33Å; L120-I147 HydrophobicContact CD2-CD1 3.81Å; L120-I147 HydrophobicContact CD2-CG1 4.36Å; L120-I147 HydrophobicContact CD2-CG2 3.88Å; L142-I147 HydrophobicContact CD2-CD1 4.11Å; P144-I147 PolarHBondContact O-N 2.95Å; P144-I147 VanDerWaalsContact O-N 3.16Å; I147-V155 HydrophobicContact CG2-CB 3.9Å; I147-V155 HydrophobicContact CG2-CG1 3.95Å; I147-L157 HydrophobicContact CD1-CD1 3.25Å; I147-L157 HydrophobicContact CD1-CG 4.49Å; I147-L205 HydrophobicContact CD1-CD1 4.31Å; I147-L205 HydrophobicContact CG1-CD1 3.5Å |
| 148 | F | 94.9 | Very high | 88.2 | Confident | 61 Ų | 61 | 36.6 Ų | 36.6 | 27% | 0.268 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 156 | -175.3 | -57.7 | -82.7 | 0 | 0 | 0 | 112 | V68 C89 G92 D93 V155 K156 | V68-F148 HydrophobicContact CG2-CD2 3.7Å; V68-F148 HydrophobicContact CG2-CE2 4.37Å; V68-F148 HydrophobicContact CG2-CG 4.47Å; C89-F148 HydrophobicContact CB-CB 3.49Å; C89-F148 VanDerWaalsContact CB-CB 3.49Å; C89-F148 HydrophobicContact CB-CD1 4.48Å; C89-F148 HydrophobicContact CB-CG 4.21Å; G92-F148 CarbonylContact O-C 3.55Å; G92-F148 VanDerWaalsContact O-CA 3.29Å; G92-F148 WeakPolarHBondContact O-CA 3.43Å; D93-F148 HydrophobicContact CB-CD1 4.13Å; D93-F148 HydrophobicContact CB-CE1 4.25Å; F148-V155 CarbonylContact O-C 3.58Å; F148-V155 VanDerWaalsContact O-CA 3.28Å; F148-V155 WeakPolarHBondContact O-CA 3.41Å; F148-K156 PolarHBondContact N-O 3.36Å; F148-K156 PolarHBondContact O-N 2.85Å |
| 149 | L | 94 | Very high | 88.1 | Confident | 8 Ų | 8 | 37.2 Ų | 37.2 | 4% | 0.042 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 136.2 | 176.9 | -65.6 | 169.8 | 0 | 0 | 0 | 110.5 | C89 G91 G92 L94 L97 F112 N154 V155 | C89-L149 CarbonylContact C-O 3.53Å; C89-L149 WeakPolarHBondContact CB-O 3.43Å; G91-L149 VanDerWaalsContact CA-O 3.23Å; G91-L149 WeakPolarHBondContact CA-O 3.28Å; G91-L149 PolarHBondContact N-O 3.17Å; G92-L149 PolarHBondContact O-N 3.1Å; L94-L149 HydrophobicContact CD2-CD1 4.02Å; L94-L149 HydrophobicContact CD2-CD2 4.01Å; L94-L149 HydrophobicContact CD2-CG 4.08Å; L97-L149 HydrophobicContact CD2-CD1 4.21Å; F112-L149 HydrophobicContact CZ-CD2 4.24Å; L149-N154 WeakPolarHBondContact CA-O 3.4Å; L149-V155 HydrophobicContact CD2-CG1 3.63Å |
| 150 | D | 89.5 | Confident | 87.3 | Confident | 26 Ų | 26 | 37.7 Ų | 37.7 | 14% | 0.139 | 18% | 0.183 | C | C | . | . | trans | -82.7 | 177.5 | 166.3 | 77.9 | 9.5 | 0 | 0 | 0 | 111.8 | K152 Q153 N154 | D150-K152 PolarHBondContact O-N 3.14Å; D150-K152 VanDerWaalsContact O-N 3.09Å; D150-K152 VanDerWaalsContact OD1-C 3.26Å; D150-K152 VanDerWaalsContact OD1-CA 3.29Å; D150-K152 WeakPolarHBondContact OD1-CA 3.41Å; D150-K152 WeakPolarHBondContact OD1-CB 3.35Å; D150-K152 PolarHBondContact OD1-N 3.31Å; D150-Q153 PolarHBondContact O-N 2.73Å; D150-Q153 PolarHBondContact OD1-N 3.12Å; D150-Q153 VanDerWaalsContact OD1-N 3.08Å; D150-N154 PolarHBondContact N-O 2.72Å; D150-N154 PolarHBondContact OD1-N 3.22Å; D150-N154 PolarHBondContact OD1-ND2 2.77Å; D150-N154 WeakPolarHBondContact OD2-CB 3.28Å; D150-N154 PolarHBondContact OD2-ND2 3.17Å | ||
| 151 | I | 86.2 | Confident | 86 | Confident | 118 Ų | 118 | 33.5 Ų | 33.5 | 61% | 0.605 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -21.1 | 178.4 | 62.1 | -179.8 | 0 | 0 | 0 | 114.3 | E90 | E90-I151 HydrophobicContact CB-CG2 3.73Å; E90-I151 HydrophobicContact CG-CG2 3.88Å; E90-I151 WeakPolarHBondContact OE2-CG2 3.44Å |
| 152 | K | 85.3 | Confident | 84.9 | Confident | 144 Ų | 144 | 32 Ų | 32 | 63% | 0.626 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 11.7 | 179.4 | -52.2 | -170.6 | 179.2 | -174.7 | 0 | 111.4 | D150 N154 | D150-K152 PolarHBondContact O-N 3.14Å; D150-K152 VanDerWaalsContact O-N 3.09Å; D150-K152 VanDerWaalsContact OD1-C 3.26Å; D150-K152 VanDerWaalsContact OD1-CA 3.29Å; D150-K152 WeakPolarHBondContact OD1-CA 3.41Å; D150-K152 WeakPolarHBondContact OD1-CB 3.35Å; D150-K152 PolarHBondContact OD1-N 3.31Å; K152-N154 PolarHBondContact O-N 3.37Å |
| 153 | Q | 82.8 | Confident | 82.9 | Confident | 108 Ų | 108 | 32.5 Ų | 32.5 | 51% | 0.505 | 16% | 0.164 | S | C | . | . | trans | 60.1 | 24.4 | -175.8 | -54.3 | -177 | -14.9 | 0 | 0 | 114.4 | F112 D150 | F112-Q153 HydrophobicContact CE2-CB 4.26Å; D150-Q153 PolarHBondContact O-N 2.73Å; D150-Q153 PolarHBondContact OD1-N 3.12Å; D150-Q153 VanDerWaalsContact OD1-N 3.08Å | ||
| 154 | N | 88.4 | Confident | 81 | Confident | 16 Ų | 16 | 35.6 Ų | 35.6 | 9% | 0.086 | 17% | 0.174 | C | C | . | . | trans | -76 | 141.3 | 166.6 | -51.8 | -60.9 | 0 | 0 | 0 | 108.9 | Q119 L149 D150 K152 | Q119-N154 PolarHBondContact NE2-OD1 2.87Å; L149-N154 WeakPolarHBondContact CA-O 3.4Å; D150-N154 PolarHBondContact N-O 2.72Å; D150-N154 PolarHBondContact OD1-N 3.22Å; D150-N154 PolarHBondContact OD1-ND2 2.77Å; D150-N154 WeakPolarHBondContact OD2-CB 3.28Å; D150-N154 PolarHBondContact OD2-ND2 3.17Å; K152-N154 PolarHBondContact O-N 3.37Å | ||
| 155 | V | 94.3 | Very high | 78.9 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 144 | 177 | -66.8 | 0 | 0 | 0 | 0 | 112 | N66 V116 Q119 L120 I147 F148 L149 | N66-V155 WeakPolarHBondContact CA-O 3.42Å; N66-V155 WeakPolarHBondContact CB-O 3.45Å; N66-V155 PolarHBondContact ND2-O 3.27Å; N66-V155 VanDerWaalsContact ND2-O 3.13Å; V116-V155 HydrophobicContact CB-CG1 4.3Å; V116-V155 HydrophobicContact CG1-CG1 4.1Å; V116-V155 HydrophobicContact CG2-CG1 3.75Å; Q119-V155 HydrophobicContact CB-CG2 3.28Å; Q119-V155 HydrophobicContact CG-CG2 4.25Å; L120-V155 HydrophobicContact CD2-CB 4.37Å; L120-V155 HydrophobicContact CD2-CG2 4.06Å; L120-V155 HydrophobicContact CG-CG2 4.05Å; I147-V155 HydrophobicContact CG2-CB 3.9Å; I147-V155 HydrophobicContact CG2-CG1 3.95Å; F148-V155 CarbonylContact O-C 3.58Å; F148-V155 VanDerWaalsContact O-CA 3.28Å; F148-V155 WeakPolarHBondContact O-CA 3.41Å; L149-V155 HydrophobicContact CD2-CG1 3.63Å |
| 156 | K | 94 | Very high | 76.8 | Confident | 13 Ų | 13 | 34.5 Ų | 34.5 | 6% | 0.057 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 117.2 | 174.2 | -71.2 | 173.1 | 172.1 | -75 | 0 | 108.8 | P65 N66 V68 E87 C89 F148 | P65-K156 PolarHBondContact O-NZ 3.17Å; N66-K156 WeakPolarHBondContact O-CA 3.45Å; V68-K156 HydrophobicContact CG2-CB 3.8Å; E87-K156 VanDerWaalsContact CD-CE 3.44Å; E87-K156 WeakPolarHBondContact OE1-CE 3.25Å; E87-K156 IonicContact OE1-NZ 2.75Å; E87-K156 PolarHBondContact OE1-NZ 2.71Å; E87-K156 WeakPolarHBondContact OE2-CE 3.43Å; E87-K156 IonicContact OE2-NZ 3.49Å; E87-K156 PolarHBondContact OE2-NZ 3.41Å; C89-K156 VanDerWaalsContact SG-CD 3.58Å; F148-K156 PolarHBondContact N-O 3.36Å; F148-K156 PolarHBondContact O-N 2.85Å |
| 157 | L | 92.8 | Very high | 74.5 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 126.6 | 171.6 | -176.4 | 53.8 | 0 | 0 | 0 | 109.1 | N66 I67 V68 L120 A123 L124 H139 L142 I147 F160 | N66-L157 WeakPolarHBondContact O-CB 3.34Å; N66-L157 PolarHBondContact O-N 3.24Å; I67-L157 CarbonylContact C-O 3.48Å; I67-L157 WeakPolarHBondContact CA-O 3.37Å; V68-L157 WeakPolarHBondContact CG2-O 3.28Å; V68-L157 PolarHBondContact N-O 3.3Å; L120-L157 HydrophobicContact CD2-CB 4.25Å; A123-L157 HydrophobicContact CB-CB 4.06Å; A123-L157 HydrophobicContact CB-CD2 3.98Å; L124-L157 HydrophobicContact CD2-CD2 4.03Å; H139-L157 VanDerWaalsContact NE2-CD1 3.34Å; H139-L157 WeakPolarHBondContact NE2-CD1 3.31Å; L142-L157 HydrophobicContact CD2-CD1 3.41Å; L142-L157 VanDerWaalsContact CD2-CD1 3.41Å; L142-L157 HydrophobicContact CD2-CD2 4.31Å; I147-L157 HydrophobicContact CD1-CD1 3.25Å; I147-L157 HydrophobicContact CD1-CG 4.49Å; L157-F160 HydrophobicContact CB-CE2 3.9Å; L157-F160 HydrophobicContact CB-CZ 3.95Å; L157-F160 HydrophobicContact CD2-CE1 3.81Å; L157-F160 HydrophobicContact CD2-CE2 4.04Å; L157-F160 HydrophobicContact CD2-CZ 3.28Å; L157-F160 HydrophobicContact CG-CE1 4.13Å; L157-F160 HydrophobicContact CG-CE2 3.56Å; L157-F160 HydrophobicContact CG-CZ 3.36Å; L157-F160 WeakPolarHBondContact O-CE2 3.33Å |
| 158 | G | 87.9 | Confident | 72 | Confident | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | trans | -127.7 | 176.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | H139 N146 | H139-G158 PolarHBondContact NE2-O 2.83Å; N146-G158 PolarHBondContact O-N 3.17Å | ||
| 159 | D | 74.9 | Confident | 69.3 | Low | 43 Ų | 43 | 45.8 Ų | 45.8 | 23% | 0.23 | 22% | 0.221 | C | C | . | . | trans | 65.9 | 28.6 | 178.3 | -142.5 | 17.6 | 0 | 0 | 0 | 116.5 | K37 N146 G161 | K37-D159 IonicContact NZ-OD1 3.75Å; K37-D159 PolarHBondContact NZ-OD1 2.85Å; K37-D159 IonicContact NZ-OD2 3.58Å; K37-D159 PolarHBondContact NZ-OD2 3.42Å; N146-D159 HydrophobicContact CB-CB 4.38Å; D159-G161 VanDerWaalsContact C-N 3.33Å; D159-G161 PolarHBondContact O-N 3.38Å | ||
| 160 | F | 63.4 | Low | 66.7 | Low | 11 Ų | 11 | 47.9 Ų | 47.9 | 5% | 0.048 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -32.4 | 178.3 | -81.4 | -79.7 | 0 | 0 | 0 | 116.6 | L59 L62 I67 C127 H139 L157 | L59-F160 HydrophobicContact CD2-CB 3.35Å; L59-F160 HydrophobicContact CD2-CG 4.42Å; L62-F160 HydrophobicContact CD1-CB 4.33Å; L62-F160 HydrophobicContact CD1-CD1 3.92Å; L62-F160 HydrophobicContact CD1-CD2 4.41Å; L62-F160 HydrophobicContact CD1-CE1 4.29Å; L62-F160 HydrophobicContact CD1-CG 3.97Å; I67-F160 HydrophobicContact CB-CE2 3.99Å; I67-F160 HydrophobicContact CB-CZ 4.45Å; I67-F160 HydrophobicContact CD1-CE1 4.48Å; I67-F160 HydrophobicContact CD1-CE2 3.99Å; I67-F160 HydrophobicContact CD1-CZ 3.62Å; I67-F160 HydrophobicContact CG1-CE2 3.68Å; I67-F160 HydrophobicContact CG1-CZ 3.65Å; I67-F160 HydrophobicContact CG2-CD2 3.92Å; I67-F160 HydrophobicContact CG2-CE2 3.39Å; I67-F160 HydrophobicContact CG2-CZ 4.16Å; C127-F160 HydrophobicContact CB-CE1 4.34Å; C127-F160 WeakPolarHBondContact SG-CE1 3.5Å; C127-F160 VanDerWaalsContact SG-CZ 3.51Å; H139-F160 AromaticContact CD2-CD1 3.54Å; H139-F160 AromaticContact CD2-CE1 3.49Å; H139-F160 VanDerWaalsContact CD2-CE1 3.49Å; H139-F160 WeakPolarHBondContact CD2-CE1 3.34Å; L157-F160 HydrophobicContact CB-CE2 3.9Å; L157-F160 HydrophobicContact CB-CZ 3.95Å; L157-F160 HydrophobicContact CD2-CE1 3.81Å; L157-F160 HydrophobicContact CD2-CE2 4.04Å; L157-F160 HydrophobicContact CD2-CZ 3.28Å; L157-F160 HydrophobicContact CG-CE1 4.13Å; L157-F160 HydrophobicContact CG-CE2 3.56Å; L157-F160 HydrophobicContact CG-CZ 3.36Å; L157-F160 WeakPolarHBondContact O-CE2 3.33Å |
| 161 | G | 52.5 | Low | 64.4 | Low | 2 Ų | 2 | 48.3 Ų | 48.3 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | 22.4 | -151.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | E55 D159 | E55-G161 WeakPolarHBondContact CB-O 3.23Å; D159-G161 VanDerWaalsContact C-N 3.33Å; D159-G161 PolarHBondContact O-N 3.38Å |
| 162 | L | 54 | Low | 61.9 | Low | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.037 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.7 | -18.8 | 171.6 | -65.9 | 171.1 | 0 | 0 | 0 | 112.5 | K37 L39 L52 I84 R164 L166 | K37-L162 HydrophobicContact CD-CD1 3.74Å; L39-L162 HydrophobicContact CD1-CD1 4.09Å; L39-L162 HydrophobicContact CD1-CD2 4.48Å; L39-L162 HydrophobicContact CD2-CD1 3.71Å; L39-L162 HydrophobicContact CD2-CD2 3.32Å; L39-L162 HydrophobicContact CD2-CG 4.12Å; L39-L162 HydrophobicContact CG-CD1 4.33Å; L52-L162 HydrophobicContact CD1-CD2 3.53Å; I84-L162 HydrophobicContact CD1-CD2 4.2Å; L162-R164 VanDerWaalsContact C-N 3.32Å; L162-R164 PolarHBondContact O-N 3.26Å; L162-L166 HydrophobicContact CB-CD1 3.69Å; L162-L166 HydrophobicContact CB-CG 4.39Å; L162-L166 VanDerWaalsContact O-CB 3.26Å; L162-L166 WeakPolarHBondContact O-CB 3.34Å; L162-L166 WeakPolarHBondContact O-CD1 3.37Å; L162-L166 WeakPolarHBondContact O-CG 3.45Å; L162-L166 PolarHBondContact O-N 3.27Å; L162-L166 VanDerWaalsContact O-N 3.16Å |
| 163 | A | 47.6 | Very low | 59.5 | Low | 11 Ų | 11 | 45.6 Ų | 45.6 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.1 | -38.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D141 N167 | D141-A163 HydrophobicContact CB-CB 4.42Å; A163-N167 WeakPolarHBondContact O-CB 3.34Å; A163-N167 PolarHBondContact O-N 2.87Å; A163-N167 PolarHBondContact O-ND2 3.31Å; A163-N167 PolarHBondContact O-OD1 3.09Å |
| 164 | R | 50.1 | Low | 57.5 | Low | 120 Ų | 120 | 44.2 Ų | 44.2 | 45% | 0.453 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.6 | -42.7 | -174.8 | -124.3 | 171.6 | 62.8 | 151.8 | 9.9 | 114.2 | E55 L162 | E55-R164 WeakPolarHBondContact OE1-CB 3.23Å; E55-R164 WeakPolarHBondContact OE1-CD 3.49Å; E55-R164 IonicContact OE1-CZ 3.64Å; E55-R164 IonicContact OE1-NE 3.46Å; E55-R164 PolarHBondContact OE1-NE 3.18Å; E55-R164 IonicContact OE1-NH2 2.73Å; L162-R164 VanDerWaalsContact C-N 3.32Å; L162-R164 PolarHBondContact O-N 3.26Å |
| 165 | I | 47.7 | Very low | 55.4 | Low | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.015 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -80.1 | -46.2 | -175.8 | -56.8 | 165.3 | 0 | 0 | 0 | 109.8 | E48 M51 L52 E55 N167 H168 | E48-I165 HydrophobicContact CB-CG2 4.28Å; M51-I165 HydrophobicContact CB-CD1 3.84Å; M51-I165 HydrophobicContact CB-CG1 3.56Å; M51-I165 HydrophobicContact CB-CG2 4.36Å; M51-I165 HydrophobicContact CE-CG2 4.33Å; M51-I165 WeakPolarHBondContact O-CD1 3.32Å; L52-I165 HydrophobicContact CB-CD1 3.84Å; L52-I165 HydrophobicContact CD1-CD1 4.17Å; E55-I165 HydrophobicContact CB-CD1 4.04Å; E55-I165 HydrophobicContact CG-CD1 3.42Å; E55-I165 VanDerWaalsContact CG-CD1 3.42Å; E55-I165 HydrophobicContact CG-CG1 3.83Å; I165-N167 PolarHBondContact O-N 2.99Å; I165-H168 PolarHBondContact O-N 3.12Å; I165-H168 VanDerWaalsContact O-N 3.12Å |
| 166 | L | 46 | Very low | 52.7 | Low | 19 Ų | 19 | 54.2 Ų | 54.2 | 10% | 0.099 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.8 | -23.3 | 179.5 | -61 | 176.1 | 0 | 0 | 0 | 111.1 | Y19 M44 L162 H168 T170 | Y19-L166 HydrophobicContact CD1-CB 4.44Å; Y19-L166 HydrophobicContact CD1-CD1 3.64Å; Y19-L166 HydrophobicContact CD1-CD2 3.43Å; Y19-L166 VanDerWaalsContact CD1-CD2 3.43Å; Y19-L166 HydrophobicContact CD1-CG 4.01Å; Y19-L166 HydrophobicContact CD2-CD1 3.71Å; Y19-L166 HydrophobicContact CE1-CB 3.87Å; Y19-L166 HydrophobicContact CE1-CD1 3.81Å; Y19-L166 HydrophobicContact CE1-CD2 3.63Å; Y19-L166 HydrophobicContact CE1-CG 3.96Å; Y19-L166 HydrophobicContact CE2-CD1 3.92Å; Y19-L166 HydrophobicContact CG-CD1 3.55Å; Y19-L166 HydrophobicContact CG-CD2 4.14Å; Y19-L166 HydrophobicContact CG-CG 4.41Å; M44-L166 HydrophobicContact CE-CD2 4.49Å; L162-L166 HydrophobicContact CB-CD1 3.69Å; L162-L166 HydrophobicContact CB-CG 4.39Å; L162-L166 VanDerWaalsContact O-CB 3.26Å; L162-L166 WeakPolarHBondContact O-CB 3.34Å; L162-L166 WeakPolarHBondContact O-CD1 3.37Å; L162-L166 WeakPolarHBondContact O-CG 3.45Å; L162-L166 PolarHBondContact O-N 3.27Å; L162-L166 VanDerWaalsContact O-N 3.16Å; L166-H168 VanDerWaalsContact C-N 3.35Å; L166-H168 PolarHBondContact O-N 3.47Å; L166-T170 WeakPolarHBondContact O-CB 3.43Å; L166-T170 PolarHBondContact O-N 3.26Å; L166-T170 PolarHBondContact O-OG1 3.08Å |
| 167 | N | 42.3 | Very low | 50.4 | Low | 58 Ų | 58 | 59.7 Ų | 59.7 | 31% | 0.31 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -11.8 | 177 | -76.1 | -10.3 | 0 | 0 | 0 | 115 | A163 I165 S171 | A163-N167 WeakPolarHBondContact O-CB 3.34Å; A163-N167 PolarHBondContact O-N 2.87Å; A163-N167 PolarHBondContact O-ND2 3.31Å; A163-N167 PolarHBondContact O-OD1 3.09Å; I165-N167 PolarHBondContact O-N 2.99Å; N167-S171 WeakPolarHBondContact O-CB 3.41Å; N167-S171 PolarHBondContact O-OG 3.39Å |
| 168 | H | 42.8 | Very low | 48.7 | Very low | 132 Ų | 132 | 62 Ų | 62 | 61% | 0.611 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -37.8 | -174.9 | -132.1 | -75.4 | 0 | 0 | 0 | 112.5 | I165 L166 | I165-H168 PolarHBondContact O-N 3.12Å; I165-H168 VanDerWaalsContact O-N 3.12Å; L166-H168 VanDerWaalsContact C-N 3.35Å; L166-H168 PolarHBondContact O-N 3.47Å |
| 169 | D | 39.3 | Very low | 47.6 | Very low | 120 Ų | 120 | 64 Ų | 64 | 64% | 0.642 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | -30.3 | 175.7 | -72.7 | -25.4 | 0 | 0 | 0 | 114 | ||
| 170 | T | 39.4 | Very low | 47.9 | Very low | 51 Ų | 51 | 63.9 Ų | 63.9 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -91.6 | -5.7 | -178.8 | 77.3 | 0 | 0 | 0 | 0 | 114.7 | Y19 L166 F172 A173 K174 | Y19-T170 HydrophobicContact CE1-CG2 4.29Å; Y19-T170 WeakPolarHBondContact CE1-OG1 3.42Å; Y19-T170 PolarHBondContact OH-OG1 2.66Å; L166-T170 WeakPolarHBondContact O-CB 3.43Å; L166-T170 PolarHBondContact O-N 3.26Å; L166-T170 PolarHBondContact O-OG1 3.08Å; T170-F172 PolarHBondContact O-N 2.99Å; T170-A173 PolarHBondContact O-N 3.15Å; T170-A173 VanDerWaalsContact O-N 3.08Å; T170-K174 PolarHBondContact O-N 2.96Å |
| 171 | S | 39.9 | Very low | 49.1 | Very low | 36 Ų | 36 | 66.7 Ų | 66.7 | 25% | 0.252 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.8 | -30.3 | 172.8 | 67.8 | 0 | 0 | 0 | 0 | 111.5 | N167 A173 K174 T175 | N167-S171 WeakPolarHBondContact O-CB 3.41Å; N167-S171 PolarHBondContact O-OG 3.39Å; S171-A173 VanDerWaalsContact C-N 3.32Å; S171-A173 PolarHBondContact O-N 2.97Å; S171-K174 PolarHBondContact O-N 2.98Å; S171-T175 VanDerWaalsContact O-CB 3.31Å; S171-T175 WeakPolarHBondContact O-CB 3.4Å; S171-T175 WeakPolarHBondContact O-CG2 3.38Å; S171-T175 PolarHBondContact O-N 2.91Å; S171-T175 PolarHBondContact O-OG1 3.41Å |
| 172 | F | 35.3 | Very low | 51 | Low | 142 Ų | 142 | 68.4 Ų | 68.4 | 62% | 0.623 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.4 | -35 | 173.4 | -100.1 | -86.5 | 0 | 0 | 0 | 112.5 | T170 T175 | T170-F172 PolarHBondContact O-N 2.99Å; F172-T175 WeakPolarHBondContact CA-OG1 3.4Å; F172-T175 PolarHBondContact O-OG1 3.21Å |
| 173 | A | 34.6 | Very low | 52.7 | Low | 62 Ų | 62 | 70.3 Ų | 70.3 | 51% | 0.512 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -81.4 | -38 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T170 S171 F176 V177 | T170-A173 PolarHBondContact O-N 3.15Å; T170-A173 VanDerWaalsContact O-N 3.08Å; S171-A173 VanDerWaalsContact C-N 3.32Å; S171-A173 PolarHBondContact O-N 2.97Å; A173-F176 WeakPolarHBondContact O-CB 3.46Å; A173-F176 PolarHBondContact O-N 2.94Å; A173-V177 PolarHBondContact O-N 3.24Å |
| 174 | K | 40 | Very low | 54.8 | Low | 79 Ų | 79 | 69.8 Ų | 69.8 | 34% | 0.343 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.2 | -34.8 | 174.9 | -106.5 | -174.4 | 175.6 | 170.4 | 0 | 113.3 | Y19 T170 S171 F176 V177 | Y19-K174 HydrophobicContact CE2-CD 4.39Å; Y19-K174 VanDerWaalsContact OH-CD 3.26Å; Y19-K174 WeakPolarHBondContact OH-CD 3.5Å; Y19-K174 WeakPolarHBondContact OH-CE 3.2Å; Y19-K174 PolarHBondContact OH-NZ 3.24Å; T170-K174 PolarHBondContact O-N 2.96Å; S171-K174 PolarHBondContact O-N 2.98Å; K174-F176 PolarHBondContact O-N 3.26Å; K174-V177 PolarHBondContact O-N 3.23Å |
| 175 | T | 44.1 | Very low | 56.7 | Low | 57 Ų | 57 | 64.4 Ų | 64.4 | 35% | 0.35 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -4.8 | 168.6 | 44.1 | 0 | 0 | 0 | 0 | 112.3 | S171 F172 Q221 | S171-T175 VanDerWaalsContact O-CB 3.31Å; S171-T175 WeakPolarHBondContact O-CB 3.4Å; S171-T175 WeakPolarHBondContact O-CG2 3.38Å; S171-T175 PolarHBondContact O-N 2.91Å; S171-T175 PolarHBondContact O-OG1 3.41Å; F172-T175 WeakPolarHBondContact CA-OG1 3.4Å; F172-T175 PolarHBondContact O-OG1 3.21Å; T175-Q221 VanDerWaalsContact O-CD 3.27Å; T175-Q221 PolarHBondContact O-NE2 2.73Å; T175-Q221 PolarHBondContact O-OE1 3.46Å; T175-Q221 VanDerWaalsContact O-OE1 3.09Å |
| 176 | F | 37.2 | Very low | 58.6 | Low | 171 Ų | 171 | 64.8 Ų | 64.8 | 75% | 0.75 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | -16.8 | 170 | -102.5 | -94.3 | 0 | 0 | 0 | 113.7 | A173 K174 | A173-F176 WeakPolarHBondContact O-CB 3.46Å; A173-F176 PolarHBondContact O-N 2.94Å; K174-F176 PolarHBondContact O-N 3.26Å |
| 177 | V | 45.8 | Very low | 60.4 | Low | 127 Ų | 127 | 66 Ų | 66 | 77% | 0.77 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -119.7 | 73.2 | -175 | -168.9 | 0 | 0 | 0 | 0 | 109.8 | A173 K174 | A173-V177 PolarHBondContact O-N 3.24Å; K174-V177 PolarHBondContact O-N 3.23Å |
| 178 | G | 57.6 | Low | 62.4 | Low | 48 Ų | 48 | 65.3 Ų | 65.3 | 50% | 0.495 | 35% | 0.352 | S | S | . | . | S | Bend | trans | 146.3 | 160.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q221 | G178-Q221 PolarHBondContact O-NE2 2.88Š|
| 179 | T | 64.7 | Low | 64.1 | Low | 44 Ų | 44 | 63 Ų | 63 | 27% | 0.27 | 34% | 0.344 | S | S | . | . | trans | -98.7 | 111.9 | 174.8 | -57.8 | 0 | 0 | 0 | 0 | 108.4 | Y181 L224 | T179-Y181 VanDerWaalsContact C-N 3.3Å; T179-Y181 VanDerWaalsContact CB-CZ 3.48Å; T179-Y181 HydrophobicContact CG2-CD1 3.8Å; T179-Y181 HydrophobicContact CG2-CD2 4.43Å; T179-Y181 HydrophobicContact CG2-CE1 3.28Å; T179-Y181 HydrophobicContact CG2-CE2 3.97Å; T179-Y181 HydrophobicContact CG2-CG 4.35Å; T179-Y181 WeakPolarHBondContact O-CD2 3.46Å; T179-Y181 WeakPolarHBondContact O-CE2 3.36Å; T179-Y181 PolarHBondContact O-N 3.44Å; T179-L224 HydrophobicContact CG2-CD2 3.58Å | ||
| 180 | P | 81.9 | Confident | 65.8 | Low | 42 Ų | 42 | 67.8 Ų | 67.8 | 27% | 0.273 | 35% | 0.353 | S | S | . | . | trans | -79.7 | 69.5 | -169.8 | 32.8 | -37.9 | 0 | 0 | 0 | 112.9 | Y182 M183 L224 | P180-Y182 PolarHBondContact O-N 2.86Å; P180-M183 HydrophobicContact CB-CB 4.15Å; P180-M183 HydrophobicContact CB-CE 3.96Å; P180-M183 HydrophobicContact CG-CE 4.38Å; P180-M183 WeakPolarHBondContact O-CB 3.24Å; P180-M183 PolarHBondContact O-N 3.48Å; P180-L224 HydrophobicContact CG-CD2 4.07Å | ||
| 181 | Y | 88.9 | Confident | 67.6 | Low | 69 Ų | 69 | 71.1 Ų | 71.1 | 27% | 0.271 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -20.7 | -171.9 | -62.6 | -66.6 | 0 | 0 | 0 | 116.1 | T179 P214 F216 T217 L224 | T179-Y181 VanDerWaalsContact C-N 3.3Å; T179-Y181 VanDerWaalsContact CB-CZ 3.48Å; T179-Y181 HydrophobicContact CG2-CD1 3.8Å; T179-Y181 HydrophobicContact CG2-CD2 4.43Å; T179-Y181 HydrophobicContact CG2-CE1 3.28Å; T179-Y181 HydrophobicContact CG2-CE2 3.97Å; T179-Y181 HydrophobicContact CG2-CG 4.35Å; T179-Y181 WeakPolarHBondContact O-CD2 3.46Å; T179-Y181 WeakPolarHBondContact O-CE2 3.36Å; T179-Y181 PolarHBondContact O-N 3.44Å; Y181-P214 HydrophobicContact CD1-CB 4.17Å; Y181-P214 HydrophobicContact CD1-CG 4.16Å; Y181-P214 HydrophobicContact CD2-CG 4.38Å; Y181-P214 HydrophobicContact CG-CB 4.2Å; Y181-P214 HydrophobicContact CG-CG 3.97Å; Y181-F216 VanDerWaalsContact CD1-O 3.28Å; Y181-F216 WeakPolarHBondContact CD1-O 3.49Å; Y181-T217 HydrophobicContact CE1-CG2 4.35Å; Y181-L224 HydrophobicContact CD1-CD1 4.47Å |
| 182 | Y | 92.1 | Very high | 69.3 | Low | 38 Ų | 38 | 74.1 Ų | 74.1 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 0.8 | -175.1 | -46 | -85.3 | 0 | 0 | 0 | 113.3 | L142 K143 P144 P180 S201 C204 E208 | L142-Y182 WeakPolarHBondContact O-CB 3.31Å; K143-Y182 HydrophobicContact CB-CD2 3.63Å; K143-Y182 HydrophobicContact CB-CE2 3.62Å; K143-Y182 HydrophobicContact CB-CG 4.23Å; P144-Y182 WeakPolarHBondContact CD-OH 3.5Å; P144-Y182 HydrophobicContact CG-CE1 4.18Å; P144-Y182 WeakPolarHBondContact CG-OH 3.49Å; P180-Y182 PolarHBondContact O-N 2.86Å; Y182-S201 PolarHBondContact O-OG 3Å; Y182-C204 HydrophobicContact CD1-CB 3.65Å; Y182-C204 HydrophobicContact CE1-CB 4.38Å; Y182-C204 HydrophobicContact CG-CB 4.49Å; Y182-E208 VanDerWaalsContact CE1-OE2 3.24Å; Y182-E208 WeakPolarHBondContact CE1-OE2 3.28Å; Y182-E208 VanDerWaalsContact CZ-OE2 3.24Å; Y182-E208 PolarHBondContact OH-OE1 3.39Å; Y182-E208 PolarHBondContact OH-OE2 3.35Å |
| 183 | M | 89.7 | Confident | 71.3 | Confident | 47 Ų | 47 | 69.3 Ų | 69.3 | 23% | 0.232 | 37% | 0.365 | C | S | . | . | trans | -70.9 | 135 | -178 | -170.2 | 176.1 | -74.1 | 0 | 0 | 111 | P180 Q187 I188 W200 | P180-M183 HydrophobicContact CB-CB 4.15Å; P180-M183 HydrophobicContact CB-CE 3.96Å; P180-M183 HydrophobicContact CG-CE 4.38Å; P180-M183 WeakPolarHBondContact O-CB 3.24Å; P180-M183 PolarHBondContact O-N 3.48Å; M183-Q187 HydrophobicContact CG-CB 3.34Å; M183-Q187 HydrophobicContact CG-CG 4.24Å; M183-Q187 HydrophobicContact SD-CB 4.01Å; M183-I188 HydrophobicContact CB-CG1 4.4Å; M183-I188 HydrophobicContact CG-CG1 3.84Å; M183-I188 HydrophobicContact SD-CG1 3.7Å; M183-W200 PolarHBondContact O-NE1 3.21Å; M183-W200 VanDerWaalsContact O-NE1 3.08Å | ||
| 184 | S | 90.8 | Very high | 73.6 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | trans | -79.6 | 159.5 | -179.9 | 68.7 | 0 | 0 | 0 | 0 | 113.2 | E186 Q187 I188 W200 | S184-E186 VanDerWaalsContact C-N 3.27Å; S184-E186 VanDerWaalsContact CB-CD 3.45Å; S184-E186 WeakPolarHBondContact CB-OE1 3.27Å; S184-E186 WeakPolarHBondContact CB-OE2 3.5Å; S184-E186 PolarHBondContact O-N 3.08Å; S184-E186 WeakPolarHBondContact OG-CG 3.37Å; S184-E186 PolarHBondContact OG-OE1 2.71Å; S184-E186 PolarHBondContact OG-OE2 3.2Å; S184-Q187 WeakPolarHBondContact O-CB 3.41Å; S184-Q187 PolarHBondContact O-N 3.43Å; S184-Q187 VanDerWaalsContact O-N 3.07Å; S184-Q187 WeakPolarHBondContact OG-CG 3.02Å; S184-Q187 PolarHBondContact OG-OE1 3.38Å; S184-I188 WeakPolarHBondContact O-CG1 3.45Å; S184-I188 PolarHBondContact O-N 3.24Å; S184-W200 VanDerWaalsContact CA-CD1 3.43Å | ||
| 185 | P | 91.6 | Very high | 75.9 | Confident | 8 Ų | 8 | 68 Ų | 68 | 5% | 0.052 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -54.4 | -41.4 | 178.1 | -26.1 | 33.2 | 0 | 0 | 0 | 113.2 | Q187 I188 N189 W200 I228 L254 | P185-Q187 PolarHBondContact O-N 2.89Å; P185-I188 PolarHBondContact O-N 3.05Å; P185-N189 WeakPolarHBondContact O-CB 3.29Å; P185-N189 VanDerWaalsContact O-CG 3.23Å; P185-N189 PolarHBondContact O-N 3.39Å; P185-N189 PolarHBondContact O-ND2 2.86Å; P185-W200 HydrophobicContact CG-CE3 4.17Å; P185-W200 HydrophobicContact CG-CH2 3.64Å; P185-W200 HydrophobicContact CG-CZ2 4.04Å; P185-W200 HydrophobicContact CG-CZ3 3.71Å; P185-I228 HydrophobicContact CB-CG2 4.32Å; P185-I228 HydrophobicContact CG-CG2 3.8Å; P185-L254 HydrophobicContact CG-CD2 3.91Å |
| 186 | E | 87.1 | Confident | 78.2 | Confident | 10 Ų | 10 | 66.6 Ų | 66.6 | 5% | 0.047 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66 | -35.6 | 177.8 | 64.7 | -82.9 | -175.5 | 0 | 0 | 112.4 | S184 N189 R190 M191 S197 R259 | S184-E186 VanDerWaalsContact C-N 3.27Å; S184-E186 VanDerWaalsContact CB-CD 3.45Å; S184-E186 WeakPolarHBondContact CB-OE1 3.27Å; S184-E186 WeakPolarHBondContact CB-OE2 3.5Å; S184-E186 PolarHBondContact O-N 3.08Å; S184-E186 WeakPolarHBondContact OG-CG 3.37Å; S184-E186 PolarHBondContact OG-OE1 2.71Å; S184-E186 PolarHBondContact OG-OE2 3.2Å; E186-N189 CarbonylContact O-C 3.49Å; E186-N189 PolarHBondContact O-N 2.78Å; E186-R190 PolarHBondContact O-N 2.89Å; E186-M191 HydrophobicContact CB-CB 4Å; E186-M191 HydrophobicContact CB-SD 4.32Å; E186-M191 WeakPolarHBondContact O-CB 3.16Å; E186-M191 PolarHBondContact O-N 2.92Å; E186-S197 WeakPolarHBondContact CG-OG 3.32Å; E186-S197 VanDerWaalsContact OE1-CA 3.25Å; E186-S197 WeakPolarHBondContact OE1-CA 3.42Å; E186-S197 VanDerWaalsContact OE1-CB 3.25Å; E186-S197 WeakPolarHBondContact OE1-CB 3.41Å; E186-S197 PolarHBondContact OE1-OG 2.84Å; E186-R259 IonicContact OE1-CZ 3.44Å; E186-R259 IonicContact OE1-NH1 2.74Å; E186-R259 PolarHBondContact OE1-NH1 3.15Å; E186-R259 IonicContact OE1-NH2 3.5Å; E186-R259 IonicContact OE2-CZ 3.7Å; E186-R259 IonicContact OE2-NH1 2.82Å; E186-R259 PolarHBondContact OE2-NH1 3.31Å; E186-R259 IonicContact OE2-NH2 3.33Å; E186-R259 PolarHBondContact OE2-NH2 3.4Å |
| 187 | Q | 83.9 | Confident | 80.8 | Confident | 46 Ų | 46 | 58.5 Ų | 58.5 | 22% | 0.215 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.3 | -42 | 173.3 | -74.7 | -178.5 | -80 | 0 | 0 | 112.2 | M183 S184 P185 N189 R190 Y193 | M183-Q187 HydrophobicContact CG-CB 3.34Å; M183-Q187 HydrophobicContact CG-CG 4.24Å; M183-Q187 HydrophobicContact SD-CB 4.01Å; S184-Q187 WeakPolarHBondContact O-CB 3.41Å; S184-Q187 PolarHBondContact O-N 3.43Å; S184-Q187 VanDerWaalsContact O-N 3.07Å; S184-Q187 WeakPolarHBondContact OG-CG 3.02Å; S184-Q187 PolarHBondContact OG-OE1 3.38Å; P185-Q187 PolarHBondContact O-N 2.89Å; Q187-N189 VanDerWaalsContact C-N 3.27Å; Q187-N189 PolarHBondContact O-N 3.14Å; Q187-R190 PolarHBondContact O-N 3.08Å; Q187-R190 VanDerWaalsContact O-N 3.1Å; Q187-Y193 VanDerWaalsContact CD-CD2 3.43Å; Q187-Y193 HydrophobicContact CG-CD2 3.53Å; Q187-Y193 HydrophobicContact CG-CE2 3.93Å; Q187-Y193 VanDerWaalsContact NE2-CE2 3.3Å |
| 188 | I | 83 | Confident | 83.1 | Confident | 42 Ų | 42 | 52.4 Ų | 52.4 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 177.3 | -66.8 | 172.6 | 0 | 0 | 0 | 110.5 | M183 S184 P185 R190 A225 I228 | M183-I188 HydrophobicContact CB-CG1 4.4Å; M183-I188 HydrophobicContact CG-CG1 3.84Å; M183-I188 HydrophobicContact SD-CG1 3.7Å; S184-I188 WeakPolarHBondContact O-CG1 3.45Å; S184-I188 PolarHBondContact O-N 3.24Å; P185-I188 PolarHBondContact O-N 3.05Å; I188-R190 PolarHBondContact O-N 3.19Å; I188-A225 HydrophobicContact CD1-CB 4.48Å; I188-A225 HydrophobicContact CG2-CB 3.65Å; I188-I228 HydrophobicContact CD1-CB 3.68Å; I188-I228 HydrophobicContact CD1-CD1 3.43Å; I188-I228 VanDerWaalsContact CD1-CD1 3.43Å; I188-I228 HydrophobicContact CD1-CG1 4.13Å; I188-I228 HydrophobicContact CD1-CG2 3.49Å; I188-I228 VanDerWaalsContact CD1-CG2 3.49Å |
| 189 | N | 78.9 | Confident | 84.9 | Confident | 84 Ų | 84 | 50.2 Ų | 50.2 | 45% | 0.449 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 6.8 | 178 | -64.4 | -26.4 | 0 | 0 | 0 | 113.5 | P185 E186 Q187 M191 | P185-N189 WeakPolarHBondContact O-CB 3.29Å; P185-N189 VanDerWaalsContact O-CG 3.23Å; P185-N189 PolarHBondContact O-N 3.39Å; P185-N189 PolarHBondContact O-ND2 2.86Å; E186-N189 CarbonylContact O-C 3.49Å; E186-N189 PolarHBondContact O-N 2.78Å; Q187-N189 VanDerWaalsContact C-N 3.27Å; Q187-N189 PolarHBondContact O-N 3.14Å; N189-M191 HydrophobicContact CB-CG 4.08Å; N189-M191 HydrophobicContact CB-SD 4.21Å; N189-M191 PolarHBondContact O-N 3.04Å |
| 190 | R | 75.9 | Confident | 86.5 | Confident | 220 Ų | 220 | 48.1 Ų | 48.1 | 83% | 0.83 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 30.5 | -178.8 | -52.8 | -178.3 | 178.4 | -160.2 | -1.7 | 113.9 | E186 Q187 I188 | E186-R190 PolarHBondContact O-N 2.89Å; Q187-R190 PolarHBondContact O-N 3.08Å; Q187-R190 VanDerWaalsContact O-N 3.1Å; I188-R190 PolarHBondContact O-N 3.19Å |
| 191 | M | 76.8 | Confident | 87.2 | Confident | 121 Ų | 121 | 46.3 Ų | 46.3 | 60% | 0.596 | 22% | 0.22 | S | C | * | . | P | Polyproline II helix | trans | -83.8 | 170.5 | 172.7 | -60.8 | 176.2 | 65.9 | 0 | 0 | 110.5 | E186 N189 Y193 | E186-M191 HydrophobicContact CB-CB 4Å; E186-M191 HydrophobicContact CB-SD 4.32Å; E186-M191 WeakPolarHBondContact O-CB 3.16Å; E186-M191 PolarHBondContact O-N 2.92Å; N189-M191 HydrophobicContact CB-CG 4.08Å; N189-M191 HydrophobicContact CB-SD 4.21Å; N189-M191 PolarHBondContact O-N 3.04Å; M191-Y193 PolarHBondContact O-N 2.88Å |
| 192 | S | 75.4 | Confident | 87.6 | Confident | 100 Ų | 100 | 43 Ų | 43 | 70% | 0.699 | 21% | 0.207 | S | C | * | . | P | Polyproline II helix | trans | -65.6 | 128.1 | 179.7 | 51.9 | 0 | 0 | 0 | 0 | 112 | ||
| 193 | Y | 77.8 | Confident | 87.9 | Confident | 40 Ų | 40 | 41.2 Ų | 41.2 | 16% | 0.157 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 132.3 | 172.5 | -166.7 | -77.5 | 0 | 0 | 0 | 110.5 | L138 R140 Q187 M191 D198 | L138-Y193 HydrophobicContact CB-CD1 3.98Å; L138-Y193 HydrophobicContact CB-CE1 3.84Å; L138-Y193 HydrophobicContact CD1-CD1 3.56Å; L138-Y193 HydrophobicContact CD1-CE1 4.24Å; L138-Y193 HydrophobicContact CD2-CD1 4.31Å; L138-Y193 HydrophobicContact CD2-CE1 4.27Å; L138-Y193 HydrophobicContact CG-CD1 4.13Å; L138-Y193 HydrophobicContact CG-CE1 4.32Å; R140-Y193 HydrophobicContact CB-CE2 4.48Å; R140-Y193 HydrophobicContact CG-CD1 4.13Å; R140-Y193 HydrophobicContact CG-CE1 3.92Å; R140-Y193 HydrophobicContact CG-CE2 4.38Å; R140-Y193 HydrophobicContact CG-CG 4.44Å; Q187-Y193 VanDerWaalsContact CD-CD2 3.43Å; Q187-Y193 HydrophobicContact CG-CD2 3.53Å; Q187-Y193 HydrophobicContact CG-CE2 3.93Å; Q187-Y193 VanDerWaalsContact NE2-CE2 3.3Å; M191-Y193 PolarHBondContact O-N 2.88Å; Y193-D198 PolarHBondContact OH-N 3.25Å; Y193-D198 PolarHBondContact OH-OD1 3.42Å |
| 194 | N | 82.5 | Confident | 88.3 | Confident | 33 Ų | 33 | 39 Ų | 39 | 18% | 0.176 | 19% | 0.189 | C | C | . | . | trans | -131.1 | 179.5 | 176.8 | 64.8 | 21.9 | 0 | 0 | 0 | 111.4 | K196 S197 D256 | N194-K196 PolarHBondContact O-N 2.9Å; N194-K196 WeakPolarHBondContact OD1-CA 3.12Å; N194-K196 VanDerWaalsContact OD1-CB 3.28Å; N194-K196 WeakPolarHBondContact OD1-CB 3.49Å; N194-K196 PolarHBondContact OD1-N 3.49Å; N194-S197 PolarHBondContact N-OG 3.32Å; N194-S197 WeakPolarHBondContact O-CB 3.39Å; N194-S197 PolarHBondContact O-N 3.35Å; N194-S197 PolarHBondContact O-OG 2.85Å; N194-S197 PolarHBondContact OD1-N 3.12Å; N194-S197 PolarHBondContact OD1-OG 3.25Å; N194-D256 PolarHBondContact ND2-OD2 3.39Å | ||
| 195 | E | 88.5 | Confident | 88.6 | Confident | 81 Ų | 81 | 39 Ų | 39 | 38% | 0.379 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -59.7 | -27.5 | 178.4 | 71.6 | -70.6 | 165.9 | 0 | 0 | 112.7 | L138 S197 D198 I199 | L138-E195 HydrophobicContact CD2-CB 4.23Å; E195-S197 VanDerWaalsContact C-N 3.31Å; E195-S197 PolarHBondContact O-N 3.45Å; E195-D198 WeakPolarHBondContact O-CB 3.44Å; E195-D198 PolarHBondContact O-N 3.12Å; E195-I199 PolarHBondContact O-N 3.01Å |
| 196 | K | 93.2 | Very high | 88.9 | Confident | 28 Ų | 28 | 38.6 Ų | 38.6 | 12% | 0.122 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -74.7 | -20.7 | 176.3 | -55.8 | -58.4 | -166.2 | 74.7 | 0 | 112.7 | N194 D198 I199 W200 D256 R259 | N194-K196 PolarHBondContact O-N 2.9Å; N194-K196 WeakPolarHBondContact OD1-CA 3.12Å; N194-K196 VanDerWaalsContact OD1-CB 3.28Å; N194-K196 WeakPolarHBondContact OD1-CB 3.49Å; N194-K196 PolarHBondContact OD1-N 3.49Å; K196-D198 VanDerWaalsContact C-N 3.34Å; K196-I199 HydrophobicContact CD-CG1 4.41Å; K196-I199 PolarHBondContact O-N 3.47Å; K196-W200 PolarHBondContact O-N 3.29Å; K196-W200 VanDerWaalsContact O-N 3.08Å; K196-D256 HydrophobicContact CB-CB 3.88Å; K196-D256 HydrophobicContact CG-CB 4.49Å; K196-D256 WeakPolarHBondContact CG-O 3.29Å; K196-D256 PolarHBondContact NZ-O 2.93Å; K196-R259 HydrophobicContact CD-CB 4.46Å; K196-R259 PolarHBondContact NZ-O 3.22Å; K196-R259 WeakPolarHBondContact O-CD 3.4Å; K196-R259 PolarHBondContact O-NH1 3.35Å |
| 197 | S | 91.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67 | -36.2 | 168.8 | -51.1 | 0 | 0 | 0 | 0 | 111.5 | E186 N194 E195 I199 W200 S201 | E186-S197 WeakPolarHBondContact CG-OG 3.32Å; E186-S197 VanDerWaalsContact OE1-CA 3.25Å; E186-S197 WeakPolarHBondContact OE1-CA 3.42Å; E186-S197 VanDerWaalsContact OE1-CB 3.25Å; E186-S197 WeakPolarHBondContact OE1-CB 3.41Å; E186-S197 PolarHBondContact OE1-OG 2.84Å; N194-S197 PolarHBondContact N-OG 3.32Å; N194-S197 WeakPolarHBondContact O-CB 3.39Å; N194-S197 PolarHBondContact O-N 3.35Å; N194-S197 PolarHBondContact O-OG 2.85Å; N194-S197 PolarHBondContact OD1-N 3.12Å; N194-S197 PolarHBondContact OD1-OG 3.25Å; E195-S197 VanDerWaalsContact C-N 3.31Å; E195-S197 PolarHBondContact O-N 3.45Å; S197-I199 VanDerWaalsContact C-N 3.34Å; S197-W200 PolarHBondContact O-N 2.96Å; S197-S201 PolarHBondContact O-N 3.49Å; S197-S201 VanDerWaalsContact O-N 3.14Å; S197-S201 PolarHBondContact O-OG 2.9Å |
| 198 | D | 92.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.2 | -38.8 | 171.5 | -77.4 | -42.6 | 0 | 0 | 0 | 110.5 | L124 H128 H139 R140 L142 Y193 E195 K196 W200 S201 L202 | L124-D198 HydrophobicContact CD1-CB 4.4Å; L124-D198 HydrophobicContact CD2-CB 4.29Å; H128-D198 IonicContact CD2-OD2 3.55Å; H128-D198 IonicContact CE1-OD2 2.64Å; H128-D198 IonicContact NE2-OD2 3.7Å; H128-D198 PolarHBondContact NE2-OD2 2.88Å; H139-D198 WeakPolarHBondContact CB-OD1 3.14Å; H139-D198 PolarHBondContact N-OD1 3.44Å; H139-D198 PolarHBondContact N-OD2 2.9Å; H139-D198 VanDerWaalsContact N-OD2 3.15Å; R140-D198 PolarHBondContact N-OD1 3.1Å; L142-D198 HydrophobicContact CD1-CB 4.02Å; L142-D198 WeakPolarHBondContact CD1-O 3.42Å; Y193-D198 PolarHBondContact OH-N 3.25Å; Y193-D198 PolarHBondContact OH-OD1 3.42Å; E195-D198 WeakPolarHBondContact O-CB 3.44Å; E195-D198 PolarHBondContact O-N 3.12Å; K196-D198 VanDerWaalsContact C-N 3.34Å; D198-W200 PolarHBondContact O-N 3.47Å; D198-S201 PolarHBondContact O-N 2.88Å; D198-L202 WeakPolarHBondContact O-CB 3.49Å; D198-L202 PolarHBondContact O-N 2.78Å |
| 199 | I | 97.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 176.5 | -58.7 | -55.1 | 0 | 0 | 0 | 112.1 | E195 K196 S197 L202 G203 M251 R259 V262 I265 | E195-I199 PolarHBondContact O-N 3.01Å; K196-I199 HydrophobicContact CD-CG1 4.41Å; K196-I199 PolarHBondContact O-N 3.47Å; S197-I199 VanDerWaalsContact C-N 3.34Å; I199-L202 PolarHBondContact O-N 3.48Å; I199-G203 PolarHBondContact O-N 3.04Å; I199-M251 HydrophobicContact CG2-CB 4.15Å; I199-M251 HydrophobicContact CG2-CE 4.01Å; I199-M251 HydrophobicContact CG2-CG 3.99Å; I199-M251 WeakPolarHBondContact O-CE 3.27Å; I199-R259 HydrophobicContact CG2-CB 4.12Å; I199-V262 HydrophobicContact CD1-CG2 3.89Å; I199-I265 HydrophobicContact CD1-CD1 3.93Å; I199-I265 HydrophobicContact CG2-CD1 4.22Å |
| 200 | W | 97.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.8 | -49.3 | 173.2 | 173.7 | -81.1 | 0 | 0 | 0 | 111.3 | M183 S184 P185 K196 S197 D198 L202 G203 C204 F216 I228 L252 N253 L254 | M183-W200 PolarHBondContact O-NE1 3.21Å; M183-W200 VanDerWaalsContact O-NE1 3.08Å; S184-W200 VanDerWaalsContact CA-CD1 3.43Å; P185-W200 HydrophobicContact CG-CE3 4.17Å; P185-W200 HydrophobicContact CG-CH2 3.64Å; P185-W200 HydrophobicContact CG-CZ2 4.04Å; P185-W200 HydrophobicContact CG-CZ3 3.71Å; K196-W200 PolarHBondContact O-N 3.29Å; K196-W200 VanDerWaalsContact O-N 3.08Å; S197-W200 PolarHBondContact O-N 2.96Å; D198-W200 PolarHBondContact O-N 3.47Å; W200-L202 VanDerWaalsContact C-N 3.31Å; W200-L202 PolarHBondContact O-N 2.5Å; W200-G203 WeakPolarHBondContact O-CA 3.36Å; W200-G203 PolarHBondContact O-N 3.16Å; W200-C204 PolarHBondContact O-N 3.47Å; W200-F216 AromaticContact CH2-CE2 3.78Å; W200-F216 HydrophobicContact CH2-CE2 3.78Å; W200-F216 AromaticContact CH2-CZ 3.84Å; W200-F216 HydrophobicContact CH2-CZ 3.84Å; W200-F216 HydrophobicContact CZ2-CD2 4.15Å; W200-F216 AromaticContact CZ2-CE2 3.36Å; W200-F216 HydrophobicContact CZ2-CE2 3.36Å; W200-F216 AromaticContact CZ2-CZ 3.91Å; W200-F216 HydrophobicContact CZ2-CZ 3.91Å; W200-I228 HydrophobicContact CH2-CG2 4.21Å; W200-I228 HydrophobicContact CZ2-CG2 3.75Å; W200-L252 HydrophobicContact CD2-CD2 4.13Å; W200-L252 HydrophobicContact CE3-CD2 4.35Å; W200-L252 VanDerWaalsContact CZ3-C 3.46Å; W200-L252 HydrophobicContact CZ3-CB 4.46Å; W200-L252 VanDerWaalsContact CZ3-O 3.24Å; W200-L252 WeakPolarHBondContact CZ3-O 3.18Å; W200-N253 WeakPolarHBondContact CZ3-O 3.39Å; W200-L254 HydrophobicContact CH2-CD2 4.43Å |
| 201 | S | 95.9 | Very high | 92.9 | Very high | 4 Ų | 4 | 22.1 Ų | 22.1 | 3% | 0.028 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.4 | -41.3 | -178.6 | -51.1 | 0 | 0 | 0 | 0 | 111.5 | Y182 S197 D198 G203 C204 L205 | Y182-S201 PolarHBondContact O-OG 3Å; S197-S201 PolarHBondContact O-N 3.49Å; S197-S201 VanDerWaalsContact O-N 3.14Å; S197-S201 PolarHBondContact O-OG 2.9Å; D198-S201 PolarHBondContact O-N 2.88Å; S201-G203 VanDerWaalsContact C-N 3.34Å; S201-C204 PolarHBondContact O-N 2.82Å; S201-L205 PolarHBondContact O-N 3.45Å |
| 202 | L | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.1 | -41.2 | 172.5 | -179 | 61.6 | 0 | 0 | 0 | 111.4 | L120 L124 L142 D198 I199 W200 L205 L206 M251 | L120-L202 HydrophobicContact CB-CD1 3.83Å; L120-L202 HydrophobicContact CD1-CD1 3.64Å; L120-L202 HydrophobicContact CG-CD1 4.4Å; L124-L202 HydrophobicContact CD1-CB 4.43Å; L124-L202 HydrophobicContact CD1-CD2 3.9Å; L142-L202 HydrophobicContact CD1-CB 4.31Å; D198-L202 WeakPolarHBondContact O-CB 3.49Å; D198-L202 PolarHBondContact O-N 2.78Å; I199-L202 PolarHBondContact O-N 3.48Å; W200-L202 VanDerWaalsContact C-N 3.31Å; W200-L202 PolarHBondContact O-N 2.5Å; L202-L205 PolarHBondContact O-N 3.45Å; L202-L206 HydrophobicContact CD1-CD1 3.96Å; L202-L206 HydrophobicContact CD1-CG 4.1Å; L202-L206 HydrophobicContact CD2-CD1 4.4Å; L202-L206 HydrophobicContact CG-CD1 3.74Å; L202-L206 HydrophobicContact CG-CG 4.34Å; L202-L206 WeakPolarHBondContact O-CB 3.43Å; L202-L206 WeakPolarHBondContact O-CD1 3.44Å; L202-L206 VanDerWaalsContact O-CG 3.25Å; L202-L206 WeakPolarHBondContact O-CG 3.25Å; L202-L206 PolarHBondContact O-N 3.32Å; L202-M251 HydrophobicContact CB-CE 3.83Å; L202-M251 HydrophobicContact CD2-CE 3.7Å; L202-M251 HydrophobicContact CG-CE 3.62Å |
| 203 | G | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.1 | -45.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I199 W200 S201 L205 L206 Y207 | I199-G203 PolarHBondContact O-N 3.04Å; W200-G203 WeakPolarHBondContact O-CA 3.36Å; W200-G203 PolarHBondContact O-N 3.16Å; S201-G203 VanDerWaalsContact C-N 3.34Å; G203-L205 PolarHBondContact O-N 3.22Å; G203-L206 PolarHBondContact O-N 3.04Å; G203-Y207 VanDerWaalsContact O-CB 3.28Å; G203-Y207 WeakPolarHBondContact O-CB 3.4Å; G203-Y207 PolarHBondContact O-N 3.33Å |
| 204 | C | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61 | -44.4 | 175.6 | -74.2 | 0 | 0 | 0 | 0 | 111.8 | Y182 W200 S201 Y207 E208 P215 L252 | Y182-C204 HydrophobicContact CD1-CB 3.65Å; Y182-C204 HydrophobicContact CE1-CB 4.38Å; Y182-C204 HydrophobicContact CG-CB 4.49Å; W200-C204 PolarHBondContact O-N 3.47Å; S201-C204 PolarHBondContact O-N 2.82Å; C204-Y207 PolarHBondContact O-N 3.33Å; C204-E208 WeakPolarHBondContact O-CB 3.41Å; C204-E208 PolarHBondContact O-N 2.9Å; C204-P215 HydrophobicContact CB-CG 4.09Å; C204-P215 VanDerWaalsContact SG-CG 3.6Å; C204-L252 VanDerWaalsContact SG-CD2 3.57Å |
| 205 | L | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.8 | -48 | 178.4 | -177.9 | 153 | 0 | 0 | 0 | 111.8 | L94 L120 P144 I147 S201 L202 G203 E208 L209 | L94-L205 HydrophobicContact CD1-CD2 4.16Å; L120-L205 HydrophobicContact CD1-CD1 4.5Å; L120-L205 HydrophobicContact CD1-CD2 4Å; P144-L205 HydrophobicContact CG-CD1 4.45Å; P144-L205 HydrophobicContact CG-CG 4.29Å; I147-L205 HydrophobicContact CD1-CD1 4.31Å; I147-L205 HydrophobicContact CG1-CD1 3.5Å; S201-L205 PolarHBondContact O-N 3.45Å; L202-L205 PolarHBondContact O-N 3.45Å; G203-L205 PolarHBondContact O-N 3.22Å; L205-E208 PolarHBondContact O-N 3.39Å; L205-L209 HydrophobicContact CD2-CD1 3.81Å; L205-L209 HydrophobicContact CD2-CG 4.3Å; L205-L209 WeakPolarHBondContact O-CG 3.48Å; L205-L209 PolarHBondContact O-N 2.82Å |
| 206 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -67.9 | -37.8 | -179.5 | -67.1 | 163.8 | 0 | 0 | 0 | 111.7 | I113 V116 M117 L202 G203 E208 L209 C210 L248 M251 | I113-L206 HydrophobicContact CG2-CD2 4.26Å; V116-L206 HydrophobicContact CG1-CD2 4.27Å; M117-L206 HydrophobicContact CB-CD1 4.19Å; M117-L206 HydrophobicContact CB-CD2 3.83Å; M117-L206 HydrophobicContact CE-CD1 3.87Å; M117-L206 HydrophobicContact CE-CD2 4.39Å; M117-L206 HydrophobicContact CG-CD1 3.75Å; M117-L206 HydrophobicContact CG-CD2 4.34Å; M117-L206 HydrophobicContact SD-CD1 4.31Å; L202-L206 HydrophobicContact CD1-CD1 3.96Å; L202-L206 HydrophobicContact CD1-CG 4.1Å; L202-L206 HydrophobicContact CD2-CD1 4.4Å; L202-L206 HydrophobicContact CG-CD1 3.74Å; L202-L206 HydrophobicContact CG-CG 4.34Å; L202-L206 WeakPolarHBondContact O-CB 3.43Å; L202-L206 WeakPolarHBondContact O-CD1 3.44Å; L202-L206 VanDerWaalsContact O-CG 3.25Å; L202-L206 WeakPolarHBondContact O-CG 3.25Å; L202-L206 PolarHBondContact O-N 3.32Å; G203-L206 PolarHBondContact O-N 3.04Å; L206-E208 VanDerWaalsContact C-N 3.3Å; L206-E208 PolarHBondContact O-N 3.39Å; L206-L209 HydrophobicContact CD2-CD1 4.35Å; L206-L209 PolarHBondContact O-N 2.78Å; L206-C210 PolarHBondContact O-N 2.8Å; L206-C210 VanDerWaalsContact O-N 3.13Å; L206-C210 PolarHBondContact O-SG 2.73Å; L206-L248 HydrophobicContact CB-CD2 3.5Å; L206-L248 HydrophobicContact CD1-CD2 4.13Å; L206-L248 HydrophobicContact CG-CD2 4.49Å; L206-M251 HydrophobicContact CD1-CE 3.98Å; L206-M251 HydrophobicContact CD1-SD 4.15Å |
| 207 | Y | 98.7 | Very high | 96.8 | Very high | 13 Ų | 13 | 11 Ų | 11 | 5% | 0.051 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -57.8 | -45.5 | 171 | -178.9 | -78.3 | 0 | 0 | 0 | 111 | G203 C204 L209 C210 A211 S213 P215 F233 R234 I236 L252 | G203-Y207 VanDerWaalsContact O-CB 3.28Å; G203-Y207 WeakPolarHBondContact O-CB 3.4Å; G203-Y207 PolarHBondContact O-N 3.33Å; C204-Y207 PolarHBondContact O-N 3.33Å; Y207-L209 PolarHBondContact O-N 3.22Å; Y207-C210 WeakPolarHBondContact O-CA 3.37Å; Y207-C210 WeakPolarHBondContact O-CB 3.25Å; Y207-C210 PolarHBondContact O-N 2.84Å; Y207-A211 HydrophobicContact CD1-CB 4.05Å; Y207-A211 HydrophobicContact CE1-CB 3.57Å; Y207-A211 WeakPolarHBondContact O-CB 3.14Å; Y207-A211 PolarHBondContact O-N 2.83Å; Y207-S213 WeakPolarHBondContact CD1-O 3.37Å; Y207-S213 WeakPolarHBondContact CE1-O 3.37Å; Y207-P215 HydrophobicContact CD1-CB 3.69Å; Y207-P215 HydrophobicContact CD1-CG 4.12Å; Y207-P215 HydrophobicContact CD2-CB 4.15Å; Y207-P215 VanDerWaalsContact CE1-CA 3.42Å; Y207-P215 HydrophobicContact CE1-CB 3.88Å; Y207-P215 HydrophobicContact CE2-CB 4.31Å; Y207-P215 HydrophobicContact CG-CB 3.84Å; Y207-P215 HydrophobicContact CG-CG 4.23Å; Y207-F233 HydrophobicContact CD2-CD2 4.18Å; Y207-F233 HydrophobicContact CD2-CE2 4.44Å; Y207-F233 AromaticContact CE2-CD2 3.73Å; Y207-F233 HydrophobicContact CE2-CD2 3.73Å; Y207-F233 HydrophobicContact CE2-CE2 4.31Å; Y207-R234 VanDerWaalsContact CE2-O 3.22Å; Y207-R234 WeakPolarHBondContact CE2-O 3.34Å; Y207-R234 PolarHBondContact OH-O 3.32Å; Y207-I236 HydrophobicContact CD2-CG2 3.53Å; Y207-I236 HydrophobicContact CE2-CG2 3.63Å; Y207-I236 HydrophobicContact CG-CG2 4.27Å; Y207-L252 HydrophobicContact CD2-CD1 4.37Å |
| 208 | E | 98.4 | Very high | 96.8 | Very high | 22 Ų | 22 | 11.7 Ų | 11.7 | 10% | 0.103 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.7 | -36.5 | 179.4 | -171.6 | 179.8 | -172.5 | 0 | 0 | 112.5 | I98 P144 Y182 C204 L205 L206 C210 A211 L212 P214 | I98-E208 HydrophobicContact CD1-CG 3.93Å; P144-E208 VanDerWaalsContact CG-OE2 3.31Å; P144-E208 WeakPolarHBondContact CG-OE2 3.28Å; Y182-E208 VanDerWaalsContact CE1-OE2 3.24Å; Y182-E208 WeakPolarHBondContact CE1-OE2 3.28Å; Y182-E208 VanDerWaalsContact CZ-OE2 3.24Å; Y182-E208 PolarHBondContact OH-OE1 3.39Å; Y182-E208 PolarHBondContact OH-OE2 3.35Å; C204-E208 WeakPolarHBondContact O-CB 3.41Å; C204-E208 PolarHBondContact O-N 2.9Å; L205-E208 PolarHBondContact O-N 3.39Å; L206-E208 VanDerWaalsContact C-N 3.3Å; L206-E208 PolarHBondContact O-N 3.39Å; E208-C210 PolarHBondContact O-N 2.82Å; E208-A211 PolarHBondContact O-N 2.95Å; E208-L212 WeakPolarHBondContact O-CA 3.42Å; E208-L212 PolarHBondContact O-N 2.86Å; E208-P214 HydrophobicContact CG-CG 4.44Å |
| 209 | L | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.9 | -34.6 | 170.9 | -67.4 | 174.5 | 0 | 0 | 0 | 112.1 | L94 I98 L108 I113 V116 L205 L206 Y207 | L94-L209 HydrophobicContact CD1-CD1 4.22Å; L94-L209 HydrophobicContact CD1-CD2 4.31Å; L94-L209 HydrophobicContact CD2-CD2 4.47Å; I98-L209 HydrophobicContact CD1-CD2 3.9Å; I98-L209 HydrophobicContact CG1-CD2 3.85Å; L108-L209 HydrophobicContact CD1-CB 4.1Å; L108-L209 HydrophobicContact CD1-CD2 3.67Å; L108-L209 HydrophobicContact CD1-CG 4.46Å; I113-L209 HydrophobicContact CD1-CB 4.42Å; I113-L209 HydrophobicContact CG1-CB 4.27Å; V116-L209 HydrophobicContact CB-CD1 4.28Å; V116-L209 HydrophobicContact CG1-CD1 3.79Å; V116-L209 HydrophobicContact CG2-CD1 4.42Å; L205-L209 HydrophobicContact CD2-CD1 3.81Å; L205-L209 HydrophobicContact CD2-CG 4.3Å; L205-L209 WeakPolarHBondContact O-CG 3.48Å; L205-L209 PolarHBondContact O-N 2.82Å; L206-L209 HydrophobicContact CD2-CD1 4.35Å; L206-L209 PolarHBondContact O-N 2.78Å; Y207-L209 PolarHBondContact O-N 3.22Å |
| 210 | C | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -73.2 | -53.1 | 176.9 | -61.4 | 0 | 0 | 0 | 0 | 111.7 | Y107 I113 L206 Y207 E208 I236 Y240 | Y107-C210 WeakPolarHBondContact CD1-O 3.3Å; Y107-C210 WeakPolarHBondContact CE1-O 3.48Å; I113-C210 HydrophobicContact CD1-CB 4.44Å; L206-C210 PolarHBondContact O-N 2.8Å; L206-C210 VanDerWaalsContact O-N 3.13Å; L206-C210 PolarHBondContact O-SG 2.73Å; Y207-C210 WeakPolarHBondContact O-CA 3.37Å; Y207-C210 WeakPolarHBondContact O-CB 3.25Å; Y207-C210 PolarHBondContact O-N 2.84Å; E208-C210 PolarHBondContact O-N 2.82Å; C210-I236 HydrophobicContact CB-CB 3.98Å; C210-I236 HydrophobicContact CB-CD1 4.49Å; C210-I236 HydrophobicContact CB-CG2 3.77Å; C210-Y240 WeakPolarHBondContact CA-OH 3.44Å; C210-Y240 HydrophobicContact CB-CD2 3.96Å; C210-Y240 HydrophobicContact CB-CE2 3.63Å; C210-Y240 WeakPolarHBondContact O-CE2 3.4Å; C210-Y240 PolarHBondContact O-OH 3.24Å |
| 211 | A | 98.1 | Very high | 95.3 | Very high | 21 Ų | 21 | 29.6 Ų | 29.6 | 17% | 0.174 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -92.1 | -10.6 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y207 E208 S213 | Y207-A211 HydrophobicContact CD1-CB 4.05Å; Y207-A211 HydrophobicContact CE1-CB 3.57Å; Y207-A211 WeakPolarHBondContact O-CB 3.14Å; Y207-A211 PolarHBondContact O-N 2.83Å; E208-A211 PolarHBondContact O-N 2.95Å; A211-S213 PolarHBondContact O-N 3.26Å |
| 212 | L | 97.6 | Very high | 94.9 | Very high | 24 Ų | 24 | 36.5 Ų | 36.5 | 13% | 0.126 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 55.8 | 24.9 | -169.6 | -53.4 | 178.8 | 0 | 0 | 0 | 113.2 | I98 C101 I102 Y107 E208 | I98-L212 HydrophobicContact CG2-CD2 4.27Å; C101-L212 HydrophobicContact CB-CD1 4.05Å; C101-L212 HydrophobicContact CB-CD2 3.78Å; I102-L212 HydrophobicContact CD1-CB 4.32Å; I102-L212 WeakPolarHBondContact CD1-O 3.41Å; I102-L212 HydrophobicContact CG1-CB 3.75Å; I102-L212 HydrophobicContact CG1-CD1 4.16Å; I102-L212 HydrophobicContact CG1-CG 4.44Å; Y107-L212 HydrophobicContact CD1-CD1 3.88Å; Y107-L212 HydrophobicContact CD1-CG 3.89Å; Y107-L212 HydrophobicContact CE1-CD1 4.1Å; Y107-L212 HydrophobicContact CE1-CG 4.07Å; E208-L212 WeakPolarHBondContact O-CA 3.42Å; E208-L212 PolarHBondContact O-N 2.86Å |
| 213 | S | 96.4 | Very high | 94.6 | Very high | 52 Ų | 52 | 38.8 Ų | 38.8 | 36% | 0.364 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -158.3 | 141.4 | 178.3 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | Y207 A211 | Y207-S213 WeakPolarHBondContact CD1-O 3.37Å; Y207-S213 WeakPolarHBondContact CE1-O 3.37Å; A211-S213 PolarHBondContact O-N 3.26Å |
| 214 | P | 96.6 | Very high | 94.3 | Very high | 18 Ų | 18 | 38.9 Ų | 38.9 | 12% | 0.117 | 19% | 0.193 | C | C | . | . | trans | -58.3 | 155.3 | 176.5 | -24 | 33.4 | 0 | 0 | 0 | 113 | Y181 E208 F216 T217 | Y181-P214 HydrophobicContact CD1-CB 4.17Å; Y181-P214 HydrophobicContact CD1-CG 4.16Å; Y181-P214 HydrophobicContact CD2-CG 4.38Å; Y181-P214 HydrophobicContact CG-CB 4.2Å; Y181-P214 HydrophobicContact CG-CG 3.97Å; E208-P214 HydrophobicContact CG-CG 4.44Å; P214-F216 VanDerWaalsContact C-N 3.29Å; P214-F216 PolarHBondContact O-N 3.22Å; P214-T217 HydrophobicContact CB-CG2 4.21Å; P214-T217 HydrophobicContact CG-CG2 4.42Å | ||
| 215 | P | 97.3 | Very high | 93.9 | Very high | 12 Ų | 12 | 39.8 Ų | 39.8 | 8% | 0.078 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -65.7 | -32.1 | 180 | 24.3 | -32 | 0 | 0 | 0 | 113.1 | C204 Y207 F233 L252 | C204-P215 HydrophobicContact CB-CG 4.09Å; C204-P215 VanDerWaalsContact SG-CG 3.6Å; Y207-P215 HydrophobicContact CD1-CB 3.69Å; Y207-P215 HydrophobicContact CD1-CG 4.12Å; Y207-P215 HydrophobicContact CD2-CB 4.15Å; Y207-P215 VanDerWaalsContact CE1-CA 3.42Å; Y207-P215 HydrophobicContact CE1-CB 3.88Å; Y207-P215 HydrophobicContact CE2-CB 4.31Å; Y207-P215 HydrophobicContact CG-CB 3.84Å; Y207-P215 HydrophobicContact CG-CG 4.23Å; P215-F233 HydrophobicContact CB-CB 3.91Å; P215-F233 HydrophobicContact CB-CD2 4.45Å; P215-F233 HydrophobicContact CB-CG 4.16Å; P215-F233 WeakPolarHBondContact O-CB 3.31Å; P215-L252 HydrophobicContact CB-CD1 4.06Å; P215-L252 HydrophobicContact CG-CD1 4.12Å |
| 216 | F | 96.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -120.9 | 119.6 | 178.7 | -48.9 | -78 | 0 | 0 | 0 | 108.9 | Y181 W200 P214 L224 K227 I228 F233 | Y181-F216 VanDerWaalsContact CD1-O 3.28Å; Y181-F216 WeakPolarHBondContact CD1-O 3.49Å; W200-F216 AromaticContact CH2-CE2 3.78Å; W200-F216 HydrophobicContact CH2-CE2 3.78Å; W200-F216 AromaticContact CH2-CZ 3.84Å; W200-F216 HydrophobicContact CH2-CZ 3.84Å; W200-F216 HydrophobicContact CZ2-CD2 4.15Å; W200-F216 AromaticContact CZ2-CE2 3.36Å; W200-F216 HydrophobicContact CZ2-CE2 3.36Å; W200-F216 AromaticContact CZ2-CZ 3.91Å; W200-F216 HydrophobicContact CZ2-CZ 3.91Å; P214-F216 VanDerWaalsContact C-N 3.29Å; P214-F216 PolarHBondContact O-N 3.22Å; F216-L224 HydrophobicContact CB-CD1 3.73Å; F216-L224 WeakPolarHBondContact O-CD1 3.48Å; F216-K227 HydrophobicContact CD1-CB 4.32Å; F216-I228 HydrophobicContact CB-CG1 3.87Å; F216-I228 HydrophobicContact CD1-CG1 4.3Å; F216-I228 HydrophobicContact CD2-CG1 3.82Å; F216-I228 HydrophobicContact CE2-CG1 4.48Å; F216-I228 HydrophobicContact CG-CG1 3.72Å; F216-F233 HydrophobicContact CE1-CB 4.1Å; F216-F233 AromaticContact CE1-CD1 3.92Å; F216-F233 HydrophobicContact CE1-CD1 3.92Å; F216-F233 HydrophobicContact CE1-CG 4.48Å; F216-F233 HydrophobicContact CZ-CB 4.39Å; F216-F233 AromaticContact CZ-CD1 3.63Å; F216-F233 HydrophobicContact CZ-CD1 3.63Å; F216-F233 HydrophobicContact CZ-CE1 4.37Å; F216-F233 HydrophobicContact CZ-CG 4.36Å |
| 217 | T | 92.8 | Very high | 93.5 | Very high | 62 Ų | 62 | 46.8 Ų | 46.8 | 38% | 0.38 | 23% | 0.231 | S | C | . | . | trans | -128.1 | 144 | 177.5 | 57.9 | 0 | 0 | 0 | 0 | 110.2 | Y181 P214 K227 | Y181-T217 HydrophobicContact CE1-CG2 4.35Å; P214-T217 HydrophobicContact CB-CG2 4.21Å; P214-T217 HydrophobicContact CG-CG2 4.42Å; T217-K227 WeakPolarHBondContact O-CD 3.48Å; T217-K227 WeakPolarHBondContact O-CE 3.19Å; T217-K227 PolarHBondContact O-NZ 3.39Å | ||
| 218 | A | 90.4 | Very high | 93.3 | Very high | 13 Ų | 13 | 46.1 Ų | 46.1 | 11% | 0.107 | 23% | 0.229 | C | C | . | . | trans | -157.9 | 163.5 | -179 | 0 | 0 | 0 | 0 | 0 | 110.4 | E223 L224 K227 | A218-E223 HydrophobicContact CB-CB 3.86Å; A218-E223 HydrophobicContact CB-CG 3.8Å; A218-L224 HydrophobicContact CB-CB 3.82Å; A218-L224 HydrophobicContact CB-CD1 4.49Å; A218-L224 VanDerWaalsContact CB-N 3.31Å; A218-K227 HydrophobicContact CB-CD 4.45Å | ||
| 219 | Y | 85.1 | Confident | 93 | Very high | 225 Ų | 225 | 51 Ų | 51 | 88% | 0.882 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -84.2 | -20.4 | 178.1 | -64.2 | -76.4 | 0 | 0 | 0 | 113 | E223 | Y219-E223 PolarHBondContact N-OE2 3.27Å; Y219-E223 VanDerWaalsContact N-OE2 3.1Å |
| 220 | N | 85.9 | Confident | 92.9 | Very high | 79 Ų | 79 | 56.6 Ų | 56.6 | 42% | 0.422 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -143.7 | 165.3 | 178.2 | 66.6 | 74.6 | 0 | 0 | 0 | 111 | K222 E223 L224 | N220-K222 PolarHBondContact O-N 3.3Å; N220-K222 WeakPolarHBondContact OD1-CB 3.17Å; N220-K222 PolarHBondContact OD1-N 3.33Å; N220-K222 VanDerWaalsContact OD1-N 3.12Å; N220-E223 PolarHBondContact O-N 2.96Å; N220-E223 PolarHBondContact OD1-N 3.32Å; N220-L224 PolarHBondContact O-N 3.15Å |
| 221 | Q | 84.3 | Confident | 92.6 | Very high | 73 Ų | 73 | 57.5 Ų | 57.5 | 34% | 0.341 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -69 | -31.8 | -174.3 | -66.5 | -179.3 | -7.5 | 0 | 0 | 113.9 | T175 G178 L224 A225 | T175-Q221 VanDerWaalsContact O-CD 3.27Å; T175-Q221 PolarHBondContact O-NE2 2.73Å; T175-Q221 PolarHBondContact O-OE1 3.46Å; T175-Q221 VanDerWaalsContact O-OE1 3.09Å; G178-Q221 PolarHBondContact O-NE2 2.88Å; Q221-L224 PolarHBondContact O-N 3.34Å; Q221-A225 VanDerWaalsContact O-CB 3.31Å; Q221-A225 WeakPolarHBondContact O-CB 3.26Å; Q221-A225 PolarHBondContact O-N 2.72Å |
| 222 | K | 87.8 | Confident | 92.5 | Very high | 150 Ų | 150 | 64.1 Ų | 64.1 | 65% | 0.652 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65.7 | -47.9 | 178.1 | -175.7 | -175.1 | 173.9 | -172.1 | 0 | 110.4 | N220 L224 A225 E226 | N220-K222 PolarHBondContact O-N 3.3Å; N220-K222 WeakPolarHBondContact OD1-CB 3.17Å; N220-K222 PolarHBondContact OD1-N 3.33Å; N220-K222 VanDerWaalsContact OD1-N 3.12Å; K222-L224 VanDerWaalsContact C-N 3.33Å; K222-L224 PolarHBondContact O-N 3.49Å; K222-A225 WeakPolarHBondContact O-CB 3.38Å; K222-A225 PolarHBondContact O-N 3.01Å; K222-E226 WeakPolarHBondContact CE-OE1 3.42Å; K222-E226 WeakPolarHBondContact O-CG 3.47Å; K222-E226 PolarHBondContact O-N 3.48Å |
| 223 | E | 91.4 | Very high | 92.5 | Very high | 48 Ų | 48 | 65.9 Ų | 65.9 | 22% | 0.224 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 176 | -175 | -158.7 | 162.3 | 0 | 0 | 111 | A218 Y219 N220 A225 E226 K227 | A218-E223 HydrophobicContact CB-CB 3.86Å; A218-E223 HydrophobicContact CB-CG 3.8Å; Y219-E223 PolarHBondContact N-OE2 3.27Å; Y219-E223 VanDerWaalsContact N-OE2 3.1Å; N220-E223 PolarHBondContact O-N 2.96Å; N220-E223 PolarHBondContact OD1-N 3.32Å; E223-A225 VanDerWaalsContact C-N 3.34Å; E223-A225 PolarHBondContact O-N 3.21Å; E223-E226 PolarHBondContact O-N 3.02Å; E223-K227 PolarHBondContact O-N 3.25Å; E223-K227 IonicContact OE1-NZ 3.9Å; E223-K227 PolarHBondContact OE1-NZ 3.3Å |
| 224 | L | 91.7 | Very high | 92.5 | Very high | 2 Ų | 2 | 73.6 Ų | 73.6 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -59.9 | -46.6 | 173.5 | -178.1 | 61.9 | 0 | 0 | 0 | 111.1 | T179 P180 Y181 F216 A218 N220 Q221 K222 E226 K227 I228 | T179-L224 HydrophobicContact CG2-CD2 3.58Å; P180-L224 HydrophobicContact CG-CD2 4.07Å; Y181-L224 HydrophobicContact CD1-CD1 4.47Å; F216-L224 HydrophobicContact CB-CD1 3.73Å; F216-L224 WeakPolarHBondContact O-CD1 3.48Å; A218-L224 HydrophobicContact CB-CB 3.82Å; A218-L224 HydrophobicContact CB-CD1 4.49Å; A218-L224 VanDerWaalsContact CB-N 3.31Å; N220-L224 PolarHBondContact O-N 3.15Å; Q221-L224 PolarHBondContact O-N 3.34Å; K222-L224 VanDerWaalsContact C-N 3.33Å; K222-L224 PolarHBondContact O-N 3.49Å; L224-E226 VanDerWaalsContact C-N 3.28Å; L224-E226 PolarHBondContact O-N 3.05Å; L224-K227 PolarHBondContact O-N 3.01Å; L224-I228 HydrophobicContact CD1-CD1 3.89Å; L224-I228 HydrophobicContact CD1-CG1 4.22Å; L224-I228 HydrophobicContact CD2-CD1 4.22Å; L224-I228 HydrophobicContact CG-CD1 3.71Å; L224-I228 HydrophobicContact CG-CG1 4.39Å; L224-I228 WeakPolarHBondContact O-CG1 3.49Å; L224-I228 PolarHBondContact O-N 2.9Å |
| 225 | A | 90.7 | Very high | 92.6 | Very high | 18 Ų | 18 | 75.9 Ų | 75.9 | 15% | 0.149 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.3 | -31.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I188 Q221 K222 E223 R229 | I188-A225 HydrophobicContact CD1-CB 4.48Å; I188-A225 HydrophobicContact CG2-CB 3.65Å; Q221-A225 VanDerWaalsContact O-CB 3.31Å; Q221-A225 WeakPolarHBondContact O-CB 3.26Å; Q221-A225 PolarHBondContact O-N 2.72Å; K222-A225 WeakPolarHBondContact O-CB 3.38Å; K222-A225 PolarHBondContact O-N 3.01Å; E223-A225 VanDerWaalsContact C-N 3.34Å; E223-A225 PolarHBondContact O-N 3.21Å; A225-R229 WeakPolarHBondContact O-CB 3.12Å; A225-R229 VanDerWaalsContact O-CG 3.3Å; A225-R229 WeakPolarHBondContact O-CG 3.45Å; A225-R229 PolarHBondContact O-N 3.1Å; A225-R229 VanDerWaalsContact O-N 3.11Å; A225-R229 PolarHBondContact O-NE 3.32Å |
| 226 | E | 92.9 | Very high | 92.6 | Very high | 77 Ų | 77 | 75.4 Ų | 75.4 | 36% | 0.36 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.3 | -50.5 | 171.6 | -72.8 | 169.1 | -177.2 | 0 | 0 | 110.9 | K222 E223 L224 I228 R229 E230 | K222-E226 WeakPolarHBondContact CE-OE1 3.42Å; K222-E226 WeakPolarHBondContact O-CG 3.47Å; K222-E226 PolarHBondContact O-N 3.48Å; E223-E226 PolarHBondContact O-N 3.02Å; L224-E226 VanDerWaalsContact C-N 3.28Å; L224-E226 PolarHBondContact O-N 3.05Å; E226-I228 VanDerWaalsContact C-N 3.33Å; E226-I228 PolarHBondContact O-N 2.69Å; E226-R229 PolarHBondContact O-N 2.73Å; E226-R229 VanDerWaalsContact O-N 3.11Å; E226-E230 PolarHBondContact O-N 3.36Å |
| 227 | K | 94.6 | Very high | 92.7 | Very high | 70 Ų | 70 | 76.6 Ų | 76.6 | 30% | 0.304 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.1 | -41.4 | 177.3 | -77 | 173.3 | 169.2 | 163.1 | 0 | 113.1 | F216 T217 A218 E223 L224 E230 G231 | F216-K227 HydrophobicContact CD1-CB 4.32Å; T217-K227 WeakPolarHBondContact O-CD 3.48Å; T217-K227 WeakPolarHBondContact O-CE 3.19Å; T217-K227 PolarHBondContact O-NZ 3.39Å; A218-K227 HydrophobicContact CB-CD 4.45Å; E223-K227 PolarHBondContact O-N 3.25Å; E223-K227 IonicContact OE1-NZ 3.9Å; E223-K227 PolarHBondContact OE1-NZ 3.3Å; L224-K227 PolarHBondContact O-N 3.01Å; K227-E230 PolarHBondContact O-N 3.26Å; K227-G231 PolarHBondContact O-N 2.8Å; K227-G231 VanDerWaalsContact O-N 3.12Å |
| 228 | I | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 177 | -68.6 | 170.2 | 0 | 0 | 0 | 110.8 | P185 I188 W200 F216 L224 E226 E230 G231 L254 | P185-I228 HydrophobicContact CB-CG2 4.32Å; P185-I228 HydrophobicContact CG-CG2 3.8Å; I188-I228 HydrophobicContact CD1-CB 3.68Å; I188-I228 HydrophobicContact CD1-CD1 3.43Å; I188-I228 VanDerWaalsContact CD1-CD1 3.43Å; I188-I228 HydrophobicContact CD1-CG1 4.13Å; I188-I228 HydrophobicContact CD1-CG2 3.49Å; I188-I228 VanDerWaalsContact CD1-CG2 3.49Å; W200-I228 HydrophobicContact CH2-CG2 4.21Å; W200-I228 HydrophobicContact CZ2-CG2 3.75Å; F216-I228 HydrophobicContact CB-CG1 3.87Å; F216-I228 HydrophobicContact CD1-CG1 4.3Å; F216-I228 HydrophobicContact CD2-CG1 3.82Å; F216-I228 HydrophobicContact CE2-CG1 4.48Å; F216-I228 HydrophobicContact CG-CG1 3.72Å; L224-I228 HydrophobicContact CD1-CD1 3.89Å; L224-I228 HydrophobicContact CD1-CG1 4.22Å; L224-I228 HydrophobicContact CD2-CD1 4.22Å; L224-I228 HydrophobicContact CG-CD1 3.71Å; L224-I228 HydrophobicContact CG-CG1 4.39Å; L224-I228 WeakPolarHBondContact O-CG1 3.49Å; L224-I228 PolarHBondContact O-N 2.9Å; E226-I228 VanDerWaalsContact C-N 3.33Å; E226-I228 PolarHBondContact O-N 2.69Å; I228-E230 VanDerWaalsContact C-N 3.33Å; I228-E230 PolarHBondContact O-N 3.37Å; I228-G231 PolarHBondContact O-N 2.61Å; I228-L254 WeakPolarHBondContact O-CD2 3.44Å |
| 229 | R | 92 | Very high | 93.3 | Very high | 124 Ų | 124 | 87.1 Ų | 87.1 | 47% | 0.468 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.5 | -33.1 | 175.3 | -80.8 | 179.6 | -71.8 | 145.1 | -8.1 | 113.1 | A225 E226 G231 L254 | A225-R229 WeakPolarHBondContact O-CB 3.12Å; A225-R229 VanDerWaalsContact O-CG 3.3Å; A225-R229 WeakPolarHBondContact O-CG 3.45Å; A225-R229 PolarHBondContact O-N 3.1Å; A225-R229 VanDerWaalsContact O-N 3.11Å; A225-R229 PolarHBondContact O-NE 3.32Å; E226-R229 PolarHBondContact O-N 2.73Å; E226-R229 VanDerWaalsContact O-N 3.11Å; R229-G231 VanDerWaalsContact C-N 3.31Å; R229-L254 WeakPolarHBondContact O-CD1 3.42Å |
| 230 | E | 94.9 | Very high | 94 | Very high | 117 Ų | 117 | 76.6 Ų | 76.6 | 55% | 0.547 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.7 | -29.3 | 173.8 | -72.5 | -176.3 | -160.6 | 0 | 0 | 112.6 | E226 K227 I228 K232 | E226-E230 PolarHBondContact O-N 3.36Å; K227-E230 PolarHBondContact O-N 3.26Å; I228-E230 VanDerWaalsContact C-N 3.33Å; I228-E230 PolarHBondContact O-N 3.37Å; E230-K232 PolarHBondContact O-N 2.73Å |
| 231 | G | 94.1 | Very high | 94.5 | Very high | 19 Ų | 19 | 74.2 Ų | 74.2 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.8 | 17.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | K227 I228 R229 | K227-G231 PolarHBondContact O-N 2.8Å; K227-G231 VanDerWaalsContact O-N 3.12Å; I228-G231 PolarHBondContact O-N 2.61Å; R229-G231 VanDerWaalsContact C-N 3.31Å |
| 232 | K | 95 | Very high | 95.2 | Very high | 160 Ų | 160 | 75.6 Ų | 75.6 | 70% | 0.696 | 34% | 0.336 | S | S | * | . | trans | -97.4 | 123.5 | 179.3 | -66.7 | 177.1 | -176 | 170.5 | 0 | 110.2 | E230 | E230-K232 PolarHBondContact O-N 2.73Š| ||
| 233 | F | 96.9 | Very high | 95.6 | Very high | 61 Ų | 61 | 74.2 Ų | 74.2 | 27% | 0.268 | 33% | 0.331 | S | S | . | . | trans | -139.8 | 162.6 | 175 | 53.3 | -85.7 | 0 | 0 | 0 | 109.3 | Y207 P215 F216 L252 | Y207-F233 HydrophobicContact CD2-CD2 4.18Å; Y207-F233 HydrophobicContact CD2-CE2 4.44Å; Y207-F233 AromaticContact CE2-CD2 3.73Å; Y207-F233 HydrophobicContact CE2-CD2 3.73Å; Y207-F233 HydrophobicContact CE2-CE2 4.31Å; P215-F233 HydrophobicContact CB-CB 3.91Å; P215-F233 HydrophobicContact CB-CD2 4.45Å; P215-F233 HydrophobicContact CB-CG 4.16Å; P215-F233 WeakPolarHBondContact O-CB 3.31Å; F216-F233 HydrophobicContact CE1-CB 4.1Å; F216-F233 AromaticContact CE1-CD1 3.92Å; F216-F233 HydrophobicContact CE1-CD1 3.92Å; F216-F233 HydrophobicContact CE1-CG 4.48Å; F216-F233 HydrophobicContact CZ-CB 4.39Å; F216-F233 AromaticContact CZ-CD1 3.63Å; F216-F233 HydrophobicContact CZ-CD1 3.63Å; F216-F233 HydrophobicContact CZ-CE1 4.37Å; F216-F233 HydrophobicContact CZ-CG 4.36Å; F233-L252 HydrophobicContact CD1-CD1 4.41Å; F233-L252 HydrophobicContact CD2-CD1 4.27Å; F233-L252 HydrophobicContact CE1-CB 3.68Å; F233-L252 HydrophobicContact CE1-CD1 4.04Å; F233-L252 HydrophobicContact CE2-CD1 3.89Å; F233-L252 HydrophobicContact CZ-CB 3.74Å; F233-L252 HydrophobicContact CZ-CD1 3.77Å; F233-L252 HydrophobicContact CZ-CG 4.39Å | ||
| 234 | R | 97.6 | Very high | 95.9 | Very high | 214 Ų | 214 | 72 Ų | 72 | 81% | 0.808 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 155.7 | 179.2 | -65.8 | -177.2 | 178.6 | -177.7 | -0.7 | 110.1 | Y207 | Y207-R234 VanDerWaalsContact CE2-O 3.22Å; Y207-R234 WeakPolarHBondContact CE2-O 3.34Å; Y207-R234 PolarHBondContact OH-O 3.32Å |
| 235 | R | 98.1 | Very high | 96.2 | Very high | 66 Ų | 66 | 73.4 Ų | 73.4 | 25% | 0.249 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 146.4 | 166.1 | -164.8 | -167.7 | 172.5 | -75.4 | 5.6 | 108.9 | P237 Y240 E242 N245 | R235-P237 PolarHBondContact NH1-O 2.93Å; R235-P237 VanDerWaalsContact NH1-O 3.16Å; R235-Y240 PolarHBondContact NH2-O 3.28Å; R235-E242 IonicContact CZ-OE1 3.32Å; R235-E242 VanDerWaalsContact CZ-OE1 3.31Å; R235-E242 IonicContact CZ-OE2 3.48Å; R235-E242 IonicContact NE-OE1 3.97Å; R235-E242 PolarHBondContact NE-OE1 3.49Å; R235-E242 VanDerWaalsContact NE-OE1 3.16Å; R235-E242 IonicContact NE-OE2 2.73Å; R235-E242 IonicContact NH2-OE1 2.71Å; R235-E242 PolarHBondContact NH2-OE1 2.84Å; R235-E242 IonicContact NH2-OE2 3.17Å; R235-E242 PolarHBondContact NH2-OE2 3.26Å; R235-N245 VanDerWaalsContact CG-OD1 3.23Å; R235-N245 WeakPolarHBondContact CG-OD1 3.3Å |
| 236 | I | 98.5 | Very high | 96.6 | Very high | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 159.5 | 165.4 | 63 | 176.8 | 0 | 0 | 0 | 110.3 | Y207 C210 Y240 L244 N245 L248 | Y207-I236 HydrophobicContact CD2-CG2 3.53Å; Y207-I236 HydrophobicContact CE2-CG2 3.63Å; Y207-I236 HydrophobicContact CG-CG2 4.27Å; C210-I236 HydrophobicContact CB-CB 3.98Å; C210-I236 HydrophobicContact CB-CD1 4.49Å; C210-I236 HydrophobicContact CB-CG2 3.77Å; I236-Y240 HydrophobicContact CB-CD2 4.27Å; I236-Y240 HydrophobicContact CD1-CD2 4.12Å; I236-Y240 HydrophobicContact CD1-CG 4.11Å; I236-Y240 HydrophobicContact CG1-CD2 4.27Å; I236-L244 HydrophobicContact CD1-CD2 4.36Å; I236-L244 HydrophobicContact CD1-CG 4.05Å; I236-N245 HydrophobicContact CD1-CB 3.8Å; I236-N245 HydrophobicContact CG1-CB 3.86Å; I236-L248 HydrophobicContact CD1-CD1 4.2Å; I236-L248 HydrophobicContact CG2-CD1 3.87Å |
| 237 | P | 98.4 | Very high | 96.8 | Very high | 29 Ų | 29 | 71.6 Ų | 71.6 | 19% | 0.188 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -51.3 | 143.5 | 178.2 | -29.5 | 35.7 | 0 | 0 | 0 | 113.8 | Y107 R235 R239 Y240 | Y107-P237 HydrophobicContact CD1-CG 4.39Å; Y107-P237 HydrophobicContact CE1-CG 3.77Å; R235-P237 PolarHBondContact NH1-O 2.93Å; R235-P237 VanDerWaalsContact NH1-O 3.16Å; P237-R239 HydrophobicContact CB-CG 4.14Å; P237-R239 PolarHBondContact O-N 2.78Å; P237-Y240 HydrophobicContact CB-CD2 3.99Å; P237-Y240 HydrophobicContact CB-CE2 3.89Å; P237-Y240 HydrophobicContact CG-CD2 4.32Å; P237-Y240 HydrophobicContact CG-CE2 3.91Å; P237-Y240 VanDerWaalsContact O-CD2 3.27Å; P237-Y240 WeakPolarHBondContact O-CD2 3.4Å; P237-Y240 PolarHBondContact O-N 3.06Å; P237-Y240 VanDerWaalsContact O-N 3.12Å |
| 238 | F | 97.9 | Very high | 97 | Very high | 171 Ų | 171 | 68.3 Ų | 68.3 | 75% | 0.75 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -9.2 | -176.1 | -71.7 | -75.8 | 0 | 0 | 0 | 115.5 | Y240 | F238-Y240 PolarHBondContact O-N 3.07Š|
| 239 | R | 97.7 | Very high | 97.1 | Very high | 124 Ų | 124 | 69.7 Ų | 69.7 | 47% | 0.468 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -15 | 172.5 | 69.8 | -170.3 | -65.5 | -93.9 | 4.4 | 113.9 | Y107 L108 P237 | Y107-R239 VanDerWaalsContact CB-CZ 3.44Å; L108-R239 PolarHBondContact O-NH1 3.33Å; P237-R239 HydrophobicContact CB-CG 4.14Å; P237-R239 PolarHBondContact O-N 2.78Å |
| 240 | Y | 98.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -98.3 | 145.5 | 177.5 | -55.9 | -69 | 0 | 0 | 0 | 110.8 | L108 E110 I113 C210 R235 I236 P237 F238 L244 | L108-Y240 WeakPolarHBondContact O-CE1 3.35Å; L108-Y240 PolarHBondContact O-OH 3.36Å; E110-Y240 HydrophobicContact CB-CD1 4.08Å; E110-Y240 HydrophobicContact CG-CD1 4.37Å; E110-Y240 VanDerWaalsContact OE2-CA 3.24Å; E110-Y240 WeakPolarHBondContact OE2-CA 3.37Å; I113-Y240 HydrophobicContact CD1-CD1 4.27Å; I113-Y240 HydrophobicContact CD1-CE1 3.51Å; C210-Y240 WeakPolarHBondContact CA-OH 3.44Å; C210-Y240 HydrophobicContact CB-CD2 3.96Å; C210-Y240 HydrophobicContact CB-CE2 3.63Å; C210-Y240 WeakPolarHBondContact O-CE2 3.4Å; C210-Y240 PolarHBondContact O-OH 3.24Å; R235-Y240 PolarHBondContact NH2-O 3.28Å; I236-Y240 HydrophobicContact CB-CD2 4.27Å; I236-Y240 HydrophobicContact CD1-CD2 4.12Å; I236-Y240 HydrophobicContact CD1-CG 4.11Å; I236-Y240 HydrophobicContact CG1-CD2 4.27Å; P237-Y240 HydrophobicContact CB-CD2 3.99Å; P237-Y240 HydrophobicContact CB-CE2 3.89Å; P237-Y240 HydrophobicContact CG-CD2 4.32Å; P237-Y240 HydrophobicContact CG-CE2 3.91Å; P237-Y240 VanDerWaalsContact O-CD2 3.27Å; P237-Y240 WeakPolarHBondContact O-CD2 3.4Å; P237-Y240 PolarHBondContact O-N 3.06Å; P237-Y240 VanDerWaalsContact O-N 3.12Å; F238-Y240 PolarHBondContact O-N 3.07Å; Y240-L244 HydrophobicContact CD1-CD2 4.33Å; Y240-L244 HydrophobicContact CG-CD2 4.48Å |
| 241 | S | 97.9 | Very high | 97.6 | Very high | 29 Ų | 29 | 63.8 Ų | 63.8 | 20% | 0.203 | 30% | 0.299 | C | S | . | . | trans | -54.9 | 151.7 | -179.5 | 66.7 | 0 | 0 | 0 | 0 | 113.4 | E110 E243 L244 N245 | E110-S241 VanDerWaalsContact OE1-CB 3.23Å; E110-S241 WeakPolarHBondContact OE1-CB 3.44Å; E110-S241 PolarHBondContact OE1-OG 3.04Å; E110-S241 PolarHBondContact OE2-N 3.5Å; S241-E243 WeakPolarHBondContact CB-OE2 3.34Å; S241-E243 PolarHBondContact O-N 3.09Å; S241-L244 PolarHBondContact O-N 3.11Å; S241-L244 VanDerWaalsContact OG-CB 3.3Å; S241-L244 WeakPolarHBondContact OG-CB 3.46Å; S241-L244 PolarHBondContact OG-N 2.8Å; S241-N245 PolarHBondContact O-N 3.02Å | ||
| 242 | E | 97.6 | Very high | 97.8 | Very high | 103 Ų | 103 | 63.1 Ų | 63.1 | 48% | 0.481 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.1 | -30.4 | 174.2 | -74.9 | -59.1 | 156.7 | 0 | 0 | 111.2 | R235 N245 A246 | R235-E242 IonicContact CZ-OE1 3.32Å; R235-E242 VanDerWaalsContact CZ-OE1 3.31Å; R235-E242 IonicContact CZ-OE2 3.48Å; R235-E242 IonicContact NE-OE1 3.97Å; R235-E242 PolarHBondContact NE-OE1 3.49Å; R235-E242 VanDerWaalsContact NE-OE1 3.16Å; R235-E242 IonicContact NE-OE2 2.73Å; R235-E242 IonicContact NH2-OE1 2.71Å; R235-E242 PolarHBondContact NH2-OE1 2.84Å; R235-E242 IonicContact NH2-OE2 3.17Å; R235-E242 PolarHBondContact NH2-OE2 3.26Å; E242-N245 PolarHBondContact O-N 3.41Å; E242-N245 PolarHBondContact OE2-ND2 2.86Å; E242-A246 VanDerWaalsContact O-CB 3.23Å; E242-A246 WeakPolarHBondContact O-CB 3.5Å; E242-A246 PolarHBondContact O-N 3.4Å |
| 243 | E | 96.8 | Very high | 97.9 | Very high | 121 Ų | 121 | 57.9 Ų | 57.9 | 57% | 0.565 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.1 | -46.8 | 175.9 | -66.5 | 76.3 | -170.9 | 0 | 0 | 111.4 | S241 A246 L247 L270 | S241-E243 WeakPolarHBondContact CB-OE2 3.34Å; S241-E243 PolarHBondContact O-N 3.09Å; E243-A246 PolarHBondContact O-N 2.65Å; E243-L247 WeakPolarHBondContact O-CB 3.03Å; E243-L247 PolarHBondContact O-N 3.02Å; E243-L270 HydrophobicContact CB-CD1 4.18Å |
| 244 | L | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.8 | -47.4 | 175.4 | 176.7 | 54.8 | 0 | 0 | 0 | 111.1 | E110 I113 L114 M117 I236 Y240 S241 A246 L247 L248 L270 | E110-L244 HydrophobicContact CG-CD2 3.92Å; I113-L244 HydrophobicContact CG2-CD2 4.41Å; L114-L244 HydrophobicContact CD2-CD1 4.17Å; M117-L244 HydrophobicContact CE-CD1 3.29Å; I236-L244 HydrophobicContact CD1-CD2 4.36Å; I236-L244 HydrophobicContact CD1-CG 4.05Å; Y240-L244 HydrophobicContact CD1-CD2 4.33Å; Y240-L244 HydrophobicContact CG-CD2 4.48Å; S241-L244 PolarHBondContact O-N 3.11Å; S241-L244 VanDerWaalsContact OG-CB 3.3Å; S241-L244 WeakPolarHBondContact OG-CB 3.46Å; S241-L244 PolarHBondContact OG-N 2.8Å; L244-A246 VanDerWaalsContact C-N 3.33Å; L244-A246 PolarHBondContact O-N 3.11Å; L244-L247 PolarHBondContact O-N 3.34Å; L244-L248 HydrophobicContact CD1-CD1 4.27Å; L244-L248 HydrophobicContact CD1-CG 4.15Å; L244-L248 HydrophobicContact CG-CD1 4.39Å; L244-L248 WeakPolarHBondContact O-CG 3.49Å; L244-L248 PolarHBondContact O-N 2.98Å; L244-L270 HydrophobicContact CB-CD2 4Å; L244-L270 HydrophobicContact CD1-CD2 4.18Å |
| 245 | N | 98.3 | Very high | 97.8 | Very high | 33 Ų | 33 | 53.3 Ų | 53.3 | 18% | 0.176 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 177.8 | 178.2 | 62.1 | 0 | 0 | 0 | 112 | R235 I236 S241 E242 L248 G249 | R235-N245 VanDerWaalsContact CG-OD1 3.23Å; R235-N245 WeakPolarHBondContact CG-OD1 3.3Å; I236-N245 HydrophobicContact CD1-CB 3.8Å; I236-N245 HydrophobicContact CG1-CB 3.86Å; S241-N245 PolarHBondContact O-N 3.02Å; E242-N245 PolarHBondContact O-N 3.41Å; E242-N245 PolarHBondContact OE2-ND2 2.86Å; N245-L248 PolarHBondContact O-N 3.35Å; N245-G249 PolarHBondContact O-N 3.38Å |
| 246 | A | 97.8 | Very high | 97.6 | Very high | 53 Ų | 53 | 52.4 Ų | 52.4 | 44% | 0.438 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E242 E243 L244 G249 R250 | E242-A246 VanDerWaalsContact O-CB 3.23Å; E242-A246 WeakPolarHBondContact O-CB 3.5Å; E242-A246 PolarHBondContact O-N 3.4Å; E243-A246 PolarHBondContact O-N 2.65Å; L244-A246 VanDerWaalsContact C-N 3.33Å; L244-A246 PolarHBondContact O-N 3.11Å; A246-G249 PolarHBondContact O-N 3.37Å; A246-R250 WeakPolarHBondContact O-CG 3.42Å; A246-R250 PolarHBondContact O-N 3.35Å |
| 247 | L | 97.9 | Very high | 97.4 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.016 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.4 | -45.7 | 175.3 | 178.9 | 58.2 | 0 | 0 | 0 | 111.6 | M117 E243 L244 G249 R250 M251 P260 I265 L270 | M117-L247 HydrophobicContact CE-CD2 4.22Å; M117-L247 HydrophobicContact SD-CD2 3.51Å; M117-L247 VanDerWaalsContact SD-CD2 3.51Å; E243-L247 WeakPolarHBondContact O-CB 3.03Å; E243-L247 PolarHBondContact O-N 3.02Å; L244-L247 PolarHBondContact O-N 3.34Å; L247-G249 VanDerWaalsContact C-N 3.28Å; L247-G249 PolarHBondContact O-N 3.01Å; L247-R250 PolarHBondContact O-N 3.48Å; L247-R250 VanDerWaalsContact O-N 3.1Å; L247-M251 HydrophobicContact CG-SD 4.36Å; L247-M251 WeakPolarHBondContact O-CG 3.33Å; L247-M251 PolarHBondContact O-N 3.1Å; L247-P260 HydrophobicContact CD1-CG 4.29Å; L247-I265 HydrophobicContact CD1-CG1 4.44Å; L247-L270 HydrophobicContact CD2-CD2 4.27Å |
| 248 | L | 98.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.8 | -39.3 | 174.6 | -66.4 | 180 | 0 | 0 | 0 | 111.8 | L206 I236 L244 N245 R250 M251 L252 | L206-L248 HydrophobicContact CB-CD2 3.5Å; L206-L248 HydrophobicContact CD1-CD2 4.13Å; L206-L248 HydrophobicContact CG-CD2 4.49Å; I236-L248 HydrophobicContact CD1-CD1 4.2Å; I236-L248 HydrophobicContact CG2-CD1 3.87Å; L244-L248 HydrophobicContact CD1-CD1 4.27Å; L244-L248 HydrophobicContact CD1-CG 4.15Å; L244-L248 HydrophobicContact CG-CD1 4.39Å; L244-L248 WeakPolarHBondContact O-CG 3.49Å; L244-L248 PolarHBondContact O-N 2.98Å; N245-L248 PolarHBondContact O-N 3.35Å; L248-R250 VanDerWaalsContact C-N 3.3Å; L248-R250 PolarHBondContact O-N 2.85Å; L248-M251 HydrophobicContact CD2-SD 4.25Å; L248-M251 PolarHBondContact O-N 3.13Å; L248-L252 WeakPolarHBondContact O-CB 3.45Å; L248-L252 WeakPolarHBondContact O-CG 3.4Å; L248-L252 PolarHBondContact O-N 3.24Å |
| 249 | G | 98 | Very high | 97.3 | Very high | 30 Ų | 30 | 54.2 Ų | 54.2 | 31% | 0.309 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -56.7 | -40.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N245 A246 L247 | N245-G249 PolarHBondContact O-N 3.38Å; A246-G249 PolarHBondContact O-N 3.37Å; L247-G249 VanDerWaalsContact C-N 3.28Å; L247-G249 PolarHBondContact O-N 3.01Å |
| 250 | R | 98.1 | Very high | 97.3 | Very high | 117 Ų | 117 | 48.8 Ų | 48.8 | 44% | 0.442 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -71.5 | -38 | 175.3 | -69.3 | -173.5 | -69.1 | 150.4 | -5.2 | 112.8 | A246 L247 L248 L252 N253 | A246-R250 WeakPolarHBondContact O-CG 3.42Å; A246-R250 PolarHBondContact O-N 3.35Å; L247-R250 PolarHBondContact O-N 3.48Å; L247-R250 VanDerWaalsContact O-N 3.1Å; L248-R250 VanDerWaalsContact C-N 3.3Å; L248-R250 PolarHBondContact O-N 2.85Å; R250-L252 VanDerWaalsContact C-N 3.32Å; R250-N253 WeakPolarHBondContact O-CB 3.49Å; R250-N253 PolarHBondContact O-N 3.04Å |
| 251 | M | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66 | -35.7 | 177 | -66.6 | 176.5 | 75.9 | 0 | 0 | 112.3 | I199 L202 L206 L247 L248 N253 R259 P260 I265 | I199-M251 HydrophobicContact CG2-CB 4.15Å; I199-M251 HydrophobicContact CG2-CE 4.01Å; I199-M251 HydrophobicContact CG2-CG 3.99Å; I199-M251 WeakPolarHBondContact O-CE 3.27Å; L202-M251 HydrophobicContact CB-CE 3.83Å; L202-M251 HydrophobicContact CD2-CE 3.7Å; L202-M251 HydrophobicContact CG-CE 3.62Å; L206-M251 HydrophobicContact CD1-CE 3.98Å; L206-M251 HydrophobicContact CD1-SD 4.15Å; L247-M251 HydrophobicContact CG-SD 4.36Å; L247-M251 WeakPolarHBondContact O-CG 3.33Å; L247-M251 PolarHBondContact O-N 3.1Å; L248-M251 HydrophobicContact CD2-SD 4.25Å; L248-M251 PolarHBondContact O-N 3.13Å; M251-N253 VanDerWaalsContact C-N 3.27Å; M251-N253 PolarHBondContact O-N 2.94Å; M251-R259 WeakPolarHBondContact O-CD 3.08Å; M251-P260 HydrophobicContact CG-CG 3.97Å; M251-I265 HydrophobicContact CE-CD1 4.07Å; M251-I265 HydrophobicContact CG-CD1 4.5Å; M251-I265 HydrophobicContact SD-CD1 4.38Å |
| 252 | L | 98.2 | Very high | 97 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 26.8 | 178.2 | -63.4 | 177.5 | 0 | 0 | 0 | 113.1 | W200 C204 Y207 P215 F233 L248 R250 | W200-L252 HydrophobicContact CD2-CD2 4.13Å; W200-L252 HydrophobicContact CE3-CD2 4.35Å; W200-L252 VanDerWaalsContact CZ3-C 3.46Å; W200-L252 HydrophobicContact CZ3-CB 4.46Å; W200-L252 VanDerWaalsContact CZ3-O 3.24Å; W200-L252 WeakPolarHBondContact CZ3-O 3.18Å; C204-L252 VanDerWaalsContact SG-CD2 3.57Å; Y207-L252 HydrophobicContact CD2-CD1 4.37Å; P215-L252 HydrophobicContact CB-CD1 4.06Å; P215-L252 HydrophobicContact CG-CD1 4.12Å; F233-L252 HydrophobicContact CD1-CD1 4.41Å; F233-L252 HydrophobicContact CD2-CD1 4.27Å; F233-L252 HydrophobicContact CE1-CB 3.68Å; F233-L252 HydrophobicContact CE1-CD1 4.04Å; F233-L252 HydrophobicContact CE2-CD1 3.89Å; F233-L252 HydrophobicContact CZ-CB 3.74Å; F233-L252 HydrophobicContact CZ-CD1 3.77Å; F233-L252 HydrophobicContact CZ-CG 4.39Å; L248-L252 WeakPolarHBondContact O-CB 3.45Å; L248-L252 WeakPolarHBondContact O-CG 3.4Å; L248-L252 PolarHBondContact O-N 3.24Å; R250-L252 VanDerWaalsContact C-N 3.32Å |
| 253 | N | 98 | Very high | 96.7 | Very high | 51 Ų | 51 | 48.3 Ų | 48.3 | 27% | 0.273 | 25% | 0.245 | S | C | . | . | trans | -73.8 | 136.3 | 174.5 | -162.1 | -68.9 | 0 | 0 | 0 | 110.9 | W200 R250 M251 K255 L258 R259 | W200-N253 WeakPolarHBondContact CZ3-O 3.39Å; R250-N253 WeakPolarHBondContact O-CB 3.49Å; R250-N253 PolarHBondContact O-N 3.04Å; M251-N253 VanDerWaalsContact C-N 3.27Å; M251-N253 PolarHBondContact O-N 2.94Å; N253-K255 PolarHBondContact O-N 2.85Å; N253-K255 PolarHBondContact OD1-N 2.93Å; N253-L258 HydrophobicContact CB-CB 4.24Å; N253-R259 HydrophobicContact CB-CG 4.2Å; N253-R259 PolarHBondContact O-NE 2.78Å; N253-R259 PolarHBondContact O-NH2 3.25Å | ||
| 254 | L | 96 | Very high | 96.6 | Very high | 70 Ų | 70 | 44.9 Ų | 44.9 | 37% | 0.366 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -56.1 | -39 | 177.2 | -69.3 | 178.3 | 0 | 0 | 0 | 112.3 | P185 W200 I228 R229 R259 | P185-L254 HydrophobicContact CG-CD2 3.91Å; W200-L254 HydrophobicContact CH2-CD2 4.43Å; I228-L254 WeakPolarHBondContact O-CD2 3.44Å; R229-L254 WeakPolarHBondContact O-CD1 3.42Å; L254-R259 PolarHBondContact O-NH2 2.84Å |
| 255 | K | 94.8 | Very high | 96.5 | Very high | 109 Ų | 109 | 44.9 Ų | 44.9 | 47% | 0.474 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -86.3 | 115.1 | 179.7 | -63.7 | 168.6 | 162 | -155.6 | 0 | 109.2 | N253 Y257 L258 R259 | N253-K255 PolarHBondContact O-N 2.85Å; N253-K255 PolarHBondContact OD1-N 2.93Å; K255-Y257 VanDerWaalsContact C-N 3.29Å; K255-Y257 HydrophobicContact CB-CD1 4.22Å; K255-Y257 HydrophobicContact CB-CD2 4.49Å; K255-Y257 HydrophobicContact CB-CE1 3.82Å; K255-Y257 HydrophobicContact CB-CE2 4.1Å; K255-Y257 HydrophobicContact CD-CE1 4.36Å; K255-Y257 HydrophobicContact CD-CE2 4.07Å; K255-Y257 WeakPolarHBondContact CD-OH 3.45Å; K255-Y257 VanDerWaalsContact CE-OH 3.27Å; K255-Y257 WeakPolarHBondContact CE-OH 3.04Å; K255-Y257 HydrophobicContact CG-CE1 4.14Å; K255-Y257 PolarHBondContact NZ-OH 2.92Å; K255-Y257 PolarHBondContact O-N 3.47Å; K255-L258 HydrophobicContact CB-CB 4.25Å; K255-L258 HydrophobicContact CB-CD1 3.93Å; K255-L258 HydrophobicContact CB-CG 3.92Å; K255-L258 HydrophobicContact CD-CD1 3.66Å; K255-L258 HydrophobicContact CD-CG 4.33Å; K255-L258 HydrophobicContact CG-CD1 4.37Å; K255-L258 WeakPolarHBondContact O-CB 3.21Å; K255-L258 PolarHBondContact O-N 2.99Å; K255-R259 PolarHBondContact O-N 3.09Å |
| 256 | D | 94.4 | Very high | 96.3 | Very high | 47 Ų | 47 | 44.2 Ų | 44.2 | 25% | 0.251 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -56.5 | -38.2 | -179.3 | 65.4 | -17.9 | 0 | 0 | 0 | 113.8 | N194 K196 L258 R259 | N194-D256 PolarHBondContact ND2-OD2 3.39Å; K196-D256 HydrophobicContact CB-CB 3.88Å; K196-D256 HydrophobicContact CG-CB 4.49Å; K196-D256 WeakPolarHBondContact CG-O 3.29Å; K196-D256 PolarHBondContact NZ-O 2.93Å; D256-L258 PolarHBondContact O-N 3.25Å; D256-R259 WeakPolarHBondContact O-CB 3.22Å; D256-R259 PolarHBondContact O-N 3.03Å; D256-R259 VanDerWaalsContact O-N 3.1Å |
| 257 | Y | 94.2 | Very high | 96 | Very high | 144 Ų | 144 | 49.3 Ų | 49.3 | 57% | 0.565 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -68 | -21.1 | 176.7 | 57.5 | -96.6 | 0 | 0 | 0 | 113.8 | K255 | K255-Y257 VanDerWaalsContact C-N 3.29Å; K255-Y257 HydrophobicContact CB-CD1 4.22Å; K255-Y257 HydrophobicContact CB-CD2 4.49Å; K255-Y257 HydrophobicContact CB-CE1 3.82Å; K255-Y257 HydrophobicContact CB-CE2 4.1Å; K255-Y257 HydrophobicContact CD-CE1 4.36Å; K255-Y257 HydrophobicContact CD-CE2 4.07Å; K255-Y257 WeakPolarHBondContact CD-OH 3.45Å; K255-Y257 VanDerWaalsContact CE-OH 3.27Å; K255-Y257 WeakPolarHBondContact CE-OH 3.04Å; K255-Y257 HydrophobicContact CG-CE1 4.14Å; K255-Y257 PolarHBondContact NZ-OH 2.92Å; K255-Y257 PolarHBondContact O-N 3.47Å |
| 258 | L | 96.6 | Very high | 95.7 | Very high | 91 Ų | 91 | 50 Ų | 50 | 48% | 0.476 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -84.9 | -13.3 | 173.3 | -64 | -176.9 | 0 | 0 | 0 | 112.8 | N253 K255 D256 | N253-L258 HydrophobicContact CB-CB 4.24Å; K255-L258 HydrophobicContact CB-CB 4.25Å; K255-L258 HydrophobicContact CB-CD1 3.93Å; K255-L258 HydrophobicContact CB-CG 3.92Å; K255-L258 HydrophobicContact CD-CD1 3.66Å; K255-L258 HydrophobicContact CD-CG 4.33Å; K255-L258 HydrophobicContact CG-CD1 4.37Å; K255-L258 WeakPolarHBondContact O-CB 3.21Å; K255-L258 PolarHBondContact O-N 2.99Å; D256-L258 PolarHBondContact O-N 3.25Å |
| 259 | R | 98 | Very high | 95.4 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.015 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -71.1 | 137.1 | 174.6 | -55.5 | 177.7 | -161.3 | 147.2 | 8.9 | 109.2 | E186 K196 I199 M251 N253 L254 K255 D256 | E186-R259 IonicContact OE1-CZ 3.44Å; E186-R259 IonicContact OE1-NH1 2.74Å; E186-R259 PolarHBondContact OE1-NH1 3.15Å; E186-R259 IonicContact OE1-NH2 3.5Å; E186-R259 IonicContact OE2-CZ 3.7Å; E186-R259 IonicContact OE2-NH1 2.82Å; E186-R259 PolarHBondContact OE2-NH1 3.31Å; E186-R259 IonicContact OE2-NH2 3.33Å; E186-R259 PolarHBondContact OE2-NH2 3.4Å; K196-R259 HydrophobicContact CD-CB 4.46Å; K196-R259 PolarHBondContact NZ-O 3.22Å; K196-R259 WeakPolarHBondContact O-CD 3.4Å; K196-R259 PolarHBondContact O-NH1 3.35Å; I199-R259 HydrophobicContact CG2-CB 4.12Å; M251-R259 WeakPolarHBondContact O-CD 3.08Å; N253-R259 HydrophobicContact CB-CG 4.2Å; N253-R259 PolarHBondContact O-NE 2.78Å; N253-R259 PolarHBondContact O-NH2 3.25Å; L254-R259 PolarHBondContact O-NH2 2.84Å; K255-R259 PolarHBondContact O-N 3.09Å; D256-R259 WeakPolarHBondContact O-CB 3.22Å; D256-R259 PolarHBondContact O-N 3.03Å; D256-R259 VanDerWaalsContact O-N 3.1Å |
| 260 | P | 97.3 | Very high | 95 | Very high | 10 Ų | 10 | 55.2 Ų | 55.2 | 7% | 0.065 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 146.7 | 179.9 | 28.9 | -34.8 | 0 | 0 | 0 | 110.3 | L247 M251 I265 | L247-P260 HydrophobicContact CD1-CG 4.29Å; M251-P260 HydrophobicContact CG-CG 3.97Å; P260-I265 HydrophobicContact CB-CG1 3.91Å; P260-I265 HydrophobicContact CG-CD1 4.07Å; P260-I265 HydrophobicContact CG-CG1 3.74Å |
| 261 | S | 95.3 | Very high | 94.6 | Very high | 41 Ų | 41 | 49.6 Ų | 49.6 | 29% | 0.287 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 166.9 | 169.8 | 80.6 | 0 | 0 | 0 | 0 | 110.7 | E263 S264 I265 | S261-E263 VanDerWaalsContact CB-OE2 3.32Å; S261-E263 WeakPolarHBondContact CB-OE2 3.09Å; S261-E263 PolarHBondContact O-N 3.31Å; S261-E263 PolarHBondContact OG-N 2.96Å; S261-E263 PolarHBondContact OG-OE2 2.9Å; S261-S264 PolarHBondContact O-N 2.81Å; S261-S264 VanDerWaalsContact O-N 3.15Å; S261-S264 PolarHBondContact OG-N 3.16Å; S261-I265 WeakPolarHBondContact O-CG1 3.27Å; S261-I265 PolarHBondContact O-N 3.3Å |
| 262 | V | 94.4 | Very high | 93.9 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.03 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -54.7 | -42.6 | 173.3 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | T121 L124 K125 I199 I265 L266 | T121-V262 HydrophobicContact CG2-CB 4.35Å; T121-V262 HydrophobicContact CG2-CG1 3.67Å; T121-V262 WeakPolarHBondContact O-CG1 3.26Å; L124-V262 HydrophobicContact CB-CG2 4.28Å; K125-V262 HydrophobicContact CB-CG1 3.48Å; K125-V262 VanDerWaalsContact CB-CG1 3.48Å; K125-V262 HydrophobicContact CD-CG1 4.48Å; K125-V262 HydrophobicContact CG-CG1 3.89Å; I199-V262 HydrophobicContact CD1-CG2 3.89Å; V262-I265 PolarHBondContact O-N 3.05Å; V262-L266 HydrophobicContact CG1-CD1 4.07Å; V262-L266 VanDerWaalsContact O-CG 3.31Å; V262-L266 WeakPolarHBondContact O-CG 3.45Å; V262-L266 PolarHBondContact O-N 3.06Å; V262-L266 VanDerWaalsContact O-N 3.08Å |
| 263 | E | 93.1 | Very high | 93.1 | Very high | 81 Ų | 81 | 58.2 Ų | 58.2 | 38% | 0.379 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.8 | -45.6 | 177.1 | -60.8 | 68.7 | -148.4 | 0 | 0 | 111.3 | S261 I265 L266 Q267 | S261-E263 VanDerWaalsContact CB-OE2 3.32Å; S261-E263 WeakPolarHBondContact CB-OE2 3.09Å; S261-E263 PolarHBondContact O-N 3.31Å; S261-E263 PolarHBondContact OG-N 2.96Å; S261-E263 PolarHBondContact OG-OE2 2.9Å; E263-I265 VanDerWaalsContact C-N 3.31Å; E263-I265 PolarHBondContact O-N 3.18Å; E263-L266 PolarHBondContact O-N 2.56Å; E263-Q267 WeakPolarHBondContact O-CB 3.16Å; E263-Q267 VanDerWaalsContact O-CG 3.28Å; E263-Q267 WeakPolarHBondContact O-CG 3.39Å; E263-Q267 PolarHBondContact O-N 3.2Å |
| 264 | S | 94.6 | Very high | 92.5 | Very high | 49 Ų | 49 | 56.2 Ų | 56.2 | 34% | 0.343 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 179.6 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | S261 S268 | S261-S264 PolarHBondContact O-N 2.81Å; S261-S264 VanDerWaalsContact O-N 3.15Å; S261-S264 PolarHBondContact OG-N 3.16Å; S264-S268 PolarHBondContact O-N 2.72Å |
| 265 | I | 95.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.2 | -49 | 175.1 | -65.2 | 167.5 | 0 | 0 | 0 | 110.1 | M117 T121 I199 L247 M251 P260 S261 V262 E263 Q267 S268 L271 | M117-I265 HydrophobicContact CG-CG2 4.47Å; M117-I265 HydrophobicContact SD-CG2 4.37Å; T121-I265 HydrophobicContact CG2-CB 3.98Å; T121-I265 HydrophobicContact CG2-CG2 3.85Å; I199-I265 HydrophobicContact CD1-CD1 3.93Å; I199-I265 HydrophobicContact CG2-CD1 4.22Å; L247-I265 HydrophobicContact CD1-CG1 4.44Å; M251-I265 HydrophobicContact CE-CD1 4.07Å; M251-I265 HydrophobicContact CG-CD1 4.5Å; M251-I265 HydrophobicContact SD-CD1 4.38Å; P260-I265 HydrophobicContact CB-CG1 3.91Å; P260-I265 HydrophobicContact CG-CD1 4.07Å; P260-I265 HydrophobicContact CG-CG1 3.74Å; S261-I265 WeakPolarHBondContact O-CG1 3.27Å; S261-I265 PolarHBondContact O-N 3.3Å; V262-I265 PolarHBondContact O-N 3.05Å; E263-I265 VanDerWaalsContact C-N 3.31Å; E263-I265 PolarHBondContact O-N 3.18Å; I265-Q267 PolarHBondContact O-N 3.31Å; I265-S268 VanDerWaalsContact O-CB 3.26Å; I265-S268 WeakPolarHBondContact O-CB 3.5Å; I265-S268 PolarHBondContact O-N 3.05Å; I265-S268 PolarHBondContact O-OG 3.49Å; I265-L271 HydrophobicContact CG2-CD1 3.63Å |
| 266 | L | 93.3 | Very high | 91.4 | Very high | 18 Ų | 18 | 49.9 Ų | 49.9 | 9% | 0.094 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.1 | -25.8 | -178.6 | -67.3 | 170.8 | 0 | 0 | 0 | 113.6 | T121 L122 K125 V262 E263 S268 V275 | T121-L266 HydrophobicContact CG2-CD1 4.18Å; T121-L266 HydrophobicContact CG2-CD2 3.71Å; T121-L266 HydrophobicContact CG2-CG 3.59Å; L122-L266 HydrophobicContact CD2-CD1 4.01Å; L122-L266 HydrophobicContact CD2-CD2 4.06Å; L122-L266 HydrophobicContact CG-CD2 3.97Å; K125-L266 HydrophobicContact CD-CD1 3.87Å; V262-L266 HydrophobicContact CG1-CD1 4.07Å; V262-L266 VanDerWaalsContact O-CG 3.31Å; V262-L266 WeakPolarHBondContact O-CG 3.45Å; V262-L266 PolarHBondContact O-N 3.06Å; V262-L266 VanDerWaalsContact O-N 3.08Å; E263-L266 PolarHBondContact O-N 2.56Å; L266-S268 VanDerWaalsContact C-N 3.32Å; L266-V275 HydrophobicContact CD2-CG2 3.64Å |
| 267 | Q | 91.7 | Very high | 90.9 | Very high | 160 Ų | 160 | 51.4 Ų | 51.4 | 75% | 0.748 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -3.6 | 175.9 | -71.5 | 171.5 | -11.2 | 0 | 0 | 113.4 | E263 I265 | E263-Q267 WeakPolarHBondContact O-CB 3.16Å; E263-Q267 VanDerWaalsContact O-CG 3.28Å; E263-Q267 WeakPolarHBondContact O-CG 3.39Å; E263-Q267 PolarHBondContact O-N 3.2Å; I265-Q267 PolarHBondContact O-N 3.31Å |
| 268 | S | 92.4 | Very high | 90.4 | Very high | 18 Ų | 18 | 45 Ų | 45 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -64.5 | 140.3 | 177.2 | 69.1 | 0 | 0 | 0 | 0 | 111.1 | S264 I265 L266 L270 L271 S272 | S264-S268 PolarHBondContact O-N 2.72Å; I265-S268 VanDerWaalsContact O-CB 3.26Å; I265-S268 WeakPolarHBondContact O-CB 3.5Å; I265-S268 PolarHBondContact O-N 3.05Å; I265-S268 PolarHBondContact O-OG 3.49Å; L266-S268 VanDerWaalsContact C-N 3.32Å; S268-L270 PolarHBondContact O-N 3.1Å; S268-L270 VanDerWaalsContact O-N 3.15Å; S268-L271 PolarHBondContact O-N 3.43Å; S268-S272 PolarHBondContact O-N 3.5Å |
| 269 | S | 90.7 | Very high | 89.7 | Confident | 105 Ų | 105 | 45.2 Ų | 45.2 | 73% | 0.734 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -28.1 | 175.6 | 50.6 | 0 | 0 | 0 | 0 | 112.7 | L271 S272 | S269-L271 VanDerWaalsContact C-N 3.25Å; S269-L271 PolarHBondContact O-N 3.31Å; S269-S272 PolarHBondContact O-OG 2.85Å |
| 270 | L | 90.7 | Very high | 89 | Confident | 35 Ų | 35 | 52.4 Ų | 52.4 | 18% | 0.183 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -29.7 | 176.5 | -170.9 | 66.6 | 0 | 0 | 0 | 112.8 | L114 E243 L244 L247 S268 | L114-L270 HydrophobicContact CD1-CD1 3.87Å; L114-L270 HydrophobicContact CD1-CG 4.07Å; L114-L270 HydrophobicContact CD2-CD1 4.08Å; L114-L270 HydrophobicContact CD2-CD2 3.6Å; L114-L270 HydrophobicContact CD2-CG 3.6Å; L114-L270 HydrophobicContact CG-CG 4.48Å; E243-L270 HydrophobicContact CB-CD1 4.18Å; L244-L270 HydrophobicContact CB-CD2 4Å; L244-L270 HydrophobicContact CD1-CD2 4.18Å; L247-L270 HydrophobicContact CD2-CD2 4.27Å; S268-L270 PolarHBondContact O-N 3.1Å; S268-L270 VanDerWaalsContact O-N 3.15Å |
| 271 | L | 89.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -6.6 | -174.9 | -64 | -173.8 | 0 | 0 | 0 | 114 | L114 M117 A118 I265 S268 S269 D273 S274 V275 | L114-L271 HydrophobicContact CB-CD2 4.1Å; L114-L271 HydrophobicContact CD2-CD2 4.08Å; M117-L271 HydrophobicContact CB-CD2 4.19Å; M117-L271 HydrophobicContact CG-CD1 3.86Å; M117-L271 HydrophobicContact CG-CD2 4.26Å; M117-L271 HydrophobicContact SD-CD1 3.73Å; M117-L271 HydrophobicContact SD-CD2 3.95Å; M117-L271 HydrophobicContact SD-CG 4.15Å; A118-L271 HydrophobicContact CB-CD2 4.42Å; I265-L271 HydrophobicContact CG2-CD1 3.63Å; S268-L271 PolarHBondContact O-N 3.43Å; S269-L271 VanDerWaalsContact C-N 3.25Å; S269-L271 PolarHBondContact O-N 3.31Å; L271-D273 VanDerWaalsContact C-N 3.25Å; L271-D273 PolarHBondContact O-N 3.22Å; L271-D273 VanDerWaalsContact O-N 3.16Å; L271-S274 PolarHBondContact O-N 3.4Å; L271-V275 HydrophobicContact CB-CG2 3.99Å; L271-V275 WeakPolarHBondContact O-CB 3.43Å; L271-V275 VanDerWaalsContact O-CG2 3.26Å; L271-V275 WeakPolarHBondContact O-CG2 3.47Å; L271-V275 PolarHBondContact O-N 2.99Å |
| 272 | S | 82.9 | Confident | 87.3 | Confident | 56 Ų | 56 | 55.8 Ų | 55.8 | 39% | 0.392 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -51.4 | -45.2 | -173.9 | 56.8 | 0 | 0 | 0 | 0 | 112.6 | S268 S269 A276 | S268-S272 PolarHBondContact O-N 3.5Å; S269-S272 PolarHBondContact O-OG 2.85Å; S272-A276 VanDerWaalsContact O-CB 3.25Å; S272-A276 WeakPolarHBondContact O-CB 3.18Å; S272-A276 PolarHBondContact O-N 3.48Å |
| 273 | D | 81.8 | Confident | 86.4 | Confident | 129 Ų | 129 | 61.1 Ų | 61.1 | 69% | 0.69 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -71.5 | -46.1 | -176.8 | -64.3 | -10.7 | 0 | 0 | 0 | 111.6 | L271 V275 A276 E277 | L271-D273 VanDerWaalsContact C-N 3.25Å; L271-D273 PolarHBondContact O-N 3.22Å; L271-D273 VanDerWaalsContact O-N 3.16Å; D273-V275 PolarHBondContact O-N 3.18Å; D273-A276 PolarHBondContact O-N 3.08Å; D273-E277 WeakPolarHBondContact O-CB 3.45Å; D273-E277 PolarHBondContact O-N 3.32Å |
| 274 | S | 84.1 | Confident | 85.5 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 6% | 0.063 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 177.7 | -71.8 | 0 | 0 | 0 | 0 | 111.3 | L271 E277 E278 | L271-S274 PolarHBondContact O-N 3.4Å; S274-E277 PolarHBondContact O-N 2.57Å; S274-E278 WeakPolarHBondContact O-CG 3.42Å; S274-E278 PolarHBondContact O-N 2.78Å |
| 275 | V | 85.2 | Confident | 84.3 | Confident | 10 Ų | 10 | 62.6 Ų | 62.6 | 6% | 0.061 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.8 | -44.1 | 178.3 | 173 | 0 | 0 | 0 | 0 | 110.7 | A118 L266 L271 D273 E277 E278 Q279 | A118-V275 HydrophobicContact CB-CG2 4Å; L266-V275 HydrophobicContact CD2-CG2 3.64Å; L271-V275 HydrophobicContact CB-CG2 3.99Å; L271-V275 WeakPolarHBondContact O-CB 3.43Å; L271-V275 VanDerWaalsContact O-CG2 3.26Å; L271-V275 WeakPolarHBondContact O-CG2 3.47Å; L271-V275 PolarHBondContact O-N 2.99Å; D273-V275 PolarHBondContact O-N 3.18Å; V275-E277 VanDerWaalsContact C-N 3.32Å; V275-E277 PolarHBondContact O-N 3.3Å; V275-E278 PolarHBondContact O-N 2.75Å; V275-Q279 HydrophobicContact CG1-CG 4.36Å; V275-Q279 WeakPolarHBondContact O-CB 3.41Å; V275-Q279 VanDerWaalsContact O-CG 3.29Å; V275-Q279 WeakPolarHBondContact O-CG 3.3Å; V275-Q279 PolarHBondContact O-N 3.17Å |
| 276 | A | 84.1 | Confident | 83 | Confident | 36 Ų | 36 | 65.4 Ų | 65.4 | 30% | 0.298 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.1 | -36.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S272 D273 R280 | S272-A276 VanDerWaalsContact O-CB 3.25Å; S272-A276 WeakPolarHBondContact O-CB 3.18Å; S272-A276 PolarHBondContact O-N 3.48Å; D273-A276 PolarHBondContact O-N 3.08Å; A276-R280 WeakPolarHBondContact O-CB 3.41Å; A276-R280 WeakPolarHBondContact O-CG 3.39Å; A276-R280 PolarHBondContact O-N 3.26Å; A276-R280 VanDerWaalsContact O-N 3.15Å; A276-R280 PolarHBondContact O-NE 3.09Å |
| 277 | E | 84.3 | Confident | 81.6 | Confident | 78 Ų | 78 | 70.7 Ų | 70.7 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.6 | -47.2 | 173.7 | -164.5 | -166.3 | 148 | 0 | 0 | 111.6 | D273 S274 V275 R280 K281 | D273-E277 WeakPolarHBondContact O-CB 3.45Å; D273-E277 PolarHBondContact O-N 3.32Å; S274-E277 PolarHBondContact O-N 2.57Å; V275-E277 VanDerWaalsContact C-N 3.32Å; V275-E277 PolarHBondContact O-N 3.3Å; E277-R280 PolarHBondContact O-N 3.45Å; E277-K281 WeakPolarHBondContact O-CG 3.44Å; E277-K281 PolarHBondContact O-N 3.42Å; E277-K281 WeakPolarHBondContact OE1-CE 3.37Å; E277-K281 IonicContact OE1-NZ 2.86Å; E277-K281 PolarHBondContact OE1-NZ 3.41Å |
| 278 | E | 83.6 | Confident | 80.1 | Confident | 9 Ų | 9 | 72.9 Ų | 72.9 | 4% | 0.042 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 178.6 | -71.3 | -54.2 | 133.8 | 0 | 0 | 112 | Q119 L122 S274 V275 R280 K281 V282 | Q119-E278 HydrophobicContact CG-CG 3.83Å; Q119-E278 PolarHBondContact NE2-OE1 3.49Å; Q119-E278 PolarHBondContact NE2-OE2 2.75Å; L122-E278 HydrophobicContact CD1-CB 3.95Å; S274-E278 WeakPolarHBondContact O-CG 3.42Å; S274-E278 PolarHBondContact O-N 2.78Å; V275-E278 PolarHBondContact O-N 2.75Å; E278-R280 VanDerWaalsContact C-N 3.32Å; E278-R280 PolarHBondContact O-N 3.41Å; E278-K281 WeakPolarHBondContact O-CB 3.47Å; E278-K281 PolarHBondContact O-N 3.44Å; E278-K281 VanDerWaalsContact O-N 3.11Å; E278-K281 IonicContact OE1-NZ 3.48Å; E278-K281 PolarHBondContact OE1-NZ 3.39Å; E278-V282 WeakPolarHBondContact O-CG2 3.12Å; E278-V282 PolarHBondContact O-N 2.89Å |
| 279 | Q | 81.3 | Confident | 78.5 | Confident | 96 Ų | 96 | 79.5 Ų | 79.5 | 45% | 0.449 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.7 | -41.5 | 176.5 | -73 | 175.7 | 0 | 0 | 0 | 112.2 | V275 K281 V282 Q283 | V275-Q279 HydrophobicContact CG1-CG 4.36Å; V275-Q279 WeakPolarHBondContact O-CB 3.41Å; V275-Q279 VanDerWaalsContact O-CG 3.29Å; V275-Q279 WeakPolarHBondContact O-CG 3.3Å; V275-Q279 PolarHBondContact O-N 3.17Å; Q279-K281 PolarHBondContact O-N 2.93Å; Q279-V282 PolarHBondContact O-N 3.4Å; Q279-Q283 WeakPolarHBondContact O-CG 3.32Å; Q279-Q283 PolarHBondContact O-N 3.14Å |
| 280 | R | 82.7 | Confident | 76.7 | Confident | 156 Ų | 156 | 78.2 Ų | 78.2 | 59% | 0.589 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -61.4 | -42.5 | 174 | -79.2 | 178.4 | -77.6 | 160.2 | -7 | 112 | A276 E277 E278 V282 Q283 A284 | A276-R280 WeakPolarHBondContact O-CB 3.41Å; A276-R280 WeakPolarHBondContact O-CG 3.39Å; A276-R280 PolarHBondContact O-N 3.26Å; A276-R280 VanDerWaalsContact O-N 3.15Å; A276-R280 PolarHBondContact O-NE 3.09Å; E277-R280 PolarHBondContact O-N 3.45Å; E278-R280 VanDerWaalsContact C-N 3.32Å; E278-R280 PolarHBondContact O-N 3.41Å; R280-V282 VanDerWaalsContact C-N 3.34Å; R280-V282 PolarHBondContact O-N 3.42Å; R280-Q283 PolarHBondContact O-N 3.24Å; R280-A284 WeakPolarHBondContact O-CB 3.45Å; R280-A284 PolarHBondContact O-N 3.21Å |
| 281 | K | 80.2 | Confident | 74.8 | Confident | 61 Ų | 61 | 80 Ų | 80 | 27% | 0.265 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 176 | -71.2 | 171.2 | -172.7 | 162.1 | 0 | 111.8 | E277 E278 Q279 R285 | E277-K281 WeakPolarHBondContact O-CG 3.44Å; E277-K281 PolarHBondContact O-N 3.42Å; E277-K281 WeakPolarHBondContact OE1-CE 3.37Å; E277-K281 IonicContact OE1-NZ 2.86Å; E277-K281 PolarHBondContact OE1-NZ 3.41Å; E278-K281 WeakPolarHBondContact O-CB 3.47Å; E278-K281 PolarHBondContact O-N 3.44Å; E278-K281 VanDerWaalsContact O-N 3.11Å; E278-K281 IonicContact OE1-NZ 3.48Å; E278-K281 PolarHBondContact OE1-NZ 3.39Å; Q279-K281 PolarHBondContact O-N 2.93Å; K281-R285 WeakPolarHBondContact O-CB 3.42Å; K281-R285 VanDerWaalsContact O-CG 3.3Å; K281-R285 WeakPolarHBondContact O-CG 3.18Å; K281-R285 PolarHBondContact O-N 3.47Å |
| 282 | V | 76.3 | Confident | 72.4 | Confident | 60 Ų | 60 | 83.3 Ų | 83.3 | 36% | 0.364 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 177.2 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | P65 E278 Q279 R280 A284 R285 A286 | P65-V282 HydrophobicContact CG-CG2 3.74Å; E278-V282 WeakPolarHBondContact O-CG2 3.12Å; E278-V282 PolarHBondContact O-N 2.89Å; Q279-V282 PolarHBondContact O-N 3.4Å; R280-V282 VanDerWaalsContact C-N 3.34Å; R280-V282 PolarHBondContact O-N 3.42Å; V282-A284 PolarHBondContact O-N 2.98Å; V282-R285 PolarHBondContact O-N 3.12Å; V282-A286 PolarHBondContact O-N 2.99Å |
| 283 | Q | 75.4 | Confident | 70.6 | Confident | 118 Ų | 118 | 85.1 Ų | 85.1 | 55% | 0.551 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.7 | -45.2 | 177.8 | -69.9 | 174.8 | 6.4 | 0 | 0 | 111.8 | Q279 R280 R285 A286 H287 | Q279-Q283 WeakPolarHBondContact O-CG 3.32Å; Q279-Q283 PolarHBondContact O-N 3.14Å; R280-Q283 PolarHBondContact O-N 3.24Å; Q283-R285 VanDerWaalsContact C-N 3.3Å; Q283-R285 PolarHBondContact O-N 3.41Å; Q283-A286 WeakPolarHBondContact O-CB 3.17Å; Q283-A286 PolarHBondContact O-N 2.86Å; Q283-A286 VanDerWaalsContact O-N 3.11Å; Q283-H287 PolarHBondContact O-N 3.47Å; Q283-H287 VanDerWaalsContact O-N 3.09Å; Q283-H287 PolarHBondContact O-ND1 3.39Å |
| 284 | A | 74.6 | Confident | 68.4 | Low | 52 Ų | 52 | 85.6 Ų | 85.6 | 43% | 0.43 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62 | -36.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R280 V282 H287 R288 | R280-A284 WeakPolarHBondContact O-CB 3.45Å; R280-A284 PolarHBondContact O-N 3.21Å; V282-A284 PolarHBondContact O-N 2.98Å; A284-H287 PolarHBondContact O-N 2.75Å; A284-R288 PolarHBondContact O-N 2.79Å; A284-R288 VanDerWaalsContact O-N 3.13Å |
| 285 | R | 70.1 | Confident | 66 | Low | 109 Ų | 109 | 91.5 Ų | 91.5 | 41% | 0.411 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.1 | -34.8 | 174.3 | -76 | 175.2 | 179.1 | -172.1 | 1.6 | 112.4 | K281 V282 Q283 K289 | K281-R285 WeakPolarHBondContact O-CB 3.42Å; K281-R285 VanDerWaalsContact O-CG 3.3Å; K281-R285 WeakPolarHBondContact O-CG 3.18Å; K281-R285 PolarHBondContact O-N 3.47Å; V282-R285 PolarHBondContact O-N 3.12Å; Q283-R285 VanDerWaalsContact C-N 3.3Å; Q283-R285 PolarHBondContact O-N 3.41Å; R285-K289 PolarHBondContact O-N 3.4Å |
| 286 | A | 67.3 | Low | 63.5 | Low | 58 Ų | 58 | 95.9 Ų | 95.9 | 48% | 0.479 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V282 Q283 R288 K289 S290 | V282-A286 PolarHBondContact O-N 2.99Å; Q283-A286 WeakPolarHBondContact O-CB 3.17Å; Q283-A286 PolarHBondContact O-N 2.86Å; Q283-A286 VanDerWaalsContact O-N 3.11Å; A286-R288 PolarHBondContact O-N 3.12Å; A286-K289 PolarHBondContact O-N 3.25Å; A286-K289 VanDerWaalsContact O-N 3.13Å; A286-S290 PolarHBondContact O-N 3.25Å |
| 287 | H | 64.3 | Low | 61.2 | Low | 130 Ų | 130 | 98.6 Ų | 98.6 | 60% | 0.602 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.8 | -34.9 | 178.8 | -71.8 | 77.6 | 0 | 0 | 0 | 113.4 | Q283 A284 K289 S290 A291 | Q283-H287 PolarHBondContact O-N 3.47Å; Q283-H287 VanDerWaalsContact O-N 3.09Å; Q283-H287 PolarHBondContact O-ND1 3.39Å; A284-H287 PolarHBondContact O-N 2.75Å; H287-K289 VanDerWaalsContact C-N 3.3Å; H287-K289 PolarHBondContact O-N 3.21Å; H287-S290 PolarHBondContact O-N 3.13Å; H287-S290 PolarHBondContact O-OG 3.4Å; H287-A291 PolarHBondContact O-N 3.14Å; H287-A291 VanDerWaalsContact O-N 3.13Å |
| 288 | R | 60.6 | Low | 58.9 | Low | 206 Ų | 206 | 103.6 Ų | 103.6 | 78% | 0.777 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.4 | -27.6 | 174.5 | -72.9 | -176.9 | -177.5 | -175.1 | 0.6 | 113.1 | A284 A286 G292 | A284-R288 PolarHBondContact O-N 2.79Å; A284-R288 VanDerWaalsContact O-N 3.13Å; A286-R288 PolarHBondContact O-N 3.12Å; R288-G292 PolarHBondContact O-N 3.43Å |
| 289 | K | 57.7 | Low | 56.4 | Low | 157 Ų | 157 | 112.8 Ų | 112.8 | 68% | 0.683 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -76.6 | -29 | 176.1 | -77.5 | -177.8 | 177.7 | -178 | 0 | 112.8 | R285 A286 H287 | R285-K289 PolarHBondContact O-N 3.4Å; A286-K289 PolarHBondContact O-N 3.25Å; A286-K289 VanDerWaalsContact O-N 3.13Å; H287-K289 VanDerWaalsContact C-N 3.3Å; H287-K289 PolarHBondContact O-N 3.21Å |
| 290 | S | 54.9 | Low | 54.5 | Low | 77 Ų | 77 | 113.3 Ų | 113.3 | 54% | 0.538 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -76.8 | -38.4 | 173 | 53.1 | 0 | 0 | 0 | 0 | 112.2 | A286 H287 G292 | A286-S290 PolarHBondContact O-N 3.25Å; H287-S290 PolarHBondContact O-N 3.13Å; H287-S290 PolarHBondContact O-OG 3.4Å; S290-G292 PolarHBondContact O-N 3.16Å |
| 291 | A | 49.1 | Very low | 52.7 | Low | 73 Ų | 73 | 112.4 Ų | 112.4 | 60% | 0.603 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74.7 | -20.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | H287 S293 | H287-A291 PolarHBondContact O-N 3.14Å; H287-A291 VanDerWaalsContact O-N 3.13Å; A291-S293 VanDerWaalsContact C-N 3.31Å; A291-S293 PolarHBondContact O-N 2.99Å |
| 292 | G | 40.4 | Very low | 50.7 | Low | 69 Ų | 69 | 118.6 Ų | 118.6 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 3.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R288 S290 | R288-G292 PolarHBondContact O-N 3.43Å; S290-G292 PolarHBondContact O-N 3.16Å |
| 293 | S | 44.2 | Very low | 49 | Very low | 94 Ų | 94 | 119.5 Ų | 119.5 | 66% | 0.657 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -4.5 | -179.6 | -170 | 0 | 0 | 0 | 0 | 114 | A291 | A291-S293 VanDerWaalsContact C-N 3.31Å; A291-S293 PolarHBondContact O-N 2.99Å |
| 294 | D | 36.5 | Very low | 47.6 | Very low | 139 Ų | 139 | 121.5 Ų | 121.5 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | trans | -105.2 | 41.5 | -169 | -72.2 | -20.1 | 0 | 0 | 0 | 114.4 | ||||
| 295 | C | 33 | Very low | 46.2 | Very low | 133 Ų | 133 | 123.5 Ų | 123.5 | 90% | 0.899 | 72% | 0.72 | S | S | * | * | trans | -141.7 | 69.4 | 167.2 | -90.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 296 | A | 32.5 | Very low | 45.4 | Very low | 102 Ų | 102 | 123 Ų | 123 | 84% | 0.843 | 73% | 0.73 | S | S | * | * | trans | -158.4 | 91 | 151.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 297 | A | 36.9 | Very low | 45.1 | Very low | 93 Ų | 93 | 123.4 Ų | 123.4 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | trans | -91.8 | 145.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 298 | Q | 34.9 | Very low | 45 | Very low | 184 Ų | 184 | 121.5 Ų | 121.5 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | cis | -161.2 | 149.7 | 27.1 | -66.7 | 168.9 | -20.9 | 0 | 0 | 110.5 | ||||
| 299 | K | 31.4 | Very low | 45.3 | Very low | 201 Ų | 201 | 115.3 Ų | 115.3 | 87% | 0.874 | 72% | 0.719 | S | S | * | * | -179.3 | 158.3 | 125.4 | -102.7 | -175.9 | -175.8 | -175.4 | 0 | 111.4 | |||||
| 300 | P | 42.3 | Very low | 45.9 | Very low | 108 Ų | 108 | 113.9 Ų | 113.9 | 70% | 0.701 | 72% | 0.715 | S | S | * | * | -100.1 | 159.7 | -121.2 | 4.8 | 16.1 | 0 | 0 | 0 | 116.1 | E302 | P300-E302 PolarHBondContact O-N 2.84Š| |||
| 301 | T | 44.2 | Very low | 46.5 | Very low | 137 Ų | 137 | 115.6 Ų | 115.6 | 84% | 0.84 | 72% | 0.717 | S | S | * | * | trans | -7.6 | 99.2 | 151 | 48.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 302 | E | 37.9 | Very low | 47.9 | Very low | 191 Ų | 191 | 118.7 Ų | 118.7 | 89% | 0.893 | 72% | 0.717 | S | S | * | * | trans | -156.3 | 0.8 | 154.5 | -115.5 | 169.2 | -158.1 | 0 | 0 | 114.9 | P300 | P300-E302 PolarHBondContact O-N 2.84Š| ||
| 303 | A | 40 | Very low | 49.9 | Very low | 78 Ų | 78 | 121.7 Ų | 121.7 | 65% | 0.645 | 72% | 0.716 | S | S | * | * | trans | -97.7 | 7.6 | -165.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | A305 | A303-A305 PolarHBondContact O-N 2.94Š| ||
| 304 | I | 46.6 | Very low | 51.6 | Low | 160 Ų | 160 | 125.7 Ų | 125.7 | 82% | 0.821 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -14.9 | -171 | -60.4 | 177.3 | 0 | 0 | 0 | 113 | ||
| 305 | A | 45.9 | Very low | 53.8 | Low | 94 Ų | 94 | 123.7 Ų | 123.7 | 78% | 0.777 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -12.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A303 | A303-A305 PolarHBondContact O-N 2.94Š|
| 306 | V | 53.4 | Low | 56.4 | Low | 100 Ų | 100 | 121.9 Ų | 121.9 | 61% | 0.606 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -85.9 | -15.6 | -172.2 | 179.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 307 | S | 60.3 | Low | 58.9 | Low | 65 Ų | 65 | 119.7 Ų | 119.7 | 46% | 0.455 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -88.4 | -16.5 | -168.1 | 81.2 | 0 | 0 | 0 | 0 | 116.9 | L311 | S307-L311 WeakPolarHBondContact O-CB 3.06Å; S307-L311 WeakPolarHBondContact O-CD1 3.32Å; S307-L311 WeakPolarHBondContact O-CG 3.33Å; S307-L311 PolarHBondContact O-N 3.03Å |
| 308 | V | 62.8 | Low | 61 | Low | 90 Ų | 90 | 120 Ų | 120 | 55% | 0.545 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -84.2 | -37.6 | -174.1 | -178.7 | 0 | 0 | 0 | 0 | 112.7 | K312 | V308-K312 WeakPolarHBondContact O-CG 3.45Å; V308-K312 PolarHBondContact O-N 3.35Å; V308-K312 VanDerWaalsContact O-N 3.14Å |
| 309 | A | 66.6 | Low | 63.5 | Low | 76 Ų | 76 | 117.8 Ų | 117.8 | 63% | 0.628 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -72.2 | -39.9 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | K312 L313 | A309-K312 PolarHBondContact O-N 3.5Å; A309-L313 PolarHBondContact O-N 2.99Å |
| 310 | E | 70.1 | Confident | 66.2 | Low | 128 Ų | 128 | 112.7 Ų | 112.7 | 60% | 0.598 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.8 | -36.4 | 177.8 | -162.1 | 176.4 | -178.1 | 0 | 0 | 111.7 | L313 R314 | E310-L313 PolarHBondContact O-N 3.44Å; E310-R314 WeakPolarHBondContact O-CB 3.09Å; E310-R314 PolarHBondContact O-N 3.27Å |
| 311 | L | 66.6 | Low | 68.3 | Low | 112 Ų | 112 | 115.9 Ų | 115.9 | 59% | 0.586 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.7 | -42.1 | 173 | -75.7 | 172.8 | 0 | 0 | 0 | 112.3 | S307 R314 E315 | S307-L311 WeakPolarHBondContact O-CB 3.06Å; S307-L311 WeakPolarHBondContact O-CD1 3.32Å; S307-L311 WeakPolarHBondContact O-CG 3.33Å; S307-L311 PolarHBondContact O-N 3.03Å; L311-R314 PolarHBondContact O-N 2.9Å; L311-E315 WeakPolarHBondContact O-CB 3.17Å; L311-E315 PolarHBondContact O-N 2.83Å |
| 312 | K | 78.8 | Confident | 70.2 | Confident | 138 Ų | 138 | 115.8 Ų | 115.8 | 60% | 0.6 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.7 | -40.8 | 175.5 | -76.3 | -179.5 | 178.1 | -177 | 0 | 112.4 | V308 A309 R314 E315 Q316 | V308-K312 WeakPolarHBondContact O-CG 3.45Å; V308-K312 PolarHBondContact O-N 3.35Å; V308-K312 VanDerWaalsContact O-N 3.14Å; A309-K312 PolarHBondContact O-N 3.5Å; K312-R314 VanDerWaalsContact C-N 3.31Å; K312-R314 PolarHBondContact O-N 3.36Å; K312-E315 PolarHBondContact O-N 2.8Å; K312-Q316 PolarHBondContact O-N 3.33Å |
| 313 | L | 83.5 | Confident | 72.6 | Confident | 133 Ų | 133 | 111.6 Ų | 111.6 | 70% | 0.696 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.6 | -37.8 | 177.4 | -158.5 | 115.3 | 0 | 0 | 0 | 111.4 | A309 E310 Q316 A317 | A309-L313 PolarHBondContact O-N 2.99Å; E310-L313 PolarHBondContact O-N 3.44Å; L313-Q316 PolarHBondContact O-N 2.85Å; L313-A317 WeakPolarHBondContact O-CB 3.34Å; L313-A317 PolarHBondContact O-N 3.36Å |
| 314 | R | 79.4 | Confident | 74.8 | Confident | 178 Ų | 178 | 110.8 Ų | 110.8 | 67% | 0.672 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -71.2 | -36.5 | 176.7 | -163.5 | 168.2 | -174.8 | 157.6 | -0.4 | 112.6 | E310 L311 K312 A317 L318 | E310-R314 WeakPolarHBondContact O-CB 3.09Å; E310-R314 PolarHBondContact O-N 3.27Å; L311-R314 PolarHBondContact O-N 2.9Å; K312-R314 VanDerWaalsContact C-N 3.31Å; K312-R314 PolarHBondContact O-N 3.36Å; R314-A317 PolarHBondContact O-N 3.37Å; R314-L318 VanDerWaalsContact O-CG 3.31Å; R314-L318 WeakPolarHBondContact O-CG 3.43Å; R314-L318 PolarHBondContact O-N 3.3Å |
| 315 | E | 82.8 | Confident | 76.4 | Confident | 96 Ų | 96 | 107.7 Ų | 107.7 | 45% | 0.449 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.4 | -43 | 172.8 | -169.2 | -177 | 170.3 | 0 | 0 | 111.1 | L311 K312 L318 R319 | L311-E315 WeakPolarHBondContact O-CB 3.17Å; L311-E315 PolarHBondContact O-N 2.83Å; K312-E315 PolarHBondContact O-N 2.8Å; E315-L318 PolarHBondContact O-N 2.99Å; E315-R319 WeakPolarHBondContact O-CG 3.29Å; E315-R319 PolarHBondContact O-N 2.86Å; E315-R319 IonicContact OE1-CZ 3.26Å; E315-R319 IonicContact OE1-NE 2.78Å; E315-R319 IonicContact OE1-NH2 2.86Å; E315-R319 PolarHBondContact OE1-NH2 3.04Å |
| 316 | Q | 86.4 | Confident | 78.3 | Confident | 96 Ų | 96 | 109.7 Ų | 109.7 | 45% | 0.449 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.9 | -44.8 | 175.3 | -167.9 | 63.3 | 36.5 | 0 | 0 | 111.5 | K312 L313 L318 R319 D320 | K312-Q316 PolarHBondContact O-N 3.33Å; L313-Q316 PolarHBondContact O-N 2.85Å; Q316-L318 VanDerWaalsContact C-N 3.26Å; Q316-L318 PolarHBondContact O-N 3.48Å; Q316-R319 PolarHBondContact O-N 2.74Å; Q316-R319 VanDerWaalsContact O-N 3.15Å; Q316-D320 PolarHBondContact NE2-OD1 3.04Å; Q316-D320 VanDerWaalsContact O-CG 3.28Å; Q316-D320 PolarHBondContact O-N 3.3Å |
| 317 | A | 85.9 | Confident | 80 | Confident | 55 Ų | 55 | 107.9 Ų | 107.9 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.7 | -31.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L313 R314 R321 | L313-A317 WeakPolarHBondContact O-CB 3.34Å; L313-A317 PolarHBondContact O-N 3.36Å; R314-A317 PolarHBondContact O-N 3.37Å; A317-R321 WeakPolarHBondContact O-CB 3.29Å; A317-R321 PolarHBondContact O-N 3.48Å |
| 318 | L | 80.4 | Confident | 81.2 | Confident | 100 Ų | 100 | 112.5 Ų | 112.5 | 52% | 0.524 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -70.7 | -43.1 | 173.6 | -74.2 | 169.4 | 0 | 0 | 0 | 111.5 | R314 E315 Q316 R321 E322 | R314-L318 VanDerWaalsContact O-CG 3.31Å; R314-L318 WeakPolarHBondContact O-CG 3.43Å; R314-L318 PolarHBondContact O-N 3.3Å; E315-L318 PolarHBondContact O-N 2.99Å; Q316-L318 VanDerWaalsContact C-N 3.26Å; Q316-L318 PolarHBondContact O-N 3.48Å; L318-R321 PolarHBondContact O-N 2.97Å; L318-E322 WeakPolarHBondContact O-CG 3.42Å; L318-E322 PolarHBondContact O-N 3.39Å |
| 319 | R | 87 | Confident | 82 | Confident | 137 Ų | 137 | 114 Ų | 114 | 52% | 0.517 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.5 | -44.8 | 176 | -71.8 | 179.6 | 179.7 | 171.3 | 6.1 | 112.3 | E315 Q316 R321 E322 Q323 | E315-R319 WeakPolarHBondContact O-CG 3.29Å; E315-R319 PolarHBondContact O-N 2.86Å; E315-R319 IonicContact OE1-CZ 3.26Å; E315-R319 IonicContact OE1-NE 2.78Å; E315-R319 IonicContact OE1-NH2 2.86Å; E315-R319 PolarHBondContact OE1-NH2 3.04Å; Q316-R319 PolarHBondContact O-N 2.74Å; Q316-R319 VanDerWaalsContact O-N 3.15Å; R319-R321 VanDerWaalsContact C-N 3.26Å; R319-R321 PolarHBondContact O-N 3.04Å; R319-E322 PolarHBondContact O-N 3.15Å; R319-Q323 PolarHBondContact O-N 3.25Å |
| 320 | D | 88.7 | Confident | 82.9 | Confident | 95 Ų | 95 | 114.9 Ų | 114.9 | 51% | 0.508 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 178.3 | -63.3 | -16.4 | 0 | 0 | 0 | 111.1 | Q316 A324 | Q316-D320 PolarHBondContact NE2-OD1 3.04Å; Q316-D320 VanDerWaalsContact O-CG 3.28Å; Q316-D320 PolarHBondContact O-N 3.3Å; D320-A324 WeakPolarHBondContact O-CB 3.29Å; D320-A324 PolarHBondContact O-N 2.8Å |
| 321 | R | 85.9 | Confident | 83.7 | Confident | 174 Ų | 174 | 117.5 Ų | 117.5 | 66% | 0.657 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.8 | -39 | 176.5 | -174.8 | 174.9 | 179.9 | 153.4 | 0.8 | 112.8 | A317 L318 R319 Q323 A324 L325 | A317-R321 WeakPolarHBondContact O-CB 3.29Å; A317-R321 PolarHBondContact O-N 3.48Å; L318-R321 PolarHBondContact O-N 2.97Å; R319-R321 VanDerWaalsContact C-N 3.26Å; R319-R321 PolarHBondContact O-N 3.04Å; R321-Q323 VanDerWaalsContact C-N 3.35Å; R321-A324 PolarHBondContact O-N 3.37Å; R321-L325 HydrophobicContact CG-CD1 4.47Å; R321-L325 WeakPolarHBondContact O-CG 3.42Å; R321-L325 PolarHBondContact O-N 3.21Å |
| 322 | E | 83.9 | Confident | 84.2 | Confident | 135 Ų | 135 | 116.8 Ų | 116.8 | 63% | 0.631 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.3 | -43.7 | 173.7 | -77.1 | 177.5 | 173.9 | 0 | 0 | 111.1 | L318 R319 A324 L325 K326 | L318-E322 WeakPolarHBondContact O-CG 3.42Å; L318-E322 PolarHBondContact O-N 3.39Å; R319-E322 PolarHBondContact O-N 3.15Å; E322-A324 PolarHBondContact O-N 3.36Å; E322-L325 PolarHBondContact O-N 3.46Å; E322-K326 PolarHBondContact O-N 2.91Å |
| 323 | Q | 88.6 | Confident | 84.3 | Confident | 104 Ų | 104 | 115.2 Ų | 115.2 | 49% | 0.486 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 175.7 | -170.8 | 61.1 | 41.5 | 0 | 0 | 111.6 | R319 R321 L325 K326 D327 | R319-Q323 PolarHBondContact O-N 3.25Å; R321-Q323 VanDerWaalsContact C-N 3.35Å; Q323-L325 VanDerWaalsContact C-N 3.28Å; Q323-L325 PolarHBondContact O-N 3.41Å; Q323-K326 PolarHBondContact O-N 2.96Å; Q323-D327 PolarHBondContact NE2-OD1 3.23Å; Q323-D327 PolarHBondContact O-N 3.41Å |
| 324 | A | 87.4 | Confident | 84.5 | Confident | 60 Ų | 60 | 114 Ų | 114 | 50% | 0.496 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.2 | -32.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D320 R321 E322 R328 | D320-A324 WeakPolarHBondContact O-CB 3.29Å; D320-A324 PolarHBondContact O-N 2.8Å; R321-A324 PolarHBondContact O-N 3.37Å; E322-A324 PolarHBondContact O-N 3.36Å; A324-R328 WeakPolarHBondContact O-CB 3.44Å; A324-R328 PolarHBondContact O-N 2.82Å |
| 325 | L | 80 | Confident | 84.7 | Confident | 95 Ų | 95 | 113.3 Ų | 113.3 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.4 | -42.8 | 174.8 | -75.3 | 171.4 | 0 | 0 | 0 | 111.6 | R321 E322 Q323 R328 E329 | R321-L325 HydrophobicContact CG-CD1 4.47Å; R321-L325 WeakPolarHBondContact O-CG 3.42Å; R321-L325 PolarHBondContact O-N 3.21Å; E322-L325 PolarHBondContact O-N 3.46Å; Q323-L325 VanDerWaalsContact C-N 3.28Å; Q323-L325 PolarHBondContact O-N 3.41Å; L325-R328 WeakPolarHBondContact O-CB 3.41Å; L325-R328 PolarHBondContact O-N 2.76Å; L325-R328 VanDerWaalsContact O-N 3.15Å; L325-E329 PolarHBondContact O-N 3.31Å |
| 326 | K | 86.3 | Confident | 84.4 | Confident | 136 Ų | 136 | 115.3 Ų | 115.3 | 59% | 0.591 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.3 | -44.9 | 176.8 | -169.2 | 174.9 | -177 | 179.9 | 0 | 111.9 | E322 Q323 R328 E329 E330 | E322-K326 PolarHBondContact O-N 2.91Å; Q323-K326 PolarHBondContact O-N 2.96Å; K326-R328 VanDerWaalsContact C-N 3.25Å; K326-R328 PolarHBondContact O-N 3Å; K326-E329 PolarHBondContact O-N 3.27Å; K326-E330 PolarHBondContact O-N 3.36Å |
| 327 | D | 88.4 | Confident | 84.1 | Confident | 62 Ų | 62 | 116.7 Ų | 116.7 | 33% | 0.332 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.2 | -33.6 | 175.9 | -68 | -1 | 0 | 0 | 0 | 112 | Q323 R331 | Q323-D327 PolarHBondContact NE2-OD1 3.23Å; Q323-D327 PolarHBondContact O-N 3.41Å; D327-R331 VanDerWaalsContact O-CG 3.28Å; D327-R331 WeakPolarHBondContact O-CG 3.31Å; D327-R331 PolarHBondContact O-N 3.25Å |
| 328 | R | 84.9 | Confident | 84.1 | Confident | 163 Ų | 163 | 120.5 Ų | 120.5 | 62% | 0.615 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -72.2 | -40.3 | 176.7 | -178.4 | 179.3 | 175.8 | 178.4 | -0.5 | 111.8 | A324 L325 K326 R331 L332 | A324-R328 WeakPolarHBondContact O-CB 3.44Å; A324-R328 PolarHBondContact O-N 2.82Å; L325-R328 WeakPolarHBondContact O-CB 3.41Å; L325-R328 PolarHBondContact O-N 2.76Å; L325-R328 VanDerWaalsContact O-N 3.15Å; K326-R328 VanDerWaalsContact C-N 3.25Å; K326-R328 PolarHBondContact O-N 3Å; R328-R331 PolarHBondContact O-N 3.33Å; R328-L332 HydrophobicContact CG-CD1 4.35Å; R328-L332 WeakPolarHBondContact O-CG 3.34Å; R328-L332 PolarHBondContact O-N 3Å |
| 329 | E | 80.1 | Confident | 84 | Confident | 122 Ų | 122 | 120.4 Ų | 120.4 | 57% | 0.57 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -61.2 | -47.5 | 176 | -171 | 168.9 | -153.3 | 0 | 0 | 110.6 | L325 K326 R331 L332 E333 | L325-E329 PolarHBondContact O-N 3.31Å; K326-E329 PolarHBondContact O-N 3.27Å; E329-R331 VanDerWaalsContact C-N 3.29Å; E329-R331 PolarHBondContact O-N 3.21Å; E329-L332 WeakPolarHBondContact O-CB 3.49Å; E329-L332 PolarHBondContact O-N 3.49Å; E329-E333 PolarHBondContact O-N 3.01Å |
| 330 | E | 86.4 | Confident | 83.9 | Confident | 94 Ų | 94 | 117.6 Ų | 117.6 | 44% | 0.439 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61 | -37 | 177.5 | -163.2 | -167.6 | 153.8 | 0 | 0 | 112.4 | K326 K334 | K326-E330 PolarHBondContact O-N 3.36Å; E330-K334 WeakPolarHBondContact O-CG 3.46Å; E330-K334 PolarHBondContact O-N 2.97Å; E330-K334 VanDerWaalsContact O-N 3.08Å; E330-K334 WeakPolarHBondContact OE1-CE 3.29Å; E330-K334 IonicContact OE1-NZ 2.71Å; E330-K334 PolarHBondContact OE1-NZ 3.33Å |
| 331 | R | 86.9 | Confident | 83.8 | Confident | 183 Ų | 183 | 118.1 Ų | 118.1 | 69% | 0.691 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -66.6 | -37 | 174.1 | -73.2 | 174.8 | -164 | -174.9 | 6 | 112.4 | D327 R328 E329 R335 | D327-R331 VanDerWaalsContact O-CG 3.28Å; D327-R331 WeakPolarHBondContact O-CG 3.31Å; D327-R331 PolarHBondContact O-N 3.25Å; R328-R331 PolarHBondContact O-N 3.33Å; E329-R331 VanDerWaalsContact C-N 3.29Å; E329-R331 PolarHBondContact O-N 3.21Å; R331-R335 WeakPolarHBondContact O-CB 3.28Å; R331-R335 PolarHBondContact O-N 3.23Å; R331-R335 VanDerWaalsContact O-N 3.16Å |
| 332 | L | 75.5 | Confident | 83.6 | Confident | 97 Ų | 97 | 118.8 Ų | 118.8 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.8 | -42.2 | 178.4 | -73 | 171.6 | 0 | 0 | 0 | 110.8 | R328 E329 K334 R335 E336 | R328-L332 HydrophobicContact CG-CD1 4.35Å; R328-L332 WeakPolarHBondContact O-CG 3.34Å; R328-L332 PolarHBondContact O-N 3Å; E329-L332 WeakPolarHBondContact O-CB 3.49Å; E329-L332 PolarHBondContact O-N 3.49Å; L332-K334 PolarHBondContact O-N 3.15Å; L332-R335 PolarHBondContact O-N 2.9Å; L332-R335 VanDerWaalsContact O-N 3.16Å; L332-E336 WeakPolarHBondContact O-CB 3.32Å; L332-E336 PolarHBondContact O-N 3.35Å |
| 333 | E | 82.3 | Confident | 83.4 | Confident | 104 Ų | 104 | 118.6 Ų | 118.6 | 49% | 0.486 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.2 | -45.9 | 174.7 | -73.7 | -175.2 | 163.6 | 0 | 0 | 111.9 | E329 R335 E336 Q337 | E329-E333 PolarHBondContact O-N 3.01Å; E333-R335 VanDerWaalsContact C-N 3.29Å; E333-R335 PolarHBondContact O-N 3.39Å; E333-E336 PolarHBondContact O-N 2.76Å; E333-Q337 WeakPolarHBondContact O-CG 3.14Å; E333-Q337 PolarHBondContact O-N 2.8Å |
| 334 | K | 87.3 | Confident | 83.2 | Confident | 107 Ų | 107 | 121.8 Ų | 121.8 | 47% | 0.465 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -58.6 | -42.8 | 175.1 | -75.2 | 174.2 | -173.8 | 165.5 | 0 | 111.7 | E330 L332 Q337 E338 | E330-K334 WeakPolarHBondContact O-CG 3.46Å; E330-K334 PolarHBondContact O-N 2.97Å; E330-K334 VanDerWaalsContact O-N 3.08Å; E330-K334 WeakPolarHBondContact OE1-CE 3.29Å; E330-K334 IonicContact OE1-NZ 2.71Å; E330-K334 PolarHBondContact OE1-NZ 3.33Å; L332-K334 PolarHBondContact O-N 3.15Å; K334-Q337 PolarHBondContact O-N 2.96Å; K334-E338 WeakPolarHBondContact O-CG 3.35Å; K334-E338 PolarHBondContact O-N 3.28Å |
| 335 | R | 82.6 | Confident | 83.1 | Confident | 164 Ų | 164 | 123.2 Ų | 123.2 | 62% | 0.619 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.3 | -35.8 | 178.8 | -168.8 | 172.4 | -177.2 | 175.2 | 0.3 | 112.4 | R331 L332 E333 E338 L339 | R331-R335 WeakPolarHBondContact O-CB 3.28Å; R331-R335 PolarHBondContact O-N 3.23Å; R331-R335 VanDerWaalsContact O-N 3.16Å; L332-R335 PolarHBondContact O-N 2.9Å; L332-R335 VanDerWaalsContact O-N 3.16Å; E333-R335 VanDerWaalsContact C-N 3.29Å; E333-R335 PolarHBondContact O-N 3.39Å; R335-E338 PolarHBondContact O-N 3.3Å; R335-L339 VanDerWaalsContact O-CG 3.3Å; R335-L339 WeakPolarHBondContact O-CG 3.19Å; R335-L339 PolarHBondContact O-N 2.8Å |
| 336 | E | 76.8 | Confident | 82.9 | Confident | 138 Ų | 138 | 122 Ų | 122 | 65% | 0.645 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.7 | -42.6 | 175.4 | -170.7 | 174.1 | -178.8 | 0 | 0 | 111.3 | L332 E333 E338 L339 C340 | L332-E336 WeakPolarHBondContact O-CB 3.32Å; L332-E336 PolarHBondContact O-N 3.35Å; E333-E336 PolarHBondContact O-N 2.76Å; E336-E338 PolarHBondContact O-N 3.3Å; E336-L339 PolarHBondContact O-N 2.84Å; E336-C340 WeakPolarHBondContact O-CB 3.3Å; E336-C340 PolarHBondContact O-N 2.94Å |
| 337 | Q | 80.9 | Confident | 82.7 | Confident | 126 Ų | 126 | 119.3 Ų | 119.3 | 59% | 0.589 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60 | -44.3 | 173.2 | -70.6 | 174.7 | 4.8 | 0 | 0 | 111.8 | E333 K334 L339 C340 I341 | E333-Q337 WeakPolarHBondContact O-CG 3.14Å; E333-Q337 PolarHBondContact O-N 2.8Å; K334-Q337 PolarHBondContact O-N 2.96Å; Q337-L339 VanDerWaalsContact C-N 3.35Å; Q337-L339 PolarHBondContact O-N 3.02Å; Q337-C340 PolarHBondContact O-N 3.33Å; Q337-I341 VanDerWaalsContact O-CG1 3.32Å; Q337-I341 WeakPolarHBondContact O-CG1 3.33Å; Q337-I341 PolarHBondContact O-N 3.25Å |
| 338 | E | 86.2 | Confident | 82.5 | Confident | 134 Ų | 134 | 119.9 Ų | 119.9 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.2 | -43.1 | 175 | -75.7 | 177.4 | -178.7 | 0 | 0 | 112.4 | K334 R335 E336 I341 R342 | K334-E338 WeakPolarHBondContact O-CG 3.35Å; K334-E338 PolarHBondContact O-N 3.28Å; R335-E338 PolarHBondContact O-N 3.3Å; E336-E338 PolarHBondContact O-N 3.3Å; E338-I341 PolarHBondContact O-N 2.9Å; E338-R342 WeakPolarHBondContact O-CB 3.35Å; E338-R342 PolarHBondContact O-N 3.47Å |
| 339 | L | 77 | Confident | 82.5 | Confident | 98 Ų | 98 | 119.2 Ų | 119.2 | 51% | 0.513 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.7 | -41.8 | 177.8 | -74 | 172.3 | 0 | 0 | 0 | 111.7 | R335 E336 Q337 I341 R342 E343 | R335-L339 VanDerWaalsContact O-CG 3.3Å; R335-L339 WeakPolarHBondContact O-CG 3.19Å; R335-L339 PolarHBondContact O-N 2.8Å; E336-L339 PolarHBondContact O-N 2.84Å; Q337-L339 VanDerWaalsContact C-N 3.35Å; Q337-L339 PolarHBondContact O-N 3.02Å; L339-I341 PolarHBondContact O-N 3.07Å; L339-R342 WeakPolarHBondContact O-CB 3.41Å; L339-R342 PolarHBondContact O-N 3.16Å; L339-E343 WeakPolarHBondContact O-CB 3.44Å; L339-E343 PolarHBondContact O-N 3.38Å |
| 340 | C | 85.2 | Confident | 82.4 | Confident | 79 Ų | 79 | 118.2 Ų | 118.2 | 53% | 0.534 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.2 | -45.2 | 176.1 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | E336 Q337 R342 E343 R344 | E336-C340 WeakPolarHBondContact O-CB 3.3Å; E336-C340 PolarHBondContact O-N 2.94Å; Q337-C340 PolarHBondContact O-N 3.33Å; C340-R342 VanDerWaalsContact C-N 3.32Å; C340-R342 PolarHBondContact O-N 2.95Å; C340-E343 PolarHBondContact O-N 3.25Å; C340-R344 WeakPolarHBondContact O-CB 3.41Å; C340-R344 PolarHBondContact O-N 2.99Å |
| 341 | I | 87.1 | Confident | 82.3 | Confident | 106 Ų | 106 | 116.2 Ų | 116.2 | 54% | 0.544 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.5 | -43.7 | 175.4 | -67.3 | 165.9 | 0 | 0 | 0 | 110.4 | Q337 E338 L339 E343 R344 L345 | Q337-I341 VanDerWaalsContact O-CG1 3.32Å; Q337-I341 WeakPolarHBondContact O-CG1 3.33Å; Q337-I341 PolarHBondContact O-N 3.25Å; E338-I341 PolarHBondContact O-N 2.9Å; L339-I341 PolarHBondContact O-N 3.07Å; I341-E343 PolarHBondContact O-N 3.08Å; I341-R344 PolarHBondContact O-N 3.16Å; I341-L345 HydrophobicContact CG2-CD1 4.09Å; I341-L345 WeakPolarHBondContact O-CG 3.45Å; I341-L345 PolarHBondContact O-N 2.85Å |
| 342 | R | 82.4 | Confident | 82.1 | Confident | 187 Ų | 187 | 115.3 Ų | 115.3 | 71% | 0.706 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.8 | -40.2 | 179.9 | -166.1 | 178.3 | -164 | 171.4 | 5.4 | 112.3 | E338 L339 C340 L345 S346 | E338-R342 WeakPolarHBondContact O-CB 3.35Å; E338-R342 PolarHBondContact O-N 3.47Å; L339-R342 WeakPolarHBondContact O-CB 3.41Å; L339-R342 PolarHBondContact O-N 3.16Å; C340-R342 VanDerWaalsContact C-N 3.32Å; C340-R342 PolarHBondContact O-N 2.95Å; R342-L345 PolarHBondContact O-N 3.22Å; R342-S346 WeakPolarHBondContact O-CB 3.48Å; R342-S346 PolarHBondContact O-N 2.92Å |
| 343 | E | 79.8 | Confident | 82.3 | Confident | 132 Ų | 132 | 113 Ų | 113 | 62% | 0.617 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.7 | -47.3 | 176 | -174.8 | 174.5 | -157.4 | 0 | 0 | 110.7 | L339 C340 I341 L345 S346 T347 | L339-E343 WeakPolarHBondContact O-CB 3.44Å; L339-E343 PolarHBondContact O-N 3.38Å; C340-E343 PolarHBondContact O-N 3.25Å; I341-E343 PolarHBondContact O-N 3.08Å; E343-L345 VanDerWaalsContact C-N 3.33Å; E343-L345 PolarHBondContact O-N 3.37Å; E343-S346 CarbonylContact O-C 3.5Å; E343-S346 WeakPolarHBondContact O-CA 3.38Å; E343-S346 WeakPolarHBondContact O-CB 3.28Å; E343-S346 PolarHBondContact O-N 3.29Å; E343-T347 HydrophobicContact CG-CG2 4.49Å; E343-T347 WeakPolarHBondContact O-CG2 3.39Å; E343-T347 PolarHBondContact O-N 3.45Å; E343-T347 PolarHBondContact O-OG1 3Å |
| 344 | R | 84 | Confident | 82.3 | Confident | 171 Ų | 171 | 113.6 Ų | 113.6 | 65% | 0.645 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -58.5 | -42.7 | 175.6 | -172.8 | 176.6 | 177.6 | 167.7 | 3.4 | 112.7 | C340 I341 S346 T347 E348 | C340-R344 WeakPolarHBondContact O-CB 3.41Å; C340-R344 PolarHBondContact O-N 2.99Å; I341-R344 PolarHBondContact O-N 3.16Å; R344-S346 VanDerWaalsContact C-N 3.28Å; R344-S346 PolarHBondContact O-N 3.46Å; R344-T347 WeakPolarHBondContact CA-OG1 3.47Å; R344-T347 PolarHBondContact O-N 3.41Å; R344-T347 PolarHBondContact O-OG1 3.47Å; R344-E348 IonicContact NE-OE1 2.84Å; R344-E348 WeakPolarHBondContact O-CB 3.46Å; R344-E348 WeakPolarHBondContact O-CG 3.36Å; R344-E348 PolarHBondContact O-N 3.23Å |
| 345 | L | 84.3 | Confident | 82.1 | Confident | 89 Ų | 89 | 111.5 Ų | 111.5 | 47% | 0.466 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.6 | -32.9 | 174.9 | -71.7 | 171.3 | 0 | 0 | 0 | 112.2 | I341 R342 E343 K349 | I341-L345 HydrophobicContact CG2-CD1 4.09Å; I341-L345 WeakPolarHBondContact O-CG 3.45Å; I341-L345 PolarHBondContact O-N 2.85Å; R342-L345 PolarHBondContact O-N 3.22Å; E343-L345 VanDerWaalsContact C-N 3.33Å; E343-L345 PolarHBondContact O-N 3.37Å; L345-K349 VanDerWaalsContact O-CG 3.25Å; L345-K349 WeakPolarHBondContact O-CG 3.25Å; L345-K349 PolarHBondContact O-N 2.87Å |
| 346 | S | 77.3 | Confident | 82.2 | Confident | 71 Ų | 71 | 109.6 Ų | 109.6 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71 | -44.1 | 176.3 | -167.8 | 0 | 0 | 0 | 0 | 111.6 | R342 E343 R344 K349 L350 | R342-S346 WeakPolarHBondContact O-CB 3.48Å; R342-S346 PolarHBondContact O-N 2.92Å; E343-S346 CarbonylContact O-C 3.5Å; E343-S346 WeakPolarHBondContact O-CA 3.38Å; E343-S346 WeakPolarHBondContact O-CB 3.28Å; E343-S346 PolarHBondContact O-N 3.29Å; R344-S346 VanDerWaalsContact C-N 3.28Å; R344-S346 PolarHBondContact O-N 3.46Å; S346-K349 PolarHBondContact O-N 3.38Å; S346-L350 WeakPolarHBondContact O-CB 3.3Å; S346-L350 PolarHBondContact O-N 2.86Å |
| 347 | T | 81.6 | Confident | 82.4 | Confident | 78 Ų | 78 | 108.4 Ų | 108.4 | 48% | 0.479 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 178.1 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | E343 R344 K349 L350 A351 | E343-T347 HydrophobicContact CG-CG2 4.49Å; E343-T347 WeakPolarHBondContact O-CG2 3.39Å; E343-T347 PolarHBondContact O-N 3.45Å; E343-T347 PolarHBondContact O-OG1 3Å; R344-T347 WeakPolarHBondContact CA-OG1 3.47Å; R344-T347 PolarHBondContact O-N 3.41Å; R344-T347 PolarHBondContact O-OG1 3.47Å; T347-K349 PolarHBondContact O-N 3.49Å; T347-L350 PolarHBondContact O-N 3.44Å; T347-A351 WeakPolarHBondContact O-CB 3.42Å; T347-A351 PolarHBondContact O-N 2.81Å |
| 348 | E | 84.8 | Confident | 82.4 | Confident | 74 Ų | 74 | 108.8 Ų | 108.8 | 35% | 0.346 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62 | -41 | 173.1 | -77.4 | -177.6 | -163.2 | 0 | 0 | 112.6 | R344 L350 R352 | R344-E348 IonicContact NE-OE1 2.84Å; R344-E348 WeakPolarHBondContact O-CB 3.46Å; R344-E348 WeakPolarHBondContact O-CG 3.36Å; R344-E348 PolarHBondContact O-N 3.23Å; E348-L350 VanDerWaalsContact C-N 3.32Å; E348-R352 VanDerWaalsContact O-CG 3.29Å; E348-R352 WeakPolarHBondContact O-CG 3.27Å; E348-R352 PolarHBondContact O-N 2.87Å; E348-R352 IonicContact OE2-NH2 3.32Å |
| 349 | K | 83.9 | Confident | 82 | Confident | 150 Ų | 150 | 106 Ų | 106 | 65% | 0.652 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.9 | -39.7 | 175.5 | -77 | 172.4 | -176.4 | 177.7 | 0 | 111.7 | L345 S346 T347 R352 A353 | L345-K349 VanDerWaalsContact O-CG 3.25Å; L345-K349 WeakPolarHBondContact O-CG 3.25Å; L345-K349 PolarHBondContact O-N 2.87Å; S346-K349 PolarHBondContact O-N 3.38Å; T347-K349 PolarHBondContact O-N 3.49Å; K349-R352 PolarHBondContact O-N 3.34Å; K349-A353 PolarHBondContact O-N 3.19Å |
| 350 | L | 79.3 | Confident | 81.9 | Confident | 101 Ų | 101 | 107.2 Ų | 107.2 | 53% | 0.529 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.3 | -46.5 | 178.8 | -161.6 | 147.7 | 0 | 0 | 0 | 110.8 | S346 T347 E348 R352 A353 E354 | S346-L350 WeakPolarHBondContact O-CB 3.3Å; S346-L350 PolarHBondContact O-N 2.86Å; T347-L350 PolarHBondContact O-N 3.44Å; E348-L350 VanDerWaalsContact C-N 3.32Å; L350-R352 VanDerWaalsContact C-N 3.32Å; L350-R352 PolarHBondContact O-N 3.21Å; L350-A353 WeakPolarHBondContact O-CB 3.46Å; L350-A353 PolarHBondContact O-N 2.68Å; L350-A353 VanDerWaalsContact O-N 3.07Å; L350-E354 HydrophobicContact CD2-CG 4.09Å; L350-E354 VanDerWaalsContact CD2-OE1 3.25Å; L350-E354 WeakPolarHBondContact CD2-OE1 3.31Å; L350-E354 WeakPolarHBondContact O-CG 3.19Å; L350-E354 PolarHBondContact O-N 3.02Å |
| 351 | A | 82.6 | Confident | 81.6 | Confident | 51 Ų | 51 | 106.4 Ų | 106.4 | 42% | 0.421 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.6 | -39.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | T347 E354 S355 | T347-A351 WeakPolarHBondContact O-CB 3.42Å; T347-A351 PolarHBondContact O-N 2.81Å; A351-E354 PolarHBondContact O-N 3.01Å; A351-S355 PolarHBondContact O-N 3.46Å |
| 352 | R | 83.6 | Confident | 81 | Confident | 164 Ų | 164 | 108.4 Ų | 108.4 | 62% | 0.619 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.8 | -42 | 173.6 | -72.4 | 178 | -158.4 | -162.5 | 7.4 | 111.9 | E348 K349 L350 S355 L356 | E348-R352 VanDerWaalsContact O-CG 3.29Å; E348-R352 WeakPolarHBondContact O-CG 3.27Å; E348-R352 PolarHBondContact O-N 2.87Å; E348-R352 IonicContact OE2-NH2 3.32Å; K349-R352 PolarHBondContact O-N 3.34Å; L350-R352 VanDerWaalsContact C-N 3.32Å; L350-R352 PolarHBondContact O-N 3.21Å; R352-S355 PolarHBondContact O-N 3.39Å; R352-L356 WeakPolarHBondContact O-CG 3.43Å; R352-L356 PolarHBondContact O-N 3.37Å |
| 353 | A | 79.2 | Confident | 80.6 | Confident | 48 Ų | 48 | 104.6 Ų | 104.6 | 40% | 0.397 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K349 L350 S355 L356 L357 | K349-A353 PolarHBondContact O-N 3.19Å; L350-A353 WeakPolarHBondContact O-CB 3.46Å; L350-A353 PolarHBondContact O-N 2.68Å; L350-A353 VanDerWaalsContact O-N 3.07Å; A353-S355 PolarHBondContact O-N 3.49Å; A353-L356 PolarHBondContact O-N 2.99Å; A353-L357 WeakPolarHBondContact O-CG 3.26Å; A353-L357 PolarHBondContact O-N 2.98Å |
| 354 | E | 82.9 | Confident | 80.3 | Confident | 117 Ų | 117 | 102.7 Ų | 102.7 | 55% | 0.547 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.3 | -43.5 | 174.9 | -72.5 | 179.6 | 164.4 | 0 | 0 | 112.1 | L350 A351 L356 L357 K358 | L350-E354 HydrophobicContact CD2-CG 4.09Å; L350-E354 VanDerWaalsContact CD2-OE1 3.25Å; L350-E354 WeakPolarHBondContact CD2-OE1 3.31Å; L350-E354 WeakPolarHBondContact O-CG 3.19Å; L350-E354 PolarHBondContact O-N 3.02Å; A351-E354 PolarHBondContact O-N 3.01Å; E354-L356 VanDerWaalsContact C-N 3.32Å; E354-L356 PolarHBondContact O-N 3.45Å; E354-L357 PolarHBondContact O-N 3.5Å; E354-K358 WeakPolarHBondContact O-CB 3.37Å; E354-K358 PolarHBondContact O-N 2.98Å |
| 355 | S | 83.4 | Confident | 79.5 | Confident | 64 Ų | 64 | 100.6 Ų | 100.6 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -38.4 | 176.3 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | A351 R352 A353 K358 N359 | A351-S355 PolarHBondContact O-N 3.46Å; R352-S355 PolarHBondContact O-N 3.39Å; A353-S355 PolarHBondContact O-N 3.49Å; S355-K358 PolarHBondContact O-N 3.45Å; S355-N359 WeakPolarHBondContact O-CB 3.49Å; S355-N359 VanDerWaalsContact O-CG 3.26Å; S355-N359 PolarHBondContact O-N 2.83Å; S355-N359 PolarHBondContact O-ND2 2.98Å |
| 356 | L | 84.7 | Confident | 78.6 | Confident | 123 Ų | 123 | 103.1 Ų | 103.1 | 64% | 0.644 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66 | -43.7 | 176.3 | -76.6 | 170.6 | 0 | 0 | 0 | 111.6 | R352 A353 E354 K358 N359 Y360 | R352-L356 WeakPolarHBondContact O-CG 3.43Å; R352-L356 PolarHBondContact O-N 3.37Å; A353-L356 PolarHBondContact O-N 2.99Å; E354-L356 VanDerWaalsContact C-N 3.32Å; E354-L356 PolarHBondContact O-N 3.45Å; L356-K358 VanDerWaalsContact C-N 3.35Å; L356-K358 PolarHBondContact O-N 3.37Å; L356-N359 PolarHBondContact O-N 2.98Å; L356-Y360 WeakPolarHBondContact O-CB 3.33Å; L356-Y360 PolarHBondContact O-N 2.99Å |
| 357 | L | 80.1 | Confident | 77.6 | Confident | 114 Ų | 114 | 105 Ų | 105 | 60% | 0.597 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.3 | -43.9 | 175.8 | -74.4 | 169.1 | 0 | 0 | 0 | 111.4 | A353 E354 N359 Y360 S361 | A353-L357 WeakPolarHBondContact O-CG 3.26Å; A353-L357 PolarHBondContact O-N 2.98Å; E354-L357 PolarHBondContact O-N 3.5Å; L357-N359 VanDerWaalsContact C-N 3.33Å; L357-N359 PolarHBondContact O-N 3.42Å; L357-Y360 PolarHBondContact O-N 2.9Å; L357-S361 PolarHBondContact O-N 2.84Å; L357-S361 PolarHBondContact O-OG 3.3Å |
| 358 | K | 81.7 | Confident | 76.3 | Confident | 133 Ų | 133 | 107.5 Ų | 107.5 | 58% | 0.578 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.7 | -39.3 | 177.4 | -167 | 173.9 | -174.5 | 173.8 | 0 | 112.5 | E354 S355 L356 R362 | E354-K358 WeakPolarHBondContact O-CB 3.37Å; E354-K358 PolarHBondContact O-N 2.98Å; S355-K358 PolarHBondContact O-N 3.45Å; L356-K358 VanDerWaalsContact C-N 3.35Å; L356-K358 PolarHBondContact O-N 3.37Å; K358-R362 PolarHBondContact O-N 3.45Å; K358-R362 VanDerWaalsContact O-N 3.08Å |
| 359 | N | 77.2 | Confident | 74.9 | Confident | 77 Ų | 77 | 108.8 Ų | 108.8 | 41% | 0.412 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.3 | -39.6 | 175.4 | -73.5 | -17.2 | 0 | 0 | 0 | 111.9 | S355 L356 L357 R362 L363 | S355-N359 WeakPolarHBondContact O-CB 3.49Å; S355-N359 VanDerWaalsContact O-CG 3.26Å; S355-N359 PolarHBondContact O-N 2.83Å; S355-N359 PolarHBondContact O-ND2 2.98Å; L356-N359 PolarHBondContact O-N 2.98Å; L357-N359 VanDerWaalsContact C-N 3.33Å; L357-N359 PolarHBondContact O-N 3.42Å; N359-R362 PolarHBondContact O-N 2.97Å; N359-L363 PolarHBondContact O-N 3.45Å |
| 360 | Y | 75.6 | Confident | 73.5 | Confident | 123 Ų | 123 | 108.1 Ų | 108.1 | 48% | 0.482 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 174.8 | -176.8 | -101.3 | 0 | 0 | 0 | 112 | L356 L357 R362 L363 Q364 | L356-Y360 WeakPolarHBondContact O-CB 3.33Å; L356-Y360 PolarHBondContact O-N 2.99Å; L357-Y360 PolarHBondContact O-N 2.9Å; Y360-R362 VanDerWaalsContact C-N 3.31Å; Y360-R362 PolarHBondContact O-N 3.43Å; Y360-L363 PolarHBondContact O-N 2.97Å; Y360-L363 VanDerWaalsContact O-N 3.16Å; Y360-Q364 HydrophobicContact CD1-CG 4.5Å; Y360-Q364 HydrophobicContact CE1-CG 4.06Å; Y360-Q364 PolarHBondContact O-N 3.26Å; Y360-Q364 PolarHBondContact OH-NE2 3.46Å; Y360-Q364 VanDerWaalsContact OH-NE2 3.16Å |
| 361 | S | 78.3 | Confident | 72.2 | Confident | 61 Ų | 61 | 107 Ų | 107 | 43% | 0.427 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60 | -38.8 | 174 | -61.3 | 0 | 0 | 0 | 0 | 112.6 | L357 Q364 Q365 | L357-S361 PolarHBondContact O-N 2.84Å; L357-S361 PolarHBondContact O-OG 3.3Å; S361-Q364 PolarHBondContact O-N 2.88Å; S361-Q365 WeakPolarHBondContact O-CG 3.32Å; S361-Q365 PolarHBondContact O-N 3.24Å |
| 362 | R | 74.5 | Confident | 70.4 | Confident | 149 Ų | 149 | 114.7 Ų | 114.7 | 56% | 0.562 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.7 | -37.5 | 174.9 | -82.2 | -179.6 | 175.8 | -178.2 | -2.5 | 112.9 | K358 N359 Y360 K366 | K358-R362 PolarHBondContact O-N 3.45Å; K358-R362 VanDerWaalsContact O-N 3.08Å; N359-R362 PolarHBondContact O-N 2.97Å; Y360-R362 VanDerWaalsContact C-N 3.31Å; Y360-R362 PolarHBondContact O-N 3.43Å; R362-K366 PolarHBondContact O-N 2.9Å |
| 363 | L | 73.8 | Confident | 68.6 | Low | 106 Ų | 106 | 110 Ų | 110 | 56% | 0.555 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.9 | -43.7 | 175.6 | -77.3 | 162.1 | 0 | 0 | 0 | 111 | N359 Y360 Q365 K366 D367 | N359-L363 PolarHBondContact O-N 3.45Å; Y360-L363 PolarHBondContact O-N 2.97Å; Y360-L363 VanDerWaalsContact O-N 3.16Å; L363-Q365 VanDerWaalsContact C-N 3.34Å; L363-Q365 PolarHBondContact O-N 2.9Å; L363-K366 PolarHBondContact O-N 3.42Å; L363-K366 VanDerWaalsContact O-N 3.15Å; L363-D367 PolarHBondContact O-N 3.08Å |
| 364 | Q | 72.6 | Confident | 66.9 | Low | 92 Ų | 92 | 116.2 Ų | 116.2 | 43% | 0.43 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.2 | -41 | 174.2 | -77.9 | -170 | -21.2 | 0 | 0 | 112.9 | Y360 S361 K366 D367 Q368 | Y360-Q364 HydrophobicContact CD1-CG 4.5Å; Y360-Q364 HydrophobicContact CE1-CG 4.06Å; Y360-Q364 PolarHBondContact O-N 3.26Å; Y360-Q364 PolarHBondContact OH-NE2 3.46Å; Y360-Q364 VanDerWaalsContact OH-NE2 3.16Å; S361-Q364 PolarHBondContact O-N 2.88Å; Q364-K366 VanDerWaalsContact C-N 3.35Å; Q364-D367 PolarHBondContact O-N 3.07Å; Q364-Q368 WeakPolarHBondContact O-CB 3.49Å; Q364-Q368 WeakPolarHBondContact O-CG 3.4Å; Q364-Q368 PolarHBondContact O-N 3.34Å |
| 365 | Q | 68.3 | Low | 64.8 | Low | 128 Ų | 128 | 118.3 Ų | 118.3 | 60% | 0.598 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.2 | -38.2 | 175.2 | -78.3 | -179.7 | -19 | 0 | 0 | 112.2 | S361 L363 Q368 T369 | S361-Q365 WeakPolarHBondContact O-CG 3.32Å; S361-Q365 PolarHBondContact O-N 3.24Å; L363-Q365 VanDerWaalsContact C-N 3.34Å; L363-Q365 PolarHBondContact O-N 2.9Å; Q365-Q368 PolarHBondContact O-N 3.41Å; Q365-T369 PolarHBondContact O-N 2.89Å; Q365-T369 PolarHBondContact O-OG1 3.37Å |
| 366 | K | 64.5 | Low | 62.5 | Low | 141 Ų | 141 | 123.4 Ų | 123.4 | 61% | 0.613 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.8 | -43.2 | 175 | -81.6 | -173.7 | 173.8 | -172.4 | 0 | 112.4 | R362 L363 Q364 Q368 T369 L370 | R362-K366 PolarHBondContact O-N 2.9Å; L363-K366 PolarHBondContact O-N 3.42Å; L363-K366 VanDerWaalsContact O-N 3.15Å; Q364-K366 VanDerWaalsContact C-N 3.35Å; K366-Q368 VanDerWaalsContact C-N 3.32Å; K366-Q368 PolarHBondContact O-N 3.43Å; K366-T369 VanDerWaalsContact CA-OG1 3.31Å; K366-T369 WeakPolarHBondContact CA-OG1 3.35Å; K366-T369 PolarHBondContact O-N 3.49Å; K366-T369 PolarHBondContact O-OG1 3.37Å; K366-L370 PolarHBondContact O-N 3.08Å |
| 367 | D | 57.5 | Low | 60.1 | Low | 110 Ų | 110 | 124.9 Ų | 124.9 | 59% | 0.588 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.9 | -36.8 | 175.3 | -80.3 | -18 | 0 | 0 | 0 | 111.7 | L363 Q364 L370 A371 | L363-D367 PolarHBondContact O-N 3.08Å; Q364-D367 PolarHBondContact O-N 3.07Å; D367-L370 PolarHBondContact O-N 3.19Å; D367-A371 WeakPolarHBondContact O-CB 3.41Å; D367-A371 PolarHBondContact O-N 3.5Å |
| 368 | Q | 54.3 | Low | 58.2 | Low | 131 Ų | 131 | 125 Ų | 125 | 61% | 0.612 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67 | -38.1 | 172.8 | -81.1 | 177.6 | -14.8 | 0 | 0 | 112.8 | Q364 Q365 K366 A371 Y372 | Q364-Q368 WeakPolarHBondContact O-CB 3.49Å; Q364-Q368 WeakPolarHBondContact O-CG 3.4Å; Q364-Q368 PolarHBondContact O-N 3.34Å; Q365-Q368 PolarHBondContact O-N 3.41Å; K366-Q368 VanDerWaalsContact C-N 3.32Å; K366-Q368 PolarHBondContact O-N 3.43Å; Q368-A371 PolarHBondContact O-N 3.32Å; Q368-Y372 PolarHBondContact O-N 2.92Å; Q368-Y372 VanDerWaalsContact O-N 3.17Å |
| 369 | T | 55.6 | Low | 55.9 | Low | 101 Ų | 101 | 127.1 Ų | 127.1 | 62% | 0.62 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71 | -30.2 | 174.4 | 48.8 | 0 | 0 | 0 | 0 | 113.4 | Q365 K366 | Q365-T369 PolarHBondContact O-N 2.89Å; Q365-T369 PolarHBondContact O-OG1 3.37Å; K366-T369 VanDerWaalsContact CA-OG1 3.31Å; K366-T369 WeakPolarHBondContact CA-OG1 3.35Å; K366-T369 PolarHBondContact O-N 3.49Å; K366-T369 PolarHBondContact O-OG1 3.37Å |
| 370 | L | 54.8 | Low | 53.6 | Low | 137 Ų | 137 | 131.3 Ų | 131.3 | 72% | 0.717 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -74.2 | -29.1 | 172.3 | -89.3 | 146.9 | 0 | 0 | 0 | 112.3 | K366 D367 | K366-L370 PolarHBondContact O-N 3.08Å; D367-L370 PolarHBondContact O-N 3.19Å |
| 371 | A | 52 | Low | 51.4 | Low | 76 Ų | 76 | 132.3 Ų | 132.3 | 63% | 0.628 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -75.2 | -24.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D367 Q368 | D367-A371 WeakPolarHBondContact O-CB 3.41Å; D367-A371 PolarHBondContact O-N 3.5Å; Q368-A371 PolarHBondContact O-N 3.32Å |
| 372 | Y | 44.7 | Very low | 49.2 | Very low | 214 Ų | 214 | 134.6 Ų | 134.6 | 84% | 0.839 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97 | 6.5 | 178.6 | -95.6 | -85.4 | 0 | 0 | 0 | 114.6 | Q368 | Q368-Y372 PolarHBondContact O-N 2.92Å; Q368-Y372 VanDerWaalsContact O-N 3.17Å |
| 373 | G | 44.7 | Very low | 48 | Very low | 65 Ų | 65 | 133.1 Ų | 133.1 | 67% | 0.67 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -93.9 | 5.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 374 | K | 44 | Very low | 45.7 | Very low | 179 Ų | 179 | 131.3 Ų | 131.3 | 78% | 0.778 | 72% | 0.72 | S | S | * | * | trans | -114.4 | 100.9 | 169.4 | -82.9 | -177.5 | 175.2 | 179.5 | 0 | 107.7 | ||||
| 375 | D | 38.7 | Very low | 43.8 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | trans | 169.5 | 95 | 140.4 | -80.8 | -19.6 | 0 | 0 | 0 | 108.9 | ||||
| 376 | L | 35.4 | Very low | 42 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 89% | 0.89 | 75% | 0.754 | S | S | * | * | trans | -136.7 | 104.6 | 155.1 | -82.3 | 173.4 | 0 | 0 | 0 | 107.8 | ||||
| 377 | D | 32.9 | Very low | 40.3 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | 35.7 | 137.8 | 159.1 | -66.9 | -39.3 | 0 | 0 | 0 | 123.8 | ||||
| 378 | P | 41.8 | Very low | 38.9 | Very low | 115 Ų | 115 | 143 Ų | 143 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | trans | -97.8 | 133.9 | 168.7 | 36.7 | -26.9 | 0 | 0 | 0 | 112.2 | ||||
| 379 | E | 31.8 | Very low | 37.8 | Very low | 179 Ų | 179 | 144.7 Ų | 144.7 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | trans | 159.9 | 103 | 145.2 | -83 | -115.1 | 148.1 | 0 | 0 | 109 | ||||
| 380 | D | 30.7 | Very low | 36.4 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | -160.6 | 141.8 | 125.7 | -133.9 | -18.8 | 0 | 0 | 0 | 111 | |||||
| 381 | L | 28.5 | Very low | 35.4 | Very low | 145 Ų | 145 | 147.3 Ų | 147.3 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -85.6 | 158.7 | -165.7 | -83.6 | 139.8 | 0 | 0 | 0 | 114.2 | ||||
| 382 | S | 31.7 | Very low | 34.2 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | 103.1 | 154.6 | 143.6 | -117.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 383 | P | 48.9 | Very low | 33.5 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | -137 | 163.3 | -92.4 | 37.2 | -18.3 | 0 | 0 | 0 | 116.1 | |||||
| 384 | G | 26.5 | Very low | 32.7 | Very low | 67 Ų | 67 | 148.8 Ų | 148.8 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | trans | 100.9 | 118.9 | 136.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 385 | K | 32.3 | Very low | 32.5 | Very low | 206 Ų | 206 | 150 Ų | 150 | 90% | 0.896 | 82% | 0.818 | S | S | * | * | 170.6 | 122.9 | 91.8 | -90.1 | 173.1 | -177.6 | 173.2 | 0 | 111.2 | |||||
| 386 | K | 30 | Very low | 32.1 | Very low | 194 Ų | 194 | 150.9 Ų | 150.9 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | 9 | 130.7 | 140.8 | -63.3 | 176.9 | 174.2 | 178.3 | 0 | 118.3 | ||||
| 387 | K | 29.7 | Very low | 31.9 | Very low | 195 Ų | 195 | 149.7 Ų | 149.7 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | 161.3 | 100 | 115.7 | -88.9 | 174.6 | 178.1 | -176.1 | 0 | 108.9 | |||||
| 388 | V | 27.3 | Very low | 32.3 | Very low | 123 Ų | 123 | 151.6 Ų | 151.6 | 75% | 0.745 | 82% | 0.815 | S | S | * | * | 57.7 | 107.5 | 86.4 | -163.4 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 389 | H | 31.2 | Very low | 32.1 | Very low | 166 Ų | 166 | 154.9 Ų | 154.9 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | 42.6 | 144.2 | 150.5 | -62.2 | -67.6 | 0 | 0 | 0 | 120.7 | ||||
| 390 | F | 27 | Very low | 32.4 | Very low | 195 Ų | 195 | 151.9 Ų | 151.9 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | -162.8 | 172.8 | 50.3 | -122.9 | -86.5 | 0 | 0 | 0 | 111.5 | |||||
| 391 | A | 33.4 | Very low | 33.2 | Very low | 98 Ų | 98 | 149.2 Ų | 149.2 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | -39 | 153.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 392 | G | 27.6 | Very low | 33.5 | Very low | 75 Ų | 75 | 144.2 Ų | 144.2 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | trans | 176.5 | 109.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 393 | E | 30.4 | Very low | 34.1 | Very low | 191 Ų | 191 | 144.4 Ų | 144.4 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -58.2 | 141 | 173.7 | -62.5 | 175.9 | 135.6 | 0 | 0 | 112.1 | ||||
| 394 | S | 27.9 | Very low | 33.6 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | -170.4 | 111.1 | 133.5 | -78.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 395 | K | 38.1 | Very low | 34.5 | Very low | 203 Ų | 203 | 152.5 Ų | 152.5 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | 3.9 | 128 | 156.2 | -62.5 | 174.4 | 177.5 | 176.2 | 0 | 117.9 | ||||
| 396 | E | 31.1 | Very low | 35.1 | Very low | 180 Ų | 180 | 146.8 Ų | 146.8 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | -171.8 | 132.1 | 107.1 | -102.8 | 177.1 | 175.2 | 0 | 0 | 113.2 | |||||
| 397 | N | 30.9 | Very low | 36 | Very low | 145 Ų | 145 | 141.9 Ų | 141.9 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | trans | 56.5 | 85.9 | 155.6 | -69.5 | -15.6 | 0 | 0 | 0 | 120.6 | ||||
| 398 | Q | 41.8 | Very low | 36.9 | Very low | 195 Ų | 195 | 139.5 Ų | 139.5 | 91% | 0.911 | 76% | 0.757 | S | S | * | * | trans | -83 | 130.5 | 138.2 | -71.6 | 176.3 | -4.2 | 0 | 0 | 109.2 | ||||
| 399 | Q | 37.1 | Very low | 38.1 | Very low | 185 Ų | 185 | 138 Ų | 138 | 86% | 0.864 | 75% | 0.745 | S | S | * | * | trans | -126.6 | 147.5 | 157.5 | -95.3 | -162.9 | -14.3 | 0 | 0 | 111.1 | ||||
| 400 | P | 39 | Very low | 39.1 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | trans | -102.1 | 153 | -146.9 | 8.3 | 14.1 | 0 | 0 | 0 | 112.3 | G402 | P400-G402 PolarHBondContact O-N 3.02Š| ||
| 401 | A | 46 | Very low | 40.6 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 88% | 0.884 | 73% | 0.727 | S | S | * | * | trans | -57.2 | 108.1 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 402 | G | 36.4 | Very low | 41.5 | Very low | 40 Ų | 40 | 136.2 Ų | 136.2 | 41% | 0.412 | 71% | 0.711 | S | S | . | * | trans | -106.5 | 169 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P400 Y404 | P400-G402 PolarHBondContact O-N 3.02Å; G402-Y404 PolarHBondContact O-N 3.06Å | ||
| 403 | P | 43.9 | Very low | 42.9 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 74% | 0.74 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | 8.4 | -168.9 | 30.7 | -38.9 | 0 | 0 | 0 | 115.7 | ||
| 404 | Y | 39.2 | Very low | 44.3 | Very low | 198 Ų | 198 | 132.8 Ų | 132.8 | 78% | 0.776 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -73.4 | -32.3 | 177.8 | -108.4 | -96.2 | 0 | 0 | 0 | 112.6 | G402 M408 | G402-Y404 PolarHBondContact O-N 3.06Å; Y404-M408 WeakPolarHBondContact O-CB 3.49Å; Y404-M408 PolarHBondContact O-N 3.47Å |
| 405 | Q | 44.3 | Very low | 45.7 | Very low | 157 Ų | 157 | 129.6 Ų | 129.6 | 73% | 0.734 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -69 | -39.6 | -178.3 | -137 | 120.3 | 2.9 | 0 | 0 | 111.8 | M408 L409 | Q405-M408 PolarHBondContact O-N 3.26Å; Q405-L409 WeakPolarHBondContact O-CB 3.33Å; Q405-L409 PolarHBondContact O-N 3.14Å |
| 406 | D | 45.3 | Very low | 46.5 | Very low | 85 Ų | 85 | 124.4 Ų | 124.4 | 46% | 0.455 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -69.9 | -38.9 | 178.6 | -168.6 | 51.7 | 0 | 0 | 0 | 111.9 | M408 L409 R410 | D406-M408 VanDerWaalsContact C-N 3.33Å; D406-M408 PolarHBondContact O-N 2.89Å; D406-L409 PolarHBondContact O-N 3.41Å; D406-R410 WeakPolarHBondContact O-CG 3.45Å; D406-R410 PolarHBondContact O-N 3.22Å; D406-R410 IonicContact OD2-CZ 2.86Å; D406-R410 IonicContact OD2-NE 3.68Å; D406-R410 PolarHBondContact OD2-NE 3.48Å; D406-R410 IonicContact OD2-NH2 3.95Å |
| 407 | L | 47.9 | Very low | 48 | Very low | 91 Ų | 91 | 120.8 Ų | 120.8 | 48% | 0.476 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -65.3 | -38.2 | 174.9 | -170.1 | 69.8 | 0 | 0 | 0 | 111.8 | R411 | L407-R411 WeakPolarHBondContact O-CB 3.46Å; L407-R411 WeakPolarHBondContact O-CG 3.49Å; L407-R411 PolarHBondContact O-N 3.25Å |
| 408 | M | 49 | Very low | 49.5 | Very low | 145 Ų | 145 | 122.1 Ų | 122.1 | 71% | 0.714 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -69.4 | -39.4 | 177.2 | -154.4 | 176.3 | -172.2 | 0 | 0 | 111.2 | Y404 Q405 D406 R411 L412 | Y404-M408 WeakPolarHBondContact O-CB 3.49Å; Y404-M408 PolarHBondContact O-N 3.47Å; Q405-M408 PolarHBondContact O-N 3.26Å; D406-M408 VanDerWaalsContact C-N 3.33Å; D406-M408 PolarHBondContact O-N 2.89Å; M408-R411 PolarHBondContact O-N 3.04Å; M408-L412 WeakPolarHBondContact O-CB 3.41Å; M408-L412 PolarHBondContact O-N 3.4Å |
| 409 | L | 52.1 | Low | 50.3 | Low | 92 Ų | 92 | 115.4 Ų | 115.4 | 48% | 0.482 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -63.9 | -43.9 | 175.7 | -163.4 | 70.5 | 0 | 0 | 0 | 111.7 | Q405 D406 R411 L412 Q413 | Q405-L409 WeakPolarHBondContact O-CB 3.33Å; Q405-L409 PolarHBondContact O-N 3.14Å; D406-L409 PolarHBondContact O-N 3.41Å; L409-R411 PolarHBondContact O-N 2.97Å; L409-L412 WeakPolarHBondContact O-CB 3.4Å; L409-L412 PolarHBondContact O-N 3.03Å; L409-Q413 WeakPolarHBondContact O-CG 3.43Å; L409-Q413 PolarHBondContact O-N 3.49Å |
| 410 | R | 53.3 | Low | 51.4 | Low | 151 Ų | 151 | 112.4 Ų | 112.4 | 57% | 0.57 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64 | -38.2 | 174.8 | -73.3 | -178.5 | -173 | -154.9 | -1 | 112.7 | D406 Q413 T414 | D406-R410 WeakPolarHBondContact O-CG 3.45Å; D406-R410 PolarHBondContact O-N 3.22Å; D406-R410 IonicContact OD2-CZ 2.86Å; D406-R410 IonicContact OD2-NE 3.68Å; D406-R410 PolarHBondContact OD2-NE 3.48Å; D406-R410 IonicContact OD2-NH2 3.95Å; R410-Q413 PolarHBondContact O-N 2.95Å; R410-T414 WeakPolarHBondContact O-CB 3.48Å; R410-T414 PolarHBondContact O-N 2.9Å; R410-T414 PolarHBondContact O-OG1 2.91Å |
| 411 | R | 57.1 | Low | 52.8 | Low | 181 Ų | 181 | 113.1 Ų | 113.1 | 68% | 0.683 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.2 | -40.5 | 174 | -80.3 | 179.9 | 168.2 | -174.6 | -1.4 | 111.6 | L407 M408 L409 T414 A415 | L407-R411 WeakPolarHBondContact O-CB 3.46Å; L407-R411 WeakPolarHBondContact O-CG 3.49Å; L407-R411 PolarHBondContact O-N 3.25Å; M408-R411 PolarHBondContact O-N 3.04Å; L409-R411 PolarHBondContact O-N 2.97Å; R411-T414 PolarHBondContact O-N 3.36Å; R411-A415 WeakPolarHBondContact O-CB 3.45Å; R411-A415 PolarHBondContact O-N 2.88Å |
| 412 | L | 53.3 | Low | 53.4 | Low | 90 Ų | 90 | 113.7 Ų | 113.7 | 47% | 0.471 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -64.4 | -44.9 | 176.3 | -160.8 | 84.2 | 0 | 0 | 0 | 111.3 | M408 L409 T414 A415 N416 | M408-L412 WeakPolarHBondContact O-CB 3.41Å; M408-L412 PolarHBondContact O-N 3.4Å; L409-L412 WeakPolarHBondContact O-CB 3.4Å; L409-L412 PolarHBondContact O-N 3.03Å; L412-T414 VanDerWaalsContact C-N 3.35Å; L412-T414 PolarHBondContact O-N 3.22Å; L412-A415 PolarHBondContact O-N 3.14Å; L412-N416 WeakPolarHBondContact O-CB 3.44Å; L412-N416 PolarHBondContact O-N 2.97Å |
| 413 | Q | 57.5 | Low | 54.5 | Low | 121 Ų | 121 | 114 Ų | 114 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.6 | -42.6 | 175.4 | -75.9 | 176.9 | -20.5 | 0 | 0 | 111.8 | L409 R410 A415 N416 L417 | L409-Q413 WeakPolarHBondContact O-CG 3.43Å; L409-Q413 PolarHBondContact O-N 3.49Å; R410-Q413 PolarHBondContact O-N 2.95Å; Q413-A415 PolarHBondContact O-N 3.42Å; Q413-N416 PolarHBondContact O-N 3.16Å; Q413-L417 PolarHBondContact O-N 3.38Å |
| 414 | T | 59.9 | Low | 55.4 | Low | 72 Ų | 72 | 114.4 Ų | 114.4 | 44% | 0.442 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.9 | -37.4 | 177.9 | -52.4 | 0 | 0 | 0 | 0 | 111.9 | R410 R411 L412 R418 | R410-T414 WeakPolarHBondContact O-CB 3.48Å; R410-T414 PolarHBondContact O-N 2.9Å; R410-T414 PolarHBondContact O-OG1 2.91Å; R411-T414 PolarHBondContact O-N 3.36Å; L412-T414 VanDerWaalsContact C-N 3.35Å; L412-T414 PolarHBondContact O-N 3.22Å; T414-R418 WeakPolarHBondContact O-CG 3.49Å; T414-R418 PolarHBondContact O-N 3.02Å; T414-R418 VanDerWaalsContact O-N 3.14Å |
| 415 | A | 55.7 | Low | 56.8 | Low | 53 Ų | 53 | 108.9 Ų | 108.9 | 44% | 0.438 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.7 | -42.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | R411 L412 Q413 L417 R418 A419 | R411-A415 WeakPolarHBondContact O-CB 3.45Å; R411-A415 PolarHBondContact O-N 2.88Å; L412-A415 PolarHBondContact O-N 3.14Å; Q413-A415 PolarHBondContact O-N 3.42Å; A415-L417 PolarHBondContact O-N 3.31Å; A415-R418 PolarHBondContact O-N 3.31Å; A415-A419 WeakPolarHBondContact O-CB 3.47Å; A415-A419 PolarHBondContact O-N 3.44Å |
| 416 | N | 56 | Low | 57.7 | Low | 94 Ų | 94 | 107 Ų | 107 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 175.3 | -82.5 | -14.3 | 0 | 0 | 0 | 112.1 | L412 Q413 R418 A419 Q420 | L412-N416 WeakPolarHBondContact O-CB 3.44Å; L412-N416 PolarHBondContact O-N 2.97Å; Q413-N416 PolarHBondContact O-N 3.16Å; N416-R418 VanDerWaalsContact C-N 3.3Å; N416-R418 PolarHBondContact O-N 3.01Å; N416-A419 PolarHBondContact O-N 2.97Å; N416-Q420 WeakPolarHBondContact O-CG 3.45Å; N416-Q420 PolarHBondContact O-N 3.45Å |
| 417 | L | 61.9 | Low | 58.5 | Low | 104 Ų | 104 | 109.4 Ų | 109.4 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 176.6 | -143.9 | 85.7 | 0 | 0 | 0 | 112 | Q413 A415 K421 | Q413-L417 PolarHBondContact O-N 3.38Å; A415-L417 PolarHBondContact O-N 3.31Å; L417-K421 WeakPolarHBondContact O-CG 3.4Å; L417-K421 PolarHBondContact O-N 2.91Å; L417-K421 VanDerWaalsContact O-N 3.08Å |
| 418 | R | 63.1 | Low | 59.5 | Low | 173 Ų | 173 | 109.4 Ų | 109.4 | 65% | 0.653 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -70.3 | -40.5 | 174.7 | -73.6 | 176.8 | -176.1 | 176.9 | 1.5 | 112 | T414 A415 N416 Q420 K421 L422 | T414-R418 WeakPolarHBondContact O-CG 3.49Å; T414-R418 PolarHBondContact O-N 3.02Å; T414-R418 VanDerWaalsContact O-N 3.14Å; A415-R418 PolarHBondContact O-N 3.31Å; N416-R418 VanDerWaalsContact C-N 3.3Å; N416-R418 PolarHBondContact O-N 3.01Å; R418-Q420 VanDerWaalsContact C-N 3.34Å; R418-K421 PolarHBondContact O-N 3.15Å; R418-L422 WeakPolarHBondContact O-CB 3.42Å; R418-L422 WeakPolarHBondContact O-CG 3.44Å; R418-L422 PolarHBondContact O-N 3.03Å |
| 419 | A | 59.3 | Low | 59.8 | Low | 54 Ų | 54 | 106.1 Ų | 106.1 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -40.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A415 N416 L422 S423 | A415-A419 WeakPolarHBondContact O-CB 3.47Å; A415-A419 PolarHBondContact O-N 3.44Å; N416-A419 PolarHBondContact O-N 2.97Å; A419-L422 PolarHBondContact O-N 3.41Å; A419-S423 WeakPolarHBondContact O-CB 3.41Å; A419-S423 PolarHBondContact O-N 3.41Å |
| 420 | Q | 60.1 | Low | 59.8 | Low | 122 Ų | 122 | 106.5 Ų | 106.5 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.5 | -46.1 | 173.8 | -77.1 | 178.3 | -19 | 0 | 0 | 111.9 | N416 R418 L422 S423 E424 | N416-Q420 WeakPolarHBondContact O-CG 3.45Å; N416-Q420 PolarHBondContact O-N 3.45Å; R418-Q420 VanDerWaalsContact C-N 3.34Å; Q420-L422 VanDerWaalsContact C-N 3.33Å; Q420-L422 PolarHBondContact O-N 2.93Å; Q420-S423 PolarHBondContact O-N 3.23Å; Q420-E424 WeakPolarHBondContact O-CG 3.4Å; Q420-E424 PolarHBondContact O-N 2.98Å |
| 421 | K | 66.5 | Low | 59.6 | Low | 132 Ų | 132 | 105.8 Ų | 105.8 | 57% | 0.574 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.5 | -39.4 | 174.9 | -78 | -173.7 | 176.4 | -173.4 | 0 | 112.8 | L417 R418 E424 V425 | L417-K421 WeakPolarHBondContact O-CG 3.4Å; L417-K421 PolarHBondContact O-N 2.91Å; L417-K421 VanDerWaalsContact O-N 3.08Å; R418-K421 PolarHBondContact O-N 3.15Å; K421-E424 PolarHBondContact O-N 3.37Å; K421-V425 VanDerWaalsContact O-CG2 3.27Å; K421-V425 WeakPolarHBondContact O-CG2 3.5Å; K421-V425 PolarHBondContact O-N 3.41Å |
| 422 | L | 59.3 | Low | 59.2 | Low | 118 Ų | 118 | 103 Ų | 103 | 62% | 0.618 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.6 | -40.3 | 175.4 | -78.5 | 164.5 | 0 | 0 | 0 | 111.6 | R418 A419 Q420 E424 V425 E426 | R418-L422 WeakPolarHBondContact O-CB 3.42Å; R418-L422 WeakPolarHBondContact O-CG 3.44Å; R418-L422 PolarHBondContact O-N 3.03Å; A419-L422 PolarHBondContact O-N 3.41Å; Q420-L422 VanDerWaalsContact C-N 3.33Å; Q420-L422 PolarHBondContact O-N 2.93Å; L422-E424 VanDerWaalsContact C-N 3.34Å; L422-E424 PolarHBondContact O-N 3.17Å; L422-V425 PolarHBondContact O-N 2.77Å; L422-E426 VanDerWaalsContact O-CB 3.31Å; L422-E426 WeakPolarHBondContact O-CB 3.41Å; L422-E426 PolarHBondContact O-N 3.15Å |
| 423 | S | 59.4 | Low | 58.8 | Low | 48 Ų | 48 | 101.5 Ų | 101.5 | 34% | 0.336 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.5 | -36.8 | 173.9 | -175 | 0 | 0 | 0 | 0 | 112.2 | A419 Q420 E426 K427 | A419-S423 WeakPolarHBondContact O-CB 3.41Å; A419-S423 PolarHBondContact O-N 3.41Å; Q420-S423 PolarHBondContact O-N 3.23Å; S423-E426 PolarHBondContact O-N 2.75Å; S423-K427 WeakPolarHBondContact O-CB 3.25Å; S423-K427 VanDerWaalsContact O-CG 3.26Å; S423-K427 WeakPolarHBondContact O-CG 3.29Å; S423-K427 PolarHBondContact O-N 3.29Å |
| 424 | E | 64.1 | Low | 58.2 | Low | 121 Ų | 121 | 103.5 Ų | 103.5 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.8 | -43.1 | 172.6 | -76.4 | -177.8 | 166.5 | 0 | 0 | 112 | Q420 K421 L422 E426 K427 I428 | Q420-E424 WeakPolarHBondContact O-CG 3.4Å; Q420-E424 PolarHBondContact O-N 2.98Å; K421-E424 PolarHBondContact O-N 3.37Å; L422-E424 VanDerWaalsContact C-N 3.34Å; L422-E424 PolarHBondContact O-N 3.17Å; E424-E426 VanDerWaalsContact C-N 3.3Å; E424-E426 PolarHBondContact O-N 3.48Å; E424-K427 PolarHBondContact O-N 2.91Å; E424-I428 WeakPolarHBondContact O-CB 3.45Å; E424-I428 WeakPolarHBondContact O-CD1 3.48Å; E424-I428 WeakPolarHBondContact O-CG1 3.47Å; E424-I428 PolarHBondContact O-N 3.49Å |
| 425 | V | 67.6 | Low | 57.6 | Low | 82 Ų | 82 | 106.6 Ų | 106.6 | 50% | 0.497 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 174.2 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | K421 L422 I428 C429 | K421-V425 VanDerWaalsContact O-CG2 3.27Å; K421-V425 WeakPolarHBondContact O-CG2 3.5Å; K421-V425 PolarHBondContact O-N 3.41Å; L422-V425 PolarHBondContact O-N 2.77Å; V425-I428 PolarHBondContact O-N 2.95Å; V425-C429 WeakPolarHBondContact O-CB 3.44Å; V425-C429 PolarHBondContact O-N 3.46Å; V425-C429 PolarHBondContact O-SG 2.89Å; V425-C429 VanDerWaalsContact O-SG 3.35Å |
| 426 | E | 63.7 | Low | 57 | Low | 117 Ų | 117 | 111 Ų | 111 | 55% | 0.547 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.2 | -40.2 | 176.9 | -165.3 | 174.4 | -160 | 0 | 0 | 111.5 | L422 S423 E424 C429 Q430 | L422-E426 VanDerWaalsContact O-CB 3.31Å; L422-E426 WeakPolarHBondContact O-CB 3.41Å; L422-E426 PolarHBondContact O-N 3.15Å; S423-E426 PolarHBondContact O-N 2.75Å; E424-E426 VanDerWaalsContact C-N 3.3Å; E424-E426 PolarHBondContact O-N 3.48Å; E426-C429 PolarHBondContact O-N 3.39Å; E426-Q430 WeakPolarHBondContact O-CB 3.49Å; E426-Q430 VanDerWaalsContact O-CG 3.3Å; E426-Q430 WeakPolarHBondContact O-CG 3.5Å; E426-Q430 PolarHBondContact O-N 3.49Å |
| 427 | K | 61.6 | Low | 56.2 | Low | 136 Ų | 136 | 111.9 Ų | 111.9 | 59% | 0.591 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.9 | -40 | 171.3 | -77.1 | 174.8 | -175.9 | 178.3 | 0 | 112.1 | S423 E424 Q430 F431 | S423-K427 WeakPolarHBondContact O-CB 3.25Å; S423-K427 VanDerWaalsContact O-CG 3.26Å; S423-K427 WeakPolarHBondContact O-CG 3.29Å; S423-K427 PolarHBondContact O-N 3.29Å; E424-K427 PolarHBondContact O-N 2.91Å; K427-Q430 PolarHBondContact O-N 3.24Å; K427-F431 WeakPolarHBondContact O-CB 3.49Å; K427-F431 PolarHBondContact O-N 2.91Å |
| 428 | I | 68.3 | Low | 55.4 | Low | 92 Ų | 92 | 110.2 Ų | 110.2 | 47% | 0.472 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.7 | -41.1 | 175.7 | -70.2 | 163.2 | 0 | 0 | 0 | 110.1 | E424 V425 F431 K432 | E424-I428 WeakPolarHBondContact O-CB 3.45Å; E424-I428 WeakPolarHBondContact O-CD1 3.48Å; E424-I428 WeakPolarHBondContact O-CG1 3.47Å; E424-I428 PolarHBondContact O-N 3.49Å; V425-I428 PolarHBondContact O-N 2.95Å; I428-F431 PolarHBondContact O-N 3.16Å; I428-K432 HydrophobicContact CG2-CD 4.2Å; I428-K432 VanDerWaalsContact O-CB 3.29Å; I428-K432 WeakPolarHBondContact O-CB 3.31Å; I428-K432 VanDerWaalsContact O-CG 3.28Å; I428-K432 WeakPolarHBondContact O-CG 3.42Å; I428-K432 PolarHBondContact O-N 2.95Å |
| 429 | C | 55.7 | Low | 54.5 | Low | 76 Ų | 76 | 107.9 Ų | 107.9 | 51% | 0.514 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.4 | -39.8 | 174.6 | -76.9 | 0 | 0 | 0 | 0 | 111.8 | V425 E426 S433 | V425-C429 WeakPolarHBondContact O-CB 3.44Å; V425-C429 PolarHBondContact O-N 3.46Å; V425-C429 PolarHBondContact O-SG 2.89Å; V425-C429 VanDerWaalsContact O-SG 3.35Å; E426-C429 PolarHBondContact O-N 3.39Å; C429-S433 WeakPolarHBondContact O-CB 3.37Å; C429-S433 PolarHBondContact O-N 3.32Å |
| 430 | Q | 53.3 | Low | 53.6 | Low | 100 Ų | 100 | 120.2 Ų | 120.2 | 47% | 0.467 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -68.4 | -37.9 | 173.8 | -77 | -178.6 | 4.6 | 0 | 0 | 111.9 | E426 K427 S433 R434 | E426-Q430 WeakPolarHBondContact O-CB 3.49Å; E426-Q430 VanDerWaalsContact O-CG 3.3Å; E426-Q430 WeakPolarHBondContact O-CG 3.5Å; E426-Q430 PolarHBondContact O-N 3.49Å; K427-Q430 PolarHBondContact O-N 3.24Å; Q430-S433 PolarHBondContact O-N 3.03Å; Q430-R434 WeakPolarHBondContact O-CB 3.44Å; Q430-R434 VanDerWaalsContact O-CG 3.29Å; Q430-R434 WeakPolarHBondContact O-CG 3.36Å; Q430-R434 PolarHBondContact O-N 2.95Å |
| 431 | F | 47.3 | Very low | 53.3 | Low | 135 Ų | 135 | 120.2 Ų | 120.2 | 59% | 0.592 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.3 | -40.9 | 177.3 | -161.1 | -90.5 | 0 | 0 | 0 | 111.3 | K427 I428 R434 Q435 | K427-F431 WeakPolarHBondContact O-CB 3.49Å; K427-F431 PolarHBondContact O-N 2.91Å; I428-F431 PolarHBondContact O-N 3.16Å; F431-R434 PolarHBondContact O-N 3.34Å; F431-Q435 HydrophobicContact CD1-CG 4.25Å; F431-Q435 HydrophobicContact CE1-CG 4.12Å; F431-Q435 WeakPolarHBondContact O-CB 3.39Å; F431-Q435 PolarHBondContact O-N 2.94Å |
| 432 | K | 49.8 | Very low | 52.6 | Low | 122 Ų | 122 | 119.5 Ų | 119.5 | 53% | 0.53 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.9 | -41 | 170.2 | -75.7 | -178.3 | 177.2 | -174.7 | 0 | 111.3 | I428 Q435 I436 | I428-K432 HydrophobicContact CG2-CD 4.2Å; I428-K432 VanDerWaalsContact O-CB 3.29Å; I428-K432 WeakPolarHBondContact O-CB 3.31Å; I428-K432 VanDerWaalsContact O-CG 3.28Å; I428-K432 WeakPolarHBondContact O-CG 3.42Å; I428-K432 PolarHBondContact O-N 2.95Å; K432-Q435 PolarHBondContact O-N 3.47Å; K432-I436 VanDerWaalsContact O-CB 3.29Å; K432-I436 WeakPolarHBondContact O-CB 3.48Å; K432-I436 VanDerWaalsContact O-CD1 3.32Å; K432-I436 WeakPolarHBondContact O-CD1 3.42Å; K432-I436 WeakPolarHBondContact O-CG1 3.4Å; K432-I436 PolarHBondContact O-N 3.46Å |
| 433 | S | 43.8 | Very low | 52.3 | Low | 59 Ų | 59 | 119.6 Ų | 119.6 | 41% | 0.413 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.9 | -42.4 | 173.9 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | C429 Q430 I436 L437 | C429-S433 WeakPolarHBondContact O-CB 3.37Å; C429-S433 PolarHBondContact O-N 3.32Å; Q430-S433 PolarHBondContact O-N 3.03Å; S433-I436 PolarHBondContact O-N 3.4Å; S433-L437 VanDerWaalsContact O-CB 3.29Å; S433-L437 WeakPolarHBondContact O-CB 3.38Å; S433-L437 WeakPolarHBondContact O-CD1 3.46Å; S433-L437 WeakPolarHBondContact O-CG 3.4Å; S433-L437 PolarHBondContact O-N 3.06Å |
| 434 | R | 46.4 | Very low | 51.8 | Low | 163 Ų | 163 | 123.8 Ų | 123.8 | 62% | 0.615 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.2 | -37.8 | 174.9 | -73.7 | 178.8 | -174.9 | -159.6 | 2.5 | 113.4 | Q430 F431 L437 G438 | Q430-R434 WeakPolarHBondContact O-CB 3.44Å; Q430-R434 VanDerWaalsContact O-CG 3.29Å; Q430-R434 WeakPolarHBondContact O-CG 3.36Å; Q430-R434 PolarHBondContact O-N 2.95Å; F431-R434 PolarHBondContact O-N 3.34Å; R434-L437 PolarHBondContact O-N 3.32Å; R434-G438 PolarHBondContact O-N 2.83Å; R434-G438 VanDerWaalsContact O-N 3.16Å |
| 435 | Q | 45.9 | Very low | 51.1 | Low | 137 Ų | 137 | 124 Ų | 124 | 64% | 0.64 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -66.3 | -38 | 172.4 | -85.3 | -174.5 | -37.5 | 0 | 0 | 112.2 | F431 K432 L437 | F431-Q435 HydrophobicContact CD1-CG 4.25Å; F431-Q435 HydrophobicContact CE1-CG 4.12Å; F431-Q435 WeakPolarHBondContact O-CB 3.39Å; F431-Q435 PolarHBondContact O-N 2.94Å; K432-Q435 PolarHBondContact O-N 3.47Å; Q435-L437 VanDerWaalsContact C-N 3.33Å |
| 436 | I | 44.8 | Very low | 50 | Low | 145 Ų | 145 | 126.8 Ų | 126.8 | 74% | 0.744 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -70.3 | -30.7 | 175.5 | -69.8 | 164.4 | 0 | 0 | 0 | 111.1 | K432 S433 | K432-I436 VanDerWaalsContact O-CB 3.29Å; K432-I436 WeakPolarHBondContact O-CB 3.48Å; K432-I436 VanDerWaalsContact O-CD1 3.32Å; K432-I436 WeakPolarHBondContact O-CD1 3.42Å; K432-I436 WeakPolarHBondContact O-CG1 3.4Å; K432-I436 PolarHBondContact O-N 3.46Å; S433-I436 PolarHBondContact O-N 3.4Å |
| 437 | L | 39.4 | Very low | 49 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 60% | 0.597 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -2.3 | 179.2 | -71 | 167.5 | 0 | 0 | 0 | 114.7 | S433 R434 Q435 I439 | S433-L437 VanDerWaalsContact O-CB 3.29Å; S433-L437 WeakPolarHBondContact O-CB 3.38Å; S433-L437 WeakPolarHBondContact O-CD1 3.46Å; S433-L437 WeakPolarHBondContact O-CG 3.4Å; S433-L437 PolarHBondContact O-N 3.06Å; R434-L437 PolarHBondContact O-N 3.32Å; Q435-L437 VanDerWaalsContact C-N 3.33Å; L437-I439 HydrophobicContact CB-CD1 4.45Å; L437-I439 HydrophobicContact CB-CG1 4.4Å; L437-I439 PolarHBondContact O-N 3.04Å; L437-I439 VanDerWaalsContact O-N 3.13Å |
| 438 | G | 44.9 | Very low | 48 | Very low | 68 Ų | 68 | 126.8 Ų | 126.8 | 70% | 0.701 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.5 | 23.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R434 | R434-G438 PolarHBondContact O-N 2.83Å; R434-G438 VanDerWaalsContact O-N 3.16Å |
| 439 | I | 43.8 | Very low | 46.3 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | trans | -91.5 | 109.3 | 177.2 | -56.7 | 176.1 | 0 | 0 | 0 | 107.7 | L437 | L437-I439 HydrophobicContact CB-CD1 4.45Å; L437-I439 HydrophobicContact CB-CG1 4.4Å; L437-I439 PolarHBondContact O-N 3.04Å; L437-I439 VanDerWaalsContact O-N 3.13Å | ||
| 440 | R | 40.8 | Very low | 45.5 | Very low | 314 Ų | 314 | 134.6 Ų | 134.6 | 100% | 1.185 | 65% | 0.647 | S | S | * | * | trans | -73.4 | 0 | 161.2 | -89.4 | -171.1 | 176.4 | -176.1 | 0 | 110 |
Retrieved 440 of 440 residues in 109.4 ms
(Link to these results)