| 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 | 35.2 | Very low | 70 | Confident | 233 Ų | 233 | 100.6 Ų | 100.6 | 100% | 1.148 | 52% | 0.523 | S | S | * | . | 0 | 129.7 | 0 | -64.9 | -173.2 | 110.7 | 0 | 0 | 107.3 | L3 | M1-L3 PolarHBondContact O-N 3.19Š| |||
| 2 | P | 39.5 | Very low | 72.3 | Confident | 128 Ų | 128 | 92.3 Ų | 92.3 | 83% | 0.831 | 48% | 0.479 | S | S | * | . | trans | -63.8 | 134.3 | 173.1 | 26.5 | -30.1 | 0 | 0 | 0 | 108.9 | E4 | P2-E4 PolarHBondContact O-N 2.8Š| ||
| 3 | L | 38.5 | Very low | 74.2 | Confident | 166 Ų | 166 | 87.2 Ų | 87.2 | 87% | 0.869 | 45% | 0.45 | S | S | * | . | trans | -60.9 | 115.2 | 171.8 | -82.8 | 112 | 0 | 0 | 0 | 108.2 | M1 V5 | M1-L3 PolarHBondContact O-N 3.19Å; L3-V5 PolarHBondContact O-N 2.9Å | ||
| 4 | E | 47.3 | Very low | 75.8 | Confident | 187 Ų | 187 | 80.9 Ų | 80.9 | 87% | 0.874 | 42% | 0.418 | S | S | * | . | trans | -61.6 | 107.5 | 170.2 | -86.1 | -177 | 150.8 | 0 | 0 | 109.1 | P2 K6 | P2-E4 PolarHBondContact O-N 2.8Å; E4-K6 PolarHBondContact O-N 3.19Å; E4-K6 VanDerWaalsContact O-N 3.08Å | ||
| 5 | V | 64.1 | Low | 76.7 | Confident | 138 Ų | 138 | 76.1 Ų | 76.1 | 84% | 0.836 | 39% | 0.394 | S | S | * | . | trans | -73.8 | 100.1 | 173.2 | -177.5 | 0 | 0 | 0 | 0 | 107.3 | L3 | L3-V5 PolarHBondContact O-N 2.9Š| ||
| 6 | K | 78.5 | Confident | 77.2 | Confident | 101 Ų | 101 | 75.1 Ų | 75.1 | 44% | 0.439 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 135.9 | 176.7 | -69.2 | -176.4 | -178.9 | -176.6 | 0 | 110.1 | E4 R8 V37 | E4-K6 PolarHBondContact O-N 3.19Å; E4-K6 VanDerWaalsContact O-N 3.08Å; K6-R8 PolarHBondContact O-N 2.91Å; K6-V37 HydrophobicContact CB-CG2 3.58Å; K6-V37 HydrophobicContact CD-CG2 4.16Å |
| 7 | P | 86.4 | Confident | 77.2 | Confident | 60 Ų | 60 | 80.6 Ų | 80.6 | 39% | 0.39 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 134.2 | 178.8 | -0.5 | 1.2 | 0 | 0 | 0 | 111.9 | L36 V37 L159 | P7-L36 HydrophobicContact CB-CD2 4.14Å; P7-L36 HydrophobicContact CG-CD2 4.07Å; P7-V37 PolarHBondContact O-N 2.89Å; P7-L159 HydrophobicContact CB-CD1 3.53Å; P7-L159 HydrophobicContact CB-CD2 4.24Å; P7-L159 HydrophobicContact CB-CG 4.41Å; P7-L159 HydrophobicContact CG-CD1 4.3Å |
| 8 | R | 93 | Very high | 77.1 | Confident | 90 Ų | 90 | 77.6 Ų | 77.6 | 34% | 0.34 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 151.3 | -179.6 | 80.3 | 170.4 | -177.6 | 99.9 | 13.9 | 113.6 | K6 V37 E39 E54 A56 | K6-R8 PolarHBondContact O-N 2.91Å; R8-V37 CarbonylContact C-O 3.52Å; R8-V37 WeakPolarHBondContact CA-O 3.31Å; R8-V37 HydrophobicContact CB-CB 4.39Å; R8-E39 WeakPolarHBondContact CD-OE1 3.33Å; R8-E39 IonicContact CZ-OE2 2.69Å; R8-E39 IonicContact NH1-OE1 3.27Å; R8-E39 IonicContact NH1-OE2 3.24Å; R8-E39 PolarHBondContact NH1-OE2 3.12Å; R8-E54 IonicContact CZ-OE1 2.64Å; R8-E54 IonicContact CZ-OE2 3.41Å; R8-E54 IonicContact NH1-OE1 2.72Å; R8-E54 PolarHBondContact NH1-OE1 3.49Å; R8-E54 IonicContact NH1-OE2 2.65Å; R8-E54 PolarHBondContact NH1-OE2 3.43Å; R8-E54 VanDerWaalsContact NH1-OE2 3.11Å; R8-E54 IonicContact NH2-OE1 3.99Å; R8-E54 PolarHBondContact NH2-OE1 2.69Å; R8-E54 IonicContact NH2-OE2 2.71Å; R8-A56 HydrophobicContact CG-CB 4.17Å |
| 9 | F | 95.1 | Very high | 77.4 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 161.2 | 167.3 | 76 | -79.1 | 0 | 0 | 0 | 110.3 | V11 I27 A31 L36 V37 A38 E39 P57 V59 W152 I155 | F9-V11 HydrophobicContact CD2-CG2 3.98Å; F9-V11 HydrophobicContact CE2-CG2 3.37Å; F9-V11 HydrophobicContact CZ-CG2 4.1Å; F9-I27 HydrophobicContact CE2-CG2 4.05Å; F9-I27 HydrophobicContact CZ-CG2 4.04Å; F9-A31 HydrophobicContact CE1-CB 3.73Å; F9-A31 HydrophobicContact CZ-CB 3.98Å; F9-L36 HydrophobicContact CD1-CB 4.19Å; F9-L36 HydrophobicContact CE1-CB 3.94Å; F9-L36 HydrophobicContact CE1-CD1 4.34Å; F9-V37 WeakPolarHBondContact CD1-O 3.4Å; F9-V37 PolarHBondContact N-O 3.34Å; F9-A38 HydrophobicContact CD1-CB 4.34Å; F9-A38 HydrophobicContact CE1-CB 3.64Å; F9-A38 HydrophobicContact CE2-CB 4.18Å; F9-A38 HydrophobicContact CZ-CB 3.55Å; F9-A38 CarbonylContact O-C 3.55Å; F9-A38 WeakPolarHBondContact O-CA 3.36Å; F9-E39 PolarHBondContact O-N 3.01Å; F9-P57 WeakPolarHBondContact CA-O 3.43Å; F9-P57 HydrophobicContact CB-CB 4.33Å; F9-P57 WeakPolarHBondContact CB-O 3.33Å; F9-V59 HydrophobicContact CD2-CG2 3.93Å; F9-V59 HydrophobicContact CE2-CG2 4.01Å; F9-W152 HydrophobicContact CZ-CZ3 4.15Å; F9-I155 HydrophobicContact CB-CG2 4.34Å; F9-I155 HydrophobicContact CD1-CG2 4.3Å; F9-I155 HydrophobicContact CD2-CD1 3.98Å; F9-I155 HydrophobicContact CE1-CD1 4.34Å; F9-I155 HydrophobicContact CE2-CD1 3.77Å; F9-I155 HydrophobicContact CG-CD1 4.33Å; F9-I155 HydrophobicContact CG-CG2 4.29Å; F9-I155 HydrophobicContact CZ-CD1 3.97Å |
| 10 | V | 95.8 | Very high | 78.1 | Confident | 4 Ų | 4 | 73.9 Ų | 73.9 | 2% | 0.024 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 138.9 | -177.1 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | L12 E39 E54 P57 V58 V59 | V10-L12 HydrophobicContact CG1-CD2 3.85Å; V10-L12 HydrophobicContact CG1-CG 4.02Å; V10-E39 CarbonylContact C-O 3.59Å; V10-E39 WeakPolarHBondContact CA-O 3.42Å; V10-E39 HydrophobicContact CG2-CB 4.39Å; V10-E54 HydrophobicContact CG2-CG 4.19Å; V10-E54 WeakPolarHBondContact CG2-OE2 3.04Å; V10-P57 PolarHBondContact N-O 2.82Å; V10-V58 HydrophobicContact CB-CG1 4.45Å; V10-V58 HydrophobicContact CB-CG2 4.29Å; V10-V58 CarbonylContact O-C 3.45Å; V10-V58 WeakPolarHBondContact O-CA 3.46Å; V10-V59 PolarHBondContact O-N 3.29Å |
| 11 | V | 97.1 | Very high | 78.5 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 117.3 | 172.3 | -172.9 | 0 | 0 | 0 | 0 | 109 | F9 A24 I27 A38 E39 L40 C41 V59 V61 | F9-V11 HydrophobicContact CD2-CG2 3.98Å; F9-V11 HydrophobicContact CE2-CG2 3.37Å; F9-V11 HydrophobicContact CZ-CG2 4.1Å; V11-A24 HydrophobicContact CG1-CB 3.74Å; V11-I27 HydrophobicContact CG2-CG2 3.92Å; V11-A38 HydrophobicContact CG2-CB 4.17Å; V11-E39 PolarHBondContact N-O 3.21Å; V11-L40 HydrophobicContact CB-CD1 3.96Å; V11-L40 HydrophobicContact CG1-CD1 3.88Å; V11-L40 WeakPolarHBondContact O-CA 3.37Å; V11-C41 PolarHBondContact O-N 3.33Å; V11-V59 CarbonylContact C-O 3.59Å; V11-V59 WeakPolarHBondContact CA-O 3.37Å; V11-V59 HydrophobicContact CG2-CB 4.45Å; V11-V61 HydrophobicContact CG1-CG2 4.3Å |
| 12 | L | 97.4 | Very high | 80.5 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 129.9 | 177.8 | -62.3 | -178.5 | 0 | 0 | 0 | 110.3 | V10 C41 L43 Y49 L51 V58 V59 F60 V61 | V10-L12 HydrophobicContact CG1-CD2 3.85Å; V10-L12 HydrophobicContact CG1-CG 4.02Å; L12-C41 WeakPolarHBondContact CA-O 3.23Å; L12-C41 HydrophobicContact CD2-CB 3.67Å; L12-L43 HydrophobicContact CB-CD2 3.84Å; L12-L43 HydrophobicContact CB-CG 4.3Å; L12-L43 HydrophobicContact CD1-CD2 4.01Å; L12-L43 HydrophobicContact CG-CD2 4.44Å; L12-Y49 HydrophobicContact CD1-CD2 3.86Å; L12-Y49 HydrophobicContact CD1-CE2 3.77Å; L12-Y49 HydrophobicContact CD2-CD1 3.96Å; L12-Y49 HydrophobicContact CD2-CD2 3.89Å; L12-Y49 HydrophobicContact CD2-CE1 4.31Å; L12-Y49 HydrophobicContact CD2-CE2 4.22Å; L12-Y49 HydrophobicContact CD2-CG 3.75Å; L12-L51 HydrophobicContact CD1-CD1 4.3Å; L12-L51 HydrophobicContact CD1-CD2 3.88Å; L12-L51 HydrophobicContact CD1-CG 4.33Å; L12-V58 HydrophobicContact CD1-CG1 3.89Å; L12-V58 HydrophobicContact CG-CG1 4.09Å; L12-V59 PolarHBondContact N-O 3.03Å; L12-F60 HydrophobicContact CB-CD1 4Å; L12-F60 HydrophobicContact CB-CE1 4.19Å; L12-F60 HydrophobicContact CD1-CD1 4.28Å; L12-F60 HydrophobicContact CD1-CE1 3.61Å; L12-F60 HydrophobicContact CD1-CZ 4.04Å; L12-F60 HydrophobicContact CG-CE1 4.47Å; L12-F60 CarbonylContact O-C 3.56Å; L12-F60 WeakPolarHBondContact O-CA 3.28Å; L12-V61 PolarHBondContact O-N 3.5Å |
| 13 | Y | 96.9 | Very high | 82.7 | Confident | 26 Ų | 26 | 59.6 Ų | 59.6 | 10% | 0.102 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 149.2 | 178.4 | 73.7 | -93.4 | 0 | 0 | 0 | 114.5 | Q21 A24 L40 C41 C42 L43 V61 | Y13-Q21 HydrophobicContact CD2-CB 3.7Å; Y13-Q21 HydrophobicContact CD2-CG 4.09Å; Y13-Q21 HydrophobicContact CE1-CG 4.22Å; Y13-Q21 HydrophobicContact CE2-CB 3.66Å; Y13-Q21 HydrophobicContact CE2-CG 3.64Å; Y13-Q21 HydrophobicContact CG-CB 4.32Å; Y13-A24 HydrophobicContact CD1-CB 4.16Å; Y13-A24 HydrophobicContact CG-CB 4.23Å; Y13-L40 HydrophobicContact CD1-CD1 3.78Å; Y13-L40 HydrophobicContact CD1-CG 4.38Å; Y13-L40 HydrophobicContact CE1-CD1 4.19Å; Y13-L40 HydrophobicContact CE1-CG 4.31Å; Y13-C41 VanDerWaalsContact CD1-O 3.28Å; Y13-C41 WeakPolarHBondContact CD1-O 3.08Å; Y13-C41 PolarHBondContact N-O 3.08Å; Y13-C41 VanDerWaalsContact N-O 3.08Å; Y13-C42 HydrophobicContact CE1-CB 3.99Å; Y13-C42 HydrophobicContact CE2-CB 3.95Å; Y13-L43 WeakPolarHBondContact O-CG 3.22Å; Y13-L43 PolarHBondContact O-N 2.88Å; Y13-V61 CarbonylContact C-O 3.32Å; Y13-V61 WeakPolarHBondContact CA-O 3.41Å; Y13-V61 WeakPolarHBondContact CB-O 3.4Å |
| 14 | G | 95.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 119.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | A20 V61 V62 S63 | G14-A20 WeakPolarHBondContact O-CB 3.09Å; G14-V61 PolarHBondContact N-O 2.89Å; G14-V62 WeakPolarHBondContact O-CA 3.43Å; G14-S63 PolarHBondContact O-N 3.4Å; G14-S63 PolarHBondContact O-OG 3.21Å |
| 15 | S | 90.4 | Very high | 87 | Confident | 8 Ų | 8 | 45 Ų | 45 | 6% | 0.056 | 23% | 0.23 | C | C | . | . | trans | -144.7 | 131.8 | -172.8 | -157.5 | 0 | 0 | 0 | 0 | 113.3 | G18 Q19 A20 S63 N73 | S15-G18 VanDerWaalsContact OG-CA 3.27Å; S15-G18 WeakPolarHBondContact OG-CA 3.22Å; S15-G18 PolarHBondContact OG-N 2.99Å; S15-G18 VanDerWaalsContact OG-N 3.07Å; S15-Q19 PolarHBondContact OG-N 3.2Å; S15-A20 PolarHBondContact OG-N 3.11Å; S15-S63 WeakPolarHBondContact CA-OG 3.5Å; S15-N73 PolarHBondContact N-ND2 3.19Å; S15-N73 PolarHBondContact N-OD1 3.33Å; S15-N73 VanDerWaalsContact O-CG 3.28Å; S15-N73 PolarHBondContact O-ND2 3.09Å; S15-N73 PolarHBondContact O-OD1 3.48Å | ||
| 16 | Q | 83.8 | Confident | 87.7 | Confident | 61 Ų | 61 | 39.5 Ų | 39.5 | 29% | 0.285 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -84.7 | -48 | 173.2 | -165.6 | 67.2 | 25.3 | 0 | 0 | 112.6 | S63 T65 P71 D72 | Q16-S63 PolarHBondContact N-OG 3.43Å; Q16-T65 HydrophobicContact CB-CG2 3.51Å; Q16-T65 HydrophobicContact CG-CG2 3.75Å; Q16-P71 HydrophobicContact CB-CB 4.04Å; Q16-D72 PolarHBondContact NE2-OD2 3.33Å |
| 17 | K | 76.9 | Confident | 88.3 | Confident | 169 Ų | 169 | 34.7 Ų | 34.7 | 74% | 0.735 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -110.4 | 14 | -174.4 | -64.2 | -177 | 180 | 177.6 | 0 | 113.3 | Q19 | K17-Q19 PolarHBondContact O-N 3.03Š|
| 18 | G | 76.8 | Confident | 88.4 | Confident | 26 Ų | 26 | 32.1 Ų | 32.1 | 27% | 0.268 | 16% | 0.163 | S | C | . | . | S | Bend | trans | 82.3 | -3.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | S15 Q21 S22 | S15-G18 VanDerWaalsContact OG-CA 3.27Å; S15-G18 WeakPolarHBondContact OG-CA 3.22Å; S15-G18 PolarHBondContact OG-N 2.99Å; S15-G18 VanDerWaalsContact OG-N 3.07Å; G18-Q21 PolarHBondContact O-N 3.04Å; G18-S22 WeakPolarHBondContact O-CB 3.33Å; G18-S22 PolarHBondContact O-N 3.31Å |
| 19 | Q | 82.3 | Confident | 87.9 | Confident | 81 Ų | 81 | 30.7 Ų | 30.7 | 38% | 0.379 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -64.6 | -53.6 | -179.8 | -65.2 | -63.9 | -3.9 | 0 | 0 | 112.7 | S15 K17 Q21 S22 I23 L101 K398 | S15-Q19 PolarHBondContact OG-N 3.2Å; K17-Q19 PolarHBondContact O-N 3.03Å; Q19-Q21 PolarHBondContact O-N 3.46Å; Q19-S22 PolarHBondContact O-N 3.34Å; Q19-S22 VanDerWaalsContact O-N 3.17Å; Q19-I23 WeakPolarHBondContact O-CD1 3.49Å; Q19-I23 WeakPolarHBondContact O-CG1 3.43Å; Q19-I23 PolarHBondContact O-N 3.29Å; Q19-I23 VanDerWaalsContact O-N 3.09Å; Q19-L101 HydrophobicContact CB-CD2 4.11Å; Q19-K398 VanDerWaalsContact OE1-CE 3.32Å |
| 20 | A | 90.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.6 | -34.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G14 S15 A24 V61 L101 | G14-A20 WeakPolarHBondContact O-CB 3.09Å; S15-A20 PolarHBondContact OG-N 3.11Å; A20-A24 WeakPolarHBondContact O-CB 3.03Å; A20-A24 PolarHBondContact O-N 3.08Å; A20-V61 HydrophobicContact CB-CG1 4.04Å; A20-V61 WeakPolarHBondContact O-CG1 3.16Å; A20-L101 HydrophobicContact CB-CD1 4.41Å; A20-L101 HydrophobicContact CB-CD2 4.29Å |
| 21 | Q | 86.6 | Confident | 87 | Confident | 63 Ų | 63 | 34 Ų | 34 | 29% | 0.294 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.2 | -50.2 | 173.3 | 176.1 | -179.3 | -6.3 | 0 | 0 | 111.2 | Y13 G18 Q19 I23 A24 E25 | Y13-Q21 HydrophobicContact CD2-CB 3.7Å; Y13-Q21 HydrophobicContact CD2-CG 4.09Å; Y13-Q21 HydrophobicContact CE1-CG 4.22Å; Y13-Q21 HydrophobicContact CE2-CB 3.66Å; Y13-Q21 HydrophobicContact CE2-CG 3.64Å; Y13-Q21 HydrophobicContact CG-CB 4.32Å; G18-Q21 PolarHBondContact O-N 3.04Å; Q19-Q21 PolarHBondContact O-N 3.46Å; Q21-I23 VanDerWaalsContact C-N 3.26Å; Q21-I23 PolarHBondContact O-N 3.03Å; Q21-A24 WeakPolarHBondContact O-CB 3.4Å; Q21-A24 PolarHBondContact O-N 3.36Å; Q21-A24 VanDerWaalsContact O-N 3.11Å; Q21-E25 HydrophobicContact CG-CG 4.47Å; Q21-E25 WeakPolarHBondContact CG-OE1 3.5Å; Q21-E25 PolarHBondContact NE2-OE1 3.37Å; Q21-E25 WeakPolarHBondContact O-CG 3.31Å; Q21-E25 PolarHBondContact O-N 3.32Å |
| 22 | S | 77.2 | Confident | 86.4 | Confident | 48 Ų | 48 | 38.3 Ų | 38.3 | 34% | 0.336 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.9 | -36.7 | 179.6 | 175.1 | 0 | 0 | 0 | 0 | 112.6 | G18 Q19 G26 K398 | G18-S22 WeakPolarHBondContact O-CB 3.33Å; G18-S22 PolarHBondContact O-N 3.31Å; Q19-S22 PolarHBondContact O-N 3.34Å; Q19-S22 VanDerWaalsContact O-N 3.17Å; S22-G26 PolarHBondContact O-N 2.92Å; S22-K398 PolarHBondContact OG-NZ 3.49Å |
| 23 | I | 86.6 | Confident | 85.7 | Confident | 23 Ų | 23 | 45 Ų | 45 | 12% | 0.118 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70 | -43.1 | 175.3 | -65.3 | 154.8 | 0 | 0 | 0 | 111.1 | Q19 Q21 E25 G26 I27 V61 L99 L101 I144 | Q19-I23 WeakPolarHBondContact O-CD1 3.49Å; Q19-I23 WeakPolarHBondContact O-CG1 3.43Å; Q19-I23 PolarHBondContact O-N 3.29Å; Q19-I23 VanDerWaalsContact O-N 3.09Å; Q21-I23 VanDerWaalsContact C-N 3.26Å; Q21-I23 PolarHBondContact O-N 3.03Å; I23-E25 VanDerWaalsContact C-N 3.31Å; I23-E25 PolarHBondContact O-N 3.21Å; I23-G26 PolarHBondContact O-N 2.96Å; I23-I27 HydrophobicContact CG2-CD1 4.28Å; I23-I27 WeakPolarHBondContact O-CG1 3.2Å; I23-I27 PolarHBondContact O-N 3.01Å; I23-V61 HydrophobicContact CB-CG1 4.17Å; I23-V61 HydrophobicContact CG2-CG1 4.06Å; I23-L99 HydrophobicContact CG2-CD2 3.77Å; I23-L101 HydrophobicContact CD1-CD1 4.06Å; I23-L101 HydrophobicContact CD1-CD2 3.53Å; I23-L101 HydrophobicContact CD1-CG 4.25Å; I23-I144 HydrophobicContact CD1-CD1 3.39Å; I23-I144 HydrophobicContact CG1-CD1 4.08Å; I23-I144 HydrophobicContact CG2-CG2 4.45Å |
| 24 | A | 91.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63 | -38.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | V11 Y13 A20 Q21 I27 A28 L40 V61 | V11-A24 HydrophobicContact CG1-CB 3.74Å; Y13-A24 HydrophobicContact CD1-CB 4.16Å; Y13-A24 HydrophobicContact CG-CB 4.23Å; A20-A24 WeakPolarHBondContact O-CB 3.03Å; A20-A24 PolarHBondContact O-N 3.08Å; Q21-A24 WeakPolarHBondContact O-CB 3.4Å; Q21-A24 PolarHBondContact O-N 3.36Å; Q21-A24 VanDerWaalsContact O-N 3.11Å; A24-I27 PolarHBondContact O-N 3.19Å; A24-A28 PolarHBondContact O-N 3Å; A24-L40 HydrophobicContact CB-CD1 3.66Å; A24-V61 HydrophobicContact CB-CB 4.14Å; A24-V61 HydrophobicContact CB-CG2 4.09Å |
| 25 | E | 83.4 | Confident | 84.8 | Confident | 47 Ų | 47 | 48.3 Ų | 48.3 | 22% | 0.22 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61 | -46.5 | 170.9 | -73.4 | 173.3 | -168.1 | 0 | 0 | 111.2 | Q21 I23 I27 A28 E29 L40 K368 | Q21-E25 HydrophobicContact CG-CG 4.47Å; Q21-E25 WeakPolarHBondContact CG-OE1 3.5Å; Q21-E25 PolarHBondContact NE2-OE1 3.37Å; Q21-E25 WeakPolarHBondContact O-CG 3.31Å; Q21-E25 PolarHBondContact O-N 3.32Å; I23-E25 VanDerWaalsContact C-N 3.31Å; I23-E25 PolarHBondContact O-N 3.21Å; E25-I27 PolarHBondContact O-N 2.82Å; E25-A28 WeakPolarHBondContact O-CB 3.18Å; E25-A28 PolarHBondContact O-N 3.41Å; E25-E29 WeakPolarHBondContact O-CG 3.43Å; E25-E29 PolarHBondContact O-N 3.33Å; E25-L40 HydrophobicContact CB-CD2 4.35Å; E25-L40 HydrophobicContact CG-CD2 3.55Å; E25-K368 IonicContact OE2-NZ 3.29Å |
| 26 | G | 79.8 | Confident | 84.8 | Confident | 22 Ų | 22 | 48 Ų | 48 | 23% | 0.227 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | S22 I23 A28 E29 E30 | S22-G26 PolarHBondContact O-N 2.92Å; I23-G26 PolarHBondContact O-N 2.96Å; G26-A28 VanDerWaalsContact C-N 3.29Å; G26-A28 PolarHBondContact O-N 3.32Å; G26-E29 PolarHBondContact O-N 3.37Å; G26-E30 PolarHBondContact O-N 3.32Å |
| 27 | I | 89.8 | Confident | 85.2 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.3 | -41.1 | 173 | -66 | 168.3 | 0 | 0 | 0 | 110.6 | F9 V11 I23 A24 E25 E29 A31 V59 V61 W147 L148 L151 W152 | F9-I27 HydrophobicContact CE2-CG2 4.05Å; F9-I27 HydrophobicContact CZ-CG2 4.04Å; V11-I27 HydrophobicContact CG2-CG2 3.92Å; I23-I27 HydrophobicContact CG2-CD1 4.28Å; I23-I27 WeakPolarHBondContact O-CG1 3.2Å; I23-I27 PolarHBondContact O-N 3.01Å; A24-I27 PolarHBondContact O-N 3.19Å; E25-I27 PolarHBondContact O-N 2.82Å; I27-E29 VanDerWaalsContact C-N 3.33Å; I27-E29 PolarHBondContact O-N 2.76Å; I27-A31 WeakPolarHBondContact O-CB 3.45Å; I27-A31 PolarHBondContact O-N 3.24Å; I27-A31 VanDerWaalsContact O-N 3.17Å; I27-V59 HydrophobicContact CD1-CG1 4.43Å; I27-V61 HydrophobicContact CD1-CG2 3.83Å; I27-W147 HydrophobicContact CD1-CZ3 4.35Å; I27-L148 HydrophobicContact CD1-CD2 3.76Å; I27-L148 HydrophobicContact CG1-CD2 3.49Å; I27-L148 VanDerWaalsContact CG1-CD2 3.49Å; I27-L151 HydrophobicContact CD1-CD2 4.36Å; I27-L151 HydrophobicContact CG2-CD2 4.23Å; I27-W152 HydrophobicContact CB-CH2 4.46Å; I27-W152 HydrophobicContact CG2-CH2 3.9Å; I27-W152 HydrophobicContact CG2-CZ3 4.31Å; I27-W152 VanDerWaalsContact O-CH2 3.3Å; I27-W152 WeakPolarHBondContact O-CH2 3.43Å |
| 28 | A | 88.4 | Confident | 85.9 | Confident | 5 Ų | 5 | 39.7 Ų | 39.7 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.6 | -33.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A24 E25 G26 A38 L40 | A24-A28 PolarHBondContact O-N 3Å; E25-A28 WeakPolarHBondContact O-CB 3.18Å; E25-A28 PolarHBondContact O-N 3.41Å; G26-A28 VanDerWaalsContact C-N 3.29Å; G26-A28 PolarHBondContact O-N 3.32Å; A28-A38 HydrophobicContact CB-CB 3.89Å; A28-L40 HydrophobicContact CB-CB 4.15Å; A28-L40 HydrophobicContact CB-CD2 4.44Å |
| 29 | E | 82.5 | Confident | 86.6 | Confident | 61 Ų | 61 | 42.4 Ų | 42.4 | 29% | 0.285 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -71.7 | -49.2 | 176.3 | -70.6 | 176.6 | -174.9 | 0 | 0 | 111.7 | E25 G26 I27 A31 K368 | E25-E29 WeakPolarHBondContact O-CG 3.43Å; E25-E29 PolarHBondContact O-N 3.33Å; G26-E29 PolarHBondContact O-N 3.37Å; I27-E29 VanDerWaalsContact C-N 3.33Å; I27-E29 PolarHBondContact O-N 2.76Å; E29-A31 VanDerWaalsContact C-N 3.25Å; E29-A31 PolarHBondContact O-N 3.31Å; E29-K368 WeakPolarHBondContact OE1-CE 3.25Å |
| 30 | E | 84.8 | Confident | 87.1 | Confident | 73 Ų | 73 | 41.1 Ų | 41.1 | 34% | 0.341 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.4 | -22.9 | -179.4 | -73.6 | -176.8 | -155.1 | 0 | 0 | 113.4 | G26 E32 E33 H34 W152 | G26-E30 PolarHBondContact O-N 3.32Å; E30-E32 PolarHBondContact O-N 2.92Å; E30-E32 VanDerWaalsContact O-N 3.13Å; E30-E33 PolarHBondContact O-N 3.43Å; E30-E33 VanDerWaalsContact O-N 3.12Å; E30-H34 PolarHBondContact O-CD2 3.39Å; E30-H34 PolarHBondContact O-N 2.96Å; E30-W152 HydrophobicContact CB-CH2 3.75Å; E30-W152 HydrophobicContact CB-CZ2 3.44Å; E30-W152 VanDerWaalsContact CB-CZ2 3.44Å; E30-W152 HydrophobicContact CG-CZ2 4.46Å; E30-W152 WeakPolarHBondContact OE2-CZ2 3.07Å |
| 31 | A | 88.7 | Confident | 87.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -36.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | F9 I27 E29 E33 H34 G35 L36 A38 W152 | F9-A31 HydrophobicContact CE1-CB 3.73Å; F9-A31 HydrophobicContact CZ-CB 3.98Å; I27-A31 WeakPolarHBondContact O-CB 3.45Å; I27-A31 PolarHBondContact O-N 3.24Å; I27-A31 VanDerWaalsContact O-N 3.17Å; E29-A31 VanDerWaalsContact C-N 3.25Å; E29-A31 PolarHBondContact O-N 3.31Å; A31-E33 PolarHBondContact O-N 2.88Å; A31-H34 CarbonylContact O-C 3.48Å; A31-H34 PolarHBondContact O-N 2.68Å; A31-G35 PolarHBondContact O-N 3.24Å; A31-L36 CarbonylContact C-O 3.52Å; A31-L36 HydrophobicContact CB-CB 4.28Å; A31-L36 WeakPolarHBondContact O-CA 3.49Å; A31-L36 WeakPolarHBondContact O-CB 3.3Å; A31-L36 PolarHBondContact O-N 2.97Å; A31-A38 HydrophobicContact CB-CB 3.86Å; A31-W152 HydrophobicContact CB-CH2 4.47Å; A31-W152 HydrophobicContact CB-CZ3 4.12Å |
| 32 | E | 83.3 | Confident | 87.5 | Confident | 90 Ų | 90 | 39 Ų | 39 | 42% | 0.421 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -38.6 | -178.6 | -64.8 | -156.5 | 145.5 | 0 | 0 | 112.8 | E30 H34 G35 K369 | E30-E32 PolarHBondContact O-N 2.92Å; E30-E32 VanDerWaalsContact O-N 3.13Å; E32-H34 PolarHBondContact O-N 3.25Å; E32-G35 PolarHBondContact O-N 2.79Å; E32-K369 VanDerWaalsContact CG-NZ 3.29Å; E32-K369 WeakPolarHBondContact OE1-CE 3.47Å; E32-K369 IonicContact OE1-NZ 3.92Å; E32-K369 PolarHBondContact OE1-NZ 2.91Å |
| 33 | E | 84.3 | Confident | 88.2 | Confident | 142 Ų | 142 | 36.8 Ų | 36.8 | 66% | 0.664 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -28.5 | 178 | -57.4 | -171.8 | 172.7 | 0 | 0 | 111.1 | E30 A31 | E30-E33 PolarHBondContact O-N 3.43Å; E30-E33 VanDerWaalsContact O-N 3.12Å; A31-E33 PolarHBondContact O-N 2.88Å |
| 34 | H | 86.9 | Confident | 88.3 | Confident | 60 Ų | 60 | 39.5 Ų | 39.5 | 28% | 0.278 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 2.6 | 175.7 | -70.3 | -71.1 | 0 | 0 | 0 | 114.2 | E30 A31 E32 L36 W152 K156 | E30-H34 PolarHBondContact O-CD2 3.39Å; E30-H34 PolarHBondContact O-N 2.96Å; A31-H34 CarbonylContact O-C 3.48Å; A31-H34 PolarHBondContact O-N 2.68Å; E32-H34 PolarHBondContact O-N 3.25Å; H34-L36 HydrophobicContact CB-CD1 4.34Å; H34-W152 HydrophobicContact CB-CD2 4.38Å; H34-W152 HydrophobicContact CB-CE3 4.27Å; H34-W152 AromaticContact CD2-CD1 3.67Å; H34-W152 AromaticContact CD2-CD2 3.41Å; H34-W152 VanDerWaalsContact CD2-CD2 3.41Å; H34-W152 AromaticContact CD2-CE2 3.49Å; H34-W152 VanDerWaalsContact CD2-CE2 3.49Å; H34-W152 AromaticContact CD2-CE3 3.97Å; H34-W152 AromaticContact CD2-CG 3.56Å; H34-W152 AromaticContact CD2-NE1 3.6Å; H34-W152 AromaticContact CE1-CD1 3.58Å; H34-W152 AromaticContact CE1-CG 3.81Å; H34-W152 AromaticContact CG-CD2 3.83Å; H34-W152 AromaticContact CG-CG 3.72Å; H34-W152 AromaticContact ND1-CG 3.88Å; H34-W152 AromaticContact NE2-CD1 3.27Å; H34-W152 VanDerWaalsContact NE2-CD1 3.27Å; H34-W152 AromaticContact NE2-CD2 3.88Å; H34-W152 AromaticContact NE2-CE2 3.71Å; H34-W152 AromaticContact NE2-CG 3.62Å; H34-W152 AromaticContact NE2-NE1 3.29Å; H34-W152 PolarHBondContact NE2-NE1 3.12Å; H34-K156 WeakPolarHBondContact O-CE 3.45Å; H34-K156 PolarHBondContact O-NZ 3.16Å |
| 35 | G | 86.3 | Confident | 88.1 | Confident | 34 Ų | 34 | 42.1 Ų | 42.1 | 35% | 0.351 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 21 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A31 E32 | A31-G35 PolarHBondContact O-N 3.24Å; E32-G35 PolarHBondContact O-N 2.79Å |
| 36 | L | 91 | Very high | 87.7 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | trans | -112.4 | 163.7 | -177.9 | -61.9 | 166.5 | 0 | 0 | 0 | 111 | P7 F9 A31 H34 W152 I155 K156 L159 | P7-L36 HydrophobicContact CB-CD2 4.14Å; P7-L36 HydrophobicContact CG-CD2 4.07Å; F9-L36 HydrophobicContact CD1-CB 4.19Å; F9-L36 HydrophobicContact CE1-CB 3.94Å; F9-L36 HydrophobicContact CE1-CD1 4.34Å; A31-L36 CarbonylContact C-O 3.52Å; A31-L36 HydrophobicContact CB-CB 4.28Å; A31-L36 WeakPolarHBondContact O-CA 3.49Å; A31-L36 WeakPolarHBondContact O-CB 3.3Å; A31-L36 PolarHBondContact O-N 2.97Å; H34-L36 HydrophobicContact CB-CD1 4.34Å; L36-W152 HydrophobicContact CD1-CE3 4.13Å; L36-I155 HydrophobicContact CD1-CB 4.23Å; L36-I155 HydrophobicContact CD1-CG2 3.79Å; L36-I155 HydrophobicContact CD2-CG2 4.16Å; L36-K156 HydrophobicContact CD2-CG 4.36Å; L36-L159 HydrophobicContact CD2-CD1 3.62Å | ||
| 37 | V | 90.6 | Very high | 87.7 | Confident | 45 Ų | 45 | 48 Ų | 48 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 119.2 | 170.9 | 178.7 | 0 | 0 | 0 | 0 | 109.2 | K6 P7 R8 F9 | K6-V37 HydrophobicContact CB-CG2 3.58Å; K6-V37 HydrophobicContact CD-CG2 4.16Å; P7-V37 PolarHBondContact O-N 2.89Å; R8-V37 CarbonylContact C-O 3.52Å; R8-V37 WeakPolarHBondContact CA-O 3.31Å; R8-V37 HydrophobicContact CB-CB 4.39Å; F9-V37 WeakPolarHBondContact CD1-O 3.4Å; F9-V37 PolarHBondContact N-O 3.34Å |
| 38 | A | 92.5 | Very high | 87.2 | Confident | 10 Ų | 10 | 53 Ų | 53 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 130 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F9 V11 A28 A31 | F9-A38 HydrophobicContact CD1-CB 4.34Å; F9-A38 HydrophobicContact CE1-CB 3.64Å; F9-A38 HydrophobicContact CE2-CB 4.18Å; F9-A38 HydrophobicContact CZ-CB 3.55Å; F9-A38 CarbonylContact O-C 3.55Å; F9-A38 WeakPolarHBondContact O-CA 3.36Å; V11-A38 HydrophobicContact CG2-CB 4.17Å; A28-A38 HydrophobicContact CB-CB 3.89Å; A31-A38 HydrophobicContact CB-CB 3.86Å |
| 39 | E | 92 | Very high | 87.2 | Confident | 84 Ų | 84 | 53.9 Ų | 53.9 | 39% | 0.393 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 105.5 | 168.1 | -72.8 | 173.9 | -179.1 | 0 | 0 | 109.3 | R8 F9 V10 V11 | R8-E39 WeakPolarHBondContact CD-OE1 3.33Å; R8-E39 IonicContact CZ-OE2 2.69Å; R8-E39 IonicContact NH1-OE1 3.27Å; R8-E39 IonicContact NH1-OE2 3.24Å; R8-E39 PolarHBondContact NH1-OE2 3.12Å; F9-E39 PolarHBondContact O-N 3.01Å; V10-E39 CarbonylContact C-O 3.59Å; V10-E39 WeakPolarHBondContact CA-O 3.42Å; V10-E39 HydrophobicContact CG2-CB 4.39Å; V11-E39 PolarHBondContact N-O 3.21Å |
| 40 | L | 92.6 | Very high | 87.5 | Confident | 54 Ų | 54 | 54.7 Ų | 54.7 | 28% | 0.283 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 125.3 | -177.1 | 179.8 | 68.1 | 0 | 0 | 0 | 111.6 | V11 Y13 A24 E25 A28 | V11-L40 HydrophobicContact CB-CD1 3.96Å; V11-L40 HydrophobicContact CG1-CD1 3.88Å; V11-L40 WeakPolarHBondContact O-CA 3.37Å; Y13-L40 HydrophobicContact CD1-CD1 3.78Å; Y13-L40 HydrophobicContact CD1-CG 4.38Å; Y13-L40 HydrophobicContact CE1-CD1 4.19Å; Y13-L40 HydrophobicContact CE1-CG 4.31Å; A24-L40 HydrophobicContact CB-CD1 3.66Å; E25-L40 HydrophobicContact CB-CD2 4.35Å; E25-L40 HydrophobicContact CG-CD2 3.55Å; A28-L40 HydrophobicContact CB-CB 4.15Å; A28-L40 HydrophobicContact CB-CD2 4.44Å |
| 41 | C | 92.6 | Very high | 87.7 | Confident | 14 Ų | 14 | 51.7 Ų | 51.7 | 10% | 0.095 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 149.3 | 177.1 | -72.9 | 0 | 0 | 0 | 0 | 112.4 | V11 L12 Y13 Y49 | V11-C41 PolarHBondContact O-N 3.33Å; L12-C41 WeakPolarHBondContact CA-O 3.23Å; L12-C41 HydrophobicContact CD2-CB 3.67Å; Y13-C41 VanDerWaalsContact CD1-O 3.28Å; Y13-C41 WeakPolarHBondContact CD1-O 3.08Å; Y13-C41 PolarHBondContact N-O 3.08Å; Y13-C41 VanDerWaalsContact N-O 3.08Å; C41-Y49 HydrophobicContact CB-CD1 4.04Å; C41-Y49 HydrophobicContact CB-CG 4.5Å |
| 42 | C | 92.1 | Very high | 87.6 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.027 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 143.8 | 169.6 | -171.3 | 0 | 0 | 0 | 0 | 110.1 | Y13 N44 Q45 Y49 | Y13-C42 HydrophobicContact CE1-CB 3.99Å; Y13-C42 HydrophobicContact CE2-CB 3.95Å; C42-N44 WeakPolarHBondContact CB-OD1 3.35Å; C42-N44 PolarHBondContact O-N 3.36Å; C42-N44 VanDerWaalsContact O-N 3.1Å; C42-N44 PolarHBondContact SG-OD1 3.42Å; C42-Q45 HydrophobicContact CB-CG 4.09Å; C42-Q45 PolarHBondContact O-N 3.02Å; C42-Y49 WeakPolarHBondContact O-CE1 3.31Å |
| 43 | L | 92.3 | Very high | 87.8 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -19.8 | -179.4 | -78.1 | 171.5 | 0 | 0 | 0 | 114.6 | L12 Y13 Y49 F60 V62 N73 A74 F77 | L12-L43 HydrophobicContact CB-CD2 3.84Å; L12-L43 HydrophobicContact CB-CG 4.3Å; L12-L43 HydrophobicContact CD1-CD2 4.01Å; L12-L43 HydrophobicContact CG-CD2 4.44Å; Y13-L43 WeakPolarHBondContact O-CG 3.22Å; Y13-L43 PolarHBondContact O-N 2.88Å; L43-Y49 PolarHBondContact O-OH 2.98Å; L43-F60 HydrophobicContact CD2-CD1 4.32Å; L43-F60 HydrophobicContact CD2-CE1 4.17Å; L43-V62 HydrophobicContact CD1-CG1 3.74Å; L43-N73 CarbonylContact C-O 3.6Å; L43-A74 HydrophobicContact CB-CB 4.29Å; L43-A74 HydrophobicContact CD1-CB 3.73Å; L43-F77 HydrophobicContact CB-CB 4.23Å; L43-F77 HydrophobicContact CD1-CD1 4.03Å; L43-F77 HydrophobicContact CD2-CB 4.36Å; L43-F77 HydrophobicContact CD2-CD1 3.75Å; L43-F77 HydrophobicContact CD2-CD2 4.05Å; L43-F77 HydrophobicContact CD2-CE1 4Å; L43-F77 HydrophobicContact CD2-CE2 4.31Å; L43-F77 HydrophobicContact CD2-CG 3.77Å; L43-F77 HydrophobicContact CD2-CZ 4.28Å; L43-F77 HydrophobicContact CG-CD1 4.4Å |
| 44 | N | 88.8 | Confident | 88 | Confident | 80 Ų | 80 | 53.2 Ų | 53.2 | 43% | 0.428 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -4.1 | 175 | 69.6 | -6.4 | 0 | 0 | 0 | 114.6 | C42 D46 N73 | C42-N44 WeakPolarHBondContact CB-OD1 3.35Å; C42-N44 PolarHBondContact O-N 3.36Å; C42-N44 VanDerWaalsContact O-N 3.1Å; C42-N44 PolarHBondContact SG-OD1 3.42Å; N44-D46 PolarHBondContact O-N 2.9Å; N44-N73 HydrophobicContact CB-CB 4.39Å; N44-N73 WeakPolarHBondContact CB-O 3.39Å; N44-N73 PolarHBondContact N-O 2.92Å; N44-N73 VanDerWaalsContact N-O 3.08Å |
| 45 | Q | 86.5 | Confident | 88 | Confident | 55 Ų | 55 | 53.2 Ų | 53.2 | 26% | 0.257 | 28% | 0.278 | S | S | . | . | trans | -95.1 | 63.7 | -179.9 | -69.6 | 176.5 | -8.4 | 0 | 0 | 110.3 | C42 D47 K48 Y49 | C42-Q45 HydrophobicContact CB-CG 4.09Å; C42-Q45 PolarHBondContact O-N 3.02Å; Q45-D47 WeakPolarHBondContact CA-OD1 3.15Å; Q45-D47 PolarHBondContact O-N 3.38Å; Q45-K48 HydrophobicContact CB-CB 4.28Å; Q45-K48 HydrophobicContact CB-CD 4.17Å; Q45-K48 HydrophobicContact CB-CG 4.18Å; Q45-K48 PolarHBondContact O-N 3.13Å; Q45-K48 VanDerWaalsContact OE1-NZ 3.08Å; Q45-Y49 WeakPolarHBondContact O-CD1 3.24Å; Q45-Y49 WeakPolarHBondContact O-CE1 3.45Å | ||
| 46 | D | 75.9 | Confident | 88.2 | Confident | 55 Ų | 55 | 51.9 Ų | 51.9 | 29% | 0.294 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -16.3 | -176.9 | -65.7 | -51 | 0 | 0 | 0 | 114.3 | N44 R80 | N44-D46 PolarHBondContact O-N 2.9Å; D46-R80 IonicContact OD1-CZ 2.89Å; D46-R80 VanDerWaalsContact OD1-CZ 3.27Å; D46-R80 IonicContact OD1-NH1 3.33Å; D46-R80 PolarHBondContact OD1-NH1 3.29Å; D46-R80 IonicContact OD1-NH2 3.11Å; D46-R80 PolarHBondContact OD1-NH2 3.36Å; D46-R80 IonicContact OD2-CZ 3.83Å; D46-R80 IonicContact OD2-NH1 3.69Å; D46-R80 IonicContact OD2-NH2 3.89Å; D46-R80 PolarHBondContact OD2-NH2 3.42Å |
| 47 | D | 79.3 | Confident | 88.4 | Confident | 137 Ų | 137 | 51.8 Ų | 51.8 | 73% | 0.733 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -23.1 | 174.7 | 59.1 | -46.3 | 0 | 0 | 0 | 113 | Q45 | Q45-D47 WeakPolarHBondContact CA-OD1 3.15Å; Q45-D47 PolarHBondContact O-N 3.38Å |
| 48 | K | 80.3 | Confident | 88.8 | Confident | 107 Ų | 107 | 49.6 Ų | 49.6 | 47% | 0.465 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -17 | -173.9 | -62.9 | -168.2 | -170.6 | 170.8 | 0 | 114.8 | Q45 | Q45-K48 HydrophobicContact CB-CB 4.28Å; Q45-K48 HydrophobicContact CB-CD 4.17Å; Q45-K48 HydrophobicContact CB-CG 4.18Å; Q45-K48 PolarHBondContact O-N 3.13Å; Q45-K48 VanDerWaalsContact OE1-NZ 3.08Å |
| 49 | Y | 87.9 | Confident | 89 | Confident | 24 Ų | 24 | 49.1 Ų | 49.1 | 9% | 0.094 | 25% | 0.246 | C | C | . | . | trans | -140.2 | 153.4 | 178.1 | 74.6 | -83.6 | 0 | 0 | 0 | 110.8 | L12 C41 C42 L43 Q45 L51 | L12-Y49 HydrophobicContact CD1-CD2 3.86Å; L12-Y49 HydrophobicContact CD1-CE2 3.77Å; L12-Y49 HydrophobicContact CD2-CD1 3.96Å; L12-Y49 HydrophobicContact CD2-CD2 3.89Å; L12-Y49 HydrophobicContact CD2-CE1 4.31Å; L12-Y49 HydrophobicContact CD2-CE2 4.22Å; L12-Y49 HydrophobicContact CD2-CG 3.75Å; C41-Y49 HydrophobicContact CB-CD1 4.04Å; C41-Y49 HydrophobicContact CB-CG 4.5Å; C42-Y49 WeakPolarHBondContact O-CE1 3.31Å; L43-Y49 PolarHBondContact O-OH 2.98Å; Q45-Y49 WeakPolarHBondContact O-CD1 3.24Å; Q45-Y49 WeakPolarHBondContact O-CE1 3.45Å; Y49-L51 HydrophobicContact CD2-CD2 4.5Å; Y49-L51 HydrophobicContact CD2-CG 4.01Å; Y49-L51 HydrophobicContact CE2-CD1 4.1Å; Y49-L51 HydrophobicContact CE2-CG 3.92Å | ||
| 50 | N | 89 | Confident | 89.3 | Confident | 78 Ų | 78 | 45.1 Ų | 45.1 | 42% | 0.417 | 23% | 0.227 | S | C | . | . | trans | -141.2 | 96.8 | 177.9 | -171.3 | -17.6 | 0 | 0 | 0 | 111.8 | E52 K53 E54 | N50-E52 PolarHBondContact O-N 2.86Å; N50-E52 WeakPolarHBondContact OD1-CB 3.4Å; N50-E52 WeakPolarHBondContact OD1-CG 3.44Å; N50-E52 PolarHBondContact OD1-N 3.24Å; N50-K53 PolarHBondContact O-N 3.17Å; N50-E54 WeakPolarHBondContact O-CB 3.46Å; N50-E54 PolarHBondContact O-N 3Å; N50-E54 VanDerWaalsContact O-N 3.1Å | ||
| 51 | L | 88.9 | Confident | 89.6 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 5% | 0.047 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -62.5 | -26.3 | 179.2 | -67.8 | 175.4 | 0 | 0 | 0 | 113.7 | L12 Y49 K53 E54 V58 F60 F77 Y91 H93 L94 | L12-L51 HydrophobicContact CD1-CD1 4.3Å; L12-L51 HydrophobicContact CD1-CD2 3.88Å; L12-L51 HydrophobicContact CD1-CG 4.33Å; Y49-L51 HydrophobicContact CD2-CD2 4.5Å; Y49-L51 HydrophobicContact CD2-CG 4.01Å; Y49-L51 HydrophobicContact CE2-CD1 4.1Å; Y49-L51 HydrophobicContact CE2-CG 3.92Å; L51-K53 PolarHBondContact O-N 2.83Å; L51-E54 PolarHBondContact O-N 3.04Å; L51-V58 HydrophobicContact CD2-CG1 4.24Å; L51-V58 HydrophobicContact CD2-CG2 4.13Å; L51-F60 HydrophobicContact CD1-CZ 4.25Å; L51-F60 HydrophobicContact CD2-CZ 4.4Å; L51-F77 HydrophobicContact CD1-CE2 3.52Å; L51-F77 HydrophobicContact CD1-CZ 4.06Å; L51-Y91 HydrophobicContact CB-CE1 4.11Å; L51-H93 PolarHBondContact O-NE2 3.02Å; L51-H93 VanDerWaalsContact O-NE2 3.12Å; L51-L94 HydrophobicContact CD2-CD1 4.03Å; L51-L94 HydrophobicContact CD2-CD2 4.46Å |
| 52 | E | 87.5 | Confident | 89.8 | Confident | 80 Ų | 80 | 41.9 Ų | 41.9 | 37% | 0.374 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -63.7 | -29 | 179.1 | -54.4 | -60.5 | 153 | 0 | 0 | 111.9 | N50 H90 Y91 H93 | N50-E52 PolarHBondContact O-N 2.86Å; N50-E52 WeakPolarHBondContact OD1-CB 3.4Å; N50-E52 WeakPolarHBondContact OD1-CG 3.44Å; N50-E52 PolarHBondContact OD1-N 3.24Å; E52-H90 IonicContact OE1-CD2 3.27Å; E52-H90 IonicContact OE1-CE1 2.94Å; E52-H90 IonicContact OE1-NE2 3.85Å; E52-H90 PolarHBondContact OE1-NE2 2.97Å; E52-H90 IonicContact OE2-CD2 3.32Å; E52-H90 IonicContact OE2-CE1 2.95Å; E52-H90 PolarHBondContact OE2-CE1 2.85Å; E52-H90 IonicContact OE2-NE2 3.65Å; E52-H90 PolarHBondContact OE2-NE2 3.26Å; E52-Y91 WeakPolarHBondContact OE1-CE1 3.43Å; E52-Y91 PolarHBondContact OE1-OH 2.92Å; E52-H93 PolarHBondContact O-NE2 2.88Å |
| 53 | K | 86.1 | Confident | 89.9 | Confident | 167 Ų | 167 | 42.4 Ų | 42.4 | 73% | 0.726 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -115.4 | 4.9 | -178.2 | -60.8 | -176.8 | -179.3 | -179.1 | 0 | 112.8 | N50 L51 C55 | N50-K53 PolarHBondContact O-N 3.17Å; L51-K53 PolarHBondContact O-N 2.83Å; K53-C55 PolarHBondContact O-N 2.92Å |
| 54 | E | 89.9 | Confident | 89.8 | Confident | 18 Ų | 18 | 43.9 Ų | 43.9 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | trans | -77.3 | 123.3 | -173.5 | -171.9 | 49.8 | -92.2 | 0 | 0 | 110.9 | R8 V10 N50 L51 A56 V58 H93 L94 | R8-E54 IonicContact CZ-OE1 2.64Å; R8-E54 IonicContact CZ-OE2 3.41Å; R8-E54 IonicContact NH1-OE1 2.72Å; R8-E54 PolarHBondContact NH1-OE1 3.49Å; R8-E54 IonicContact NH1-OE2 2.65Å; R8-E54 PolarHBondContact NH1-OE2 3.43Å; R8-E54 VanDerWaalsContact NH1-OE2 3.11Å; R8-E54 IonicContact NH2-OE1 3.99Å; R8-E54 PolarHBondContact NH2-OE1 2.69Å; R8-E54 IonicContact NH2-OE2 2.71Å; V10-E54 HydrophobicContact CG2-CG 4.19Å; V10-E54 WeakPolarHBondContact CG2-OE2 3.04Å; N50-E54 WeakPolarHBondContact O-CB 3.46Å; N50-E54 PolarHBondContact O-N 3Å; N50-E54 VanDerWaalsContact O-N 3.1Å; L51-E54 PolarHBondContact O-N 3.04Å; E54-A56 WeakPolarHBondContact OE1-CB 3.2Å; E54-A56 PolarHBondContact OE1-N 3.11Å; E54-V58 HydrophobicContact CG-CG2 3.82Å; E54-H93 PolarHBondContact O-CD2 2.83Å; E54-H93 VanDerWaalsContact O-CD2 3.23Å; E54-L94 HydrophobicContact CB-CD1 4.33Å | ||
| 55 | C | 85.7 | Confident | 89.5 | Confident | 59 Ų | 59 | 41.3 Ų | 41.3 | 40% | 0.399 | 21% | 0.209 | S | C | . | . | trans | -116 | 2.7 | -177.6 | -60.5 | 0 | 0 | 0 | 0 | 112.6 | K53 M162 R166 | K53-C55 PolarHBondContact O-N 2.92Å; C55-M162 WeakPolarHBondContact O-CE 3.35Å; C55-R166 VanDerWaalsContact CB-NH2 3.3Å; C55-R166 PolarHBondContact O-NH2 3.09Å | ||
| 56 | A | 91.5 | Very high | 88.7 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 5% | 0.05 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -95.3 | 158 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R8 E54 | R8-A56 HydrophobicContact CG-CB 4.17Å; E54-A56 WeakPolarHBondContact OE1-CB 3.2Å; E54-A56 PolarHBondContact OE1-N 3.11Å |
| 57 | P | 95.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -59.6 | 141.2 | 171.9 | -20.5 | 32.3 | 0 | 0 | 0 | 111.4 | F9 V10 F128 A158 L159 M162 | F9-P57 WeakPolarHBondContact CA-O 3.43Å; F9-P57 HydrophobicContact CB-CB 4.33Å; F9-P57 WeakPolarHBondContact CB-O 3.33Å; V10-P57 PolarHBondContact N-O 2.82Å; P57-F128 HydrophobicContact CB-CD1 4.37Å; P57-F128 HydrophobicContact CB-CE1 3.76Å; P57-F128 HydrophobicContact CB-CZ 4.04Å; P57-A158 HydrophobicContact CG-CB 4.17Å; P57-L159 HydrophobicContact CG-CD2 3.86Å; P57-L159 HydrophobicContact CG-CG 3.95Å; P57-M162 HydrophobicContact CG-SD 3.98Å | ||
| 58 | V | 97.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129.6 | -179.5 | -174.3 | 0 | 0 | 0 | 0 | 110.9 | V10 L12 L51 E54 F60 L94 L95 Y96 A97 | V10-V58 HydrophobicContact CB-CG1 4.45Å; V10-V58 HydrophobicContact CB-CG2 4.29Å; V10-V58 CarbonylContact O-C 3.45Å; V10-V58 WeakPolarHBondContact O-CA 3.46Å; L12-V58 HydrophobicContact CD1-CG1 3.89Å; L12-V58 HydrophobicContact CG-CG1 4.09Å; L51-V58 HydrophobicContact CD2-CG1 4.24Å; L51-V58 HydrophobicContact CD2-CG2 4.13Å; E54-V58 HydrophobicContact CG-CG2 3.82Å; V58-F60 HydrophobicContact CB-CE2 4.15Å; V58-F60 HydrophobicContact CG1-CD2 4.09Å; V58-F60 HydrophobicContact CG1-CE1 4.42Å; V58-F60 HydrophobicContact CG1-CE2 3.58Å; V58-F60 HydrophobicContact CG1-CZ 3.77Å; V58-L94 HydrophobicContact CG2-CD1 3.74Å; V58-L95 PolarHBondContact N-O 2.85Å; V58-Y96 CarbonylContact O-C 3.59Å; V58-Y96 WeakPolarHBondContact O-CA 3.42Å; V58-A97 PolarHBondContact O-N 3.26Å |
| 59 | V | 98.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 120.5 | 175 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | F9 V10 V11 L12 I27 V61 A97 F128 W147 L151 I155 | F9-V59 HydrophobicContact CD2-CG2 3.93Å; F9-V59 HydrophobicContact CE2-CG2 4.01Å; V10-V59 PolarHBondContact O-N 3.29Å; V11-V59 CarbonylContact C-O 3.59Å; V11-V59 WeakPolarHBondContact CA-O 3.37Å; V11-V59 HydrophobicContact CG2-CB 4.45Å; L12-V59 PolarHBondContact N-O 3.03Å; I27-V59 HydrophobicContact CD1-CG1 4.43Å; V59-V61 HydrophobicContact CG1-CG2 4.35Å; V59-A97 WeakPolarHBondContact CA-O 3.28Å; V59-A97 HydrophobicContact CG2-CB 4.43Å; V59-F128 HydrophobicContact CG2-CZ 4.16Å; V59-W147 HydrophobicContact CG1-CH2 3.95Å; V59-L151 HydrophobicContact CG2-CD1 4.2Å; V59-I155 HydrophobicContact CG2-CD1 4.24Å |
| 60 | F | 98.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 130.5 | 175.1 | -67.2 | -90.6 | 0 | 0 | 0 | 110.5 | L12 L43 L51 V58 F77 Y96 A97 L98 L99 L120 | L12-F60 HydrophobicContact CB-CD1 4Å; L12-F60 HydrophobicContact CB-CE1 4.19Å; L12-F60 HydrophobicContact CD1-CD1 4.28Å; L12-F60 HydrophobicContact CD1-CE1 3.61Å; L12-F60 HydrophobicContact CD1-CZ 4.04Å; L12-F60 HydrophobicContact CG-CE1 4.47Å; L12-F60 CarbonylContact O-C 3.56Å; L12-F60 WeakPolarHBondContact O-CA 3.28Å; L43-F60 HydrophobicContact CD2-CD1 4.32Å; L43-F60 HydrophobicContact CD2-CE1 4.17Å; L51-F60 HydrophobicContact CD1-CZ 4.25Å; L51-F60 HydrophobicContact CD2-CZ 4.4Å; V58-F60 HydrophobicContact CB-CE2 4.15Å; V58-F60 HydrophobicContact CG1-CD2 4.09Å; V58-F60 HydrophobicContact CG1-CE1 4.42Å; V58-F60 HydrophobicContact CG1-CE2 3.58Å; V58-F60 HydrophobicContact CG1-CZ 3.77Å; F60-F77 HydrophobicContact CE1-CE1 4.16Å; F60-F77 AromaticContact CE1-CZ 3.81Å; F60-F77 HydrophobicContact CE1-CZ 3.81Å; F60-F77 HydrophobicContact CZ-CZ 4.37Å; F60-Y96 HydrophobicContact CD2-CD2 4.46Å; F60-A97 PolarHBondContact N-O 3.27Å; F60-L98 HydrophobicContact CB-CB 4.36Å; F60-L98 HydrophobicContact CB-CD1 3.97Å; F60-L98 HydrophobicContact CB-CG 3.95Å; F60-L98 CarbonylContact O-C 3.42Å; F60-L98 WeakPolarHBondContact O-CA 3.37Å; F60-L99 PolarHBondContact O-N 3.03Å; F60-L120 HydrophobicContact CD2-CD1 4.15Å; F60-L120 HydrophobicContact CE2-CD1 3.65Å; F60-L120 HydrophobicContact CZ-CD1 3.98Å |
| 61 | V | 98.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 104 | 172.9 | -170.4 | 0 | 0 | 0 | 0 | 109.2 | V11 L12 Y13 G14 A20 I23 A24 I27 V59 L99 L101 | V11-V61 HydrophobicContact CG1-CG2 4.3Å; L12-V61 PolarHBondContact O-N 3.5Å; Y13-V61 CarbonylContact C-O 3.32Å; Y13-V61 WeakPolarHBondContact CA-O 3.41Å; Y13-V61 WeakPolarHBondContact CB-O 3.4Å; G14-V61 PolarHBondContact N-O 2.89Å; A20-V61 HydrophobicContact CB-CG1 4.04Å; A20-V61 WeakPolarHBondContact O-CG1 3.16Å; I23-V61 HydrophobicContact CB-CG1 4.17Å; I23-V61 HydrophobicContact CG2-CG1 4.06Å; A24-V61 HydrophobicContact CB-CB 4.14Å; A24-V61 HydrophobicContact CB-CG2 4.09Å; I27-V61 HydrophobicContact CD1-CG2 3.83Å; V59-V61 HydrophobicContact CG1-CG2 4.35Å; V61-L99 WeakPolarHBondContact CA-O 3.15Å; V61-L99 HydrophobicContact CG1-CD2 4.27Å; V61-L101 HydrophobicContact CG1-CD1 4.08Å |
| 62 | V | 97.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 130.7 | -167.6 | -66.6 | 0 | 0 | 0 | 0 | 112.6 | G14 L43 L98 L99 A100 L101 I116 | G14-V62 WeakPolarHBondContact O-CA 3.43Å; L43-V62 HydrophobicContact CD1-CG1 3.74Å; V62-L98 HydrophobicContact CG2-CD2 4.33Å; V62-L99 PolarHBondContact N-O 3.46Å; V62-A100 CarbonylContact O-C 3.5Å; V62-A100 WeakPolarHBondContact O-CA 3.44Å; V62-L101 PolarHBondContact O-N 3.39Å; V62-I116 HydrophobicContact CB-CD1 4.38Å; V62-I116 HydrophobicContact CG1-CD1 3.9Å; V62-I116 HydrophobicContact CG2-CD1 4.17Å |
| 63 | S | 94.9 | Very high | 88.4 | Confident | 15 Ų | 15 | 33.4 Ų | 33.4 | 11% | 0.105 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 165.3 | 168.2 | 64.1 | 0 | 0 | 0 | 0 | 112 | G14 S15 Q16 P71 L101 C112 | G14-S63 PolarHBondContact O-N 3.4Å; G14-S63 PolarHBondContact O-OG 3.21Å; S15-S63 WeakPolarHBondContact CA-OG 3.5Å; Q16-S63 PolarHBondContact N-OG 3.43Å; S63-P71 WeakPolarHBondContact O-CD 3.47Å; S63-L101 CarbonylContact C-O 3.48Å; S63-L101 WeakPolarHBondContact CA-O 3.32Å; S63-C112 WeakPolarHBondContact O-CB 3.22Å |
| 64 | T | 89.4 | Confident | 88.7 | Confident | 31 Ų | 31 | 25.5 Ų | 25.5 | 19% | 0.19 | 16% | 0.155 | C | C | . | . | trans | -114.3 | 143.9 | 170.3 | -54.5 | 0 | 0 | 0 | 0 | 109.3 | G68 L101 C110 N111 C112 | T64-G68 VanDerWaalsContact CG2-CA 3.42Å; T64-L101 PolarHBondContact N-O 3.12Å; T64-L101 PolarHBondContact OG1-O 2.85Å; T64-C110 WeakPolarHBondContact OG1-CA 3.33Å; T64-N111 HydrophobicContact CG2-CB 4.3Å; T64-N111 PolarHBondContact OG1-N 2.91Å; T64-C112 HydrophobicContact CG2-CB 4.26Å; T64-C112 PolarHBondContact OG1-N 2.91Å | ||
| 65 | T | 81.4 | Confident | 88.6 | Confident | 26 Ų | 26 | 27.4 Ų | 27.4 | 16% | 0.16 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -121.5 | 156.2 | -179.4 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | Q16 D67 G68 E69 P70 P71 | Q16-T65 HydrophobicContact CB-CG2 3.51Å; Q16-T65 HydrophobicContact CG-CG2 3.75Å; T65-D67 PolarHBondContact O-N 3.06Å; T65-G68 CarbonylContact O-C 3.56Å; T65-G68 PolarHBondContact O-N 3.5Å; T65-E69 PolarHBondContact N-O 3.36Å; T65-E69 PolarHBondContact O-N 3.07Å; T65-E69 PolarHBondContact OG1-O 3.46Å; T65-E69 VanDerWaalsContact OG1-O 3.09Å; T65-P70 PolarHBondContact OG1-O 3.33Å; T65-P70 VanDerWaalsContact OG1-O 3.1Å; T65-P71 HydrophobicContact CG2-CB 4.01Å |
| 66 | G | 71.1 | Confident | 88.8 | Confident | 53 Ų | 53 | 30.6 Ų | 30.6 | 55% | 0.546 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | -130.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G68 | G66-G68 PolarHBondContact O-N 2.99Š|
| 67 | D | 66.9 | Low | 88.9 | Confident | 46 Ų | 46 | 30.4 Ų | 30.4 | 25% | 0.246 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 43.4 | 177 | -167.3 | 20.2 | 0 | 0 | 0 | 112.8 | T65 N108 | T65-D67 PolarHBondContact O-N 3.06Å; D67-N108 PolarHBondContact O-ND2 2.79Å; D67-N108 PolarHBondContact OD1-ND2 2.78Å |
| 68 | G | 79.1 | Confident | 88.8 | Confident | 6 Ų | 6 | 30.6 Ų | 30.6 | 6% | 0.062 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | 14.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | T64 T65 G66 N111 | T64-G68 VanDerWaalsContact CG2-CA 3.42Å; T65-G68 CarbonylContact O-C 3.56Å; T65-G68 PolarHBondContact O-N 3.5Å; G66-G68 PolarHBondContact O-N 2.99Å; G68-N111 PolarHBondContact O-ND2 3.25Å |
| 69 | E | 83.3 | Confident | 88.5 | Confident | 121 Ų | 121 | 36.8 Ų | 36.8 | 57% | 0.565 | 20% | 0.2 | S | C | * | . | B | Isolated β-bridge | trans | -76.3 | 158.2 | 178.3 | -65.4 | -166.6 | 135.9 | 0 | 0 | 111.8 | T65 | T65-E69 PolarHBondContact N-O 3.36Å; T65-E69 PolarHBondContact O-N 3.07Å; T65-E69 PolarHBondContact OG1-O 3.46Å; T65-E69 VanDerWaalsContact OG1-O 3.09Å |
| 70 | P | 90.1 | Very high | 88.2 | Confident | 17 Ų | 17 | 40.6 Ų | 40.6 | 11% | 0.11 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -73 | 151.5 | 168.9 | 31.7 | -35.3 | 0 | 0 | 0 | 111.2 | T65 A74 L75 V78 C112 | T65-P70 PolarHBondContact OG1-O 3.33Å; T65-P70 VanDerWaalsContact OG1-O 3.1Å; P70-A74 HydrophobicContact CB-CB 4.32Å; P70-L75 HydrophobicContact CG-CB 4.37Å; P70-L75 HydrophobicContact CG-CD1 3.61Å; P70-V78 HydrophobicContact CB-CB 4.32Å; P70-V78 HydrophobicContact CB-CG2 3.89Å; P70-V78 HydrophobicContact CG-CB 4.21Å; P70-V78 HydrophobicContact CG-CG1 4.37Å; P70-V78 HydrophobicContact CG-CG2 4.33Å; P70-C112 HydrophobicContact CB-CB 4.43Å; P70-C112 VanDerWaalsContact CB-SG 3.59Å |
| 71 | P | 89.5 | Confident | 88 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 157.2 | 171.3 | 26.7 | -33.6 | 0 | 0 | 0 | 110.6 | Q16 S63 T65 N73 A74 L75 | Q16-P71 HydrophobicContact CB-CB 4.04Å; S63-P71 WeakPolarHBondContact O-CD 3.47Å; T65-P71 HydrophobicContact CG2-CB 4.01Å; P71-N73 PolarHBondContact O-N 3.09Å; P71-N73 VanDerWaalsContact O-N 3.13Å; P71-A74 HydrophobicContact CG-CB 3.79Å; P71-A74 CarbonylContact O-C 3.51Å; P71-A74 WeakPolarHBondContact O-CA 3.21Å; P71-A74 PolarHBondContact O-N 3.38Å; P71-L75 PolarHBondContact O-N 3.39Å |
| 72 | D | 83.2 | Confident | 87.6 | Confident | 109 Ų | 109 | 45.6 Ų | 45.6 | 58% | 0.583 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -55.4 | -39 | -173.5 | -65.9 | -35.2 | 0 | 0 | 0 | 112.2 | Q16 A74 L75 | Q16-D72 PolarHBondContact NE2-OD2 3.33Å; D72-A74 VanDerWaalsContact C-N 3.26Å; D72-A74 PolarHBondContact O-N 3.1Å; D72-L75 PolarHBondContact O-N 2.88Å |
| 73 | N | 89.1 | Confident | 87.3 | Confident | 28 Ų | 28 | 51.2 Ų | 51.2 | 15% | 0.15 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -77.2 | 0 | 177.3 | 64.7 | -0 | 0 | 0 | 0 | 115.2 | S15 L43 N44 P71 | S15-N73 PolarHBondContact N-ND2 3.19Å; S15-N73 PolarHBondContact N-OD1 3.33Å; S15-N73 VanDerWaalsContact O-CG 3.28Å; S15-N73 PolarHBondContact O-ND2 3.09Å; S15-N73 PolarHBondContact O-OD1 3.48Å; L43-N73 CarbonylContact C-O 3.6Å; N44-N73 HydrophobicContact CB-CB 4.39Å; N44-N73 WeakPolarHBondContact CB-O 3.39Å; N44-N73 PolarHBondContact N-O 2.92Å; N44-N73 VanDerWaalsContact N-O 3.08Å; P71-N73 PolarHBondContact O-N 3.09Å; P71-N73 VanDerWaalsContact O-N 3.13Å |
| 74 | A | 93.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -118.6 | -8.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L43 P70 P71 D72 Q76 F77 V78 | L43-A74 HydrophobicContact CB-CB 4.29Å; L43-A74 HydrophobicContact CD1-CB 3.73Å; P70-A74 HydrophobicContact CB-CB 4.32Å; P71-A74 HydrophobicContact CG-CB 3.79Å; P71-A74 CarbonylContact O-C 3.51Å; P71-A74 WeakPolarHBondContact O-CA 3.21Å; P71-A74 PolarHBondContact O-N 3.38Å; D72-A74 VanDerWaalsContact C-N 3.26Å; D72-A74 PolarHBondContact O-N 3.1Å; A74-Q76 PolarHBondContact O-N 2.95Å; A74-F77 PolarHBondContact O-N 3.22Å; A74-V78 WeakPolarHBondContact O-CG2 3.48Å; A74-V78 PolarHBondContact O-N 2.81Å |
| 75 | L | 88.6 | Confident | 86.9 | Confident | 59 Ų | 59 | 66.7 Ų | 66.7 | 31% | 0.309 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -56.7 | -45.6 | -173.8 | -176.9 | 68.3 | 0 | 0 | 0 | 112.6 | P70 P71 D72 V78 K79 | P70-L75 HydrophobicContact CG-CB 4.37Å; P70-L75 HydrophobicContact CG-CD1 3.61Å; P71-L75 PolarHBondContact O-N 3.39Å; D72-L75 PolarHBondContact O-N 2.88Å; L75-V78 PolarHBondContact O-N 2.84Å; L75-K79 HydrophobicContact CG-CD 4.44Å; L75-K79 WeakPolarHBondContact O-CG 3.29Å; L75-K79 PolarHBondContact O-N 3.3Å |
| 76 | Q | 88.7 | Confident | 87.2 | Confident | 125 Ų | 125 | 67.1 Ų | 67.1 | 58% | 0.584 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.4 | -40.7 | -179.4 | -64.6 | -167.2 | 6.4 | 0 | 0 | 112.3 | A74 K79 R80 | A74-Q76 PolarHBondContact O-N 2.95Å; Q76-K79 PolarHBondContact O-N 2.89Å; Q76-R80 PolarHBondContact O-N 3.39Å |
| 77 | F | 94.3 | Very high | 88.1 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.009 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.3 | -49.5 | 175 | 170.3 | -103.5 | 0 | 0 | 0 | 111.4 | L43 L51 F60 A74 K79 R80 I81 I116 | L43-F77 HydrophobicContact CB-CB 4.23Å; L43-F77 HydrophobicContact CD1-CD1 4.03Å; L43-F77 HydrophobicContact CD2-CB 4.36Å; L43-F77 HydrophobicContact CD2-CD1 3.75Å; L43-F77 HydrophobicContact CD2-CD2 4.05Å; L43-F77 HydrophobicContact CD2-CE1 4Å; L43-F77 HydrophobicContact CD2-CE2 4.31Å; L43-F77 HydrophobicContact CD2-CG 3.77Å; L43-F77 HydrophobicContact CD2-CZ 4.28Å; L43-F77 HydrophobicContact CG-CD1 4.4Å; L51-F77 HydrophobicContact CD1-CE2 3.52Å; L51-F77 HydrophobicContact CD1-CZ 4.06Å; F60-F77 HydrophobicContact CE1-CE1 4.16Å; F60-F77 AromaticContact CE1-CZ 3.81Å; F60-F77 HydrophobicContact CE1-CZ 3.81Å; F60-F77 HydrophobicContact CZ-CZ 4.37Å; A74-F77 PolarHBondContact O-N 3.22Å; F77-K79 VanDerWaalsContact C-N 3.29Å; F77-K79 PolarHBondContact O-N 3.13Å; F77-R80 WeakPolarHBondContact O-CA 3.27Å; F77-R80 VanDerWaalsContact O-CB 3.3Å; F77-R80 WeakPolarHBondContact O-CB 3.38Å; F77-R80 PolarHBondContact O-N 3.38Å; F77-I81 HydrophobicContact CD2-CG2 4.38Å; F77-I81 HydrophobicContact CE1-CD1 3.94Å; F77-I81 HydrophobicContact CE1-CG2 4.4Å; F77-I81 HydrophobicContact CE2-CG2 3.77Å; F77-I81 HydrophobicContact CZ-CD1 4.21Å; F77-I81 HydrophobicContact CZ-CG2 3.79Å; F77-I81 PolarHBondContact O-N 2.99Å; F77-I81 VanDerWaalsContact O-N 3.13Å; F77-I116 HydrophobicContact CD1-CD1 4.37Å; F77-I116 HydrophobicContact CE1-CD1 4.08Å; F77-I116 HydrophobicContact CE1-CG1 4.13Å; F77-I116 HydrophobicContact CE1-CG2 4.24Å |
| 78 | V | 93.1 | Very high | 89.1 | Confident | 5 Ų | 5 | 69.7 Ų | 69.7 | 3% | 0.03 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.3 | -37.5 | 179.1 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | P70 A74 L75 R80 I81 K82 T115 I116 | P70-V78 HydrophobicContact CB-CB 4.32Å; P70-V78 HydrophobicContact CB-CG2 3.89Å; P70-V78 HydrophobicContact CG-CB 4.21Å; P70-V78 HydrophobicContact CG-CG1 4.37Å; P70-V78 HydrophobicContact CG-CG2 4.33Å; A74-V78 WeakPolarHBondContact O-CG2 3.48Å; A74-V78 PolarHBondContact O-N 2.81Å; L75-V78 PolarHBondContact O-N 2.84Å; V78-R80 VanDerWaalsContact C-N 3.32Å; V78-R80 PolarHBondContact O-N 3.26Å; V78-I81 WeakPolarHBondContact O-CG1 3.31Å; V78-K82 HydrophobicContact CG1-CD 4.12Å; V78-K82 WeakPolarHBondContact O-CB 3.25Å; V78-K82 VanDerWaalsContact O-CG 3.28Å; V78-K82 WeakPolarHBondContact O-CG 3.45Å; V78-K82 PolarHBondContact O-N 3.41Å; V78-T115 HydrophobicContact CG1-CG2 4.08Å; V78-I116 HydrophobicContact CG2-CD1 3.92Å; V78-I116 HydrophobicContact CG2-CG1 3.86Å |
| 79 | K | 90.9 | Very high | 89.6 | Confident | 129 Ų | 129 | 74.3 Ų | 74.3 | 56% | 0.561 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -61.9 | -38 | 172.3 | -75.9 | 174.9 | 180 | 177.2 | 0 | 112.2 | L75 Q76 F77 | L75-K79 HydrophobicContact CG-CD 4.44Å; L75-K79 WeakPolarHBondContact O-CG 3.29Å; L75-K79 PolarHBondContact O-N 3.3Å; Q76-K79 PolarHBondContact O-N 2.89Å; F77-K79 VanDerWaalsContact C-N 3.29Å; F77-K79 PolarHBondContact O-N 3.13Å |
| 80 | R | 91.7 | Very high | 90 | Very high | 81 Ų | 81 | 70.7 Ų | 70.7 | 31% | 0.306 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.7 | -51.9 | 179.7 | -170.5 | -179.6 | -56.5 | 154.8 | 13 | 112 | D46 Q76 F77 V78 K82 K83 L86 | D46-R80 IonicContact OD1-CZ 2.89Å; D46-R80 VanDerWaalsContact OD1-CZ 3.27Å; D46-R80 IonicContact OD1-NH1 3.33Å; D46-R80 PolarHBondContact OD1-NH1 3.29Å; D46-R80 IonicContact OD1-NH2 3.11Å; D46-R80 PolarHBondContact OD1-NH2 3.36Å; D46-R80 IonicContact OD2-CZ 3.83Å; D46-R80 IonicContact OD2-NH1 3.69Å; D46-R80 IonicContact OD2-NH2 3.89Å; D46-R80 PolarHBondContact OD2-NH2 3.42Å; Q76-R80 PolarHBondContact O-N 3.39Å; F77-R80 WeakPolarHBondContact O-CA 3.27Å; F77-R80 VanDerWaalsContact O-CB 3.3Å; F77-R80 WeakPolarHBondContact O-CB 3.38Å; F77-R80 PolarHBondContact O-N 3.38Å; V78-R80 VanDerWaalsContact C-N 3.32Å; V78-R80 PolarHBondContact O-N 3.26Å; R80-K82 PolarHBondContact O-N 3.28Å; R80-K83 WeakPolarHBondContact O-CB 3.3Å; R80-K83 WeakPolarHBondContact O-CG 3.48Å; R80-K83 PolarHBondContact O-N 3.29Å; R80-K83 VanDerWaalsContact O-N 3.13Å; R80-L86 WeakPolarHBondContact O-CD1 3.29Å |
| 81 | I | 93.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -70.3 | -17.7 | -178.2 | 67.2 | 176 | 0 | 0 | 0 | 113.2 | F77 V78 Y91 I116 R119 L123 | F77-I81 HydrophobicContact CD2-CG2 4.38Å; F77-I81 HydrophobicContact CE1-CD1 3.94Å; F77-I81 HydrophobicContact CE1-CG2 4.4Å; F77-I81 HydrophobicContact CE2-CG2 3.77Å; F77-I81 HydrophobicContact CZ-CD1 4.21Å; F77-I81 HydrophobicContact CZ-CG2 3.79Å; F77-I81 PolarHBondContact O-N 2.99Å; F77-I81 VanDerWaalsContact O-N 3.13Å; V78-I81 WeakPolarHBondContact O-CG1 3.31Å; I81-Y91 HydrophobicContact CG2-CE2 4.18Å; I81-I116 HydrophobicContact CD1-CB 4.37Å; I81-I116 HydrophobicContact CD1-CG1 4.02Å; I81-I116 HydrophobicContact CD1-CG2 4.43Å; I81-R119 HydrophobicContact CD1-CB 3.99Å; I81-R119 HydrophobicContact CG1-CB 4.17Å; I81-R119 PolarHBondContact O-NE 2.92Å; I81-R119 PolarHBondContact O-NH2 2.69Å; I81-L123 HydrophobicContact CB-CD1 4.34Å |
| 82 | K | 91.1 | Very high | 90.3 | Very high | 104 Ų | 104 | 76.1 Ų | 76.1 | 45% | 0.452 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -7.9 | 173.8 | -78.8 | -176.1 | 177.1 | -176.2 | 0 | 114 | V78 R80 R84 R119 | V78-K82 HydrophobicContact CG1-CD 4.12Å; V78-K82 WeakPolarHBondContact O-CB 3.25Å; V78-K82 VanDerWaalsContact O-CG 3.28Å; V78-K82 WeakPolarHBondContact O-CG 3.45Å; V78-K82 PolarHBondContact O-N 3.41Å; R80-K82 PolarHBondContact O-N 3.28Å; K82-R84 PolarHBondContact O-N 3.19Å; K82-R119 HydrophobicContact CG-CG 4.22Å |
| 83 | K | 90.4 | Very high | 90.7 | Very high | 118 Ų | 118 | 74.2 Ų | 74.2 | 51% | 0.513 | 36% | 0.355 | S | S | . | . | trans | -62.3 | 126.5 | 179.3 | -70 | -177.7 | 178.9 | -177.7 | 0 | 110.2 | R80 T85 L86 | R80-K83 WeakPolarHBondContact O-CB 3.3Å; R80-K83 WeakPolarHBondContact O-CG 3.48Å; R80-K83 PolarHBondContact O-N 3.29Å; R80-K83 VanDerWaalsContact O-N 3.13Å; K83-T85 PolarHBondContact O-N 3.43Å; K83-L86 HydrophobicContact CB-CD1 4.42Å; K83-L86 HydrophobicContact CB-CG 4.28Å; K83-L86 PolarHBondContact O-N 3.12Å | ||
| 84 | R | 86.1 | Confident | 90.9 | Very high | 246 Ų | 246 | 72.9 Ų | 72.9 | 93% | 0.928 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -11.7 | 178.5 | -66.9 | -173.5 | 176.1 | -170.5 | -0.9 | 113.8 | K82 L86 | K82-R84 PolarHBondContact O-N 3.19Å; R84-L86 VanDerWaalsContact C-N 3.27Å |
| 85 | T | 89.2 | Confident | 91 | Very high | 126 Ų | 126 | 74.1 Ų | 74.1 | 77% | 0.773 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -12 | 178.1 | 55 | 0 | 0 | 0 | 0 | 113.4 | K83 | K83-T85 PolarHBondContact O-N 3.43Š|
| 86 | L | 88.8 | Confident | 91.5 | Very high | 35 Ų | 35 | 71.3 Ų | 71.3 | 18% | 0.183 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -77.8 | 137.9 | 179.6 | -60.6 | 175.3 | 0 | 0 | 0 | 110.1 | R80 K83 R84 H90 L123 | R80-L86 WeakPolarHBondContact O-CD1 3.29Å; K83-L86 HydrophobicContact CB-CD1 4.42Å; K83-L86 HydrophobicContact CB-CG 4.28Å; K83-L86 PolarHBondContact O-N 3.12Å; R84-L86 VanDerWaalsContact C-N 3.27Å; L86-H90 HydrophobicContact CB-CB 4.42Å; L86-L123 HydrophobicContact CB-CD2 3.62Å; L86-L123 HydrophobicContact CD1-CD1 3.99Å; L86-L123 HydrophobicContact CD1-CD2 4.32Å |
| 87 | S | 89.4 | Confident | 91.9 | Very high | 60 Ų | 60 | 65.4 Ų | 65.4 | 42% | 0.42 | 31% | 0.312 | S | S | . | . | trans | -72 | 154.4 | 177.9 | 66.1 | 0 | 0 | 0 | 0 | 111.2 | D89 H90 L123 | S87-D89 PolarHBondContact O-N 2.94Å; S87-D89 VanDerWaalsContact O-N 3.09Å; S87-H90 WeakPolarHBondContact O-CB 3.49Å; S87-H90 PolarHBondContact O-N 3.46Å; S87-H90 VanDerWaalsContact O-N 3.12Å; S87-H90 PolarHBondContact OG-N 3.18Å; S87-L123 VanDerWaalsContact O-CD2 3.26Å; S87-L123 WeakPolarHBondContact O-CD2 3.29Å | ||
| 88 | P | 88.3 | Confident | 92.1 | Very high | 93 Ų | 93 | 65.3 Ų | 65.3 | 60% | 0.604 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.6 | 175.5 | -24 | 34.7 | 0 | 0 | 0 | 114.6 | E122 L123 G124 | P88-E122 WeakPolarHBondContact CA-O 3.48Å; P88-L123 CarbonylContact O-C 3.54Å; P88-L123 VanDerWaalsContact O-CA 3.29Å; P88-L123 WeakPolarHBondContact O-CA 3.25Å; P88-G124 WeakPolarHBondContact O-CA 3.05Å; P88-G124 PolarHBondContact O-N 3.3Å |
| 89 | D | 89.4 | Confident | 92.4 | Very high | 102 Ų | 102 | 65 Ų | 65 | 55% | 0.545 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 7.6 | -179.8 | -71 | -31.2 | 0 | 0 | 0 | 113 | S87 Y91 K92 L123 | S87-D89 PolarHBondContact O-N 2.94Å; S87-D89 VanDerWaalsContact O-N 3.09Å; D89-Y91 PolarHBondContact O-N 2.93Å; D89-Y91 VanDerWaalsContact O-N 3.15Å; D89-K92 HydrophobicContact CB-CB 4.5Å; D89-K92 HydrophobicContact CB-CD 4.25Å; D89-K92 WeakPolarHBondContact O-CB 3.46Å; D89-K92 WeakPolarHBondContact O-CG 3.37Å; D89-K92 PolarHBondContact O-N 3.31Å; D89-K92 VanDerWaalsContact O-N 3.07Å; D89-L123 CarbonylContact C-O 3.59Å |
| 90 | H | 91.6 | Very high | 92.7 | Very high | 46 Ų | 46 | 58.9 Ų | 58.9 | 21% | 0.213 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -33.6 | -169.6 | -171.1 | 82.7 | 0 | 0 | 0 | 113.7 | E52 L86 S87 L123 | E52-H90 IonicContact OE1-CD2 3.27Å; E52-H90 IonicContact OE1-CE1 2.94Å; E52-H90 IonicContact OE1-NE2 3.85Å; E52-H90 PolarHBondContact OE1-NE2 2.97Å; E52-H90 IonicContact OE2-CD2 3.32Å; E52-H90 IonicContact OE2-CE1 2.95Å; E52-H90 PolarHBondContact OE2-CE1 2.85Å; E52-H90 IonicContact OE2-NE2 3.65Å; E52-H90 PolarHBondContact OE2-NE2 3.26Å; L86-H90 HydrophobicContact CB-CB 4.42Å; S87-H90 WeakPolarHBondContact O-CB 3.49Å; S87-H90 PolarHBondContact O-N 3.46Å; S87-H90 VanDerWaalsContact O-N 3.12Å; S87-H90 PolarHBondContact OG-N 3.18Å; H90-L123 HydrophobicContact CB-CB 4.46Å; H90-L123 HydrophobicContact CB-CD2 4.17Å; H90-L123 PolarHBondContact N-O 3.32Å |
| 91 | Y | 94.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | 27.9 | 176.5 | -65.9 | -45.9 | 0 | 0 | 0 | 113.3 | L51 E52 I81 D89 H93 L94 L120 L123 A125 | L51-Y91 HydrophobicContact CB-CE1 4.11Å; E52-Y91 WeakPolarHBondContact OE1-CE1 3.43Å; E52-Y91 PolarHBondContact OE1-OH 2.92Å; I81-Y91 HydrophobicContact CG2-CE2 4.18Å; D89-Y91 PolarHBondContact O-N 2.93Å; D89-Y91 VanDerWaalsContact O-N 3.15Å; Y91-H93 PolarHBondContact O-N 2.96Å; Y91-L94 VanDerWaalsContact O-CB 3.29Å; Y91-L94 WeakPolarHBondContact O-CB 3.35Å; Y91-L94 PolarHBondContact O-N 3.02Å; Y91-L120 HydrophobicContact CD2-CD2 3.95Å; Y91-L120 HydrophobicContact CE2-CD2 4.38Å; Y91-L123 CarbonylContact C-O 3.55Å; Y91-L123 WeakPolarHBondContact CA-O 3.31Å; Y91-L123 HydrophobicContact CD2-CB 3.89Å; Y91-L123 HydrophobicContact CD2-CD1 3.67Å; Y91-L123 HydrophobicContact CD2-CG 4.44Å; Y91-L123 HydrophobicContact CE2-CD1 3.76Å; Y91-L123 HydrophobicContact CG-CB 4.5Å; Y91-L123 PolarHBondContact N-O 3.01Å; Y91-A125 WeakPolarHBondContact O-CA 3.25Å; Y91-A125 PolarHBondContact O-N 2.86Å |
| 92 | K | 92.2 | Very high | 92.7 | Very high | 129 Ų | 129 | 55.9 Ų | 55.9 | 56% | 0.561 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -26.4 | 180 | 70.7 | 177.1 | 174.9 | -174.8 | 0 | 115 | D89 G124 | D89-K92 HydrophobicContact CB-CB 4.5Å; D89-K92 HydrophobicContact CB-CD 4.25Å; D89-K92 WeakPolarHBondContact O-CB 3.46Å; D89-K92 WeakPolarHBondContact O-CG 3.37Å; D89-K92 PolarHBondContact O-N 3.31Å; D89-K92 VanDerWaalsContact O-N 3.07Å; K92-G124 WeakPolarHBondContact CA-O 3.45Å |
| 93 | H | 90.6 | Very high | 92.1 | Very high | 68 Ų | 68 | 52 Ų | 52 | 32% | 0.315 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -15.7 | 179.2 | 58.6 | -72.2 | 0 | 0 | 0 | 113.1 | L51 E52 E54 Y91 | L51-H93 PolarHBondContact O-NE2 3.02Å; L51-H93 VanDerWaalsContact O-NE2 3.12Å; E52-H93 PolarHBondContact O-NE2 2.88Å; E54-H93 PolarHBondContact O-CD2 2.83Å; E54-H93 VanDerWaalsContact O-CD2 3.23Å; Y91-H93 PolarHBondContact O-N 2.96Å |
| 94 | L | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -82.8 | 126.3 | -172.3 | -163.7 | 75.6 | 0 | 0 | 0 | 110.8 | L51 E54 V58 Y91 L120 A125 R126 | L51-L94 HydrophobicContact CD2-CD1 4.03Å; L51-L94 HydrophobicContact CD2-CD2 4.46Å; E54-L94 HydrophobicContact CB-CD1 4.33Å; V58-L94 HydrophobicContact CG2-CD1 3.74Å; Y91-L94 VanDerWaalsContact O-CB 3.29Å; Y91-L94 WeakPolarHBondContact O-CB 3.35Å; Y91-L94 PolarHBondContact O-N 3.02Å; L94-L120 HydrophobicContact CD2-CD2 4.11Å; L94-A125 HydrophobicContact CB-CB 4.01Å; L94-A125 HydrophobicContact CD2-CB 4.21Å; L94-R126 PolarHBondContact O-N 3.45Å | ||
| 95 | L | 95.8 | Very high | 91 | Very high | 27 Ų | 27 | 39.8 Ų | 39.8 | 14% | 0.141 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128 | 163.5 | -61.9 | -174 | 0 | 0 | 0 | 109.4 | V58 R126 F128 A158 M162 | V58-L95 PolarHBondContact N-O 2.85Å; L95-R126 CarbonylContact C-O 3.53Å; L95-R126 VanDerWaalsContact CA-O 3.27Å; L95-R126 WeakPolarHBondContact CA-O 3.48Å; L95-R126 HydrophobicContact CD2-CB 3.62Å; L95-F128 HydrophobicContact CB-CD1 3.86Å; L95-A158 HydrophobicContact CD1-CB 4.13Å; L95-M162 HydrophobicContact CB-CE 3.72Å; L95-M162 HydrophobicContact CD1-CE 3.44Å; L95-M162 VanDerWaalsContact CD1-CE 3.44Å; L95-M162 HydrophobicContact CD1-CG 3.52Å; L95-M162 HydrophobicContact CD1-SD 3.8Å; L95-M162 HydrophobicContact CG-CE 3.36Å; L95-M162 HydrophobicContact CG-CG 4.4Å; L95-M162 HydrophobicContact CG-SD 4.39Å |
| 96 | Y | 97.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 153.9 | -179.8 | 82 | -82.6 | 0 | 0 | 0 | 114.9 | V58 F60 L98 E117 L120 R121 A125 R126 Q127 F128 | V58-Y96 CarbonylContact O-C 3.59Å; V58-Y96 WeakPolarHBondContact O-CA 3.42Å; F60-Y96 HydrophobicContact CD2-CD2 4.46Å; Y96-L98 HydrophobicContact CD2-CB 4.35Å; Y96-L98 HydrophobicContact CE2-CB 4.37Å; Y96-E117 HydrophobicContact CE2-CG 4.38Å; Y96-E117 WeakPolarHBondContact OH-CG 3.32Å; Y96-L120 HydrophobicContact CD1-CB 4.37Å; Y96-L120 HydrophobicContact CD1-CD1 4.33Å; Y96-L120 HydrophobicContact CD2-CD1 4.01Å; Y96-L120 HydrophobicContact CE1-CB 4.1Å; Y96-L120 HydrophobicContact CE2-CD1 4.35Å; Y96-L120 HydrophobicContact CG-CD1 4.01Å; Y96-R121 HydrophobicContact CE1-CG 4.5Å; Y96-R121 WeakPolarHBondContact OH-CG 3.43Å; Y96-R121 PolarHBondContact OH-NE 3.12Å; Y96-A125 HydrophobicContact CD1-CB 3.84Å; Y96-A125 HydrophobicContact CE1-CB 4.11Å; Y96-R126 WeakPolarHBondContact CD1-O 3.26Å; Y96-R126 PolarHBondContact N-O 2.96Å; Y96-Q127 HydrophobicContact CE1-CB 4Å; Y96-Q127 HydrophobicContact CE2-CG 4.48Å; Y96-Q127 CarbonylContact O-C 3.48Å; Y96-Q127 VanDerWaalsContact O-CA 3.31Å; Y96-Q127 WeakPolarHBondContact O-CA 3.39Å; Y96-F128 VanDerWaalsContact O-CD1 3.22Å; Y96-F128 WeakPolarHBondContact O-CD1 3.45Å; Y96-F128 PolarHBondContact O-N 2.87Å |
| 97 | A | 97.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 152.5 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | V58 V59 F60 F128 Y129 W147 L151 | V58-A97 PolarHBondContact O-N 3.26Å; V59-A97 WeakPolarHBondContact CA-O 3.28Å; V59-A97 HydrophobicContact CG2-CB 4.43Å; F60-A97 PolarHBondContact N-O 3.27Å; A97-F128 HydrophobicContact CB-CD1 4.37Å; A97-F128 HydrophobicContact CB-CD2 4.48Å; A97-F128 HydrophobicContact CB-CE1 3.74Å; A97-F128 HydrophobicContact CB-CE2 3.84Å; A97-F128 HydrophobicContact CB-CZ 3.43Å; A97-F128 VanDerWaalsContact CB-CZ 3.43Å; A97-F128 VanDerWaalsContact N-CE1 3.32Å; A97-Y129 HydrophobicContact CB-CD1 4.5Å; A97-W147 HydrophobicContact CB-CZ2 4.34Å; A97-L151 HydrophobicContact CB-CD1 4.29Å |
| 98 | L | 98.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 133.1 | -175.7 | -167.9 | 144.6 | 0 | 0 | 0 | 111.1 | F60 V62 Y96 A100 I116 E117 T131 G132 | F60-L98 HydrophobicContact CB-CB 4.36Å; F60-L98 HydrophobicContact CB-CD1 3.97Å; F60-L98 HydrophobicContact CB-CG 3.95Å; F60-L98 CarbonylContact O-C 3.42Å; F60-L98 WeakPolarHBondContact O-CA 3.37Å; V62-L98 HydrophobicContact CG2-CD2 4.33Å; Y96-L98 HydrophobicContact CD2-CB 4.35Å; Y96-L98 HydrophobicContact CE2-CB 4.37Å; L98-A100 HydrophobicContact CD2-CB 3.73Å; L98-I116 HydrophobicContact CD1-CB 4.01Å; L98-I116 HydrophobicContact CD1-CG2 3.67Å; L98-E117 HydrophobicContact CD1-CB 4.38Å; L98-T131 HydrophobicContact CB-CG2 4.16Å; L98-T131 HydrophobicContact CD2-CG2 3.53Å; L98-T131 HydrophobicContact CG-CG2 4.46Å; L98-T131 CarbonylContact O-C 3.52Å; L98-T131 WeakPolarHBondContact O-CA 3.45Å; L98-T131 WeakPolarHBondContact O-CG2 3.25Å; L98-G132 PolarHBondContact O-N 3.48Å |
| 99 | L | 98.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 109.8 | 168.6 | -178.3 | 62.4 | 0 | 0 | 0 | 107.8 | I23 F60 V61 V62 L101 I144 W147 | I23-L99 HydrophobicContact CG2-CD2 3.77Å; F60-L99 PolarHBondContact O-N 3.03Å; V61-L99 WeakPolarHBondContact CA-O 3.15Å; V61-L99 HydrophobicContact CG1-CD2 4.27Å; V62-L99 PolarHBondContact N-O 3.46Å; L99-L101 HydrophobicContact CG-CD1 4.18Å; L99-I144 HydrophobicContact CD2-CG1 4.29Å; L99-W147 HydrophobicContact CB-CD2 4.47Å; L99-W147 HydrophobicContact CB-CE3 4.21Å; L99-W147 HydrophobicContact CB-CH2 3.82Å; L99-W147 HydrophobicContact CB-CZ2 4.08Å; L99-W147 HydrophobicContact CB-CZ3 3.87Å; L99-W147 HydrophobicContact CD1-CD2 4Å; L99-W147 HydrophobicContact CD1-CE3 4.08Å; L99-W147 HydrophobicContact CD1-CG 4.27Å; L99-W147 HydrophobicContact CD2-CE3 3.93Å; L99-W147 HydrophobicContact CD2-CZ3 3.95Å; L99-W147 HydrophobicContact CG-CE3 4.3Å; L99-W147 HydrophobicContact CG-CZ3 4.36Å |
| 100 | A | 97.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 131.1 | 178 | 0 | 0 | 0 | 0 | 0 | 109.7 | V62 L98 C110 G132 Y133 A134 | V62-A100 CarbonylContact O-C 3.5Å; V62-A100 WeakPolarHBondContact O-CA 3.44Å; L98-A100 HydrophobicContact CD2-CB 3.73Å; A100-C110 HydrophobicContact CB-CB 3.8Å; A100-G132 PolarHBondContact N-O 2.85Å; A100-Y133 HydrophobicContact CB-CD1 3.85Å; A100-Y133 HydrophobicContact CB-CE1 4.33Å; A100-Y133 CarbonylContact O-C 3.45Å; A100-A134 PolarHBondContact O-N 2.8Å |
| 101 | L | 95.8 | Very high | 88.9 | Confident | 7 Ų | 7 | 28.9 Ų | 28.9 | 4% | 0.037 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 132.8 | 170.9 | -76.1 | 72.3 | 0 | 0 | 0 | 109.1 | Q19 A20 I23 V61 V62 S63 T64 L99 C110 A134 L140 | Q19-L101 HydrophobicContact CB-CD2 4.11Å; A20-L101 HydrophobicContact CB-CD1 4.41Å; A20-L101 HydrophobicContact CB-CD2 4.29Å; I23-L101 HydrophobicContact CD1-CD1 4.06Å; I23-L101 HydrophobicContact CD1-CD2 3.53Å; I23-L101 HydrophobicContact CD1-CG 4.25Å; V61-L101 HydrophobicContact CG1-CD1 4.08Å; V62-L101 PolarHBondContact O-N 3.39Å; S63-L101 CarbonylContact C-O 3.48Å; S63-L101 WeakPolarHBondContact CA-O 3.32Å; T64-L101 PolarHBondContact N-O 3.12Å; T64-L101 PolarHBondContact OG1-O 2.85Å; L99-L101 HydrophobicContact CG-CD1 4.18Å; L101-C110 VanDerWaalsContact C-SG 3.55Å; L101-A134 HydrophobicContact CG-CB 4.38Å; L101-L140 HydrophobicContact CB-CD2 4.44Å; L101-L140 HydrophobicContact CD2-CD1 3.96Å; L101-L140 HydrophobicContact CD2-CD2 4.3Å; L101-L140 HydrophobicContact CG-CD2 4.13Å |
| 102 | G | 89.1 | Confident | 88.9 | Confident | 11 Ų | 11 | 28.9 Ų | 28.9 | 11% | 0.113 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | -173.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | C110 A134 D135 D136 | G102-C110 PolarHBondContact N-SG 3.46Å; G102-A134 PolarHBondContact N-O 2.93Å; G102-A134 VanDerWaalsContact O-O 3.14Å; G102-D135 WeakPolarHBondContact O-CA 3.42Å; G102-D136 PolarHBondContact O-N 3.42Å |
| 103 | D | 80.3 | Confident | 89.1 | Confident | 23 Ų | 23 | 22.8 Ų | 22.8 | 12% | 0.123 | 13% | 0.126 | C | C | . | . | trans | -136.7 | 123.3 | 177 | 179.3 | -10.3 | 0 | 0 | 0 | 107.5 | N105 Y106 D135 D136 G137 | D103-N105 PolarHBondContact O-N 2.81Å; D103-N105 WeakPolarHBondContact OD1-CB 3.44Å; D103-N105 PolarHBondContact OD1-N 3.42Å; D103-N105 PolarHBondContact OD1-ND2 2.91Å; D103-N105 PolarHBondContact OD2-ND2 2.96Å; D103-Y106 HydrophobicContact CB-CD2 3.76Å; D103-Y106 HydrophobicContact CB-CE2 4.18Å; D103-Y106 PolarHBondContact O-N 2.95Å; D103-D135 WeakPolarHBondContact CA-OD1 3.49Å; D103-D136 HydrophobicContact CB-CB 4.22Å; D103-G137 WeakPolarHBondContact OD1-CA 3.3Å | ||
| 104 | T | 81.4 | Confident | 89.3 | Confident | 68 Ų | 68 | 23.4 Ų | 23.4 | 42% | 0.417 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -11 | -179.5 | 52.9 | 0 | 0 | 0 | 0 | 113.4 | Y106 F109 D135 | T104-Y106 PolarHBondContact O-N 3.36Å; T104-F109 HydrophobicContact CG2-CB 4.46Å; T104-F109 HydrophobicContact CG2-CD1 4.03Å; T104-F109 HydrophobicContact CG2-CD2 3.67Å; T104-F109 HydrophobicContact CG2-CE1 4.15Å; T104-F109 HydrophobicContact CG2-CE2 3.82Å; T104-F109 HydrophobicContact CG2-CG 3.78Å; T104-F109 HydrophobicContact CG2-CZ 4.06Å; T104-D135 WeakPolarHBondContact CB-OD2 3.34Å; T104-D135 HydrophobicContact CG2-CB 4.34Å; T104-D135 VanDerWaalsContact CG2-CG 3.5Å; T104-D135 WeakPolarHBondContact CG2-OD2 3.41Å; T104-D135 PolarHBondContact N-OD1 2.85Å; T104-D135 VanDerWaalsContact OG1-CG 3.3Å; T104-D135 PolarHBondContact OG1-OD1 3.02Å; T104-D135 PolarHBondContact OG1-OD2 2.77Å |
| 105 | N | 70.9 | Confident | 89.4 | Confident | 39 Ų | 39 | 23.6 Ų | 23.6 | 21% | 0.209 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -19.9 | 167.1 | -64.5 | -49.7 | 0 | 0 | 0 | 112.4 | D103 A668 K669 | D103-N105 PolarHBondContact O-N 2.81Å; D103-N105 WeakPolarHBondContact OD1-CB 3.44Å; D103-N105 PolarHBondContact OD1-N 3.42Å; D103-N105 PolarHBondContact OD1-ND2 2.91Å; D103-N105 PolarHBondContact OD2-ND2 2.96Å; N105-A668 VanDerWaalsContact O-O 3.09Å; N105-K669 HydrophobicContact CB-CG 4.24Å |
| 106 | Y | 72.9 | Confident | 89.4 | Confident | 53 Ų | 53 | 22.3 Ų | 22.3 | 21% | 0.208 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -97.3 | 141.3 | 176 | -67.7 | -101.8 | 0 | 0 | 0 | 110.7 | D103 T104 N108 F109 A668 I711 | D103-Y106 HydrophobicContact CB-CD2 3.76Å; D103-Y106 HydrophobicContact CB-CE2 4.18Å; D103-Y106 PolarHBondContact O-N 2.95Å; T104-Y106 PolarHBondContact O-N 3.36Å; Y106-N108 PolarHBondContact O-N 3.31Å; Y106-F109 PolarHBondContact O-N 3.29Å; Y106-A668 HydrophobicContact CE1-CB 4.11Å; Y106-A668 HydrophobicContact CE2-CB 4.24Å; Y106-I711 HydrophobicContact CD1-CD1 3.81Å; Y106-I711 HydrophobicContact CD1-CG1 4.19Å; Y106-I711 HydrophobicContact CE1-CD1 3.99Å; Y106-I711 HydrophobicContact CE1-CG1 3.91Å |
| 107 | A | 69.6 | Low | 89.4 | Confident | 51 Ų | 51 | 22.8 Ų | 22.8 | 42% | 0.421 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -37.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F109 | A107-F109 PolarHBondContact O-N 3.33Š|
| 108 | N | 79.4 | Confident | 89.3 | Confident | 43 Ų | 43 | 28.7 Ų | 28.7 | 23% | 0.23 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 53.4 | -177 | -74.4 | -42.2 | 0 | 0 | 0 | 112.3 | D67 Y106 C110 N111 | D67-N108 PolarHBondContact O-ND2 2.79Å; D67-N108 PolarHBondContact OD1-ND2 2.78Å; Y106-N108 PolarHBondContact O-N 3.31Å; N108-C110 PolarHBondContact O-N 3.24Å; N108-N111 HydrophobicContact CB-CB 3.8Å; N108-N111 VanDerWaalsContact O-CB 3.25Å; N108-N111 WeakPolarHBondContact O-CB 3.33Å; N108-N111 PolarHBondContact O-N 3.05Å; N108-N111 VanDerWaalsContact O-N 3.07Å |
| 109 | F | 86.6 | Confident | 89.2 | Confident | 40 Ų | 40 | 30.9 Ų | 30.9 | 18% | 0.175 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | 121.9 | 178.7 | 175.3 | -119.9 | 0 | 0 | 0 | 112 | T104 Y106 A107 N111 K114 D135 | T104-F109 HydrophobicContact CG2-CB 4.46Å; T104-F109 HydrophobicContact CG2-CD1 4.03Å; T104-F109 HydrophobicContact CG2-CD2 3.67Å; T104-F109 HydrophobicContact CG2-CE1 4.15Å; T104-F109 HydrophobicContact CG2-CE2 3.82Å; T104-F109 HydrophobicContact CG2-CG 3.78Å; T104-F109 HydrophobicContact CG2-CZ 4.06Å; Y106-F109 PolarHBondContact O-N 3.29Å; A107-F109 PolarHBondContact O-N 3.33Å; F109-N111 PolarHBondContact O-N 2.83Å; F109-N111 VanDerWaalsContact O-N 3.14Å; F109-K114 VanDerWaalsContact O-CE 3.24Å; F109-K114 WeakPolarHBondContact O-CE 3.25Å; F109-K114 PolarHBondContact O-NZ 2.82Å; F109-D135 HydrophobicContact CE2-CB 3.86Å; F109-D135 HydrophobicContact CZ-CB 3.98Å |
| 110 | C | 91.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 25.2 | 179.8 | -74.2 | 0 | 0 | 0 | 0 | 115.2 | T64 A100 L101 G102 N108 C112 G113 K114 Y133 | T64-C110 WeakPolarHBondContact OG1-CA 3.33Å; A100-C110 HydrophobicContact CB-CB 3.8Å; L101-C110 VanDerWaalsContact C-SG 3.55Å; G102-C110 PolarHBondContact N-SG 3.46Å; N108-C110 PolarHBondContact O-N 3.24Å; C110-C112 VanDerWaalsContact C-N 3.31Å; C110-C112 PolarHBondContact O-N 2.89Å; C110-G113 PolarHBondContact O-N 2.96Å; C110-G113 VanDerWaalsContact O-N 3.07Å; C110-K114 WeakPolarHBondContact O-CG 3.48Å; C110-K114 PolarHBondContact O-N 3.33Å; C110-Y133 HydrophobicContact CB-CD1 3.64Å; C110-Y133 HydrophobicContact CB-CE1 4.35Å |
| 111 | N | 92.8 | Very high | 88.9 | Confident | 46 Ų | 46 | 36.5 Ų | 36.5 | 25% | 0.246 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.3 | -31.7 | -170.5 | -173.7 | 55.7 | 0 | 0 | 0 | 114.5 | T64 G68 N108 F109 T115 | T64-N111 HydrophobicContact CG2-CB 4.3Å; T64-N111 PolarHBondContact OG1-N 2.91Å; G68-N111 PolarHBondContact O-ND2 3.25Å; N108-N111 HydrophobicContact CB-CB 3.8Å; N108-N111 VanDerWaalsContact O-CB 3.25Å; N108-N111 WeakPolarHBondContact O-CB 3.33Å; N108-N111 PolarHBondContact O-N 3.05Å; N108-N111 VanDerWaalsContact O-N 3.07Å; F109-N111 PolarHBondContact O-N 2.83Å; F109-N111 VanDerWaalsContact O-N 3.14Å; N111-T115 WeakPolarHBondContact O-CB 3.32Å; N111-T115 PolarHBondContact O-N 3.03Å; N111-T115 PolarHBondContact O-OG1 3.44Å |
| 112 | C | 94.2 | Very high | 88.9 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.014 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.7 | -48.7 | 172.9 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | S63 T64 P70 C110 T115 I116 | S63-C112 WeakPolarHBondContact O-CB 3.22Å; T64-C112 HydrophobicContact CG2-CB 4.26Å; T64-C112 PolarHBondContact OG1-N 2.91Å; P70-C112 HydrophobicContact CB-CB 4.43Å; P70-C112 VanDerWaalsContact CB-SG 3.59Å; C110-C112 VanDerWaalsContact C-N 3.31Å; C110-C112 PolarHBondContact O-N 2.89Å; C112-T115 WeakPolarHBondContact O-CB 3.29Å; C112-T115 PolarHBondContact O-N 2.99Å; C112-I116 WeakPolarHBondContact O-CG1 3.5Å; C112-I116 PolarHBondContact O-N 2.69Å |
| 113 | G | 95.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.3 | -47.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C110 T115 I116 E117 | C110-G113 PolarHBondContact O-N 2.96Å; C110-G113 VanDerWaalsContact O-N 3.07Å; G113-T115 VanDerWaalsContact C-N 3.26Å; G113-T115 PolarHBondContact O-N 3.34Å; G113-I116 PolarHBondContact O-N 2.96Å; G113-E117 VanDerWaalsContact O-CB 3.32Å; G113-E117 WeakPolarHBondContact O-CB 3.45Å; G113-E117 PolarHBondContact O-N 3.34Å |
| 114 | K | 96 | Very high | 89.8 | Confident | 81 Ų | 81 | 40.1 Ų | 40.1 | 35% | 0.352 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58 | -39.2 | 174.9 | -69.1 | 172.8 | 175.9 | 167.6 | 0 | 112 | F109 C110 R118 Y133 | F109-K114 VanDerWaalsContact O-CE 3.24Å; F109-K114 WeakPolarHBondContact O-CE 3.25Å; F109-K114 PolarHBondContact O-NZ 2.82Å; C110-K114 WeakPolarHBondContact O-CG 3.48Å; C110-K114 PolarHBondContact O-N 3.33Å; K114-R118 VanDerWaalsContact O-CB 3.28Å; K114-R118 WeakPolarHBondContact O-CB 3.41Å; K114-R118 PolarHBondContact O-N 2.9Å; K114-Y133 HydrophobicContact CG-CE1 3.7Å |
| 115 | T | 95.3 | Very high | 90.5 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66 | -46.6 | 177.5 | -70.8 | 0 | 0 | 0 | 0 | 111.8 | V78 N111 C112 G113 R119 | V78-T115 HydrophobicContact CG1-CG2 4.08Å; N111-T115 WeakPolarHBondContact O-CB 3.32Å; N111-T115 PolarHBondContact O-N 3.03Å; N111-T115 PolarHBondContact O-OG1 3.44Å; C112-T115 WeakPolarHBondContact O-CB 3.29Å; C112-T115 PolarHBondContact O-N 2.99Å; G113-T115 VanDerWaalsContact C-N 3.26Å; G113-T115 PolarHBondContact O-N 3.34Å; T115-R119 WeakPolarHBondContact O-CB 3.14Å; T115-R119 WeakPolarHBondContact O-CG 3.1Å; T115-R119 PolarHBondContact O-N 3.27Å |
| 116 | I | 96.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.4 | -49.3 | 177.8 | -70.9 | 168.1 | 0 | 0 | 0 | 109.7 | V62 F77 V78 I81 L98 C112 G113 R118 R119 L120 | V62-I116 HydrophobicContact CB-CD1 4.38Å; V62-I116 HydrophobicContact CG1-CD1 3.9Å; V62-I116 HydrophobicContact CG2-CD1 4.17Å; F77-I116 HydrophobicContact CD1-CD1 4.37Å; F77-I116 HydrophobicContact CE1-CD1 4.08Å; F77-I116 HydrophobicContact CE1-CG1 4.13Å; F77-I116 HydrophobicContact CE1-CG2 4.24Å; V78-I116 HydrophobicContact CG2-CD1 3.92Å; V78-I116 HydrophobicContact CG2-CG1 3.86Å; I81-I116 HydrophobicContact CD1-CB 4.37Å; I81-I116 HydrophobicContact CD1-CG1 4.02Å; I81-I116 HydrophobicContact CD1-CG2 4.43Å; L98-I116 HydrophobicContact CD1-CB 4.01Å; L98-I116 HydrophobicContact CD1-CG2 3.67Å; C112-I116 WeakPolarHBondContact O-CG1 3.5Å; C112-I116 PolarHBondContact O-N 2.69Å; G113-I116 PolarHBondContact O-N 2.96Å; I116-R118 PolarHBondContact O-N 3.32Å; I116-R119 PolarHBondContact O-N 2.82Å; I116-L120 HydrophobicContact CG2-CD1 3.65Å; I116-L120 HydrophobicContact CG2-CG 4.12Å; I116-L120 WeakPolarHBondContact O-CB 3.34Å; I116-L120 VanDerWaalsContact O-CG 3.29Å; I116-L120 WeakPolarHBondContact O-CG 3.33Å; I116-L120 PolarHBondContact O-N 2.81Å |
| 117 | E | 96.3 | Very high | 92.8 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -56.3 | -51.6 | 178.3 | 179.8 | -176.8 | -144.4 | 0 | 0 | 112.4 | Y96 L98 G113 R119 L120 R121 T131 Y133 | Y96-E117 HydrophobicContact CE2-CG 4.38Å; Y96-E117 WeakPolarHBondContact OH-CG 3.32Å; L98-E117 HydrophobicContact CD1-CB 4.38Å; G113-E117 VanDerWaalsContact O-CB 3.32Å; G113-E117 WeakPolarHBondContact O-CB 3.45Å; G113-E117 PolarHBondContact O-N 3.34Å; E117-R119 PolarHBondContact O-N 2.96Å; E117-L120 PolarHBondContact O-N 3.05Å; E117-R121 VanDerWaalsContact CD-NH2 3.27Å; E117-R121 WeakPolarHBondContact O-CG 3.22Å; E117-R121 PolarHBondContact O-N 2.68Å; E117-R121 IonicContact OE1-CZ 2.72Å; E117-R121 IonicContact OE1-NH1 2.72Å; E117-R121 IonicContact OE1-NH2 3.02Å; E117-R121 PolarHBondContact OE1-NH2 2.7Å; E117-T131 VanDerWaalsContact CD-OG1 3.28Å; E117-T131 WeakPolarHBondContact OE1-CB 3.4Å; E117-T131 PolarHBondContact OE1-OG1 3Å; E117-Y133 PolarHBondContact OE2-OH 3.18Å |
| 118 | R | 95.8 | Very high | 94 | Very high | 124 Ų | 124 | 42.8 Ų | 42.8 | 47% | 0.468 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56.9 | -48.9 | 177.3 | 176.2 | -179.8 | 57.5 | -147 | -9.8 | 111.3 | K114 I116 R121 E122 | K114-R118 VanDerWaalsContact O-CB 3.28Å; K114-R118 WeakPolarHBondContact O-CB 3.41Å; K114-R118 PolarHBondContact O-N 2.9Å; I116-R118 PolarHBondContact O-N 3.32Å; R118-R121 PolarHBondContact O-N 3.04Å; R118-E122 HydrophobicContact CG-CG 4.48Å; R118-E122 WeakPolarHBondContact CG-OE1 3.07Å; R118-E122 WeakPolarHBondContact O-CB 3.34Å; R118-E122 VanDerWaalsContact O-CG 3.31Å; R118-E122 WeakPolarHBondContact O-CG 3.17Å; R118-E122 PolarHBondContact O-N 3.48Å |
| 119 | R | 95.9 | Very high | 94.9 | Very high | 45 Ų | 45 | 42.2 Ų | 42.2 | 17% | 0.17 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.5 | -37.8 | -178.5 | -72.1 | -57.5 | -58.5 | 164.8 | -1.1 | 112.7 | I81 K82 T115 I116 E117 E122 L123 | I81-R119 HydrophobicContact CD1-CB 3.99Å; I81-R119 HydrophobicContact CG1-CB 4.17Å; I81-R119 PolarHBondContact O-NE 2.92Å; I81-R119 PolarHBondContact O-NH2 2.69Å; K82-R119 HydrophobicContact CG-CG 4.22Å; T115-R119 WeakPolarHBondContact O-CB 3.14Å; T115-R119 WeakPolarHBondContact O-CG 3.1Å; T115-R119 PolarHBondContact O-N 3.27Å; I116-R119 PolarHBondContact O-N 2.82Å; E117-R119 PolarHBondContact O-N 2.96Å; R119-E122 VanDerWaalsContact CD-OE2 3.27Å; R119-E122 WeakPolarHBondContact CD-OE2 3.46Å; R119-E122 IonicContact CZ-OE2 3.65Å; R119-E122 IonicContact NE-OE2 2.9Å; R119-E122 IonicContact NH1-OE2 3.21Å; R119-E122 PolarHBondContact NH1-OE2 3.3Å; R119-E122 PolarHBondContact O-N 2.86Å; R119-L123 WeakPolarHBondContact O-CB 3.27Å; R119-L123 WeakPolarHBondContact O-CG 3.49Å; R119-L123 PolarHBondContact O-N 3.38Å |
| 120 | L | 95.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.1 | -43.6 | 175.8 | -74.4 | 177.5 | 0 | 0 | 0 | 111.3 | F60 Y91 L94 Y96 I116 E117 L123 G124 A125 | F60-L120 HydrophobicContact CD2-CD1 4.15Å; F60-L120 HydrophobicContact CE2-CD1 3.65Å; F60-L120 HydrophobicContact CZ-CD1 3.98Å; Y91-L120 HydrophobicContact CD2-CD2 3.95Å; Y91-L120 HydrophobicContact CE2-CD2 4.38Å; L94-L120 HydrophobicContact CD2-CD2 4.11Å; Y96-L120 HydrophobicContact CD1-CB 4.37Å; Y96-L120 HydrophobicContact CD1-CD1 4.33Å; Y96-L120 HydrophobicContact CD2-CD1 4.01Å; Y96-L120 HydrophobicContact CE1-CB 4.1Å; Y96-L120 HydrophobicContact CE2-CD1 4.35Å; Y96-L120 HydrophobicContact CG-CD1 4.01Å; I116-L120 HydrophobicContact CG2-CD1 3.65Å; I116-L120 HydrophobicContact CG2-CG 4.12Å; I116-L120 WeakPolarHBondContact O-CB 3.34Å; I116-L120 VanDerWaalsContact O-CG 3.29Å; I116-L120 WeakPolarHBondContact O-CG 3.33Å; I116-L120 PolarHBondContact O-N 2.81Å; E117-L120 PolarHBondContact O-N 3.05Å; L120-L123 CarbonylContact O-C 3.55Å; L120-L123 PolarHBondContact O-N 3.12Å; L120-G124 PolarHBondContact O-N 3.05Å; L120-A125 HydrophobicContact CB-CB 4.01Å; L120-A125 VanDerWaalsContact O-CB 3.24Å; L120-A125 WeakPolarHBondContact O-CB 3.4Å; L120-A125 PolarHBondContact O-N 2.81Å |
| 121 | R | 94.9 | Very high | 95.6 | Very high | 119 Ų | 119 | 45.6 Ų | 45.6 | 45% | 0.449 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 174.4 | -68.9 | -173.1 | -168.1 | 130 | 1 | 112.9 | Y96 E117 R118 L123 G124 | Y96-R121 HydrophobicContact CE1-CG 4.5Å; Y96-R121 WeakPolarHBondContact OH-CG 3.43Å; Y96-R121 PolarHBondContact OH-NE 3.12Å; E117-R121 VanDerWaalsContact CD-NH2 3.27Å; E117-R121 WeakPolarHBondContact O-CG 3.22Å; E117-R121 PolarHBondContact O-N 2.68Å; E117-R121 IonicContact OE1-CZ 2.72Å; E117-R121 IonicContact OE1-NH1 2.72Å; E117-R121 IonicContact OE1-NH2 3.02Å; E117-R121 PolarHBondContact OE1-NH2 2.7Å; R118-R121 PolarHBondContact O-N 3.04Å; R121-L123 PolarHBondContact O-N 3.11Å; R121-G124 PolarHBondContact O-N 3.4Å |
| 122 | E | 94.6 | Very high | 95.8 | Very high | 93 Ų | 93 | 43.6 Ų | 43.6 | 44% | 0.435 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63 | -22.3 | 176.9 | -74.5 | 170.7 | -173.8 | 0 | 0 | 112.9 | P88 R118 R119 | P88-E122 WeakPolarHBondContact CA-O 3.48Å; R118-E122 HydrophobicContact CG-CG 4.48Å; R118-E122 WeakPolarHBondContact CG-OE1 3.07Å; R118-E122 WeakPolarHBondContact O-CB 3.34Å; R118-E122 VanDerWaalsContact O-CG 3.31Å; R118-E122 WeakPolarHBondContact O-CG 3.17Å; R118-E122 PolarHBondContact O-N 3.48Å; R119-E122 VanDerWaalsContact CD-OE2 3.27Å; R119-E122 WeakPolarHBondContact CD-OE2 3.46Å; R119-E122 IonicContact CZ-OE2 3.65Å; R119-E122 IonicContact NE-OE2 2.9Å; R119-E122 IonicContact NH1-OE2 3.21Å; R119-E122 PolarHBondContact NH1-OE2 3.3Å; R119-E122 PolarHBondContact O-N 2.86Å |
| 123 | L | 95.2 | Very high | 95.9 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 2% | 0.016 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 11.1 | 174.2 | -63.1 | 172.8 | 0 | 0 | 0 | 112.5 | I81 L86 S87 P88 D89 H90 Y91 R119 L120 R121 | I81-L123 HydrophobicContact CB-CD1 4.34Å; L86-L123 HydrophobicContact CB-CD2 3.62Å; L86-L123 HydrophobicContact CD1-CD1 3.99Å; L86-L123 HydrophobicContact CD1-CD2 4.32Å; S87-L123 VanDerWaalsContact O-CD2 3.26Å; S87-L123 WeakPolarHBondContact O-CD2 3.29Å; P88-L123 CarbonylContact O-C 3.54Å; P88-L123 VanDerWaalsContact O-CA 3.29Å; P88-L123 WeakPolarHBondContact O-CA 3.25Å; D89-L123 CarbonylContact C-O 3.59Å; H90-L123 HydrophobicContact CB-CB 4.46Å; H90-L123 HydrophobicContact CB-CD2 4.17Å; H90-L123 PolarHBondContact N-O 3.32Å; Y91-L123 CarbonylContact C-O 3.55Å; Y91-L123 WeakPolarHBondContact CA-O 3.31Å; Y91-L123 HydrophobicContact CD2-CB 3.89Å; Y91-L123 HydrophobicContact CD2-CD1 3.67Å; Y91-L123 HydrophobicContact CD2-CG 4.44Å; Y91-L123 HydrophobicContact CE2-CD1 3.76Å; Y91-L123 HydrophobicContact CG-CB 4.5Å; Y91-L123 PolarHBondContact N-O 3.01Å; R119-L123 WeakPolarHBondContact O-CB 3.27Å; R119-L123 WeakPolarHBondContact O-CG 3.49Å; R119-L123 PolarHBondContact O-N 3.38Å; L120-L123 CarbonylContact O-C 3.55Å; L120-L123 PolarHBondContact O-N 3.12Å; R121-L123 PolarHBondContact O-N 3.11Å |
| 124 | G | 93.4 | Very high | 95.7 | Very high | 21 Ų | 21 | 47.1 Ų | 47.1 | 22% | 0.216 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -2.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | P88 K92 L120 R121 | P88-G124 WeakPolarHBondContact O-CA 3.05Å; P88-G124 PolarHBondContact O-N 3.3Å; K92-G124 WeakPolarHBondContact CA-O 3.45Å; L120-G124 PolarHBondContact O-N 3.05Å; R121-G124 PolarHBondContact O-N 3.4Å |
| 125 | A | 95.8 | Very high | 95.2 | Very high | 7 Ų | 7 | 44 Ų | 44 | 6% | 0.058 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -63.7 | 140.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y91 L94 Y96 L120 | Y91-A125 WeakPolarHBondContact O-CA 3.25Å; Y91-A125 PolarHBondContact O-N 2.86Å; L94-A125 HydrophobicContact CB-CB 4.01Å; L94-A125 HydrophobicContact CD2-CB 4.21Å; Y96-A125 HydrophobicContact CD1-CB 3.84Å; Y96-A125 HydrophobicContact CE1-CB 4.11Å; L120-A125 HydrophobicContact CB-CB 4.01Å; L120-A125 VanDerWaalsContact O-CB 3.24Å; L120-A125 WeakPolarHBondContact O-CB 3.4Å; L120-A125 PolarHBondContact O-N 2.81Å |
| 126 | R | 95.1 | Very high | 94.5 | Very high | 155 Ų | 155 | 48.4 Ų | 48.4 | 59% | 0.585 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 131.7 | -176.1 | -61.3 | 171.4 | -177 | -176.9 | 0.5 | 110.4 | L94 L95 Y96 | L94-R126 PolarHBondContact O-N 3.45Å; L95-R126 CarbonylContact C-O 3.53Å; L95-R126 VanDerWaalsContact CA-O 3.27Å; L95-R126 WeakPolarHBondContact CA-O 3.48Å; L95-R126 HydrophobicContact CD2-CB 3.62Å; Y96-R126 WeakPolarHBondContact CD1-O 3.26Å; Y96-R126 PolarHBondContact N-O 2.96Å |
| 127 | Q | 96.8 | Very high | 93.2 | Very high | 65 Ų | 65 | 50.2 Ų | 50.2 | 30% | 0.304 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 126.2 | 176.7 | -177 | 165.6 | 27.5 | 0 | 0 | 110.4 | Y96 Y129 T131 | Y96-Q127 HydrophobicContact CE1-CB 4Å; Y96-Q127 HydrophobicContact CE2-CG 4.48Å; Y96-Q127 CarbonylContact O-C 3.48Å; Y96-Q127 VanDerWaalsContact O-CA 3.31Å; Y96-Q127 WeakPolarHBondContact O-CA 3.39Å; Q127-Y129 WeakPolarHBondContact CG-O 3.4Å; Q127-Y129 PolarHBondContact NE2-O 3.33Å; Q127-T131 PolarHBondContact NE2-OG1 3.17Å |
| 128 | F | 95.9 | Very high | 92 | Very high | 39 Ų | 39 | 53.9 Ų | 53.9 | 17% | 0.171 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -100.2 | -18.8 | 176.7 | 72.9 | -97.8 | 0 | 0 | 0 | 113.8 | P57 V59 L95 Y96 A97 L151 I155 A158 | P57-F128 HydrophobicContact CB-CD1 4.37Å; P57-F128 HydrophobicContact CB-CE1 3.76Å; P57-F128 HydrophobicContact CB-CZ 4.04Å; V59-F128 HydrophobicContact CG2-CZ 4.16Å; L95-F128 HydrophobicContact CB-CD1 3.86Å; Y96-F128 VanDerWaalsContact O-CD1 3.22Å; Y96-F128 WeakPolarHBondContact O-CD1 3.45Å; Y96-F128 PolarHBondContact O-N 2.87Å; A97-F128 HydrophobicContact CB-CD1 4.37Å; A97-F128 HydrophobicContact CB-CD2 4.48Å; A97-F128 HydrophobicContact CB-CE1 3.74Å; A97-F128 HydrophobicContact CB-CE2 3.84Å; A97-F128 HydrophobicContact CB-CZ 3.43Å; A97-F128 VanDerWaalsContact CB-CZ 3.43Å; A97-F128 VanDerWaalsContact N-CE1 3.32Å; F128-L151 HydrophobicContact CE2-CD1 4.5Å; F128-I155 HydrophobicContact CE2-CG1 3.78Å; F128-I155 HydrophobicContact CZ-CG1 4.02Å; F128-A158 HydrophobicContact CB-CB 3.9Å; F128-A158 HydrophobicContact CD1-CB 4.43Å; F128-A158 HydrophobicContact CD2-CB 3.88Å; F128-A158 HydrophobicContact CG-CB 3.83Å |
| 129 | Y | 97.3 | Very high | 90.8 | Very high | 32 Ų | 32 | 48.4 Ų | 48.4 | 13% | 0.125 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -142.9 | 136.8 | 177.3 | -172.4 | -127.6 | 0 | 0 | 0 | 110.3 | A97 Q127 W147 G150 L151 S154 | A97-Y129 HydrophobicContact CB-CD1 4.5Å; Q127-Y129 WeakPolarHBondContact CG-O 3.4Å; Q127-Y129 PolarHBondContact NE2-O 3.33Å; Y129-W147 HydrophobicContact CD1-CD2 4.39Å; Y129-W147 AromaticContact CD1-CE2 3.61Å; Y129-W147 HydrophobicContact CD1-CH2 4.49Å; Y129-W147 AromaticContact CD1-CZ2 3.67Å; Y129-W147 HydrophobicContact CD1-CZ2 3.67Å; Y129-W147 AromaticContact CD1-NE1 3.58Å; Y129-W147 AromaticContact CE1-CD1 3.6Å; Y129-W147 AromaticContact CE1-CD2 3.75Å; Y129-W147 HydrophobicContact CE1-CD2 3.75Å; Y129-W147 AromaticContact CE1-CE2 3.39Å; Y129-W147 AromaticContact CE1-CG 3.89Å; Y129-W147 HydrophobicContact CE1-CG 3.89Å; Y129-W147 AromaticContact CE1-CZ2 3.9Å; Y129-W147 HydrophobicContact CE1-CZ2 3.9Å; Y129-W147 AromaticContact CE1-NE1 3.28Å; Y129-W147 VanDerWaalsContact CE1-NE1 3.28Å; Y129-W147 VanDerWaalsContact CE1-O 3.3Å; Y129-W147 WeakPolarHBondContact CE1-O 3.38Å; Y129-W147 PolarHBondContact OH-O 2.91Å; Y129-G150 WeakPolarHBondContact OH-CA 3.4Å; Y129-L151 HydrophobicContact CD1-CB 4.28Å; Y129-L151 HydrophobicContact CD1-CD1 3.73Å; Y129-L151 HydrophobicContact CE1-CB 3.92Å; Y129-L151 HydrophobicContact CE1-CD1 4.22Å; Y129-L151 PolarHBondContact OH-N 3.28Å; Y129-S154 WeakPolarHBondContact CD2-OG 3.3Å |
| 130 | P | 96.8 | Very high | 90 | Very high | 89 Ų | 89 | 47.2 Ų | 47.2 | 58% | 0.578 | 24% | 0.244 | S | C | * | . | P | Polyproline II helix | trans | -56 | 146.5 | -178.1 | -27.3 | 36.6 | 0 | 0 | 0 | 113.1 | G132 W147 | P130-G132 PolarHBondContact O-N 2.95Å; P130-W147 PolarHBondContact O-NE1 3.44Å |
| 131 | T | 97.4 | Very high | 89 | Confident | 21 Ų | 21 | 51.3 Ų | 51.3 | 13% | 0.129 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 129.1 | -179.1 | -61.9 | 0 | 0 | 0 | 0 | 110.4 | L98 E117 Q127 Y133 | L98-T131 HydrophobicContact CB-CG2 4.16Å; L98-T131 HydrophobicContact CD2-CG2 3.53Å; L98-T131 HydrophobicContact CG-CG2 4.46Å; L98-T131 CarbonylContact O-C 3.52Å; L98-T131 WeakPolarHBondContact O-CA 3.45Å; L98-T131 WeakPolarHBondContact O-CG2 3.25Å; E117-T131 VanDerWaalsContact CD-OG1 3.28Å; E117-T131 WeakPolarHBondContact OE1-CB 3.4Å; E117-T131 PolarHBondContact OE1-OG1 3Å; Q127-T131 PolarHBondContact NE2-OG1 3.17Å; T131-Y133 HydrophobicContact CG2-CD1 4.11Å; T131-Y133 HydrophobicContact CG2-CD2 4.39Å; T131-Y133 HydrophobicContact CG2-CE1 3.61Å; T131-Y133 HydrophobicContact CG2-CE2 3.95Å; T131-Y133 HydrophobicContact CG2-CG 4.48Å |
| 132 | G | 96.8 | Very high | 88 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 130.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | L98 A100 P130 W147 | L98-G132 PolarHBondContact O-N 3.48Å; A100-G132 PolarHBondContact N-O 2.85Å; P130-G132 PolarHBondContact O-N 2.95Å; G132-W147 VanDerWaalsContact N-NE1 3.2Å |
| 133 | Y | 96.1 | Very high | 87.8 | Confident | 76 Ų | 76 | 49 Ų | 49 | 30% | 0.298 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 92.3 | 173.1 | -59.3 | -76.8 | 0 | 0 | 0 | 109.2 | A100 C110 K114 E117 T131 | A100-Y133 HydrophobicContact CB-CD1 3.85Å; A100-Y133 HydrophobicContact CB-CE1 4.33Å; A100-Y133 CarbonylContact O-C 3.45Å; C110-Y133 HydrophobicContact CB-CD1 3.64Å; C110-Y133 HydrophobicContact CB-CE1 4.35Å; K114-Y133 HydrophobicContact CG-CE1 3.7Å; E117-Y133 PolarHBondContact OE2-OH 3.18Å; T131-Y133 HydrophobicContact CG2-CD1 4.11Å; T131-Y133 HydrophobicContact CG2-CD2 4.39Å; T131-Y133 HydrophobicContact CG2-CE1 3.61Å; T131-Y133 HydrophobicContact CG2-CE2 3.95Å; T131-Y133 HydrophobicContact CG2-CG 4.48Å |
| 134 | A | 91.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 133.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A100 L101 G102 L140 V143 I144 | A100-A134 PolarHBondContact O-N 2.8Å; L101-A134 HydrophobicContact CG-CB 4.38Å; G102-A134 PolarHBondContact N-O 2.93Å; G102-A134 VanDerWaalsContact O-O 3.14Å; A134-L140 HydrophobicContact CB-CB 4.4Å; A134-L140 HydrophobicContact CB-CD2 3.72Å; A134-V143 HydrophobicContact CB-CB 4.11Å; A134-V143 HydrophobicContact CB-CG1 4.39Å; A134-I144 HydrophobicContact CB-CD1 4.31Å; A134-I144 HydrophobicContact CB-CG1 3.85Å |
| 135 | D | 85.9 | Confident | 87 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 8% | 0.08 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 112.4 | -174.4 | -176.8 | 9.7 | 0 | 0 | 0 | 111.7 | G102 D103 T104 F109 G137 V138 G139 L140 | G102-D135 WeakPolarHBondContact O-CA 3.42Å; D103-D135 WeakPolarHBondContact CA-OD1 3.49Å; T104-D135 WeakPolarHBondContact CB-OD2 3.34Å; T104-D135 HydrophobicContact CG2-CB 4.34Å; T104-D135 VanDerWaalsContact CG2-CG 3.5Å; T104-D135 WeakPolarHBondContact CG2-OD2 3.41Å; T104-D135 PolarHBondContact N-OD1 2.85Å; T104-D135 VanDerWaalsContact OG1-CG 3.3Å; T104-D135 PolarHBondContact OG1-OD1 3.02Å; T104-D135 PolarHBondContact OG1-OD2 2.77Å; F109-D135 HydrophobicContact CE2-CB 3.86Å; F109-D135 HydrophobicContact CZ-CB 3.98Å; D135-G137 PolarHBondContact O-N 2.64Å; D135-G137 PolarHBondContact OD1-N 2.88Å; D135-V138 HydrophobicContact CB-CG2 3.85Å; D135-G139 CarbonylContact O-C 3.54Å; D135-G139 WeakPolarHBondContact O-CA 3.46Å; D135-G139 PolarHBondContact O-N 2.66Å; D135-L140 PolarHBondContact O-N 3.18Å |
| 136 | D | 81.6 | Confident | 86.6 | Confident | 99 Ų | 99 | 55 Ų | 55 | 53% | 0.529 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -25.8 | 177.7 | -156.9 | 30.2 | 0 | 0 | 0 | 112.1 | G102 D103 V138 G139 L140 | G102-D136 PolarHBondContact O-N 3.42Å; D103-D136 HydrophobicContact CB-CB 4.22Å; D136-V138 VanDerWaalsContact C-N 3.26Å; D136-V138 PolarHBondContact O-N 3.45Å; D136-G139 PolarHBondContact O-N 2.77Å; D136-L140 HydrophobicContact CB-CD2 3.97Å; D136-L140 HydrophobicContact CB-CG 4.13Å |
| 137 | G | 68.5 | Low | 86.6 | Confident | 38 Ų | 38 | 48.4 Ų | 48.4 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -29 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D103 D135 | D103-G137 WeakPolarHBondContact OD1-CA 3.3Å; D135-G137 PolarHBondContact O-N 2.64Å; D135-G137 PolarHBondContact OD1-N 2.88Å |
| 138 | V | 70.6 | Confident | 86.4 | Confident | 86 Ų | 86 | 46.4 Ų | 46.4 | 52% | 0.521 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -12.5 | 176.9 | -62.3 | 0 | 0 | 0 | 0 | 113.2 | D135 D136 L142 | D135-V138 HydrophobicContact CB-CG2 3.85Å; D136-V138 VanDerWaalsContact C-N 3.26Å; D136-V138 PolarHBondContact O-N 3.45Å; V138-L142 HydrophobicContact CB-CD1 4.19Å; V138-L142 HydrophobicContact CG2-CD1 3.94Å |
| 139 | G | 70.6 | Confident | 86 | Confident | 9 Ų | 9 | 52.1 Ų | 52.1 | 9% | 0.093 | 29% | 0.285 | C | S | . | . | trans | 112.8 | 116.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D135 D136 E141 L142 | D135-G139 CarbonylContact O-C 3.54Å; D135-G139 WeakPolarHBondContact O-CA 3.46Å; D135-G139 PolarHBondContact O-N 2.66Å; D136-G139 PolarHBondContact O-N 2.77Å; G139-E141 PolarHBondContact O-N 3.26Å; G139-E141 VanDerWaalsContact O-N 3.14Å; G139-L142 WeakPolarHBondContact O-CB 3.38Å; G139-L142 WeakPolarHBondContact O-CG 3.47Å; G139-L142 PolarHBondContact O-N 3.3Å | ||
| 140 | L | 78.6 | Confident | 85.8 | Confident | 20 Ų | 20 | 51.7 Ų | 51.7 | 11% | 0.105 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -36.7 | -175.6 | -64.5 | 170.7 | 0 | 0 | 0 | 113.8 | L101 A134 D135 D136 L142 V143 I144 | L101-L140 HydrophobicContact CB-CD2 4.44Å; L101-L140 HydrophobicContact CD2-CD1 3.96Å; L101-L140 HydrophobicContact CD2-CD2 4.3Å; L101-L140 HydrophobicContact CG-CD2 4.13Å; A134-L140 HydrophobicContact CB-CB 4.4Å; A134-L140 HydrophobicContact CB-CD2 3.72Å; D135-L140 PolarHBondContact O-N 3.18Å; D136-L140 HydrophobicContact CB-CD2 3.97Å; D136-L140 HydrophobicContact CB-CG 4.13Å; L140-L142 PolarHBondContact O-N 3.13Å; L140-L142 VanDerWaalsContact O-N 3.1Å; L140-V143 PolarHBondContact O-N 3.08Å; L140-V143 VanDerWaalsContact O-N 3.07Å; L140-I144 HydrophobicContact CB-CD1 3.61Å; L140-I144 HydrophobicContact CB-CG1 4.42Å; L140-I144 WeakPolarHBondContact O-CG1 3.5Å; L140-I144 PolarHBondContact O-N 3.47Å |
| 141 | E | 75.7 | Confident | 85.7 | Confident | 87 Ų | 87 | 47.5 Ų | 47.5 | 41% | 0.407 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.5 | -25.5 | -174.9 | -51 | -62.9 | -170 | 0 | 0 | 113.2 | G139 V143 D145 | G139-E141 PolarHBondContact O-N 3.26Å; G139-E141 VanDerWaalsContact O-N 3.14Å; E141-V143 PolarHBondContact O-N 3Å; E141-V143 VanDerWaalsContact O-N 3.16Å; E141-D145 WeakPolarHBondContact O-CB 3.44Å; E141-D145 PolarHBondContact O-N 3.18Å; E141-D145 VanDerWaalsContact O-N 3.1Å |
| 142 | L | 75.1 | Confident | 85.5 | Confident | 117 Ų | 117 | 46.9 Ų | 46.9 | 61% | 0.613 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -59.6 | -28.3 | 177.8 | -66.1 | 176.9 | 0 | 0 | 0 | 112.9 | V138 G139 L140 P146 | V138-L142 HydrophobicContact CB-CD1 4.19Å; V138-L142 HydrophobicContact CG2-CD1 3.94Å; G139-L142 WeakPolarHBondContact O-CB 3.38Å; G139-L142 WeakPolarHBondContact O-CG 3.47Å; G139-L142 PolarHBondContact O-N 3.3Å; L140-L142 PolarHBondContact O-N 3.13Å; L140-L142 VanDerWaalsContact O-N 3.1Å; L142-P146 WeakPolarHBondContact O-CD 3.41Å; L142-P146 VanDerWaalsContact O-CG 3.25Å; L142-P146 WeakPolarHBondContact O-CG 3.4Å |
| 143 | V | 88.5 | Confident | 85.3 | Confident | 45 Ų | 45 | 51.6 Ų | 51.6 | 27% | 0.273 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -106.5 | -39.8 | 177.9 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | A134 L140 E141 P146 W147 | A134-V143 HydrophobicContact CB-CB 4.11Å; A134-V143 HydrophobicContact CB-CG1 4.39Å; L140-V143 PolarHBondContact O-N 3.08Å; L140-V143 VanDerWaalsContact O-N 3.07Å; E141-V143 PolarHBondContact O-N 3Å; E141-V143 VanDerWaalsContact O-N 3.16Å; V143-P146 WeakPolarHBondContact O-CD 3.4Å; V143-P146 WeakPolarHBondContact O-CG 3.28Å; V143-W147 WeakPolarHBondContact O-CB 3.27Å; V143-W147 PolarHBondContact O-N 3.22Å |
| 144 | I | 88.1 | Confident | 85.3 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.2 | -51.5 | -176.7 | -65 | 174.1 | 0 | 0 | 0 | 110.7 | I23 L99 A134 L140 W147 L148 | I23-I144 HydrophobicContact CD1-CD1 3.39Å; I23-I144 HydrophobicContact CG1-CD1 4.08Å; I23-I144 HydrophobicContact CG2-CG2 4.45Å; L99-I144 HydrophobicContact CD2-CG1 4.29Å; A134-I144 HydrophobicContact CB-CD1 4.31Å; A134-I144 HydrophobicContact CB-CG1 3.85Å; L140-I144 HydrophobicContact CB-CD1 3.61Å; L140-I144 HydrophobicContact CB-CG1 4.42Å; L140-I144 WeakPolarHBondContact O-CG1 3.5Å; L140-I144 PolarHBondContact O-N 3.47Å; I144-W147 PolarHBondContact O-N 2.96Å; I144-L148 HydrophobicContact CG2-CD1 3.58Å; I144-L148 HydrophobicContact CG2-CG 3.97Å; I144-L148 WeakPolarHBondContact O-CB 3.4Å; I144-L148 WeakPolarHBondContact O-CG 3.24Å; I144-L148 PolarHBondContact O-N 3.39Å |
| 145 | D | 84 | Confident | 85.4 | Confident | 76 Ų | 76 | 49.1 Ų | 49.1 | 41% | 0.406 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.9 | -53 | -176.3 | -75.3 | -14.4 | 0 | 0 | 0 | 113.1 | E141 W147 K149 | E141-D145 WeakPolarHBondContact O-CB 3.44Å; E141-D145 PolarHBondContact O-N 3.18Å; E141-D145 VanDerWaalsContact O-N 3.1Å; D145-W147 VanDerWaalsContact C-N 3.34Å; D145-W147 PolarHBondContact O-N 3.5Å; D145-K149 PolarHBondContact O-N 3.32Å |
| 146 | P | 88.6 | Confident | 85.7 | Confident | 77 Ų | 77 | 52.3 Ų | 52.3 | 50% | 0.5 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68 | -33.6 | 177.6 | 25.3 | -33.3 | 0 | 0 | 0 | 112.5 | L142 V143 K149 G150 | L142-P146 WeakPolarHBondContact O-CD 3.41Å; L142-P146 VanDerWaalsContact O-CG 3.25Å; L142-P146 WeakPolarHBondContact O-CG 3.4Å; V143-P146 WeakPolarHBondContact O-CD 3.4Å; V143-P146 WeakPolarHBondContact O-CG 3.28Å; P146-K149 WeakPolarHBondContact O-CB 3.21Å; P146-K149 PolarHBondContact O-N 3.48Å; P146-G150 PolarHBondContact O-N 3.18Å |
| 147 | W | 95.3 | Very high | 86.2 | Confident | 17 Ų | 17 | 52 Ų | 52 | 6% | 0.064 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -67 | -45.8 | 180 | -174.3 | 88.5 | 0 | 0 | 0 | 111.8 | I27 V59 A97 L99 Y129 P130 G132 V143 I144 D145 K149 G150 L151 | I27-W147 HydrophobicContact CD1-CZ3 4.35Å; V59-W147 HydrophobicContact CG1-CH2 3.95Å; A97-W147 HydrophobicContact CB-CZ2 4.34Å; L99-W147 HydrophobicContact CB-CD2 4.47Å; L99-W147 HydrophobicContact CB-CE3 4.21Å; L99-W147 HydrophobicContact CB-CH2 3.82Å; L99-W147 HydrophobicContact CB-CZ2 4.08Å; L99-W147 HydrophobicContact CB-CZ3 3.87Å; L99-W147 HydrophobicContact CD1-CD2 4Å; L99-W147 HydrophobicContact CD1-CE3 4.08Å; L99-W147 HydrophobicContact CD1-CG 4.27Å; L99-W147 HydrophobicContact CD2-CE3 3.93Å; L99-W147 HydrophobicContact CD2-CZ3 3.95Å; L99-W147 HydrophobicContact CG-CE3 4.3Å; L99-W147 HydrophobicContact CG-CZ3 4.36Å; Y129-W147 HydrophobicContact CD1-CD2 4.39Å; Y129-W147 AromaticContact CD1-CE2 3.61Å; Y129-W147 HydrophobicContact CD1-CH2 4.49Å; Y129-W147 AromaticContact CD1-CZ2 3.67Å; Y129-W147 HydrophobicContact CD1-CZ2 3.67Å; Y129-W147 AromaticContact CD1-NE1 3.58Å; Y129-W147 AromaticContact CE1-CD1 3.6Å; Y129-W147 AromaticContact CE1-CD2 3.75Å; Y129-W147 HydrophobicContact CE1-CD2 3.75Å; Y129-W147 AromaticContact CE1-CE2 3.39Å; Y129-W147 AromaticContact CE1-CG 3.89Å; Y129-W147 HydrophobicContact CE1-CG 3.89Å; Y129-W147 AromaticContact CE1-CZ2 3.9Å; Y129-W147 HydrophobicContact CE1-CZ2 3.9Å; Y129-W147 AromaticContact CE1-NE1 3.28Å; Y129-W147 VanDerWaalsContact CE1-NE1 3.28Å; Y129-W147 VanDerWaalsContact CE1-O 3.3Å; Y129-W147 WeakPolarHBondContact CE1-O 3.38Å; Y129-W147 PolarHBondContact OH-O 2.91Å; P130-W147 PolarHBondContact O-NE1 3.44Å; G132-W147 VanDerWaalsContact N-NE1 3.2Å; V143-W147 WeakPolarHBondContact O-CB 3.27Å; V143-W147 PolarHBondContact O-N 3.22Å; I144-W147 PolarHBondContact O-N 2.96Å; D145-W147 VanDerWaalsContact C-N 3.34Å; D145-W147 PolarHBondContact O-N 3.5Å; W147-K149 VanDerWaalsContact C-N 3.26Å; W147-K149 PolarHBondContact O-N 3.34Å; W147-G150 PolarHBondContact O-N 2.99Å; W147-L151 HydrophobicContact CE3-CD2 4.5Å; W147-L151 HydrophobicContact CH2-CD1 3.74Å; W147-L151 HydrophobicContact CH2-CD2 3.99Å; W147-L151 HydrophobicContact CH2-CG 4.34Å; W147-L151 HydrophobicContact CZ2-CD1 4.17Å; W147-L151 HydrophobicContact CZ3-CB 4.42Å; W147-L151 HydrophobicContact CZ3-CD1 4.2Å; W147-L151 HydrophobicContact CZ3-CD2 3.68Å; W147-L151 HydrophobicContact CZ3-CG 4.31Å; W147-L151 PolarHBondContact O-N 2.92Å |
| 148 | L | 91.2 | Very high | 87.3 | Confident | 22 Ų | 22 | 50.3 Ų | 50.3 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.7 | -38.4 | 175.1 | -71.2 | 179.2 | 0 | 0 | 0 | 111.6 | I27 I144 G150 L151 W152 | I27-L148 HydrophobicContact CD1-CD2 3.76Å; I27-L148 HydrophobicContact CG1-CD2 3.49Å; I27-L148 VanDerWaalsContact CG1-CD2 3.49Å; I144-L148 HydrophobicContact CG2-CD1 3.58Å; I144-L148 HydrophobicContact CG2-CG 3.97Å; I144-L148 WeakPolarHBondContact O-CB 3.4Å; I144-L148 WeakPolarHBondContact O-CG 3.24Å; I144-L148 PolarHBondContact O-N 3.39Å; L148-G150 VanDerWaalsContact C-N 3.29Å; L148-G150 PolarHBondContact O-N 3.5Å; L148-L151 HydrophobicContact CD2-CD2 4.15Å; L148-L151 WeakPolarHBondContact O-CB 3.49Å; L148-L151 PolarHBondContact O-N 3.39Å; L148-L151 VanDerWaalsContact O-N 3.16Å; L148-W152 VanDerWaalsContact O-CD1 3.24Å; L148-W152 PolarHBondContact O-NE1 2.86Å |
| 149 | K | 88.4 | Confident | 88.2 | Confident | 160 Ų | 160 | 47.9 Ų | 47.9 | 70% | 0.696 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.9 | -37.3 | 179.5 | -154.6 | 179 | -174.9 | -175.9 | 0 | 113.1 | D145 P146 W147 | D145-K149 PolarHBondContact O-N 3.32Å; P146-K149 WeakPolarHBondContact O-CB 3.21Å; P146-K149 PolarHBondContact O-N 3.48Å; W147-K149 VanDerWaalsContact C-N 3.26Å; W147-K149 PolarHBondContact O-N 3.34Å |
| 150 | G | 92.3 | Very high | 89.1 | Confident | 23 Ų | 23 | 52 Ų | 52 | 24% | 0.237 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -84.4 | -24.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y129 P146 W147 L148 W152 N153 S154 | Y129-G150 WeakPolarHBondContact OH-CA 3.4Å; P146-G150 PolarHBondContact O-N 3.18Å; W147-G150 PolarHBondContact O-N 2.99Å; L148-G150 VanDerWaalsContact C-N 3.29Å; L148-G150 PolarHBondContact O-N 3.5Å; G150-W152 VanDerWaalsContact C-N 3.34Å; G150-W152 PolarHBondContact O-N 2.99Å; G150-N153 PolarHBondContact O-N 2.99Å; G150-S154 PolarHBondContact O-N 2.82Å; G150-S154 PolarHBondContact O-OG 3.04Å |
| 151 | L | 95.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.4 | -46 | -175.7 | 178.2 | 66.8 | 0 | 0 | 0 | 112.5 | I27 V59 A97 F128 Y129 W147 L148 N153 S154 I155 | I27-L151 HydrophobicContact CD1-CD2 4.36Å; I27-L151 HydrophobicContact CG2-CD2 4.23Å; V59-L151 HydrophobicContact CG2-CD1 4.2Å; A97-L151 HydrophobicContact CB-CD1 4.29Å; F128-L151 HydrophobicContact CE2-CD1 4.5Å; Y129-L151 HydrophobicContact CD1-CB 4.28Å; Y129-L151 HydrophobicContact CD1-CD1 3.73Å; Y129-L151 HydrophobicContact CE1-CB 3.92Å; Y129-L151 HydrophobicContact CE1-CD1 4.22Å; Y129-L151 PolarHBondContact OH-N 3.28Å; W147-L151 HydrophobicContact CE3-CD2 4.5Å; W147-L151 HydrophobicContact CH2-CD1 3.74Å; W147-L151 HydrophobicContact CH2-CD2 3.99Å; W147-L151 HydrophobicContact CH2-CG 4.34Å; W147-L151 HydrophobicContact CZ2-CD1 4.17Å; W147-L151 HydrophobicContact CZ3-CB 4.42Å; W147-L151 HydrophobicContact CZ3-CD1 4.2Å; W147-L151 HydrophobicContact CZ3-CD2 3.68Å; W147-L151 HydrophobicContact CZ3-CG 4.31Å; W147-L151 PolarHBondContact O-N 2.92Å; L148-L151 HydrophobicContact CD2-CD2 4.15Å; L148-L151 WeakPolarHBondContact O-CB 3.49Å; L148-L151 PolarHBondContact O-N 3.39Å; L148-L151 VanDerWaalsContact O-N 3.16Å; L151-N153 PolarHBondContact O-N 2.95Å; L151-S154 PolarHBondContact O-N 3.43Å; L151-S154 VanDerWaalsContact O-N 3.15Å; L151-I155 HydrophobicContact CD1-CD1 3.96Å; L151-I155 HydrophobicContact CD1-CG1 4.07Å; L151-I155 HydrophobicContact CD2-CD1 4.17Å; L151-I155 HydrophobicContact CG-CD1 3.71Å; L151-I155 HydrophobicContact CG-CG1 4.22Å; L151-I155 WeakPolarHBondContact O-CG1 3.37Å; L151-I155 PolarHBondContact O-N 3.34Å |
| 152 | W | 94.1 | Very high | 89.8 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 3% | 0.034 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.9 | -44.1 | -172.1 | -55.5 | 121 | 0 | 0 | 0 | 113.7 | F9 I27 E30 A31 H34 L36 L148 G150 I155 K156 | F9-W152 HydrophobicContact CZ-CZ3 4.15Å; I27-W152 HydrophobicContact CB-CH2 4.46Å; I27-W152 HydrophobicContact CG2-CH2 3.9Å; I27-W152 HydrophobicContact CG2-CZ3 4.31Å; I27-W152 VanDerWaalsContact O-CH2 3.3Å; I27-W152 WeakPolarHBondContact O-CH2 3.43Å; E30-W152 HydrophobicContact CB-CH2 3.75Å; E30-W152 HydrophobicContact CB-CZ2 3.44Å; E30-W152 VanDerWaalsContact CB-CZ2 3.44Å; E30-W152 HydrophobicContact CG-CZ2 4.46Å; E30-W152 WeakPolarHBondContact OE2-CZ2 3.07Å; A31-W152 HydrophobicContact CB-CH2 4.47Å; A31-W152 HydrophobicContact CB-CZ3 4.12Å; H34-W152 HydrophobicContact CB-CD2 4.38Å; H34-W152 HydrophobicContact CB-CE3 4.27Å; H34-W152 AromaticContact CD2-CD1 3.67Å; H34-W152 AromaticContact CD2-CD2 3.41Å; H34-W152 VanDerWaalsContact CD2-CD2 3.41Å; H34-W152 AromaticContact CD2-CE2 3.49Å; H34-W152 VanDerWaalsContact CD2-CE2 3.49Å; H34-W152 AromaticContact CD2-CE3 3.97Å; H34-W152 AromaticContact CD2-CG 3.56Å; H34-W152 AromaticContact CD2-NE1 3.6Å; H34-W152 AromaticContact CE1-CD1 3.58Å; H34-W152 AromaticContact CE1-CG 3.81Å; H34-W152 AromaticContact CG-CD2 3.83Å; H34-W152 AromaticContact CG-CG 3.72Å; H34-W152 AromaticContact ND1-CG 3.88Å; H34-W152 AromaticContact NE2-CD1 3.27Å; H34-W152 VanDerWaalsContact NE2-CD1 3.27Å; H34-W152 AromaticContact NE2-CD2 3.88Å; H34-W152 AromaticContact NE2-CE2 3.71Å; H34-W152 AromaticContact NE2-CG 3.62Å; H34-W152 AromaticContact NE2-NE1 3.29Å; H34-W152 PolarHBondContact NE2-NE1 3.12Å; L36-W152 HydrophobicContact CD1-CE3 4.13Å; L148-W152 VanDerWaalsContact O-CD1 3.24Å; L148-W152 PolarHBondContact O-NE1 2.86Å; G150-W152 VanDerWaalsContact C-N 3.34Å; G150-W152 PolarHBondContact O-N 2.99Å; W152-I155 HydrophobicContact CE3-CD1 4.32Å; W152-I155 PolarHBondContact O-N 3.06Å; W152-K156 WeakPolarHBondContact O-CG 3.44Å; W152-K156 PolarHBondContact O-N 3.23Å |
| 153 | N | 92.6 | Very high | 90.1 | Very high | 102 Ų | 102 | 51.4 Ų | 51.4 | 55% | 0.545 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.2 | -41.1 | 177.1 | -69.4 | -22.1 | 0 | 0 | 0 | 110.4 | G150 L151 I155 K156 D157 | G150-N153 PolarHBondContact O-N 2.99Å; L151-N153 PolarHBondContact O-N 2.95Å; N153-I155 PolarHBondContact O-N 2.89Å; N153-K156 PolarHBondContact O-N 3.4Å; N153-D157 VanDerWaalsContact O-CG 3.3Å; N153-D157 PolarHBondContact O-N 2.91Å |
| 154 | S | 94.4 | Very high | 89.5 | Confident | 25 Ų | 25 | 51.9 Ų | 51.9 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.9 | -33.7 | 178.3 | -58.6 | 0 | 0 | 0 | 0 | 113.6 | Y129 G150 L151 A158 | Y129-S154 WeakPolarHBondContact CD2-OG 3.3Å; G150-S154 PolarHBondContact O-N 2.82Å; G150-S154 PolarHBondContact O-OG 3.04Å; L151-S154 PolarHBondContact O-N 3.43Å; L151-S154 VanDerWaalsContact O-N 3.15Å; S154-A158 VanDerWaalsContact O-CB 3.29Å; S154-A158 WeakPolarHBondContact O-CB 3.39Å; S154-A158 PolarHBondContact O-N 3.3Å |
| 155 | I | 93.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 172 | -68.7 | 170.1 | 0 | 0 | 0 | 110.3 | F9 L36 V59 F128 L151 W152 N153 D157 A158 L159 | F9-I155 HydrophobicContact CB-CG2 4.34Å; F9-I155 HydrophobicContact CD1-CG2 4.3Å; F9-I155 HydrophobicContact CD2-CD1 3.98Å; F9-I155 HydrophobicContact CE1-CD1 4.34Å; F9-I155 HydrophobicContact CE2-CD1 3.77Å; F9-I155 HydrophobicContact CG-CD1 4.33Å; F9-I155 HydrophobicContact CG-CG2 4.29Å; F9-I155 HydrophobicContact CZ-CD1 3.97Å; L36-I155 HydrophobicContact CD1-CB 4.23Å; L36-I155 HydrophobicContact CD1-CG2 3.79Å; L36-I155 HydrophobicContact CD2-CG2 4.16Å; V59-I155 HydrophobicContact CG2-CD1 4.24Å; F128-I155 HydrophobicContact CE2-CG1 3.78Å; F128-I155 HydrophobicContact CZ-CG1 4.02Å; L151-I155 HydrophobicContact CD1-CD1 3.96Å; L151-I155 HydrophobicContact CD1-CG1 4.07Å; L151-I155 HydrophobicContact CD2-CD1 4.17Å; L151-I155 HydrophobicContact CG-CD1 3.71Å; L151-I155 HydrophobicContact CG-CG1 4.22Å; L151-I155 WeakPolarHBondContact O-CG1 3.37Å; L151-I155 PolarHBondContact O-N 3.34Å; W152-I155 HydrophobicContact CE3-CD1 4.32Å; W152-I155 PolarHBondContact O-N 3.06Å; N153-I155 PolarHBondContact O-N 2.89Å; I155-D157 PolarHBondContact O-N 2.7Å; I155-A158 PolarHBondContact O-N 3.17Å; I155-L159 HydrophobicContact CG2-CD1 3.82Å; I155-L159 HydrophobicContact CG2-CG 4.43Å; I155-L159 WeakPolarHBondContact O-CD1 3.21Å; I155-L159 VanDerWaalsContact O-CG 3.31Å; I155-L159 WeakPolarHBondContact O-CG 3.4Å; I155-L159 PolarHBondContact O-N 3.44Å |
| 156 | K | 93 | Very high | 88.2 | Confident | 81 Ų | 81 | 58.8 Ų | 58.8 | 35% | 0.352 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 178.2 | -69.7 | 176.3 | -177.7 | -174.4 | 0 | 111.4 | H34 L36 W152 N153 A158 L159 T160 | H34-K156 WeakPolarHBondContact O-CE 3.45Å; H34-K156 PolarHBondContact O-NZ 3.16Å; L36-K156 HydrophobicContact CD2-CG 4.36Å; W152-K156 WeakPolarHBondContact O-CG 3.44Å; W152-K156 PolarHBondContact O-N 3.23Å; N153-K156 PolarHBondContact O-N 3.4Å; K156-A158 VanDerWaalsContact C-N 3.33Å; K156-A158 PolarHBondContact O-N 3.09Å; K156-L159 WeakPolarHBondContact O-CB 3.42Å; K156-L159 PolarHBondContact O-N 2.91Å; K156-T160 PolarHBondContact O-N 2.79Å; K156-T160 PolarHBondContact O-OG1 3.25Å; K156-T160 VanDerWaalsContact O-OG1 3.07Å |
| 157 | D | 91.8 | Very high | 87 | Confident | 93 Ų | 93 | 60 Ų | 60 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 176.8 | -67.7 | -18.6 | 0 | 0 | 0 | 111.9 | N153 I155 T160 K161 | N153-D157 VanDerWaalsContact O-CG 3.3Å; N153-D157 PolarHBondContact O-N 2.91Å; I155-D157 PolarHBondContact O-N 2.7Å; D157-T160 PolarHBondContact O-N 3.11Å; D157-K161 WeakPolarHBondContact O-CG 3.19Å; D157-K161 PolarHBondContact O-N 3.33Å |
| 158 | A | 91 | Very high | 85.4 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 3% | 0.025 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | P57 L95 F128 S154 I155 K156 K161 M162 | P57-A158 HydrophobicContact CG-CB 4.17Å; L95-A158 HydrophobicContact CD1-CB 4.13Å; F128-A158 HydrophobicContact CB-CB 3.9Å; F128-A158 HydrophobicContact CD1-CB 4.43Å; F128-A158 HydrophobicContact CD2-CB 3.88Å; F128-A158 HydrophobicContact CG-CB 3.83Å; S154-A158 VanDerWaalsContact O-CB 3.29Å; S154-A158 WeakPolarHBondContact O-CB 3.39Å; S154-A158 PolarHBondContact O-N 3.3Å; I155-A158 PolarHBondContact O-N 3.17Å; K156-A158 VanDerWaalsContact C-N 3.33Å; K156-A158 PolarHBondContact O-N 3.09Å; A158-K161 PolarHBondContact O-N 2.85Å; A158-M162 WeakPolarHBondContact O-CB 3.42Å; A158-M162 WeakPolarHBondContact O-CG 3.32Å; A158-M162 PolarHBondContact O-N 3.37Å |
| 159 | L | 90.6 | Very high | 83.9 | Confident | 35 Ų | 35 | 67.7 Ų | 67.7 | 18% | 0.183 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 175.6 | -72.3 | 161.6 | 0 | 0 | 0 | 111.9 | P7 L36 P57 I155 K156 M162 A163 | P7-L159 HydrophobicContact CB-CD1 3.53Å; P7-L159 HydrophobicContact CB-CD2 4.24Å; P7-L159 HydrophobicContact CB-CG 4.41Å; P7-L159 HydrophobicContact CG-CD1 4.3Å; L36-L159 HydrophobicContact CD2-CD1 3.62Å; P57-L159 HydrophobicContact CG-CD2 3.86Å; P57-L159 HydrophobicContact CG-CG 3.95Å; I155-L159 HydrophobicContact CG2-CD1 3.82Å; I155-L159 HydrophobicContact CG2-CG 4.43Å; I155-L159 WeakPolarHBondContact O-CD1 3.21Å; I155-L159 VanDerWaalsContact O-CG 3.31Å; I155-L159 WeakPolarHBondContact O-CG 3.4Å; I155-L159 PolarHBondContact O-N 3.44Å; K156-L159 WeakPolarHBondContact O-CB 3.42Å; K156-L159 PolarHBondContact O-N 2.91Å; L159-M162 PolarHBondContact O-N 3.41Å; L159-A163 WeakPolarHBondContact O-CB 3.49Å; L159-A163 PolarHBondContact O-N 2.92Å |
| 160 | T | 88.4 | Confident | 82.2 | Confident | 96 Ų | 96 | 65.6 Ų | 65.6 | 59% | 0.589 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -63.7 | -44.7 | 175.9 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | K156 D157 A163 S164 | K156-T160 PolarHBondContact O-N 2.79Å; K156-T160 PolarHBondContact O-OG1 3.25Å; K156-T160 VanDerWaalsContact O-OG1 3.07Å; D157-T160 PolarHBondContact O-N 3.11Å; T160-A163 PolarHBondContact O-N 3.31Å; T160-S164 PolarHBondContact O-N 3.11Å; T160-S164 PolarHBondContact O-OG 3.33Å |
| 161 | K | 85.3 | Confident | 80.2 | Confident | 136 Ų | 136 | 72 Ų | 72 | 59% | 0.591 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.1 | -43 | 176.3 | -74.7 | 175.4 | -178.2 | 175.3 | 0 | 112.3 | D157 A158 A163 S164 D165 | D157-K161 WeakPolarHBondContact O-CG 3.19Å; D157-K161 PolarHBondContact O-N 3.33Å; A158-K161 PolarHBondContact O-N 2.85Å; K161-A163 VanDerWaalsContact C-N 3.3Å; K161-A163 PolarHBondContact O-N 2.93Å; K161-S164 WeakPolarHBondContact CA-OG 3.39Å; K161-S164 PolarHBondContact O-N 3.46Å; K161-S164 PolarHBondContact O-OG 2.85Å; K161-D165 VanDerWaalsContact O-CG 3.29Å; K161-D165 PolarHBondContact O-N 2.76Å |
| 162 | M | 83.1 | Confident | 78 | Confident | 24 Ų | 24 | 77.6 Ų | 77.6 | 12% | 0.118 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -62.3 | -37 | 175.1 | -75.7 | 179.4 | 147 | 0 | 0 | 112.4 | C55 P57 L95 A158 L159 R166 | C55-M162 WeakPolarHBondContact O-CE 3.35Å; P57-M162 HydrophobicContact CG-SD 3.98Å; L95-M162 HydrophobicContact CB-CE 3.72Å; L95-M162 HydrophobicContact CD1-CE 3.44Å; L95-M162 VanDerWaalsContact CD1-CE 3.44Å; L95-M162 HydrophobicContact CD1-CG 3.52Å; L95-M162 HydrophobicContact CD1-SD 3.8Å; L95-M162 HydrophobicContact CG-CE 3.36Å; L95-M162 HydrophobicContact CG-CG 4.4Å; L95-M162 HydrophobicContact CG-SD 4.39Å; A158-M162 WeakPolarHBondContact O-CB 3.42Å; A158-M162 WeakPolarHBondContact O-CG 3.32Å; A158-M162 PolarHBondContact O-N 3.37Å; L159-M162 PolarHBondContact O-N 3.41Å; M162-R166 WeakPolarHBondContact O-CG 3.32Å; M162-R166 PolarHBondContact O-N 2.86Å |
| 163 | A | 81.3 | Confident | 75.6 | Confident | 50 Ų | 50 | 82.3 Ų | 82.3 | 41% | 0.413 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -69.4 | -38.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L159 T160 K161 N167 | L159-A163 WeakPolarHBondContact O-CB 3.49Å; L159-A163 PolarHBondContact O-N 2.92Å; T160-A163 PolarHBondContact O-N 3.31Å; K161-A163 VanDerWaalsContact C-N 3.3Å; K161-A163 PolarHBondContact O-N 2.93Å; A163-N167 PolarHBondContact O-N 2.81Å; A163-N167 PolarHBondContact O-ND2 3.02Å |
| 164 | S | 77.3 | Confident | 73.4 | Confident | 55 Ų | 55 | 82 Ų | 82 | 39% | 0.385 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | 174.9 | 54.4 | 0 | 0 | 0 | 0 | 112.3 | T160 K161 R166 N167 V168 | T160-S164 PolarHBondContact O-N 3.11Å; T160-S164 PolarHBondContact O-OG 3.33Å; K161-S164 WeakPolarHBondContact CA-OG 3.39Å; K161-S164 PolarHBondContact O-N 3.46Å; K161-S164 PolarHBondContact O-OG 2.85Å; S164-R166 VanDerWaalsContact C-N 3.34Å; S164-R166 PolarHBondContact O-N 2.98Å; S164-N167 PolarHBondContact O-N 3.05Å; S164-N167 VanDerWaalsContact O-N 3.16Å; S164-V168 WeakPolarHBondContact O-CG2 3.27Å; S164-V168 PolarHBondContact O-N 3.01Å |
| 165 | D | 73.1 | Confident | 71.2 | Confident | 87 Ų | 87 | 84.8 Ų | 84.8 | 47% | 0.465 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.5 | -40.3 | -179.2 | -70.8 | -6 | 0 | 0 | 0 | 111.4 | K161 N167 V168 Q169 | K161-D165 VanDerWaalsContact O-CG 3.29Å; K161-D165 PolarHBondContact O-N 2.76Å; D165-N167 VanDerWaalsContact C-N 3.35Å; D165-N167 PolarHBondContact O-N 2.85Å; D165-V168 PolarHBondContact O-N 2.92Å; D165-Q169 PolarHBondContact O-N 3.34Å |
| 166 | R | 71.1 | Confident | 68.8 | Low | 139 Ų | 139 | 92.9 Ų | 92.9 | 53% | 0.525 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -38.9 | 174.2 | -71.7 | -179.6 | -163.7 | -171.5 | 10.7 | 112.7 | C55 M162 S164 V168 Q169 L170 | C55-R166 VanDerWaalsContact CB-NH2 3.3Å; C55-R166 PolarHBondContact O-NH2 3.09Å; M162-R166 WeakPolarHBondContact O-CG 3.32Å; M162-R166 PolarHBondContact O-N 2.86Å; S164-R166 VanDerWaalsContact C-N 3.34Å; S164-R166 PolarHBondContact O-N 2.98Å; R166-V168 VanDerWaalsContact C-N 3.33Å; R166-Q169 PolarHBondContact O-N 3.1Å; R166-L170 WeakPolarHBondContact O-CB 3.38Å; R166-L170 WeakPolarHBondContact O-CD1 3.36Å; R166-L170 WeakPolarHBondContact O-CG 3.45Å; R166-L170 PolarHBondContact O-N 3.42Å; R166-L170 VanDerWaalsContact O-N 3.08Å |
| 167 | N | 63.5 | Low | 66 | Low | 104 Ų | 104 | 97.4 Ų | 97.4 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.1 | -27.2 | 178.8 | -75.8 | -20.6 | 0 | 0 | 0 | 113 | A163 S164 D165 K171 | A163-N167 PolarHBondContact O-N 2.81Å; A163-N167 PolarHBondContact O-ND2 3.02Å; S164-N167 PolarHBondContact O-N 3.05Å; S164-N167 VanDerWaalsContact O-N 3.16Å; D165-N167 VanDerWaalsContact C-N 3.35Å; D165-N167 PolarHBondContact O-N 2.85Å; N167-K171 WeakPolarHBondContact O-CG 3.4Å; N167-K171 PolarHBondContact O-N 2.74Å |
| 168 | V | 61.8 | Low | 63.3 | Low | 83 Ų | 83 | 101 Ų | 101 | 50% | 0.503 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -75.5 | -44.4 | 173.1 | 175.1 | 0 | 0 | 0 | 0 | 110.5 | S164 D165 R166 L170 K171 E172 | S164-V168 WeakPolarHBondContact O-CG2 3.27Å; S164-V168 PolarHBondContact O-N 3.01Å; D165-V168 PolarHBondContact O-N 2.92Å; R166-V168 VanDerWaalsContact C-N 3.33Å; V168-L170 VanDerWaalsContact C-N 3.35Å; V168-L170 PolarHBondContact O-N 3.14Å; V168-K171 PolarHBondContact O-N 2.67Å; V168-K171 VanDerWaalsContact O-N 3.14Å; V168-E172 PolarHBondContact O-N 2.72Å; V168-E172 VanDerWaalsContact O-N 3.09Å |
| 169 | Q | 58.9 | Low | 61 | Low | 116 Ų | 116 | 106 Ų | 106 | 54% | 0.542 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.1 | -43.3 | 177.2 | -148 | 88.3 | 36 | 0 | 0 | 112.2 | D165 R166 K171 E172 D173 | D165-Q169 PolarHBondContact O-N 3.34Å; R166-Q169 PolarHBondContact O-N 3.1Å; Q169-K171 VanDerWaalsContact C-N 3.3Å; Q169-K171 PolarHBondContact O-N 2.99Å; Q169-E172 PolarHBondContact O-N 3.2Å; Q169-D173 PolarHBondContact O-N 2.91Å |
| 170 | L | 54.1 | Low | 58.1 | Low | 117 Ų | 117 | 113 Ų | 113 | 61% | 0.613 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.3 | -30.1 | 177.5 | -75.6 | 162.7 | 0 | 0 | 0 | 113.2 | R166 V168 S174 | R166-L170 WeakPolarHBondContact O-CB 3.38Å; R166-L170 WeakPolarHBondContact O-CD1 3.36Å; R166-L170 WeakPolarHBondContact O-CG 3.45Å; R166-L170 PolarHBondContact O-N 3.42Å; R166-L170 VanDerWaalsContact O-N 3.08Å; V168-L170 VanDerWaalsContact C-N 3.35Å; V168-L170 PolarHBondContact O-N 3.14Å; L170-S174 WeakPolarHBondContact O-CB 3.33Å; L170-S174 PolarHBondContact O-N 3.17Å; L170-S174 PolarHBondContact O-OG 2.94Å |
| 171 | K | 50.3 | Low | 55.2 | Low | 158 Ų | 158 | 113.8 Ų | 113.8 | 69% | 0.687 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -76.1 | -37.9 | 175.9 | -80.7 | -178.7 | 177.1 | -178.5 | 0 | 112.2 | N167 V168 Q169 S174 A175 | N167-K171 WeakPolarHBondContact O-CG 3.4Å; N167-K171 PolarHBondContact O-N 2.74Å; V168-K171 PolarHBondContact O-N 2.67Å; V168-K171 VanDerWaalsContact O-N 3.14Å; Q169-K171 VanDerWaalsContact C-N 3.3Å; Q169-K171 PolarHBondContact O-N 2.99Å; K171-S174 WeakPolarHBondContact CA-OG 3.48Å; K171-S174 PolarHBondContact O-N 3.44Å; K171-S174 PolarHBondContact O-OG 3.33Å; K171-A175 PolarHBondContact O-N 3.1Å |
| 172 | E | 48.9 | Very low | 52.4 | Low | 116 Ų | 116 | 113 Ų | 113 | 54% | 0.542 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.4 | -36.3 | 176.1 | -75.4 | -175.5 | 163 | 0 | 0 | 112.9 | V168 Q169 A175 | V168-E172 PolarHBondContact O-N 2.72Å; V168-E172 VanDerWaalsContact O-N 3.09Å; Q169-E172 PolarHBondContact O-N 3.2Å; E172-A175 PolarHBondContact O-N 3.21Å |
| 173 | D | 44.3 | Very low | 49.9 | Very low | 109 Ų | 109 | 119.9 Ų | 119.9 | 58% | 0.583 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.6 | -31.1 | 175.8 | -76.2 | -24.2 | 0 | 0 | 0 | 112.2 | Q169 A175 | Q169-D173 PolarHBondContact O-N 2.91Å; D173-A175 VanDerWaalsContact C-N 3.31Å; D173-A175 PolarHBondContact O-N 3.47Å |
| 174 | S | 45.5 | Very low | 48.5 | Very low | 94 Ų | 94 | 122.5 Ų | 122.5 | 66% | 0.657 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75.2 | -13.6 | 175 | 65.9 | 0 | 0 | 0 | 0 | 114.8 | L170 K171 | L170-S174 WeakPolarHBondContact O-CB 3.33Å; L170-S174 PolarHBondContact O-N 3.17Å; L170-S174 PolarHBondContact O-OG 2.94Å; K171-S174 WeakPolarHBondContact CA-OG 3.48Å; K171-S174 PolarHBondContact O-N 3.44Å; K171-S174 PolarHBondContact O-OG 3.33Å |
| 175 | A | 48.6 | Very low | 46 | Very low | 84 Ų | 84 | 127.4 Ų | 127.4 | 69% | 0.694 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 4.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114 | K171 E172 D173 | K171-A175 PolarHBondContact O-N 3.1Å; E172-A175 PolarHBondContact O-N 3.21Å; D173-A175 VanDerWaalsContact C-N 3.31Å; D173-A175 PolarHBondContact O-N 3.47Å |
| 176 | K | 42.8 | Very low | 44 | Very low | 171 Ų | 171 | 128.6 Ų | 128.6 | 74% | 0.743 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -107.7 | 10 | -173.5 | -83.4 | -177.7 | -180 | 169.3 | 0 | 116.2 | ||
| 177 | E | 33.5 | Very low | 41.7 | Very low | 175 Ų | 175 | 131.1 Ų | 131.1 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | -116.9 | 118.9 | 176.3 | -73.1 | -169.3 | 159.9 | 0 | 0 | 113.7 | ||||
| 178 | I | 36.1 | Very low | 40.1 | Very low | 168 Ų | 168 | 132.5 Ų | 132.5 | 86% | 0.862 | 72% | 0.719 | S | S | * | * | trans | 114 | 136.8 | 155.7 | -57.6 | 173.6 | 0 | 0 | 0 | 117 | ||||
| 179 | P | 42 | Very low | 38.4 | Very low | 108 Ų | 108 | 136.7 Ų | 136.7 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | -120.5 | 170.6 | -142.3 | 42.3 | -28.6 | 0 | 0 | 0 | 118.1 | ||||
| 180 | E | 30.2 | Very low | 36.8 | Very low | 183 Ų | 183 | 137.3 Ų | 137.3 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | trans | 48.4 | 123.7 | 153.4 | -75.2 | -174.2 | 165.4 | 0 | 0 | 122.6 | ||||
| 181 | S | 27.3 | Very low | 35.6 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | 166.1 | 153.5 | 96.5 | 54.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 182 | S | 26.5 | Very low | 34.4 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | 98.5 | 105.9 | 170.4 | 74.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 183 | L | 30.4 | Very low | 33.6 | Very low | 168 Ų | 168 | 138 Ų | 138 | 88% | 0.88 | 77% | 0.768 | S | S | * | * | trans | -101.1 | 174.3 | 153.9 | -80.1 | 167.5 | 0 | 0 | 0 | 107.7 | ||||
| 184 | P | 52.2 | Low | 32.7 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | cis | -131.7 | 176.5 | -9.9 | 27.5 | -4.9 | 0 | 0 | 0 | 112.5 | ||||
| 185 | D | 25.4 | Very low | 31.8 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | -177 | 155.6 | 118.6 | -115.2 | -31.3 | 0 | 0 | 0 | 115.4 | |||||
| 186 | V | 29.8 | Very low | 30.7 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | trans | -78.1 | 140.4 | -166.2 | 170.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 187 | Q | 24.6 | Very low | 29.8 | Very low | 192 Ų | 192 | 145.4 Ų | 145.4 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | -162.6 | 123 | 128.1 | -136.6 | 127.4 | 8.2 | 0 | 0 | 114.4 | |||||
| 188 | L | 29.6 | Very low | 29.4 | Very low | 133 Ų | 133 | 143.6 Ų | 143.6 | 70% | 0.696 | 79% | 0.791 | S | S | * | * | trans | -57.5 | 146.5 | 159.9 | -97.6 | 77.8 | 0 | 0 | 0 | 111.1 | ||||
| 189 | N | 25.5 | Very low | 28.7 | Very low | 170 Ų | 170 | 141.4 Ų | 141.4 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | -151.7 | 148.8 | 127 | -112.6 | -14 | 0 | 0 | 0 | 114.1 | |||||
| 190 | L | 26.3 | Very low | 27.7 | Very low | 129 Ų | 129 | 144.9 Ų | 144.9 | 68% | 0.675 | 80% | 0.795 | S | S | * | * | trans | -89.7 | 147.9 | -163.2 | -137.3 | 75 | 0 | 0 | 0 | 111.3 | ||||
| 191 | L | 28.2 | Very low | 28.7 | Very low | 139 Ų | 139 | 141 Ų | 141 | 73% | 0.728 | 79% | 0.786 | S | S | * | * | trans | 44.7 | 132.6 | 142.8 | -67.5 | 166 | 0 | 0 | 0 | 120.8 | ||||
| 192 | S | 24.8 | Very low | 28.4 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | -166.3 | 144.7 | 109.2 | 49.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 193 | I | 32.3 | Very low | 28.2 | Very low | 142 Ų | 142 | 141.2 Ų | 141.2 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | trans | -85 | 147.6 | 177.9 | -67.3 | 156 | 0 | 0 | 0 | 109.3 | ||||
| 194 | A | 25.4 | Very low | 27.8 | Very low | 100 Ų | 100 | 142 Ų | 142 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -159.9 | 123.9 | 142.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 195 | D | 27.1 | Very low | 26.4 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | -60.7 | 156.8 | 170.3 | -73 | -59.2 | 0 | 0 | 0 | 115 | ||||
| 196 | K | 25 | Very low | 26.3 | Very low | 201 Ų | 201 | 144.2 Ų | 144.2 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | 179.1 | 97.6 | 118.7 | -96.8 | 172 | -176.2 | -176.9 | 0 | 113.6 | |||||
| 197 | Q | 24.7 | Very low | 26.5 | Very low | 170 Ų | 170 | 144.1 Ų | 144.1 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | 27.1 | 140.2 | 119.5 | -109.4 | -177.3 | 11.9 | 0 | 0 | 123.2 | |||||
| 198 | I | 24.4 | Very low | 26.4 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | trans | 106.1 | 110.9 | 140 | -64.1 | 153.2 | 0 | 0 | 0 | 119 | ||||
| 199 | C | 21.5 | Very low | 26.2 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | 154.7 | 131.6 | 107.2 | -114.1 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 200 | E | 20.4 | Very low | 26 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | trans | -93.9 | -162 | 155.3 | -68.4 | -160 | 149.6 | 0 | 0 | 110.1 | ||||
| 201 | P | 50.9 | Low | 26.1 | Very low | 102 Ų | 102 | 140 Ų | 140 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | -124.6 | 176.6 | -86.1 | 38.5 | -20.6 | 0 | 0 | 0 | 112.3 | |||||
| 202 | D | 20.9 | Very low | 25.9 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | 154.9 | 153 | 153.4 | -92.9 | -21.8 | 0 | 0 | 0 | 108.8 | ||||
| 203 | S | 22.5 | Very low | 25.9 | Very low | 82 Ų | 82 | 140.1 Ų | 140.1 | 57% | 0.573 | 78% | 0.776 | S | S | * | * | cis | 168.2 | 167.7 | -11.5 | 61 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 204 | K | 23 | Very low | 25.5 | Very low | 184 Ų | 184 | 139.8 Ų | 139.8 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | 96.7 | 98 | 168 | -56.5 | 173.8 | -176.6 | 177.6 | 0 | 116.9 | ||||
| 205 | Y | 22.1 | Very low | 25.5 | Very low | 212 Ų | 212 | 146.1 Ų | 146.1 | 83% | 0.831 | 78% | 0.783 | S | S | * | * | 91.1 | 98.7 | 70.3 | -94.9 | -84.3 | 0 | 0 | 0 | 113.8 | |||||
| 206 | S | 22.7 | Very low | 25.4 | Very low | 97 Ų | 97 | 144.6 Ų | 144.6 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | 63.5 | 165.7 | 121.5 | -66.9 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 207 | P | 35.8 | Very low | 25.5 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | cis | -143 | 172.9 | -18.3 | 28.4 | -4.8 | 0 | 0 | 0 | 118 | ||||
| 208 | S | 22.3 | Very low | 25.6 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | 66.2 | 129.5 | 136.9 | 65.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 209 | L | 24.2 | Very low | 25.6 | Very low | 175 Ų | 175 | 136.4 Ų | 136.4 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | -156.9 | 125 | 122.1 | -104.1 | 155.5 | 0 | 0 | 0 | 110.6 | |||||
| 210 | A | 22.9 | Very low | 25.8 | Very low | 92 Ų | 92 | 135.5 Ų | 135.5 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | trans | -82.3 | 147.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 211 | I | 26.6 | Very low | 26 | Very low | 169 Ų | 169 | 133.3 Ų | 133.3 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | trans | -128.3 | 124.3 | 161.8 | -64.2 | -179.3 | 0 | 0 | 0 | 108.1 | ||||
| 212 | S | 24.6 | Very low | 24.7 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | -73.5 | 143.7 | -172.5 | 46.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 213 | D | 23.8 | Very low | 24.9 | Very low | 166 Ų | 166 | 137 Ų | 137 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | trans | -52.8 | 132.4 | 161.9 | -76.6 | -51.4 | 0 | 0 | 0 | 112.9 | ||||
| 214 | V | 25.9 | Very low | 24.9 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -122.9 | 114.3 | 161.7 | 178.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 215 | R | 24.3 | Very low | 24.9 | Very low | 233 Ų | 233 | 135.8 Ų | 135.8 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 135.6 | 174.4 | -166 | -176.8 | -146.3 | 175.8 | 6.1 | 109.4 | ||
| 216 | P | 25.8 | Very low | 25.2 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 145.9 | 171.9 | 30.5 | -30.7 | 0 | 0 | 0 | 111.4 | ||
| 217 | P | 26.1 | Very low | 25.5 | Very low | 119 Ų | 119 | 131.4 Ų | 131.4 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 163.8 | -177.5 | 34.2 | -33.3 | 0 | 0 | 0 | 112.8 | ||
| 218 | P | 27.7 | Very low | 25 | Very low | 111 Ų | 111 | 133.7 Ų | 133.7 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 143 | -177.6 | 33.5 | -32.2 | 0 | 0 | 0 | 112.2 | S220 | P218-S220 PolarHBondContact O-N 2.93Š|
| 219 | A | 24.2 | Very low | 25.2 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 88% | 0.876 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 119.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 220 | S | 25 | Very low | 25.3 | Very low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -109 | 121.2 | 174.7 | -51.3 | 0 | 0 | 0 | 0 | 109.1 | P218 | P218-S220 PolarHBondContact O-N 2.93Š| ||
| 221 | T | 25 | Very low | 25.5 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | -73.3 | 126.5 | 171 | -20.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 222 | V | 23 | Very low | 25.3 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -139.5 | 125.8 | 163.9 | 178.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 223 | Y | 24.6 | Very low | 25.4 | Very low | 202 Ų | 202 | 133.3 Ų | 133.3 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | trans | -78.1 | 155.6 | 166.1 | -81.6 | -93.3 | 0 | 0 | 0 | 111.1 | ||||
| 224 | T | 22.6 | Very low | 26 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | 115.4 | 133.2 | 144.6 | 67.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 225 | S | 23.7 | Very low | 26.2 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | 92.1 | 122.2 | 145 | 71.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 226 | A | 27.7 | Very low | 26.7 | Very low | 94 Ų | 94 | 128.6 Ų | 128.6 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | trans | -68.6 | 161.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 227 | P | 30.2 | Very low | 27.2 | Very low | 123 Ų | 123 | 128.5 Ų | 128.5 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | -139.9 | 151.6 | 117.2 | 32.2 | -16.3 | 0 | 0 | 0 | 114.9 | |||||
| 228 | N | 25.2 | Very low | 27.8 | Very low | 157 Ų | 157 | 132 Ų | 132 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | trans | -55.7 | 147.5 | 162.1 | -84.2 | -28.2 | 0 | 0 | 0 | 111.8 | ||||
| 229 | T | 26.4 | Very low | 28.5 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | 174.3 | 120.3 | 114.6 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 230 | Q | 25.8 | Very low | 29.6 | Very low | 181 Ų | 181 | 132.4 Ų | 132.4 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | 48.1 | 106.5 | 147.5 | -65.7 | 169.5 | -19.3 | 0 | 0 | 123 | ||||
| 231 | A | 27.7 | Very low | 31.6 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | 29.3 | 120.8 | 129.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 232 | C | 22.7 | Very low | 34.2 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | -165.4 | 132.4 | 123.7 | -106.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 233 | S | 26.1 | Very low | 37.2 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | 54.4 | 107.4 | 155.7 | 61.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 234 | E | 37.3 | Very low | 40.3 | Very low | 204 Ų | 204 | 117.8 Ų | 117.8 | 95% | 0.953 | 73% | 0.728 | S | S | * | * | trans | 26.3 | 97.1 | 137.6 | -64.6 | -175.5 | 160.5 | 0 | 0 | 118.3 | ||||
| 235 | G | 29.5 | Very low | 43.5 | Very low | 65 Ų | 65 | 112.2 Ų | 112.2 | 67% | 0.67 | 69% | 0.693 | S | S | * | * | trans | -150 | 116.3 | 155 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 236 | I | 33.7 | Very low | 46.8 | Very low | 165 Ų | 165 | 110.7 Ų | 110.7 | 85% | 0.846 | 68% | 0.679 | S | S | * | * | trans | -52.5 | 124.6 | 170.8 | -61.5 | 166.5 | 0 | 0 | 0 | 106.7 | Q238 | I236-Q238 PolarHBondContact O-N 3.34Š| ||
| 237 | P | 37.2 | Very low | 49.7 | Very low | 109 Ų | 109 | 108.1 Ų | 108.1 | 71% | 0.708 | 66% | 0.655 | S | S | * | * | trans | -65.4 | 110.7 | 174.3 | -6.2 | 19.7 | 0 | 0 | 0 | 106.7 | V239 | P237-V239 VanDerWaalsContact C-N 3.26Å; P237-V239 PolarHBondContact O-N 2.93Å | ||
| 238 | Q | 38.9 | Very low | 52.6 | Low | 192 Ų | 192 | 103.4 Ų | 103.4 | 90% | 0.897 | 63% | 0.625 | S | S | * | * | trans | -61.9 | 96.1 | 166.1 | -125.4 | -177.5 | -20.5 | 0 | 0 | 106.1 | I236 S240 | I236-Q238 PolarHBondContact O-N 3.34Å; Q238-S240 PolarHBondContact O-N 2.81Å | ||
| 239 | V | 41.5 | Very low | 55.6 | Low | 123 Ų | 123 | 98 Ų | 98 | 75% | 0.745 | 60% | 0.598 | S | S | * | * | trans | -59.4 | 111.3 | 170.3 | 179 | 0 | 0 | 0 | 0 | 105.6 | P237 L241 | P237-V239 VanDerWaalsContact C-N 3.26Å; P237-V239 PolarHBondContact O-N 2.93Å; V239-L241 PolarHBondContact O-N 3.19Å | ||
| 240 | S | 48.6 | Very low | 58.5 | Low | 103 Ų | 103 | 96 Ų | 96 | 72% | 0.72 | 59% | 0.587 | S | S | * | * | trans | -58.5 | 115.9 | 172.1 | 63.8 | 0 | 0 | 0 | 0 | 107.4 | Q238 A242 | Q238-S240 PolarHBondContact O-N 2.81Å; S240-A242 PolarHBondContact O-N 3.32Å | ||
| 241 | L | 66.8 | Low | 61.5 | Low | 132 Ų | 132 | 92.2 Ų | 92.2 | 69% | 0.691 | 58% | 0.578 | S | S | * | * | trans | -56.9 | 114.8 | 171.3 | -106.1 | 83.9 | 0 | 0 | 0 | 107.4 | V239 V249 | V239-L241 PolarHBondContact O-N 3.19Å; L241-V249 HydrophobicContact CB-CG1 4.28Å; L241-V249 WeakPolarHBondContact O-CG1 3.27Å | ||
| 242 | A | 78.8 | Confident | 64.4 | Low | 73 Ų | 73 | 88.5 Ų | 88.5 | 60% | 0.603 | 55% | 0.545 | S | S | * | . | trans | -91.1 | 138.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109 | S240 | S240-A242 PolarHBondContact O-N 3.32Š| ||
| 243 | A | 85.4 | Confident | 67.6 | Low | 28 Ų | 28 | 84.2 Ų | 84.2 | 23% | 0.231 | 52% | 0.516 | C | S | . | . | trans | -59.2 | 144.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | V249 Y433 | A243-V249 HydrophobicContact CB-CG1 4.29Å; A243-V249 HydrophobicContact CB-CG2 3.96Å; A243-Y433 HydrophobicContact CB-CE2 4.32Å; A243-Y433 VanDerWaalsContact CB-OH 3.3Å; A243-Y433 WeakPolarHBondContact CB-OH 3.33Å; A243-Y433 PolarHBondContact O-OH 3Å; A243-Y433 VanDerWaalsContact O-OH 3.09Å | ||
| 244 | S | 90.3 | Very high | 70.6 | Confident | 34 Ų | 34 | 86.4 Ų | 86.4 | 24% | 0.238 | 51% | 0.514 | C | S | . | . | trans | -148.8 | -177.6 | 179.5 | 77 | 0 | 0 | 0 | 0 | 110.1 | T246 S247 R417 | S244-T246 PolarHBondContact O-N 2.91Å; S244-T246 PolarHBondContact OG-N 2.94Å; S244-T246 PolarHBondContact OG-OG1 3.29Å; S244-S247 PolarHBondContact N-O 2.92Å; S244-S247 WeakPolarHBondContact OG-CB 3.41Å; S244-S247 PolarHBondContact OG-N 3Å; S244-R417 PolarHBondContact O-NH2 3.48Å | ||
| 245 | L | 91 | Very high | 73.1 | Confident | 10 Ų | 10 | 78.5 Ų | 78.5 | 5% | 0.052 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -56.6 | -41.7 | 172.8 | -178.7 | 64.8 | 0 | 0 | 0 | 111.7 | R417 L421 V434 L439 L444 A447 F448 | L245-R417 WeakPolarHBondContact O-CG 3.39Å; L245-R417 PolarHBondContact O-NE 3.41Å; L245-R417 VanDerWaalsContact O-NE 3.11Å; L245-L421 HydrophobicContact CD1-CD1 4.23Å; L245-V434 HydrophobicContact CD1-CG2 3.9Å; L245-L439 HydrophobicContact CD1-CD1 4.09Å; L245-L439 HydrophobicContact CD2-CD1 3.57Å; L245-L439 HydrophobicContact CG-CD1 4.44Å; L245-L444 HydrophobicContact CD1-CD2 4.09Å; L245-A447 HydrophobicContact CD2-CB 3.54Å; L245-A447 HydrophobicContact CG-CB 4.31Å; L245-F448 HydrophobicContact CG-CE2 4.42Å; L245-F448 HydrophobicContact CG-CZ 4.49Å |
| 246 | T | 92.2 | Very high | 76 | Confident | 81 Ų | 81 | 80.6 Ų | 80.6 | 50% | 0.497 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -100.3 | -13.3 | -172.8 | 52.2 | 0 | 0 | 0 | 0 | 114.2 | S244 A447 F448 | S244-T246 PolarHBondContact O-N 2.91Å; S244-T246 PolarHBondContact OG-N 2.94Å; S244-T246 PolarHBondContact OG-OG1 3.29Å; T246-A447 HydrophobicContact CG2-CB 3.97Å; T246-A447 WeakPolarHBondContact CG2-O 3.3Å; T246-F448 HydrophobicContact CG2-CE1 4.49Å |
| 247 | S | 89.4 | Confident | 78.6 | Confident | 40 Ų | 40 | 74.5 Ų | 74.5 | 28% | 0.28 | 45% | 0.454 | S | S | . | . | trans | -125.5 | 134.9 | -179.4 | -168.8 | 0 | 0 | 0 | 0 | 111.2 | S244 | S244-S247 PolarHBondContact N-O 2.92Å; S244-S247 WeakPolarHBondContact OG-CB 3.41Å; S244-S247 PolarHBondContact OG-N 3Å | ||
| 248 | S | 89.1 | Confident | 80.7 | Confident | 25 Ų | 25 | 73.1 Ų | 73.1 | 18% | 0.175 | 44% | 0.441 | C | S | . | . | trans | -107.9 | 162.1 | 171.8 | 62.5 | 0 | 0 | 0 | 0 | 111.8 | S253 E420 | S248-S253 WeakPolarHBondContact OG-CB 3.46Å; S248-E420 WeakPolarHBondContact CB-OE2 3.23Å; S248-E420 PolarHBondContact OG-OE1 2.77Å; S248-E420 PolarHBondContact OG-OE2 3.05Å | ||
| 249 | V | 89.3 | Confident | 82.8 | Confident | 43 Ų | 43 | 66.1 Ų | 66.1 | 26% | 0.261 | 41% | 0.411 | S | S | . | . | trans | -131.2 | 158.7 | 177.9 | -57.8 | 0 | 0 | 0 | 0 | 109.8 | L241 A243 L252 S253 | L241-V249 HydrophobicContact CB-CG1 4.28Å; L241-V249 WeakPolarHBondContact O-CG1 3.27Å; A243-V249 HydrophobicContact CB-CG1 4.29Å; A243-V249 HydrophobicContact CB-CG2 3.96Å; V249-L252 PolarHBondContact O-N 3.44Å; V249-S253 PolarHBondContact O-N 2.77Å; V249-S253 PolarHBondContact O-OG 2.61Å | ||
| 250 | P | 87.3 | Confident | 84.3 | Confident | 76 Ų | 76 | 62.3 Ų | 62.3 | 49% | 0.494 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | 145.7 | 174 | -24.7 | 35 | 0 | 0 | 0 | 111.5 | S253 E254 | P250-S253 WeakPolarHBondContact CA-OG 3.48Å; P250-S253 WeakPolarHBondContact CD-OG 3.28Å; P250-E254 HydrophobicContact CG-CG 4.38Å; P250-E254 WeakPolarHBondContact CG-OE1 3.5Å |
| 251 | P | 87.7 | Confident | 85.5 | Confident | 101 Ų | 101 | 60.2 Ų | 60.2 | 66% | 0.656 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -84.8 | -10.8 | 7.1 | 33.8 | -36.1 | 0 | 0 | 0 | 114.4 | S253 E254 S255 | P251-S253 PolarHBondContact O-N 3.37Å; P251-E254 PolarHBondContact O-N 3.31Å; P251-S255 WeakPolarHBondContact O-CB 3.27Å; P251-S255 PolarHBondContact O-N 2.88Å; P251-S255 PolarHBondContact O-OG 2.61Å |
| 252 | L | 89.1 | Confident | 86.3 | Confident | 19 Ų | 19 | 57.9 Ų | 57.9 | 10% | 0.099 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -43.1 | -172.2 | 179.6 | 61.7 | 0 | 0 | 0 | 112.2 | V249 E254 S255 L257 E420 Q425 D429 | V249-L252 PolarHBondContact O-N 3.44Å; L252-E254 PolarHBondContact O-N 2.9Å; L252-S255 WeakPolarHBondContact O-CB 3.3Å; L252-S255 PolarHBondContact O-N 3.42Å; L252-S255 VanDerWaalsContact O-N 3.11Å; L252-L257 HydrophobicContact CD1-CD2 4.02Å; L252-E420 HydrophobicContact CD1-CB 4.5Å; L252-E420 HydrophobicContact CD2-CB 4.24Å; L252-E420 HydrophobicContact CG-CB 4.31Å; L252-E420 HydrophobicContact CG-CG 4.28Å; L252-Q425 HydrophobicContact CD1-CB 3.7Å; L252-D429 HydrophobicContact CD2-CB 4.28Å; L252-D429 VanDerWaalsContact CD2-OD2 3.28Å; L252-D429 WeakPolarHBondContact CD2-OD2 3.39Å |
| 253 | S | 89.6 | Confident | 86.3 | Confident | 35 Ų | 35 | 55.8 Ų | 55.8 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -32.5 | 178.5 | 58.6 | 0 | 0 | 0 | 0 | 112.6 | S248 V249 P250 P251 R416 | S248-S253 WeakPolarHBondContact OG-CB 3.46Å; V249-S253 PolarHBondContact O-N 2.77Å; V249-S253 PolarHBondContact O-OG 2.61Å; P250-S253 WeakPolarHBondContact CA-OG 3.48Å; P250-S253 WeakPolarHBondContact CD-OG 3.28Å; P251-S253 PolarHBondContact O-N 3.37Å; S253-R416 PolarHBondContact O-NH2 3.13Å; S253-R416 VanDerWaalsContact O-NH2 3.11Å |
| 254 | E | 90.6 | Very high | 86 | Confident | 157 Ų | 157 | 56 Ų | 56 | 73% | 0.734 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -6.1 | -177.2 | -64.2 | 176.3 | -173.9 | 0 | 0 | 113.2 | P250 P251 L252 | P250-E254 HydrophobicContact CG-CG 4.38Å; P250-E254 WeakPolarHBondContact CG-OE1 3.5Å; P251-E254 PolarHBondContact O-N 3.31Å; L252-E254 PolarHBondContact O-N 2.9Å |
| 255 | S | 89.8 | Confident | 85.9 | Confident | 37 Ų | 37 | 56.9 Ų | 56.9 | 26% | 0.259 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -76.2 | 147.5 | -174.9 | -71.9 | 0 | 0 | 0 | 0 | 112.7 | P251 L252 R416 | P251-S255 WeakPolarHBondContact O-CB 3.27Å; P251-S255 PolarHBondContact O-N 2.88Å; P251-S255 PolarHBondContact O-OG 2.61Å; L252-S255 WeakPolarHBondContact O-CB 3.3Å; L252-S255 PolarHBondContact O-N 3.42Å; L252-S255 VanDerWaalsContact O-N 3.11Å; S255-R416 PolarHBondContact O-NH2 2.66Å |
| 256 | S | 90.1 | Very high | 85.8 | Confident | 109 Ų | 109 | 57.2 Ų | 57.2 | 76% | 0.762 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 130.8 | 161.3 | 56.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 257 | L | 88.3 | Confident | 85.9 | Confident | 37 Ų | 37 | 53.5 Ų | 53.5 | 19% | 0.194 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -103 | 131.8 | -172.1 | -57.3 | 179.9 | 0 | 0 | 0 | 111.1 | L252 V259 R416 Q419 E420 Q425 | L252-L257 HydrophobicContact CD1-CD2 4.02Å; L257-V259 HydrophobicContact CB-CG2 3.76Å; L257-V259 HydrophobicContact CD1-CG2 4.42Å; L257-V259 PolarHBondContact O-N 3.2Å; L257-R416 VanDerWaalsContact CD1-CZ 3.43Å; L257-R416 VanDerWaalsContact CD1-NH1 3.27Å; L257-Q419 HydrophobicContact CD1-CB 3.91Å; L257-E420 HydrophobicContact CD1-CB 4.34Å; L257-E420 HydrophobicContact CD1-CG 3.64Å; L257-E420 HydrophobicContact CD2-CG 4.21Å; L257-Q425 HydrophobicContact CD2-CB 4.21Å |
| 258 | N | 80.9 | Confident | 86 | Confident | 81 Ų | 81 | 54.6 Ų | 54.6 | 43% | 0.433 | 34% | 0.335 | S | S | . | . | trans | -90.9 | 93.3 | 163.6 | -166.6 | -85.6 | 0 | 0 | 0 | 107.8 | S423 K424 | N258-S423 WeakPolarHBondContact O-CA 3.44Å; N258-S423 WeakPolarHBondContact O-CB 3.36Å; N258-K424 HydrophobicContact CB-CB 4.33Å; N258-K424 HydrophobicContact CB-CD 4.09Å; N258-K424 HydrophobicContact CB-CG 4.25Å; N258-K424 PolarHBondContact O-N 3.09Å; N258-K424 WeakPolarHBondContact OD1-CD 3.29Å; N258-K424 WeakPolarHBondContact OD1-CE 3.35Å; N258-K424 PolarHBondContact OD1-NZ 2.85Å; N258-K424 VanDerWaalsContact OD1-NZ 3.16Å | ||
| 259 | V | 82.2 | Confident | 86.2 | Confident | 44 Ų | 44 | 55 Ų | 55 | 27% | 0.267 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -89.6 | 136.5 | -177.6 | 175.8 | 0 | 0 | 0 | 0 | 109.2 | L257 Q419 | L257-V259 HydrophobicContact CB-CG2 3.76Å; L257-V259 HydrophobicContact CD1-CG2 4.42Å; L257-V259 PolarHBondContact O-N 3.2Å; V259-Q419 HydrophobicContact CG2-CB 4.08Å; V259-Q419 HydrophobicContact CG2-CG 4.46Å |
| 260 | P | 72.8 | Confident | 86.4 | Confident | 43 Ų | 43 | 56.5 Ų | 56.5 | 28% | 0.279 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 156.1 | 177.2 | -24.9 | 33.9 | 0 | 0 | 0 | 113.3 | R403 C422 | P260-R403 HydrophobicContact CB-CG 4.5Å; P260-R403 VanDerWaalsContact O-CD 3.23Å; P260-R403 WeakPolarHBondContact O-CD 3.38Å; P260-R403 PolarHBondContact O-NE 3.27Å; P260-C422 WeakPolarHBondContact CD-O 3.49Å; P260-C422 WeakPolarHBondContact CG-O 3.16Å |
| 261 | A | 74.8 | Confident | 86.6 | Confident | 60 Ų | 60 | 54.9 Ų | 54.9 | 50% | 0.496 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 145.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | P263 | A261-P263 WeakPolarHBondContact O-CD 3.5Š|
| 262 | L | 82.6 | Confident | 86.8 | Confident | 83 Ų | 83 | 54.9 Ų | 54.9 | 44% | 0.435 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 123.7 | 176.5 | 179 | 66.8 | 0 | 0 | 0 | 108.8 | R403 A404 E407 | L262-R403 HydrophobicContact CD1-CG 4.5Å; L262-A404 HydrophobicContact CD1-CB 4.21Å; L262-E407 HydrophobicContact CD1-CG 3.83Å; L262-E407 HydrophobicContact CD2-CG 3.92Å |
| 263 | P | 79.3 | Confident | 86.6 | Confident | 29 Ų | 29 | 61.8 Ų | 61.8 | 19% | 0.188 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -57 | 133 | 174.6 | -25.5 | 35.6 | 0 | 0 | 0 | 111 | A261 A265 A400 L461 | A261-P263 WeakPolarHBondContact O-CD 3.5Å; P263-A265 PolarHBondContact O-N 3.03Å; P263-A400 HydrophobicContact CG-CB 3.98Å; P263-L461 HydrophobicContact CB-CD2 4.48Å |
| 264 | P | 79.4 | Confident | 85.5 | Confident | 33 Ų | 33 | 61.5 Ų | 61.5 | 21% | 0.214 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 119.2 | -179.6 | 27.1 | -32.5 | 0 | 0 | 0 | 110.8 | Y266 K367 K368 | P264-Y266 PolarHBondContact O-N 3.25Å; P264-K367 HydrophobicContact CB-CB 4.03Å; P264-K368 HydrophobicContact CB-CB 4.41Å; P264-K368 HydrophobicContact CG-CB 3.94Å; P264-K368 HydrophobicContact CG-CG 4.46Å |
| 265 | A | 88.3 | Confident | 84.1 | Confident | 51 Ų | 51 | 60.2 Ų | 60.2 | 42% | 0.421 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 133.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | P263 T366 | P263-A265 PolarHBondContact O-N 3.03Å; A265-T366 PolarHBondContact O-OG1 3.21Å |
| 266 | Y | 89.9 | Confident | 82.4 | Confident | 17 Ų | 17 | 62.7 Ų | 62.7 | 7% | 0.067 | 38% | 0.376 | C | S | . | . | trans | -136.2 | -8.8 | -172 | 70.8 | -88.3 | 0 | 0 | 0 | 114.7 | P264 L362 K363 T366 K368 A371 Q372 E460 | P264-Y266 PolarHBondContact O-N 3.25Å; Y266-L362 HydrophobicContact CD2-CD2 4.25Å; Y266-K363 PolarHBondContact O-N 2.85Å; Y266-T366 WeakPolarHBondContact CA-OG1 3.05Å; Y266-T366 WeakPolarHBondContact CB-OG1 3.4Å; Y266-K368 HydrophobicContact CD1-CB 4.47Å; Y266-K368 HydrophobicContact CD1-CD 3.27Å; Y266-K368 HydrophobicContact CD1-CG 4.46Å; Y266-K368 HydrophobicContact CD2-CD 4.24Å; Y266-K368 HydrophobicContact CE1-CD 3.63Å; Y266-K368 HydrophobicContact CG-CB 4.3Å; Y266-K368 HydrophobicContact CG-CD 3.61Å; Y266-A371 HydrophobicContact CD2-CB 3.91Å; Y266-A371 HydrophobicContact CG-CB 4.23Å; Y266-Q372 WeakPolarHBondContact CE2-O 3.34Å; Y266-E460 HydrophobicContact CD1-CB 4.46Å; Y266-E460 HydrophobicContact CD1-CG 3.83Å; Y266-E460 HydrophobicContact CE1-CB 3.73Å; Y266-E460 HydrophobicContact CE1-CG 3.43Å; Y266-E460 VanDerWaalsContact CE1-CG 3.43Å; Y266-E460 PolarHBondContact N-OE1 2.89Å | ||
| 267 | L | 92.8 | Very high | 80.3 | Confident | 3 Ų | 3 | 62.1 Ų | 62.1 | 2% | 0.016 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 136.2 | 177 | -60.4 | -178.7 | 0 | 0 | 0 | 111.3 | V269 I360 S361 L362 V373 P374 I459 E460 | L267-V269 HydrophobicContact CB-CG2 4.29Å; L267-I360 HydrophobicContact CB-CG2 4.42Å; L267-I360 HydrophobicContact CD1-CG2 4.04Å; L267-I360 HydrophobicContact CD2-CG2 3.84Å; L267-I360 HydrophobicContact CG-CG2 4.33Å; L267-S361 WeakPolarHBondContact CA-O 3.33Å; L267-L362 HydrophobicContact CD2-CD2 4.09Å; L267-V373 HydrophobicContact CD2-CG2 4.44Å; L267-P374 HydrophobicContact CD1-CG 4.26Å; L267-I459 HydrophobicContact CD1-CB 4.27Å; L267-I459 HydrophobicContact CD1-CG2 3.53Å; L267-E460 HydrophobicContact CB-CG 4.12Å; L267-E460 HydrophobicContact CD1-CG 3.68Å; L267-E460 HydrophobicContact CG-CG 3.81Å; L267-E460 PolarHBondContact N-OE1 3.34Å |
| 268 | D | 91.4 | Very high | 78.5 | Confident | 63 Ų | 63 | 65.6 Ų | 65.6 | 34% | 0.337 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 131.4 | 158.9 | -73 | -41.7 | 0 | 0 | 0 | 108.1 | S361 K363 | D268-S361 PolarHBondContact N-O 3.24Å; D268-S361 PolarHBondContact O-N 2.8Å; D268-K363 WeakPolarHBondContact OD2-CA 3.2Å; D268-K363 WeakPolarHBondContact OD2-CG 3.27Å |
| 269 | V | 93.5 | Very high | 76.9 | Confident | 34 Ų | 34 | 67.7 Ų | 67.7 | 21% | 0.206 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 122.8 | -174.9 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | L267 V358 Q359 I360 L455 I459 | L267-V269 HydrophobicContact CB-CG2 4.29Å; V269-V358 HydrophobicContact CG1-CG1 3.69Å; V269-Q359 WeakPolarHBondContact CA-O 3.36Å; V269-I360 HydrophobicContact CG2-CG1 4.5Å; V269-I360 HydrophobicContact CG2-CG2 4.48Å; V269-L455 HydrophobicContact CG1-CD2 3.85Å; V269-L455 HydrophobicContact CG1-CG 4.26Å; V269-I459 HydrophobicContact CG1-CD1 4.13Å; V269-I459 HydrophobicContact CG2-CD1 3.99Å |
| 270 | T | 93 | Very high | 74.9 | Confident | 75 Ų | 75 | 70.4 Ų | 70.4 | 46% | 0.46 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 147.4 | 176.5 | 58.8 | 0 | 0 | 0 | 0 | 110.2 | Q359 | T270-Q359 PolarHBondContact N-O 3.46Å; T270-Q359 PolarHBondContact O-N 3.34Å; T270-Q359 WeakPolarHBondContact OG1-CB 3.48Å |
| 271 | L | 93.1 | Very high | 73.6 | Confident | 42 Ų | 42 | 71.7 Ų | 71.7 | 22% | 0.22 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 123.2 | 179.7 | -64.9 | 172.8 | 0 | 0 | 0 | 108 | L350 Q353 H356 R357 V358 L383 L455 | L271-L350 HydrophobicContact CD1-CD2 4.04Å; L271-Q353 HydrophobicContact CD1-CB 4.08Å; L271-H356 HydrophobicContact CB-CB 3.97Å; L271-H356 HydrophobicContact CD2-CB 4.49Å; L271-R357 WeakPolarHBondContact CA-O 3.41Å; L271-V358 HydrophobicContact CD2-CB 4.4Å; L271-V358 HydrophobicContact CD2-CG1 4.48Å; L271-V358 HydrophobicContact CD2-CG2 3.87Å; L271-L383 HydrophobicContact CD1-CD2 4.14Å; L271-L383 HydrophobicContact CD2-CB 4.29Å; L271-L383 HydrophobicContact CD2-CD2 4.43Å; L271-L455 HydrophobicContact CD1-CD2 4.47Å; L271-L455 HydrophobicContact CD2-CD2 4.16Å |
| 272 | Q | 90.8 | Very high | 72.5 | Confident | 100 Ų | 100 | 73.5 Ų | 73.5 | 47% | 0.467 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 137.1 | -178.6 | -64.6 | -178 | 1.5 | 0 | 0 | 110.4 | H356 R357 Q359 | Q272-H356 CarbonylContact O-C 3.49Å; Q272-H356 VanDerWaalsContact O-CA 3.27Å; Q272-H356 WeakPolarHBondContact O-CA 3.49Å; Q272-H356 VanDerWaalsContact O-CB 3.29Å; Q272-H356 WeakPolarHBondContact O-CB 3.48Å; Q272-R357 PolarHBondContact N-O 3.14Å; Q272-R357 PolarHBondContact O-N 3.16Å; Q272-Q359 HydrophobicContact CG-CG 4.19Å |
| 273 | E | 85.4 | Confident | 70.9 | Confident | 165 Ų | 165 | 80.2 Ų | 80.2 | 77% | 0.771 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 138.9 | 172.6 | -73 | -177.5 | 176.9 | 0 | 0 | 110.4 | H356 | E273-H356 VanDerWaalsContact CG-NE2 3.27Å; E273-H356 WeakPolarHBondContact CG-NE2 3.14Å |
| 274 | A | 67.4 | Low | 69.6 | Low | 29 Ų | 29 | 82.3 Ų | 82.3 | 24% | 0.24 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -97.3 | 129.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q279 R357 | A274-Q279 HydrophobicContact CB-CG 4.49Å; A274-R357 HydrophobicContact CB-CG 3.98Å |
| 275 | D | 60.9 | Low | 68.1 | Low | 129 Ų | 129 | 82.9 Ų | 82.9 | 69% | 0.69 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 140.6 | 171.1 | -77.3 | -35.5 | 0 | 0 | 0 | 111.5 | A277 E278 | D275-A277 PolarHBondContact O-N 3.14Å; D275-E278 PolarHBondContact O-N 2.78Å; D275-E278 VanDerWaalsContact O-N 3.14Å |
| 276 | A | 52.4 | Low | 66.2 | Low | 89 Ų | 89 | 91 Ų | 91 | 74% | 0.736 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -19.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 277 | A | 47.3 | Very low | 64.6 | Low | 97 Ų | 97 | 94.1 Ų | 94.1 | 80% | 0.802 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -17.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D275 | D275-A277 PolarHBondContact O-N 3.14Š|
| 278 | E | 49.5 | Very low | 63.4 | Low | 111 Ų | 111 | 97.1 Ų | 97.1 | 52% | 0.519 | 54% | 0.54 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -3.6 | -173.7 | -71 | -168.1 | 164.2 | 0 | 0 | 114.5 | D275 A280 R357 | D275-E278 PolarHBondContact O-N 2.78Å; D275-E278 VanDerWaalsContact O-N 3.14Å; E278-A280 PolarHBondContact O-N 2.87Å; E278-A280 VanDerWaalsContact O-N 3.12Å; E278-R357 IonicContact OE2-CZ 2.81Å; E278-R357 IonicContact OE2-NH1 3.11Å; E278-R357 PolarHBondContact OE2-NH1 3.06Å |
| 279 | Q | 47.7 | Very low | 63 | Low | 125 Ų | 125 | 97.1 Ų | 97.1 | 58% | 0.584 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -11.7 | -178.2 | -68.3 | -179.9 | -3.9 | 0 | 0 | 114.3 | A274 | A274-Q279 HydrophobicContact CB-CG 4.49Š|
| 280 | A | 41.6 | Very low | 62.9 | Low | 101 Ų | 101 | 97.9 Ų | 97.9 | 84% | 0.835 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -8.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | E278 | E278-A280 PolarHBondContact O-N 2.87Å; E278-A280 VanDerWaalsContact O-N 3.12Å |
| 281 | A | 44.6 | Very low | 62.9 | Low | 69 Ų | 69 | 98.5 Ų | 98.5 | 57% | 0.57 | 53% | 0.532 | S | S | * | . | trans | -112.1 | 52.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R283 | A281-R283 PolarHBondContact O-N 3.07Å; A281-R283 VanDerWaalsContact O-N 3.15Å | ||
| 282 | E | 52.4 | Low | 62.9 | Low | 98 Ų | 98 | 96.5 Ų | 96.5 | 46% | 0.458 | 52% | 0.522 | S | S | . | . | trans | -77.3 | 96.9 | 169.5 | -70.2 | -171.9 | 159.9 | 0 | 0 | 109.5 | S382 F385 | E282-S382 PolarHBondContact OE1-OG 2.79Å; E282-F385 WeakPolarHBondContact OE2-CD2 3.38Å | ||
| 283 | R | 48.9 | Very low | 63.1 | Low | 224 Ų | 224 | 93.1 Ų | 93.1 | 85% | 0.845 | 51% | 0.509 | S | S | * | . | trans | -90 | 109.8 | 175.7 | -71.3 | -177.8 | 179.1 | 157.4 | 0.9 | 110 | A281 | A281-R283 PolarHBondContact O-N 3.07Å; A281-R283 VanDerWaalsContact O-N 3.15Å | ||
| 284 | L | 51.8 | Low | 63.5 | Low | 73 Ų | 73 | 85.5 Ų | 85.5 | 38% | 0.382 | 47% | 0.473 | S | S | . | . | trans | -62.4 | 148.1 | 168.8 | -69.8 | 141.3 | 0 | 0 | 0 | 110.5 | F385 | L284-F385 HydrophobicContact CD2-CE2 4.04Å; L284-F385 HydrophobicContact CD2-CZ 3.46Å; L284-F385 VanDerWaalsContact CD2-CZ 3.46Å; L284-F385 HydrophobicContact CG-CE2 4.44Å; L284-F385 HydrophobicContact CG-CZ 4.07Å | ||
| 285 | S | 47.4 | Very low | 64.6 | Low | 45 Ų | 45 | 85.9 Ų | 85.9 | 32% | 0.315 | 47% | 0.474 | S | S | . | . | trans | -50.1 | 163.6 | -176.7 | 63.1 | 0 | 0 | 0 | 0 | 116 | E287 R289 | S285-E287 PolarHBondContact O-N 3.2Å; S285-R289 PolarHBondContact OG-NH2 3.3Å | ||
| 286 | K | 48.2 | Very low | 66.1 | Low | 223 Ų | 223 | 85.4 Ų | 85.4 | 97% | 0.97 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -49.7 | 1.7 | 177.6 | -82.2 | 179.8 | 175.9 | 174.6 | 0 | 118.9 | ||
| 287 | E | 56.3 | Low | 68 | Low | 81 Ų | 81 | 82.6 Ų | 82.6 | 38% | 0.379 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -77.9 | 131.4 | 174.8 | -71.5 | 167.9 | -178.3 | 0 | 0 | 109.2 | S285 R289 K464 | S285-E287 PolarHBondContact O-N 3.2Å; E287-R289 HydrophobicContact CB-CG 4.39Å; E287-R289 PolarHBondContact O-N 3.35Å; E287-R289 IonicContact OE2-CZ 3.7Å; E287-R289 IonicContact OE2-NE 2.65Å; E287-R289 PolarHBondContact OE2-NE 2.91Å; E287-R289 IonicContact OE2-NH2 2.76Å; E287-R289 PolarHBondContact OE2-NH2 3.33Å; E287-K464 IonicContact OE1-NZ 3.48Å; E287-K464 PolarHBondContact OE1-NZ 2.91Å |
| 288 | A | 66.8 | Low | 70.1 | Confident | 67 Ų | 67 | 80.3 Ų | 80.3 | 55% | 0.554 | 42% | 0.419 | S | S | * | . | trans | -67.4 | 92.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y290 S534 | A288-Y290 HydrophobicContact CB-CE2 4.44Å; A288-S534 WeakPolarHBondContact O-CB 3.22Å | ||
| 289 | R | 84.6 | Confident | 72.1 | Confident | 63 Ų | 63 | 79.1 Ų | 79.1 | 24% | 0.238 | 41% | 0.413 | C | S | . | . | trans | -101.3 | 128.6 | 179 | -66.1 | 177.1 | -173.2 | 174.6 | 4.4 | 109.2 | S285 E287 F333 | S285-R289 PolarHBondContact OG-NH2 3.3Å; E287-R289 HydrophobicContact CB-CG 4.39Å; E287-R289 PolarHBondContact O-N 3.35Å; E287-R289 IonicContact OE2-CZ 3.7Å; E287-R289 IonicContact OE2-NE 2.65Å; E287-R289 PolarHBondContact OE2-NE 2.91Å; E287-R289 IonicContact OE2-NH2 2.76Å; E287-R289 PolarHBondContact OE2-NH2 3.33Å; R289-F333 HydrophobicContact CG-CD2 4.45Å; R289-F333 HydrophobicContact CG-CE1 4.48Å; R289-F333 HydrophobicContact CG-CE2 3.97Å; R289-F333 HydrophobicContact CG-CZ 3.99Å | ||
| 290 | Y | 90.1 | Very high | 74.1 | Confident | 50 Ų | 50 | 74.8 Ų | 74.8 | 20% | 0.196 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 124.2 | 176.9 | -57.1 | -77.6 | 0 | 0 | 0 | 108.8 | A288 F319 M322 H532 V533 | A288-Y290 HydrophobicContact CB-CE2 4.44Å; Y290-F319 HydrophobicContact CD1-CB 4.08Å; Y290-F319 AromaticContact CD1-CD1 3.42Å; Y290-F319 HydrophobicContact CD1-CD1 3.42Å; Y290-F319 VanDerWaalsContact CD1-CD1 3.42Å; Y290-F319 HydrophobicContact CD1-CD2 4.25Å; Y290-F319 AromaticContact CD1-CE1 3.83Å; Y290-F319 HydrophobicContact CD1-CE1 3.83Å; Y290-F319 AromaticContact CD1-CG 3.64Å; Y290-F319 HydrophobicContact CD1-CG 3.64Å; Y290-F319 HydrophobicContact CD1-CZ 4.41Å; Y290-F319 HydrophobicContact CE1-CB 4.37Å; Y290-F319 HydrophobicContact CE1-CD1 4.02Å; Y290-F319 HydrophobicContact CE1-CG 4.32Å; Y290-F319 HydrophobicContact CG-CD1 4.42Å; Y290-F319 HydrophobicContact CG-CG 4.33Å; Y290-M322 HydrophobicContact CD2-SD 4.15Å; Y290-M322 HydrophobicContact CG-SD 4.29Å; Y290-H532 CarbonylContact O-C 3.59Å; Y290-H532 VanDerWaalsContact O-CA 3.3Å; Y290-H532 WeakPolarHBondContact O-CA 3.36Å; Y290-V533 PolarHBondContact N-O 3.48Å; Y290-V533 PolarHBondContact O-N 3.24Å |
| 291 | E | 93.3 | Very high | 76.4 | Confident | 87 Ų | 87 | 70.1 Ų | 70.1 | 41% | 0.407 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 107.4 | 171.7 | -170.4 | -167 | -127.8 | 0 | 0 | 108.9 | F319 K530 I531 H532 | E291-F319 VanDerWaalsContact O-CE2 3.23Å; E291-F319 WeakPolarHBondContact O-CE2 3.23Å; E291-F319 WeakPolarHBondContact O-CZ 3.47Å; E291-K530 VanDerWaalsContact CD-CD 3.42Å; E291-K530 HydrophobicContact CG-CB 3.86Å; E291-K530 HydrophobicContact CG-CD 3.8Å; E291-K530 HydrophobicContact CG-CG 4.47Å; E291-K530 VanDerWaalsContact OE2-CD 3.23Å; E291-K530 WeakPolarHBondContact OE2-CD 3.42Å; E291-K530 IonicContact OE2-NZ 2.74Å; E291-K530 PolarHBondContact OE2-NZ 2.62Å; E291-I531 CarbonylContact C-O 3.44Å; E291-I531 WeakPolarHBondContact CA-O 3.29Å; E291-H532 IonicContact OE1-CE1 3.69Å |
| 292 | V | 93.6 | Very high | 78.3 | Confident | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 135.7 | -171.9 | -63.9 | 0 | 0 | 0 | 0 | 110.5 | L314 I316 F319 K530 I531 V533 | V292-L314 HydrophobicContact CG2-CB 4.11Å; V292-L314 HydrophobicContact CG2-CD1 3.93Å; V292-L314 HydrophobicContact CG2-CD2 4.46Å; V292-L314 HydrophobicContact CG2-CG 4.39Å; V292-I316 HydrophobicContact CG1-CG2 4.04Å; V292-F319 HydrophobicContact CG1-CD2 3.75Å; V292-F319 HydrophobicContact CG1-CE2 3.62Å; V292-K530 CarbonylContact O-C 3.6Å; V292-K530 WeakPolarHBondContact O-CA 3.49Å; V292-I531 HydrophobicContact CG2-CG1 3.93Å; V292-I531 PolarHBondContact N-O 3.15Å; V292-I531 PolarHBondContact O-N 3.02Å; V292-V533 HydrophobicContact CG1-CG2 4.03Å; V292-V533 HydrophobicContact CG2-CB 4.46Å; V292-V533 HydrophobicContact CG2-CG1 3.98Å; V292-V533 HydrophobicContact CG2-CG2 3.64Å |
| 293 | P | 94.4 | Very high | 79.3 | Confident | 30 Ų | 30 | 72.3 Ų | 72.3 | 20% | 0.195 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 146.4 | 175.7 | 28.9 | -28.9 | 0 | 0 | 0 | 111.5 | S295 L314 D315 L528 P529 K530 | P293-S295 PolarHBondContact O-N 3.21Å; P293-L314 WeakPolarHBondContact O-CA 3.37Å; P293-D315 WeakPolarHBondContact CD-O 3.03Å; P293-D315 HydrophobicContact CG-CB 3.84Å; P293-D315 PolarHBondContact O-N 3.45Å; P293-L528 HydrophobicContact CB-CB 3.97Å; P293-L528 HydrophobicContact CB-CD1 4.45Å; P293-P529 WeakPolarHBondContact CA-O 3.33Å; P293-K530 HydrophobicContact CB-CG 4.12Å |
| 294 | I | 94.1 | Very high | 80.5 | Confident | 5 Ų | 5 | 67.3 Ų | 67.3 | 3% | 0.026 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 105.5 | 170 | -59.8 | 171.1 | 0 | 0 | 0 | 107.5 | L312 E313 L314 L513 V514 P529 I531 | I294-L312 HydrophobicContact CD1-CD1 4.29Å; I294-L312 HydrophobicContact CG2-CD2 4.38Å; I294-E313 CarbonylContact C-O 3.57Å; I294-E313 WeakPolarHBondContact CA-O 3.46Å; I294-L314 HydrophobicContact CB-CD2 4.39Å; I294-L314 HydrophobicContact CG1-CD2 3.69Å; I294-L513 HydrophobicContact CD1-CD2 3.45Å; I294-L513 VanDerWaalsContact CD1-CD2 3.45Å; I294-L513 HydrophobicContact CD1-CG 4.3Å; I294-V514 HydrophobicContact CD1-CG1 3.94Å; I294-V514 HydrophobicContact CG2-CG1 4.27Å; I294-P529 HydrophobicContact CB-CG 4.29Å; I294-P529 HydrophobicContact CD1-CG 4.29Å; I294-P529 PolarHBondContact N-O 3.03Å; I294-I531 HydrophobicContact CD1-CG2 3.87Å; I294-I531 HydrophobicContact CG1-CG2 4.29Å |
| 295 | S | 91.6 | Very high | 81.6 | Confident | 36 Ų | 36 | 64.7 Ų | 64.7 | 25% | 0.252 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | -28.3 | 178.7 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | P293 E313 | P293-S295 PolarHBondContact O-N 3.21Å; S295-E313 PolarHBondContact N-O 3Å; S295-E313 VanDerWaalsContact OG-CG 3.28Å; S295-E313 WeakPolarHBondContact OG-CG 3.26Å; S295-E313 PolarHBondContact OG-O 3.29Å; S295-E313 PolarHBondContact OG-OE1 3.35Å |
| 296 | K | 91.4 | Very high | 83.1 | Confident | 119 Ų | 119 | 66.7 Ų | 66.7 | 52% | 0.517 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 143.9 | -177 | -163.9 | 176.7 | 178.3 | 174.9 | 0 | 112 | V298 L312 E313 | K296-V298 HydrophobicContact CD-CG2 4.28Å; K296-V298 HydrophobicContact CG-CG2 4.09Å; K296-L312 CarbonylContact O-C 2.85Å; K296-L312 WeakPolarHBondContact O-CA 3.5Å; K296-E313 HydrophobicContact CB-CB 3.74Å; K296-E313 PolarHBondContact N-O 3.11Å; K296-E313 PolarHBondContact O-N 2.84Å |
| 297 | A | 92.3 | Very high | 84.9 | Confident | 31 Ų | 31 | 60.8 Ų | 60.8 | 26% | 0.256 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 130.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | L311 L312 V514 | A297-L311 CarbonylContact C-O 3.55Å; A297-L311 WeakPolarHBondContact CA-O 3.33Å; A297-L312 HydrophobicContact CB-CD2 3.41Å; A297-L312 VanDerWaalsContact CB-CD2 3.41Å; A297-V514 HydrophobicContact CB-CB 3.71Å; A297-V514 HydrophobicContact CB-CG1 3.9Å; A297-V514 HydrophobicContact CB-CG2 4.04Å |
| 298 | V | 90.9 | Very high | 86.5 | Confident | 49 Ų | 49 | 58.6 Ų | 58.6 | 30% | 0.297 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 129 | -179.6 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | K296 L300 L311 | K296-V298 HydrophobicContact CD-CG2 4.28Å; K296-V298 HydrophobicContact CG-CG2 4.09Å; V298-L300 HydrophobicContact CG1-CD2 4.25Å; V298-L300 PolarHBondContact O-N 3.31Å; V298-L311 HydrophobicContact CB-CB 4.46Å; V298-L311 PolarHBondContact N-O 2.86Å; V298-L311 PolarHBondContact O-N 3.13Å |
| 299 | Q | 92.2 | Very high | 87.8 | Confident | 85 Ų | 85 | 55.5 Ų | 55.5 | 40% | 0.397 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 116.5 | 168.3 | -169.6 | 179.5 | -51.6 | 0 | 0 | 110.1 | S301 T308 L310 L518 | Q299-S301 WeakPolarHBondContact CG-O 3.29Å; Q299-S301 PolarHBondContact NE2-O 2.71Å; Q299-T308 HydrophobicContact CG-CG2 4.15Å; Q299-L310 HydrophobicContact CB-CD2 3.8Å; Q299-L310 HydrophobicContact CG-CD2 4.03Å; Q299-L518 HydrophobicContact CB-CD2 4.32Å |
| 300 | L | 90.6 | Very high | 88.3 | Confident | 34 Ų | 34 | 52.5 Ų | 52.5 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | trans | -86.3 | -26.9 | -179.7 | -65.4 | -175.5 | 0 | 0 | 0 | 112.6 | V298 A309 L311 V486 L599 F600 | V298-L300 HydrophobicContact CG1-CD2 4.25Å; V298-L300 PolarHBondContact O-N 3.31Å; L300-A309 HydrophobicContact CB-CB 4.46Å; L300-A309 PolarHBondContact N-O 3.16Å; L300-L311 HydrophobicContact CD1-CB 3.92Å; L300-L311 HydrophobicContact CD2-CB 4.25Å; L300-L311 HydrophobicContact CD2-CD2 4.39Å; L300-L311 HydrophobicContact CG-CB 3.91Å; L300-V486 HydrophobicContact CD1-CG2 3.83Å; L300-L599 HydrophobicContact CB-CD2 3.74Å; L300-L599 HydrophobicContact CD1-CB 4.36Å; L300-L599 HydrophobicContact CD1-CD2 4.37Å; L300-F600 HydrophobicContact CD1-CD2 4.1Å; L300-F600 HydrophobicContact CD1-CE1 4.14Å; L300-F600 HydrophobicContact CD1-CE2 3.68Å; L300-F600 HydrophobicContact CD1-CG 4.49Å; L300-F600 HydrophobicContact CD1-CZ 3.71Å | ||
| 301 | S | 88.1 | Confident | 88.5 | Confident | 4 Ų | 4 | 50.6 Ų | 50.6 | 3% | 0.028 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -82.5 | 140.6 | 175.3 | 55.9 | 0 | 0 | 0 | 0 | 111.7 | Q299 T308 A309 K596 | Q299-S301 WeakPolarHBondContact CG-O 3.29Å; Q299-S301 PolarHBondContact NE2-O 2.71Å; S301-T308 WeakPolarHBondContact OG-CA 3.46Å; S301-A309 PolarHBondContact OG-N 2.85Å; S301-K596 CarbonylContact C-O 3.59Å; S301-K596 VanDerWaalsContact CA-O 3.25Å; S301-K596 WeakPolarHBondContact CA-O 3.38Å |
| 302 | K | 85.1 | Confident | 88.7 | Confident | 139 Ų | 139 | 46.5 Ų | 46.5 | 60% | 0.604 | 26% | 0.262 | S | S | * | . | trans | -107.7 | 152.8 | -179.5 | -61.5 | -177.5 | -179.2 | -179.9 | 0 | 112.5 | S305 K596 | K302-S305 WeakPolarHBondContact O-CB 3.24Å; K302-S305 PolarHBondContact O-N 3.25Å; K302-K596 PolarHBondContact N-O 3.39Å | ||
| 303 | G | 74.4 | Confident | 88.8 | Confident | 73 Ų | 73 | 47.9 Ų | 47.9 | 75% | 0.753 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | -140.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S305 | G303-S305 PolarHBondContact O-N 2.77Å; G303-S305 VanDerWaalsContact O-N 3.13Å |
| 304 | D | 72.9 | Confident | 88.9 | Confident | 120 Ų | 120 | 46.4 Ų | 46.4 | 64% | 0.642 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | 32.1 | 176 | 65.5 | -34.6 | 0 | 0 | 0 | 112.9 | V306 K596 | D304-V306 PolarHBondContact O-N 3.02Å; D304-K596 WeakPolarHBondContact OD1-CE 3.41Å; D304-K596 IonicContact OD1-NZ 2.68Å; D304-K596 PolarHBondContact OD1-NZ 3.48Å; D304-K596 IonicContact OD2-NZ 2.88Å; D304-K596 PolarHBondContact OD2-NZ 3.41Å |
| 305 | S | 75.8 | Confident | 88.9 | Confident | 17 Ų | 17 | 47.8 Ų | 47.8 | 12% | 0.119 | 27% | 0.267 | C | S | . | . | trans | -55 | 130.1 | 175 | 179 | 0 | 0 | 0 | 0 | 110.1 | K302 G303 K307 | K302-S305 WeakPolarHBondContact O-CB 3.24Å; K302-S305 PolarHBondContact O-N 3.25Å; G303-S305 PolarHBondContact O-N 2.77Å; G303-S305 VanDerWaalsContact O-N 3.13Å; S305-K307 PolarHBondContact O-N 2.95Å; S305-K307 PolarHBondContact OG-N 2.76Å; S305-K307 PolarHBondContact OG-O 3.04Å | ||
| 306 | V | 78.3 | Confident | 89 | Confident | 88 Ų | 88 | 46.3 Ų | 46.3 | 53% | 0.533 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -63.2 | -25.1 | 179.8 | -177.5 | 0 | 0 | 0 | 0 | 112.2 | D304 | D304-V306 PolarHBondContact O-N 3.02Š|
| 307 | K | 85.4 | Confident | 89.1 | Confident | 99 Ų | 99 | 43 Ų | 43 | 43% | 0.43 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -122.8 | 124.9 | 174.9 | -68.3 | -171.3 | 175 | -171.5 | 0 | 108.9 | S305 | S305-K307 PolarHBondContact O-N 2.95Å; S305-K307 PolarHBondContact OG-N 2.76Å; S305-K307 PolarHBondContact OG-O 3.04Å |
| 308 | T | 90.6 | Very high | 89 | Confident | 35 Ų | 35 | 45.1 Ų | 45.1 | 22% | 0.215 | 27% | 0.265 | C | S | . | . | trans | -80.7 | 116.9 | 172 | -54.4 | 0 | 0 | 0 | 0 | 109.3 | Q299 S301 N488 V489 F511 | Q299-T308 HydrophobicContact CG-CG2 4.15Å; S301-T308 WeakPolarHBondContact OG-CA 3.46Å; T308-N488 CarbonylContact O-C 3.54Å; T308-N488 WeakPolarHBondContact O-CA 3.25Å; T308-V489 HydrophobicContact CG2-CG2 4.24Å; T308-V489 PolarHBondContact O-N 2.98Å; T308-F511 HydrophobicContact CG2-CE2 4.11Å | ||
| 309 | A | 94 | Very high | 89 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 123.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L300 S301 F487 N488 L599 | L300-A309 HydrophobicContact CB-CB 4.46Å; L300-A309 PolarHBondContact N-O 3.16Å; S301-A309 PolarHBondContact OG-N 2.85Å; A309-F487 WeakPolarHBondContact CA-O 3.44Å; A309-N488 WeakPolarHBondContact CB-OD1 3.49Å; A309-L599 HydrophobicContact CB-CD1 4.45Å; A309-L599 HydrophobicContact CB-CD2 3.58Å |
| 310 | L | 94.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 138.5 | 177.3 | -67.1 | -178.3 | 0 | 0 | 0 | 110.4 | Q299 V486 F487 F511 V514 L518 | Q299-L310 HydrophobicContact CB-CD2 3.8Å; Q299-L310 HydrophobicContact CG-CD2 4.03Å; L310-V486 VanDerWaalsContact O-CA 3.27Å; L310-V486 WeakPolarHBondContact O-CA 2.93Å; L310-V486 WeakPolarHBondContact O-CG2 3.04Å; L310-F487 HydrophobicContact CB-CE1 4.13Å; L310-F487 HydrophobicContact CB-CE2 4.23Å; L310-F487 HydrophobicContact CB-CZ 3.88Å; L310-F487 HydrophobicContact CD1-CE2 4.15Å; L310-F487 HydrophobicContact CD1-CZ 3.87Å; L310-F487 HydrophobicContact CG-CZ 4.44Å; L310-F487 PolarHBondContact N-O 3.24Å; L310-F487 PolarHBondContact O-N 2.93Å; L310-F511 HydrophobicContact CD1-CB 4.1Å; L310-F511 HydrophobicContact CD1-CD2 3.6Å; L310-F511 HydrophobicContact CD1-CE2 4.49Å; L310-F511 HydrophobicContact CD1-CG 4.25Å; L310-F511 HydrophobicContact CG-CD2 4.38Å; L310-V514 HydrophobicContact CD1-CG2 3.97Å; L310-L518 HydrophobicContact CD2-CD1 4.04Å; L310-L518 HydrophobicContact CD2-CD2 4.33Å |
| 311 | L | 96 | Very high | 88.3 | Confident | 11 Ų | 11 | 49.1 Ų | 49.1 | 6% | 0.058 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 124.2 | 166 | 168.8 | 72.4 | 0 | 0 | 0 | 108.1 | A297 V298 L300 R484 F485 F600 | A297-L311 CarbonylContact C-O 3.55Å; A297-L311 WeakPolarHBondContact CA-O 3.33Å; V298-L311 HydrophobicContact CB-CB 4.46Å; V298-L311 PolarHBondContact N-O 2.86Å; V298-L311 PolarHBondContact O-N 3.13Å; L300-L311 HydrophobicContact CD1-CB 3.92Å; L300-L311 HydrophobicContact CD2-CB 4.25Å; L300-L311 HydrophobicContact CD2-CD2 4.39Å; L300-L311 HydrophobicContact CG-CB 3.91Å; L311-R484 HydrophobicContact CD1-CB 4.14Å; L311-F485 WeakPolarHBondContact CA-O 3.29Å; L311-F600 HydrophobicContact CD1-CE1 4.18Å; L311-F600 HydrophobicContact CD1-CZ 4.01Å; L311-F600 HydrophobicContact CD2-CE1 4.23Å |
| 312 | L | 96.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 147.4 | 171 | -59.8 | -172 | 0 | 0 | 0 | 110.4 | I294 K296 A297 R484 F485 F487 L510 V514 | I294-L312 HydrophobicContact CD1-CD1 4.29Å; I294-L312 HydrophobicContact CG2-CD2 4.38Å; K296-L312 CarbonylContact O-C 2.85Å; K296-L312 WeakPolarHBondContact O-CA 3.5Å; A297-L312 HydrophobicContact CB-CD2 3.41Å; A297-L312 VanDerWaalsContact CB-CD2 3.41Å; L312-R484 CarbonylContact O-C 3.53Å; L312-R484 VanDerWaalsContact O-CA 3.23Å; L312-R484 WeakPolarHBondContact O-CA 3.3Å; L312-F485 HydrophobicContact CB-CD1 4.02Å; L312-F485 HydrophobicContact CB-CE1 3.56Å; L312-F485 HydrophobicContact CB-CZ 3.98Å; L312-F485 HydrophobicContact CD1-CE1 4.16Å; L312-F485 HydrophobicContact CD1-CZ 3.76Å; L312-F485 HydrophobicContact CG-CE1 4.35Å; L312-F485 HydrophobicContact CG-CZ 4.28Å; L312-F485 PolarHBondContact N-O 2.84Å; L312-F485 PolarHBondContact O-N 3Å; L312-F487 HydrophobicContact CD1-CE1 3.72Å; L312-F487 HydrophobicContact CD1-CZ 4.24Å; L312-F487 HydrophobicContact CG-CE1 3.84Å; L312-L510 HydrophobicContact CD1-CB 4.32Å; L312-L510 HydrophobicContact CD1-CD1 4.5Å; L312-L510 HydrophobicContact CD1-CD2 4.05Å; L312-V514 HydrophobicContact CD1-CG1 4.46Å; L312-V514 HydrophobicContact CD2-CB 4.47Å; L312-V514 HydrophobicContact CD2-CG1 3.84Å; L312-V514 HydrophobicContact CD2-CG2 4.24Å |
| 313 | E | 96 | Very high | 88.3 | Confident | 29 Ų | 29 | 47 Ų | 47 | 14% | 0.136 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 130.9 | 169.7 | -170.1 | -178.2 | 94.3 | 0 | 0 | 108.8 | I294 S295 K296 K482 L483 R484 | I294-E313 CarbonylContact C-O 3.57Å; I294-E313 WeakPolarHBondContact CA-O 3.46Å; S295-E313 PolarHBondContact N-O 3Å; S295-E313 VanDerWaalsContact OG-CG 3.28Å; S295-E313 WeakPolarHBondContact OG-CG 3.26Å; S295-E313 PolarHBondContact OG-O 3.29Å; S295-E313 PolarHBondContact OG-OE1 3.35Å; K296-E313 HydrophobicContact CB-CB 3.74Å; K296-E313 PolarHBondContact N-O 3.11Å; K296-E313 PolarHBondContact O-N 2.84Å; E313-K482 HydrophobicContact CG-CB 4.04Å; E313-K482 HydrophobicContact CG-CD 4.27Å; E313-K482 HydrophobicContact CG-CG 4.36Å; E313-L483 CarbonylContact C-O 3.52Å; E313-L483 WeakPolarHBondContact CA-O 3.17Å; E313-R484 HydrophobicContact CB-CG 3.91Å; E313-R484 HydrophobicContact CG-CG 3.67Å |
| 314 | L | 95.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 137.5 | 178 | -50.1 | 178.9 | 0 | 0 | 0 | 108.9 | V292 P293 I294 F330 K482 L483 F485 I531 V533 | V292-L314 HydrophobicContact CG2-CB 4.11Å; V292-L314 HydrophobicContact CG2-CD1 3.93Å; V292-L314 HydrophobicContact CG2-CD2 4.46Å; V292-L314 HydrophobicContact CG2-CG 4.39Å; P293-L314 WeakPolarHBondContact O-CA 3.37Å; I294-L314 HydrophobicContact CB-CD2 4.39Å; I294-L314 HydrophobicContact CG1-CD2 3.69Å; L314-F330 HydrophobicContact CD1-CE2 4.1Å; L314-F330 HydrophobicContact CD1-CZ 4.45Å; L314-K482 WeakPolarHBondContact O-CA 3.44Å; L314-L483 HydrophobicContact CB-CB 4.31Å; L314-L483 HydrophobicContact CD1-CD2 4.19Å; L314-L483 HydrophobicContact CD1-CG 4.47Å; L314-L483 PolarHBondContact N-O 3.35Å; L314-L483 PolarHBondContact O-N 2.77Å; L314-F485 HydrophobicContact CD1-CD1 4.47Å; L314-F485 HydrophobicContact CD1-CE1 3.97Å; L314-F485 HydrophobicContact CD2-CE1 4.14Å; L314-F485 HydrophobicContact CG-CE1 4.05Å; L314-I531 HydrophobicContact CD1-CD1 3.88Å; L314-I531 HydrophobicContact CD1-CG1 4.49Å; L314-I531 HydrophobicContact CD2-CD1 3.58Å; L314-I531 HydrophobicContact CD2-CG1 4.03Å; L314-I531 HydrophobicContact CG-CD1 4.39Å; L314-V533 HydrophobicContact CD1-CG1 3.96Å |
| 315 | D | 94.4 | Very high | 90.1 | Very high | 34 Ų | 34 | 43.3 Ų | 43.3 | 18% | 0.182 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 116.8 | 171.4 | -159.3 | -21.2 | 0 | 0 | 0 | 110.1 | P293 S317 K482 | P293-D315 WeakPolarHBondContact CD-O 3.03Å; P293-D315 HydrophobicContact CG-CB 3.84Å; P293-D315 PolarHBondContact O-N 3.45Å; D315-S317 VanDerWaalsContact OD1-CB 3.25Å; D315-S317 WeakPolarHBondContact OD1-CB 3.2Å; D315-S317 PolarHBondContact OD1-N 2.76Å; D315-S317 VanDerWaalsContact OD1-N 3.1Å; D315-S317 PolarHBondContact OD1-OG 2.92Å; D315-K482 IonicContact OD1-NZ 2.72Å; D315-K482 PolarHBondContact OD1-NZ 2.88Å; D315-K482 VanDerWaalsContact OD1-NZ 3.11Å; D315-K482 IonicContact OD2-NZ 3.82Å; D315-K482 PolarHBondContact OD2-NZ 2.99Å |
| 316 | I | 94.4 | Very high | 90.9 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | trans | -112.1 | 10.5 | 179.2 | 63.2 | 167.2 | 0 | 0 | 0 | 112.2 | V292 A318 F319 M322 Y324 L476 E481 L483 | V292-I316 HydrophobicContact CG1-CG2 4.04Å; I316-A318 PolarHBondContact O-N 3.17Å; I316-F319 CarbonylContact O-C 3.56Å; I316-F319 WeakPolarHBondContact O-CA 3.42Å; I316-F319 PolarHBondContact O-N 2.96Å; I316-M322 HydrophobicContact CB-SD 4.13Å; I316-M322 HydrophobicContact CG2-CE 4.15Å; I316-M322 HydrophobicContact CG2-SD 3.7Å; I316-Y324 HydrophobicContact CD1-CD1 4.27Å; I316-Y324 HydrophobicContact CD1-CE1 3.97Å; I316-L476 HydrophobicContact CD1-CD2 4.37Å; I316-E481 WeakPolarHBondContact CG1-O 3.47Å; I316-E481 PolarHBondContact N-O 3.05Å; I316-L483 HydrophobicContact CD1-CB 4.49Å; I316-L483 HydrophobicContact CG2-CB 4.18Å | ||
| 317 | S | 92.8 | Very high | 91.5 | Very high | 49 Ų | 49 | 38.4 Ų | 38.4 | 34% | 0.343 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -34.1 | 177.8 | 54.7 | 0 | 0 | 0 | 0 | 113.5 | D315 F319 E481 | D315-S317 VanDerWaalsContact OD1-CB 3.25Å; D315-S317 WeakPolarHBondContact OD1-CB 3.2Å; D315-S317 PolarHBondContact OD1-N 2.76Å; D315-S317 VanDerWaalsContact OD1-N 3.1Å; D315-S317 PolarHBondContact OD1-OG 2.92Å; S317-F319 PolarHBondContact O-N 3.49Å; S317-E481 WeakPolarHBondContact CB-OE2 3.43Å; S317-E481 PolarHBondContact N-O 2.77Å |
| 318 | A | 91.5 | Very high | 91.9 | Very high | 75 Ų | 75 | 34 Ų | 34 | 62% | 0.62 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -13.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | I316 | I316-A318 PolarHBondContact O-N 3.17Š|
| 319 | F | 90.5 | Very high | 92 | Very high | 53 Ų | 53 | 32.6 Ų | 32.6 | 23% | 0.232 | 20% | 0.198 | C | C | . | . | trans | -127.9 | 73.7 | -176.7 | -51.8 | -71.9 | 0 | 0 | 0 | 111.6 | Y290 E291 V292 I316 S317 S321 M322 | Y290-F319 HydrophobicContact CD1-CB 4.08Å; Y290-F319 AromaticContact CD1-CD1 3.42Å; Y290-F319 HydrophobicContact CD1-CD1 3.42Å; Y290-F319 VanDerWaalsContact CD1-CD1 3.42Å; Y290-F319 HydrophobicContact CD1-CD2 4.25Å; Y290-F319 AromaticContact CD1-CE1 3.83Å; Y290-F319 HydrophobicContact CD1-CE1 3.83Å; Y290-F319 AromaticContact CD1-CG 3.64Å; Y290-F319 HydrophobicContact CD1-CG 3.64Å; Y290-F319 HydrophobicContact CD1-CZ 4.41Å; Y290-F319 HydrophobicContact CE1-CB 4.37Å; Y290-F319 HydrophobicContact CE1-CD1 4.02Å; Y290-F319 HydrophobicContact CE1-CG 4.32Å; Y290-F319 HydrophobicContact CG-CD1 4.42Å; Y290-F319 HydrophobicContact CG-CG 4.33Å; E291-F319 VanDerWaalsContact O-CE2 3.23Å; E291-F319 WeakPolarHBondContact O-CE2 3.23Å; E291-F319 WeakPolarHBondContact O-CZ 3.47Å; V292-F319 HydrophobicContact CG1-CD2 3.75Å; V292-F319 HydrophobicContact CG1-CE2 3.62Å; I316-F319 CarbonylContact O-C 3.56Å; I316-F319 WeakPolarHBondContact O-CA 3.42Å; I316-F319 PolarHBondContact O-N 2.96Å; S317-F319 PolarHBondContact O-N 3.49Å; F319-S321 PolarHBondContact O-N 3.24Å; F319-M322 HydrophobicContact CB-CB 3.99Å; F319-M322 WeakPolarHBondContact O-CB 3.46Å; F319-M322 PolarHBondContact O-N 3.18Å | ||
| 320 | P | 83.9 | Confident | 91.9 | Very high | 113 Ų | 113 | 32.6 Ų | 32.6 | 73% | 0.734 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -19.8 | -179.7 | -23.8 | 34 | 0 | 0 | 0 | 114.5 | M322 | P320-M322 VanDerWaalsContact C-N 3.27Š|
| 321 | S | 83.6 | Confident | 91.9 | Very high | 86 Ų | 86 | 33.1 Ų | 33.1 | 60% | 0.601 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -12 | 174.3 | 55.6 | 0 | 0 | 0 | 0 | 113.7 | F319 T323 | F319-S321 PolarHBondContact O-N 3.24Å; S321-T323 VanDerWaalsContact C-N 3.27Å; S321-T323 PolarHBondContact O-N 2.71Å |
| 322 | M | 85.3 | Confident | 91.9 | Very high | 4 Ų | 4 | 32.6 Ų | 32.6 | 2% | 0.02 | 20% | 0.198 | C | C | . | . | trans | -81.7 | 70.7 | 178.5 | -166.7 | 175.5 | 170.8 | 0 | 0 | 110.3 | Y290 I316 F319 P320 L483 V533 L535 | Y290-M322 HydrophobicContact CD2-SD 4.15Å; Y290-M322 HydrophobicContact CG-SD 4.29Å; I316-M322 HydrophobicContact CB-SD 4.13Å; I316-M322 HydrophobicContact CG2-CE 4.15Å; I316-M322 HydrophobicContact CG2-SD 3.7Å; F319-M322 HydrophobicContact CB-CB 3.99Å; F319-M322 WeakPolarHBondContact O-CB 3.46Å; F319-M322 PolarHBondContact O-N 3.18Å; P320-M322 VanDerWaalsContact C-N 3.27Å; M322-L483 HydrophobicContact CE-CD2 3.76Å; M322-V533 HydrophobicContact CE-CG2 3.7Å; M322-V533 HydrophobicContact SD-CG2 4.35Å; M322-L535 HydrophobicContact CB-CD1 4.4Å; M322-L535 HydrophobicContact CE-CD2 3.49Å; M322-L535 VanDerWaalsContact CE-CD2 3.49Å; M322-L535 HydrophobicContact CE-CG 3.93Å; M322-L535 HydrophobicContact CG-CD1 3.6Å; M322-L535 HydrophobicContact CG-CD2 3.98Å; M322-L535 HydrophobicContact CG-CG 3.78Å | ||
| 323 | T | 87.9 | Confident | 91.9 | Very high | 96 Ų | 96 | 33.5 Ų | 33.5 | 59% | 0.589 | 20% | 0.202 | S | C | * | . | trans | -91.8 | 134 | 176 | 55.3 | 0 | 0 | 0 | 0 | 111.1 | S321 L535 | S321-T323 VanDerWaalsContact C-N 3.27Å; S321-T323 PolarHBondContact O-N 2.71Å; T323-L535 WeakPolarHBondContact O-CD1 3.09Å | ||
| 324 | Y | 92.1 | Very high | 91.8 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 2% | 0.02 | 20% | 0.196 | C | C | . | . | trans | -142.2 | 160.4 | 177.1 | 76.8 | -88.7 | 0 | 0 | 0 | 109.3 | I316 D328 A472 C474 L476 K482 L483 | I316-Y324 HydrophobicContact CD1-CD1 4.27Å; I316-Y324 HydrophobicContact CD1-CE1 3.97Å; Y324-D328 WeakPolarHBondContact CA-OD2 3.43Å; Y324-A472 HydrophobicContact CD2-CB 3.98Å; Y324-A472 HydrophobicContact CE2-CB 3.78Å; Y324-C474 PolarHBondContact OH-SG 3.18Å; Y324-L476 HydrophobicContact CD1-CD1 4.02Å; Y324-L476 HydrophobicContact CD1-CD2 4.09Å; Y324-L476 HydrophobicContact CD1-CG 4.03Å; Y324-L476 HydrophobicContact CE1-CD1 4.13Å; Y324-L476 HydrophobicContact CE1-CD2 3.37Å; Y324-L476 HydrophobicContact CE1-CG 3.65Å; Y324-L476 HydrophobicContact CE2-CG 4.43Å; Y324-L476 WeakPolarHBondContact O-CD1 3.25Å; Y324-K482 PolarHBondContact OH-O 3.16Å; Y324-L483 HydrophobicContact CD1-CD1 4.25Å; Y324-L483 HydrophobicContact CD2-CD1 4.35Å; Y324-L483 HydrophobicContact CE1-CB 4.09Å; Y324-L483 HydrophobicContact CE1-CD1 3.74Å; Y324-L483 HydrophobicContact CE1-CG 4.45Å; Y324-L483 HydrophobicContact CE2-CD1 3.9Å | ||
| 325 | H | 92.5 | Very high | 91.7 | Very high | 109 Ų | 109 | 33 Ų | 33 | 51% | 0.505 | 20% | 0.201 | S | C | . | . | trans | -121.7 | 164.7 | 174.2 | -39 | 66.2 | 0 | 0 | 0 | 110.3 | G327 D328 R542 | H325-G327 PolarHBondContact O-N 3.43Å; H325-D328 PolarHBondContact N-OD2 2.77Å; H325-D328 WeakPolarHBondContact O-CB 3.08Å; H325-D328 PolarHBondContact O-N 3.46Å; H325-R542 VanDerWaalsContact CB-CZ 3.49Å; H325-R542 VanDerWaalsContact CB-NH1 3.3Å; H325-R542 PolarHBondContact ND1-NH2 2.91Å; H325-R542 PolarHBondContact O-NH1 2.85Å | ||
| 326 | P | 93.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.019 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 135 | 173.5 | -26.5 | 34.3 | 0 | 0 | 0 | 112.3 | R542 G565 F566 Q569 | P326-R542 VanDerWaalsContact O-CD 3.27Å; P326-R542 WeakPolarHBondContact O-CD 3.43Å; P326-R542 PolarHBondContact O-NH1 2.85Å; P326-G565 WeakPolarHBondContact CG-O 3.35Å; P326-F566 HydrophobicContact CB-CD1 3.63Å; P326-F566 HydrophobicContact CB-CE1 4.05Å; P326-Q569 HydrophobicContact CG-CB 3.87Å; P326-Q569 HydrophobicContact CG-CG 4.21Å |
| 327 | G | 91.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90 | -7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | H325 N538 F541 | H325-G327 PolarHBondContact O-N 3.43Å; G327-N538 WeakPolarHBondContact O-CB 3.37Å; G327-F541 WeakPolarHBondContact CA-O 3.46Å |
| 328 | D | 92.8 | Very high | 91.9 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.032 | 21% | 0.211 | C | C | . | . | trans | -66.6 | 157.1 | 165 | -77.4 | -29.2 | 0 | 0 | 0 | 111.2 | Y324 H325 A472 P537 N538 R542 | Y324-D328 WeakPolarHBondContact CA-OD2 3.43Å; H325-D328 PolarHBondContact N-OD2 2.77Å; H325-D328 WeakPolarHBondContact O-CB 3.08Å; H325-D328 PolarHBondContact O-N 3.46Å; D328-A472 WeakPolarHBondContact O-CB 3.34Å; D328-A472 PolarHBondContact O-N 2.87Å; D328-P537 VanDerWaalsContact OD1-CA 3.31Å; D328-P537 WeakPolarHBondContact OD1-CA 3.49Å; D328-N538 PolarHBondContact OD1-N 3.13Å; D328-R542 VanDerWaalsContact CG-CZ 3.44Å; D328-R542 IonicContact OD1-CZ 2.85Å; D328-R542 IonicContact OD1-NH1 3.3Å; D328-R542 PolarHBondContact OD1-NH1 3.43Å; D328-R542 IonicContact OD1-NH2 2.71Å; D328-R542 PolarHBondContact OD1-NH2 3.38Å; D328-R542 IonicContact OD2-CZ 3.49Å; D328-R542 IonicContact OD2-NH1 3.12Å; D328-R542 PolarHBondContact OD2-NH1 3.41Å; D328-R542 VanDerWaalsContact OD2-NH1 3.11Å; D328-R542 IonicContact OD2-NH2 2.79Å; D328-R542 PolarHBondContact OD2-NH2 3.03Å | ||
| 329 | S | 92.6 | Very high | 92 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 4% | 0.035 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 170.1 | 166.5 | -63.7 | 0 | 0 | 0 | 0 | 110.1 | Y470 R536 | S329-Y470 CarbonylContact C-O 3.54Å; S329-Y470 WeakPolarHBondContact CA-O 3.46Å; S329-Y470 WeakPolarHBondContact CB-O 3.3Å; S329-R536 PolarHBondContact N-O 2.89Å; S329-R536 CarbonylContact O-C 3.35Å; S329-R536 WeakPolarHBondContact O-CA 3.35Å; S329-R536 WeakPolarHBondContact O-CB 3.2Å; S329-R536 PolarHBondContact O-N 3.15Å |
| 330 | F | 93.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 153.7 | 171.4 | 63.4 | -80.4 | 0 | 0 | 0 | 109.5 | L314 V332 P469 Y470 L483 F485 V533 S534 L535 | L314-F330 HydrophobicContact CD1-CE2 4.1Å; L314-F330 HydrophobicContact CD1-CZ 4.45Å; F330-V332 HydrophobicContact CD2-CG2 4.01Å; F330-V332 HydrophobicContact CE2-CG2 3.53Å; F330-P469 CarbonylContact O-C 3.5Å; F330-P469 VanDerWaalsContact O-CA 3.27Å; F330-P469 WeakPolarHBondContact O-CA 2.96Å; F330-Y470 WeakPolarHBondContact CD1-O 3.4Å; F330-Y470 PolarHBondContact N-O 3.5Å; F330-Y470 PolarHBondContact O-N 2.85Å; F330-L483 HydrophobicContact CD1-CD1 4.03Å; F330-L483 HydrophobicContact CD1-CD2 3.74Å; F330-L483 HydrophobicContact CD1-CG 4.24Å; F330-L483 HydrophobicContact CD2-CD2 4.08Å; F330-L483 HydrophobicContact CE1-CD1 3.91Å; F330-L483 HydrophobicContact CE1-CD2 3.86Å; F330-L483 HydrophobicContact CE1-CG 3.97Å; F330-L483 HydrophobicContact CE2-CD2 4.16Å; F330-L483 HydrophobicContact CG-CD2 3.85Å; F330-L483 HydrophobicContact CZ-CD2 4.05Å; F330-L483 HydrophobicContact CZ-CG 4.26Å; F330-F485 HydrophobicContact CE1-CB 3.84Å; F330-F485 HydrophobicContact CE1-CD1 4.37Å; F330-F485 HydrophobicContact CE1-CG 4.18Å; F330-F485 HydrophobicContact CE2-CD1 4.26Å; F330-F485 HydrophobicContact CE2-CE1 4.3Å; F330-F485 HydrophobicContact CE2-CG 4.47Å; F330-F485 HydrophobicContact CZ-CB 3.67Å; F330-F485 AromaticContact CZ-CD1 3.46Å; F330-F485 HydrophobicContact CZ-CD1 3.46Å; F330-F485 VanDerWaalsContact CZ-CD1 3.46Å; F330-F485 HydrophobicContact CZ-CD2 4.04Å; F330-F485 AromaticContact CZ-CE1 3.93Å; F330-F485 HydrophobicContact CZ-CE1 3.93Å; F330-F485 HydrophobicContact CZ-CE2 4.48Å; F330-F485 AromaticContact CZ-CG 3.48Å; F330-F485 HydrophobicContact CZ-CG 3.48Å; F330-F485 VanDerWaalsContact CZ-CG 3.48Å; F330-F485 HydrophobicContact CZ-CZ 4.41Å; F330-V533 HydrophobicContact CD2-CB 4.18Å; F330-V533 HydrophobicContact CD2-CG1 4.02Å; F330-V533 HydrophobicContact CE2-CG1 4.16Å; F330-S534 CarbonylContact C-O 3.56Å; F330-S534 WeakPolarHBondContact CA-O 2.87Å; F330-S534 WeakPolarHBondContact CB-O 3.28Å; F330-L535 HydrophobicContact CB-CD2 4.4Å |
| 331 | D | 94.3 | Very high | 92.8 | Very high | 12 Ų | 12 | 30.1 Ų | 30.1 | 6% | 0.064 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 129.8 | 178 | -83 | -37.3 | 0 | 0 | 0 | 109.5 | F333 P467 V533 S534 R536 | D331-F333 HydrophobicContact CB-CE2 4.35Å; D331-P467 HydrophobicContact CB-CB 3.7Å; D331-P467 HydrophobicContact CB-CG 4.1Å; D331-V533 CarbonylContact O-C 3.57Å; D331-V533 WeakPolarHBondContact O-CA 3.37Å; D331-S534 WeakPolarHBondContact CB-OG 3.21Å; D331-S534 PolarHBondContact N-O 2.99Å; D331-S534 PolarHBondContact O-N 2.92Å; D331-R536 VanDerWaalsContact CG-CD 3.49Å; D331-R536 WeakPolarHBondContact OD1-CD 3.4Å; D331-R536 IonicContact OD1-CZ 3.1Å; D331-R536 IonicContact OD1-NE 3.86Å; D331-R536 IonicContact OD1-NH1 3.49Å; D331-R536 PolarHBondContact OD1-NH1 2.89Å; D331-R536 VanDerWaalsContact OD2-CD 3.29Å; D331-R536 WeakPolarHBondContact OD2-CD 3.27Å; D331-R536 VanDerWaalsContact OD2-CG 3.29Å; D331-R536 WeakPolarHBondContact OD2-CG 3.37Å; D331-R536 IonicContact OD2-CZ 2.85Å; D331-R536 IonicContact OD2-NE 3.1Å; D331-R536 IonicContact OD2-NH1 3.07Å; D331-R536 PolarHBondContact OD2-NH1 3.13Å |
| 332 | V | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 124.1 | 166.7 | 176.6 | 0 | 0 | 0 | 0 | 108.7 | F330 P467 R468 Y470 F485 W509 L510 I531 V533 | F330-V332 HydrophobicContact CD2-CG2 4.01Å; F330-V332 HydrophobicContact CE2-CG2 3.53Å; V332-P467 WeakPolarHBondContact O-CA 3.29Å; V332-R468 PolarHBondContact N-O 3.41Å; V332-R468 PolarHBondContact O-N 3.21Å; V332-Y470 HydrophobicContact CB-CD2 4.14Å; V332-Y470 HydrophobicContact CB-CE2 3.9Å; V332-Y470 HydrophobicContact CG2-CD2 3.58Å; V332-Y470 HydrophobicContact CG2-CE2 3.75Å; V332-F485 HydrophobicContact CG2-CZ 4.37Å; V332-W509 HydrophobicContact CG1-CZ3 3.94Å; V332-L510 HydrophobicContact CG1-CD2 4.42Å; V332-I531 HydrophobicContact CG1-CD1 4.3Å; V332-I531 HydrophobicContact CG2-CD1 4.45Å; V332-V533 HydrophobicContact CG2-CG1 4.2Å |
| 333 | F | 94.5 | Very high | 93.9 | Very high | 18 Ų | 18 | 35 Ų | 35 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 119.8 | 174 | -60.5 | -100.4 | 0 | 0 | 0 | 108.7 | R289 D331 W389 P467 H532 S534 | R289-F333 HydrophobicContact CG-CD2 4.45Å; R289-F333 HydrophobicContact CG-CE1 4.48Å; R289-F333 HydrophobicContact CG-CE2 3.97Å; R289-F333 HydrophobicContact CG-CZ 3.99Å; D331-F333 HydrophobicContact CB-CE2 4.35Å; F333-W389 HydrophobicContact CB-CZ3 4.4Å; F333-P467 HydrophobicContact CD1-CB 3.95Å; F333-P467 HydrophobicContact CD1-CG 4.49Å; F333-P467 HydrophobicContact CD2-CB 4.48Å; F333-P467 HydrophobicContact CE1-CB 3.95Å; F333-P467 HydrophobicContact CE1-CG 4.07Å; F333-P467 HydrophobicContact CE2-CB 4.47Å; F333-P467 HydrophobicContact CG-CB 4.21Å; F333-P467 HydrophobicContact CZ-CB 4.21Å; F333-P467 HydrophobicContact CZ-CG 4.37Å; F333-H532 HydrophobicContact CB-CB 4Å; F333-H532 HydrophobicContact CD2-CB 4.21Å; F333-H532 HydrophobicContact CG-CB 4.43Å; F333-H532 PolarHBondContact N-O 3.4Å; F333-S534 WeakPolarHBondContact CE2-OG 3.38Å |
| 334 | C | 94.1 | Very high | 94.2 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.02 | 16% | 0.159 | C | C | . | . | trans | -116.6 | 130.5 | -177.7 | 176.9 | 0 | 0 | 0 | 0 | 109.2 | L465 C506 W509 | C334-L465 WeakPolarHBondContact O-CD2 3.36Å; C334-C506 HydrophobicContact CB-CB 3.87Å; C334-C506 VanDerWaalsContact SG-CA 3.52Å; C334-W509 HydrophobicContact CB-CD2 4.42Å; C334-W509 HydrophobicContact CB-CE3 3.79Å; C334-W509 HydrophobicContact CB-CZ3 4.15Å; C334-W509 WeakPolarHBondContact SG-CB 3.12Å; C334-W509 VanDerWaalsContact SG-CE3 3.52Å | ||
| 335 | P | 95.3 | Very high | 94.4 | Very high | 16 Ų | 16 | 30.2 Ų | 30.2 | 10% | 0.104 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -71.9 | 161.1 | 171.8 | 31.2 | -33.6 | 0 | 0 | 0 | 111.5 | T388 W389 W509 | P335-T388 CarbonylContact C-O 3.02Å; P335-T388 WeakPolarHBondContact CA-O 3.33Å; P335-T388 HydrophobicContact CB-CG2 3.53Å; P335-W389 HydrophobicContact CB-CD2 4.12Å; P335-W389 HydrophobicContact CB-CE3 4.21Å; P335-W389 HydrophobicContact CB-CH2 3.89Å; P335-W389 HydrophobicContact CB-CZ2 3.78Å; P335-W389 HydrophobicContact CB-CZ3 4.11Å; P335-W389 HydrophobicContact CG-CH2 3.95Å; P335-W389 HydrophobicContact CG-CZ2 4.08Å; P335-W389 HydrophobicContact CG-CZ3 4.43Å; P335-W509 HydrophobicContact CG-CD2 4.5Å; P335-W509 HydrophobicContact CG-CZ2 4.28Å |
| 336 | N | 96.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 151.8 | 160.1 | -70.8 | -45.9 | 0 | 0 | 0 | 110.5 | A338 V341 L387 T388 L391 I393 L505 | N336-A338 PolarHBondContact O-N 2.92Å; N336-V341 HydrophobicContact CB-CG2 3.73Å; N336-L387 PolarHBondContact ND2-O 2.64Å; N336-T388 PolarHBondContact N-O 2.67Å; N336-L391 PolarHBondContact ND2-O 2.87Å; N336-I393 HydrophobicContact CB-CD1 3.9Å; N336-I393 HydrophobicContact CB-CG1 4.32Å; N336-L505 VanDerWaalsContact OD1-CD2 3.3Å; N336-L505 WeakPolarHBondContact OD1-CD2 3.44Å |
| 337 | V | 94.6 | Very high | 94.7 | Very high | 37 Ų | 37 | 34.7 Ų | 34.7 | 22% | 0.224 | 18% | 0.176 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 131.1 | -179.7 | 174.2 | 0 | 0 | 0 | 0 | 109.6 | E339 E340 V341 L505 | V337-E339 VanDerWaalsContact C-N 3.3Å; V337-E339 HydrophobicContact CG1-CB 4.36Å; V337-E339 WeakPolarHBondContact CG1-OE2 3.18Å; V337-E339 PolarHBondContact O-N 3.44Å; V337-E340 HydrophobicContact CB-CB 4.3Å; V337-E340 HydrophobicContact CB-CG 4.1Å; V337-E340 HydrophobicContact CG1-CG 4.31Å; V337-E340 PolarHBondContact O-N 2.95Å; V337-V341 PolarHBondContact O-N 3.32Å; V337-L505 HydrophobicContact CG2-CD1 3.85Å |
| 338 | A | 94.1 | Very high | 94.8 | Very high | 61 Ų | 61 | 35.7 Ų | 35.7 | 50% | 0.504 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -57.1 | -43.7 | -174 | 0 | 0 | 0 | 0 | 0 | 111.9 | N336 E340 V341 D342 | N336-A338 PolarHBondContact O-N 2.92Å; A338-E340 VanDerWaalsContact C-N 3.29Å; A338-E340 PolarHBondContact O-N 3.22Å; A338-V341 PolarHBondContact O-N 2.88Å; A338-D342 PolarHBondContact O-N 2.63Å |
| 339 | E | 94.2 | Very high | 95 | Very high | 121 Ų | 121 | 38.5 Ų | 38.5 | 57% | 0.565 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -61.9 | -36.3 | 177.8 | -61.8 | 81.7 | -179.7 | 0 | 0 | 112 | V337 H343 | V337-E339 VanDerWaalsContact C-N 3.3Å; V337-E339 HydrophobicContact CG1-CB 4.36Å; V337-E339 WeakPolarHBondContact CG1-OE2 3.18Å; V337-E339 PolarHBondContact O-N 3.44Å; E339-H343 WeakPolarHBondContact O-CB 3.45Å; E339-H343 PolarHBondContact O-N 3.01Å; E339-H343 PolarHBondContact O-ND1 3.27Å |
| 340 | E | 94.7 | Very high | 95.1 | Very high | 45 Ų | 45 | 39.5 Ų | 39.5 | 21% | 0.21 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.6 | -36.5 | 177.7 | -67.6 | -177.3 | 178.2 | 0 | 0 | 112.3 | V337 A338 L344 I393 R394 | V337-E340 HydrophobicContact CB-CB 4.3Å; V337-E340 HydrophobicContact CB-CG 4.1Å; V337-E340 HydrophobicContact CG1-CG 4.31Å; V337-E340 PolarHBondContact O-N 2.95Å; A338-E340 VanDerWaalsContact C-N 3.29Å; A338-E340 PolarHBondContact O-N 3.22Å; E340-L344 WeakPolarHBondContact O-CB 3.27Å; E340-L344 PolarHBondContact O-N 3.02Å; E340-I393 HydrophobicContact CB-CD1 4.23Å; E340-R394 IonicContact OE1-CZ 2.88Å; E340-R394 VanDerWaalsContact OE1-CZ 3.29Å; E340-R394 IonicContact OE1-NE 2.67Å; E340-R394 PolarHBondContact OE1-NE 2.86Å; E340-R394 IonicContact OE1-NH2 2.77Å; E340-R394 PolarHBondContact OE1-NH2 2.92Å; E340-R394 IonicContact OE2-CZ 2.64Å; E340-R394 IonicContact OE2-NE 2.84Å; E340-R394 PolarHBondContact OE2-NE 3.43Å; E340-R394 IonicContact OE2-NH2 3.9Å; E340-R394 PolarHBondContact OE2-NH2 3.5Å |
| 341 | V | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.3 | -46.2 | 174.3 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | N336 V337 A338 H343 L344 L345 L384 L387 I393 | N336-V341 HydrophobicContact CB-CG2 3.73Å; V337-V341 PolarHBondContact O-N 3.32Å; A338-V341 PolarHBondContact O-N 2.88Å; V341-H343 PolarHBondContact O-N 2.65Å; V341-L344 PolarHBondContact O-N 2.89Å; V341-L345 HydrophobicContact CG1-CD1 3.99Å; V341-L345 HydrophobicContact CG1-CG 4.4Å; V341-L345 WeakPolarHBondContact O-CB 3.45Å; V341-L345 WeakPolarHBondContact O-CG 3.4Å; V341-L345 PolarHBondContact O-N 3.01Å; V341-L384 HydrophobicContact CG1-CD1 3.87Å; V341-L387 HydrophobicContact CG1-CB 3.72Å; V341-L387 HydrophobicContact CG1-CD1 4.27Å; V341-L387 HydrophobicContact CG2-CB 4.42Å; V341-I393 HydrophobicContact CG2-CD1 4.23Å |
| 342 | D | 95.9 | Very high | 95.2 | Very high | 59 Ų | 59 | 49 Ų | 49 | 32% | 0.316 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 175.9 | -83.9 | -36.2 | 0 | 0 | 0 | 111.8 | A338 L344 L345 H346 Q351 | A338-D342 PolarHBondContact O-N 2.63Å; D342-L344 VanDerWaalsContact C-N 3.33Å; D342-L344 PolarHBondContact O-N 3.25Å; D342-L345 PolarHBondContact O-N 3.17Å; D342-H346 WeakPolarHBondContact O-CB 3.45Å; D342-H346 PolarHBondContact O-N 3.3Å; D342-Q351 PolarHBondContact OD1-NE2 3.37Å |
| 343 | H | 94.6 | Very high | 95.1 | Very high | 133 Ų | 133 | 52.5 Ų | 52.5 | 62% | 0.616 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61 | -41.7 | 174.8 | -73.4 | 130 | 0 | 0 | 0 | 112.3 | E339 V341 R347 | E339-H343 WeakPolarHBondContact O-CB 3.45Å; E339-H343 PolarHBondContact O-N 3.01Å; E339-H343 PolarHBondContact O-ND1 3.27Å; V341-H343 PolarHBondContact O-N 2.65Å; H343-R347 VanDerWaalsContact O-CB 3.31Å; H343-R347 WeakPolarHBondContact O-CB 3.42Å; H343-R347 PolarHBondContact O-N 3.47Å |
| 344 | L | 95.8 | Very high | 95 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.9 | -44 | 178 | -177.7 | 59.5 | 0 | 0 | 0 | 111.4 | E340 V341 D342 H346 R347 L348 L387 I393 V441 L445 L458 | E340-L344 WeakPolarHBondContact O-CB 3.27Å; E340-L344 PolarHBondContact O-N 3.02Å; V341-L344 PolarHBondContact O-N 2.89Å; D342-L344 VanDerWaalsContact C-N 3.33Å; D342-L344 PolarHBondContact O-N 3.25Å; L344-H346 PolarHBondContact O-N 3.26Å; L344-R347 PolarHBondContact O-N 3.28Å; L344-L348 HydrophobicContact CD1-CD1 4.08Å; L344-L348 HydrophobicContact CD1-CG 4.22Å; L344-L348 HydrophobicContact CG-CD1 4Å; L344-L348 VanDerWaalsContact O-CG 3.26Å; L344-L348 WeakPolarHBondContact O-CG 3.07Å; L344-L348 PolarHBondContact O-N 2.75Å; L344-L387 HydrophobicContact CD2-CD2 4.2Å; L344-I393 HydrophobicContact CD2-CB 4.36Å; L344-I393 HydrophobicContact CD2-CG2 3.91Å; L344-V441 HydrophobicContact CD1-CG1 4.25Å; L344-V441 HydrophobicContact CD2-CG1 4.24Å; L344-L445 HydrophobicContact CD1-CD1 4.03Å; L344-L458 HydrophobicContact CD1-CD2 4.44Å; L344-L458 HydrophobicContact CD2-CD2 4.31Å |
| 345 | L | 96.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.7 | -46.1 | 175.5 | -76.9 | 168.9 | 0 | 0 | 0 | 111.8 | V341 D342 R347 L348 G349 L350 K354 L383 L384 L387 | V341-L345 HydrophobicContact CG1-CD1 3.99Å; V341-L345 HydrophobicContact CG1-CG 4.4Å; V341-L345 WeakPolarHBondContact O-CB 3.45Å; V341-L345 WeakPolarHBondContact O-CG 3.4Å; V341-L345 PolarHBondContact O-N 3.01Å; D342-L345 PolarHBondContact O-N 3.17Å; L345-R347 VanDerWaalsContact C-N 3.34Å; L345-R347 PolarHBondContact O-N 3.06Å; L345-L348 PolarHBondContact O-N 2.84Å; L345-G349 PolarHBondContact O-N 3Å; L345-G349 VanDerWaalsContact O-N 3.08Å; L345-L350 HydrophobicContact CD2-CB 4.11Å; L345-L350 PolarHBondContact O-N 3.18Å; L345-K354 HydrophobicContact CD1-CB 3.83Å; L345-L383 HydrophobicContact CD2-CD2 3.58Å; L345-L383 HydrophobicContact CD2-CG 3.82Å; L345-L384 HydrophobicContact CD1-CD1 4.48Å; L345-L387 HydrophobicContact CD2-CD1 3.57Å; L345-L387 HydrophobicContact CG-CD1 3.79Å |
| 346 | H | 96 | Very high | 94.9 | Very high | 143 Ų | 143 | 59.9 Ų | 59.9 | 66% | 0.662 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.5 | -43 | 175 | -172.2 | -72.2 | 0 | 0 | 0 | 111.4 | D342 L344 L348 G349 | D342-H346 WeakPolarHBondContact O-CB 3.45Å; D342-H346 PolarHBondContact O-N 3.3Å; L344-H346 PolarHBondContact O-N 3.26Å; H346-L348 VanDerWaalsContact C-N 3.25Å; H346-L348 PolarHBondContact O-N 3.33Å; H346-G349 PolarHBondContact O-N 3.13Å; H346-G349 VanDerWaalsContact O-N 3.1Å |
| 347 | R | 95.1 | Very high | 94.7 | Very high | 64 Ų | 64 | 62 Ų | 62 | 24% | 0.242 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.6 | -28.8 | 179.4 | -177.5 | 58.9 | -178.1 | 84.1 | 1.3 | 113.5 | H343 L344 L345 L445 F448 P449 C451 | H343-R347 VanDerWaalsContact O-CB 3.31Å; H343-R347 WeakPolarHBondContact O-CB 3.42Å; H343-R347 PolarHBondContact O-N 3.47Å; L344-R347 PolarHBondContact O-N 3.28Å; L345-R347 VanDerWaalsContact C-N 3.34Å; L345-R347 PolarHBondContact O-N 3.06Å; R347-L445 HydrophobicContact CG-CB 3.93Å; R347-L445 HydrophobicContact CG-CD1 4.22Å; R347-L445 PolarHBondContact NE-O 3.44Å; R347-L445 PolarHBondContact NH2-O 3.05Å; R347-F448 PolarHBondContact NH2-O 3.29Å; R347-P449 PolarHBondContact NH2-O 3.34Å; R347-C451 VanDerWaalsContact CZ-O 3.25Å; R347-C451 PolarHBondContact NH1-O 3.37Å; R347-C451 PolarHBondContact NH2-O 2.82Å |
| 348 | L | 94.6 | Very high | 94.6 | Very high | 21 Ų | 21 | 60.5 Ų | 60.5 | 11% | 0.11 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -89.1 | -7.1 | 176 | -63.4 | 172.4 | 0 | 0 | 0 | 113.2 | L344 L345 H346 L350 L445 P453 L458 | L344-L348 HydrophobicContact CD1-CD1 4.08Å; L344-L348 HydrophobicContact CD1-CG 4.22Å; L344-L348 HydrophobicContact CG-CD1 4Å; L344-L348 VanDerWaalsContact O-CG 3.26Å; L344-L348 WeakPolarHBondContact O-CG 3.07Å; L344-L348 PolarHBondContact O-N 2.75Å; L345-L348 PolarHBondContact O-N 2.84Å; H346-L348 VanDerWaalsContact C-N 3.25Å; H346-L348 PolarHBondContact O-N 3.33Å; L348-L350 VanDerWaalsContact C-N 3.34Å; L348-L350 HydrophobicContact CB-CD1 3.95Å; L348-L350 HydrophobicContact CB-CG 4.04Å; L348-L350 HydrophobicContact CD1-CD1 4.35Å; L348-L445 HydrophobicContact CD2-CD1 4.37Å; L348-P453 HydrophobicContact CD2-CG 4.19Å; L348-L458 HydrophobicContact CD1-CD2 3.76Å; L348-L458 HydrophobicContact CD2-CD1 4.46Å; L348-L458 HydrophobicContact CD2-CD2 4.47Å |
| 349 | G | 95.1 | Very high | 94.5 | Very high | 65 Ų | 65 | 60.3 Ų | 60.3 | 67% | 0.67 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.3 | 27.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L345 H346 | L345-G349 PolarHBondContact O-N 3Å; L345-G349 VanDerWaalsContact O-N 3.08Å; H346-G349 PolarHBondContact O-N 3.13Å; H346-G349 VanDerWaalsContact O-N 3.1Å |
| 350 | L | 95.6 | Very high | 94.4 | Very high | 26 Ų | 26 | 56.1 Ų | 56.1 | 14% | 0.136 | 29% | 0.285 | C | S | . | . | trans | -113.6 | 12.8 | -174.2 | -61.9 | 175.5 | 0 | 0 | 0 | 113.6 | L271 L345 L348 D352 Q353 K354 L383 L455 | L271-L350 HydrophobicContact CD1-CD2 4.04Å; L345-L350 HydrophobicContact CD2-CB 4.11Å; L345-L350 PolarHBondContact O-N 3.18Å; L348-L350 VanDerWaalsContact C-N 3.34Å; L348-L350 HydrophobicContact CB-CD1 3.95Å; L348-L350 HydrophobicContact CB-CG 4.04Å; L348-L350 HydrophobicContact CD1-CD1 4.35Å; L350-D352 PolarHBondContact O-N 2.91Å; L350-Q353 CarbonylContact O-C 3.07Å; L350-Q353 WeakPolarHBondContact O-CA 3.49Å; L350-Q353 PolarHBondContact O-N 3.04Å; L350-K354 PolarHBondContact O-N 3.13Å; L350-L383 HydrophobicContact CB-CD2 3.87Å; L350-L383 HydrophobicContact CD1-CD2 4.16Å; L350-L455 HydrophobicContact CD1-CB 4.11Å; L350-L455 HydrophobicContact CD1-CD2 4.45Å | ||
| 351 | Q | 94.6 | Very high | 94.3 | Very high | 54 Ų | 54 | 57 Ų | 57 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -60.8 | -41.8 | -174.1 | -170.6 | 63.4 | 6.1 | 0 | 0 | 112.9 | D342 Q353 K354 | D342-Q351 PolarHBondContact OD1-NE2 3.37Å; Q351-Q353 PolarHBondContact O-N 3.39Å; Q351-K354 WeakPolarHBondContact O-CB 3.27Å; Q351-K354 WeakPolarHBondContact O-CG 3.41Å; Q351-K354 PolarHBondContact O-N 3.07Å |
| 352 | D | 94.4 | Very high | 94.1 | Very high | 157 Ų | 157 | 60.5 Ų | 60.5 | 84% | 0.84 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -68.4 | -19.1 | 178.3 | -59.4 | -35 | 0 | 0 | 0 | 112.2 | L350 | L350-D352 PolarHBondContact O-N 2.91Š|
| 353 | Q | 93.8 | Very high | 93.9 | Very high | 75 Ų | 75 | 61.8 Ų | 61.8 | 35% | 0.35 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -100.4 | 7.8 | -178.1 | -62.9 | 177.1 | -6.2 | 0 | 0 | 113.4 | L271 L350 Q351 N355 H356 | L271-Q353 HydrophobicContact CD1-CB 4.08Å; L350-Q353 CarbonylContact O-C 3.07Å; L350-Q353 WeakPolarHBondContact O-CA 3.49Å; L350-Q353 PolarHBondContact O-N 3.04Å; Q351-Q353 PolarHBondContact O-N 3.39Å; Q353-N355 PolarHBondContact O-N 3.1Å; Q353-N355 VanDerWaalsContact O-N 3.07Å; Q353-H356 VanDerWaalsContact CA-ND1 3.34Å; Q353-H356 WeakPolarHBondContact CA-ND1 3.36Å; Q353-H356 HydrophobicContact CB-CB 4.43Å; Q353-H356 VanDerWaalsContact O-CB 3.28Å; Q353-H356 WeakPolarHBondContact O-CB 3.34Å; Q353-H356 PolarHBondContact O-N 3.22Å; Q353-H356 PolarHBondContact O-ND1 3.1Å |
| 354 | K | 93 | Very high | 93.2 | Very high | 70 Ų | 70 | 62.8 Ų | 62.8 | 30% | 0.304 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -31.1 | -175 | 70.8 | -178.1 | -175.3 | 176 | 0 | 114.6 | L345 L350 Q351 L383 L384 | L345-K354 HydrophobicContact CD1-CB 3.83Å; L350-K354 PolarHBondContact O-N 3.13Å; Q351-K354 WeakPolarHBondContact O-CB 3.27Å; Q351-K354 WeakPolarHBondContact O-CG 3.41Å; Q351-K354 PolarHBondContact O-N 3.07Å; K354-L383 PolarHBondContact O-N 3.31Å; K354-L384 HydrophobicContact CB-CB 4.5Å; K354-L384 WeakPolarHBondContact O-CB 3.35Å; K354-L384 PolarHBondContact O-N 3.3Å |
| 355 | N | 93.3 | Very high | 92.6 | Very high | 92 Ų | 92 | 69.9 Ų | 69.9 | 49% | 0.492 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -0 | 179.2 | -64.7 | -22.4 | 0 | 0 | 0 | 113.5 | Q353 | Q353-N355 PolarHBondContact O-N 3.1Å; Q353-N355 VanDerWaalsContact O-N 3.07Å |
| 356 | H | 93.4 | Very high | 92 | Very high | 30 Ų | 30 | 71.9 Ų | 71.9 | 14% | 0.139 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -72.5 | 148.1 | 177.5 | -69.1 | 48.8 | 0 | 0 | 0 | 110.2 | L271 Q272 E273 Q353 S382 L383 | L271-H356 HydrophobicContact CB-CB 3.97Å; L271-H356 HydrophobicContact CD2-CB 4.49Å; Q272-H356 CarbonylContact O-C 3.49Å; Q272-H356 VanDerWaalsContact O-CA 3.27Å; Q272-H356 WeakPolarHBondContact O-CA 3.49Å; Q272-H356 VanDerWaalsContact O-CB 3.29Å; Q272-H356 WeakPolarHBondContact O-CB 3.48Å; E273-H356 VanDerWaalsContact CG-NE2 3.27Å; E273-H356 WeakPolarHBondContact CG-NE2 3.14Å; Q353-H356 VanDerWaalsContact CA-ND1 3.34Å; Q353-H356 WeakPolarHBondContact CA-ND1 3.36Å; Q353-H356 HydrophobicContact CB-CB 4.43Å; Q353-H356 VanDerWaalsContact O-CB 3.28Å; Q353-H356 WeakPolarHBondContact O-CB 3.34Å; Q353-H356 PolarHBondContact O-N 3.22Å; Q353-H356 PolarHBondContact O-ND1 3.1Å; H356-S382 CarbonylContact O-C 3.59Å; H356-S382 WeakPolarHBondContact O-CA 3.37Å; H356-L383 PolarHBondContact O-N 2.93Å |
| 357 | R | 92.1 | Very high | 91.2 | Very high | 48 Ų | 48 | 73.6 Ų | 73.6 | 18% | 0.181 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 135 | 175.9 | -52.3 | -171.9 | 92.1 | 148.1 | 9 | 109.7 | L271 Q272 A274 E278 N380 V381 | L271-R357 WeakPolarHBondContact CA-O 3.41Å; Q272-R357 PolarHBondContact N-O 3.14Å; Q272-R357 PolarHBondContact O-N 3.16Å; A274-R357 HydrophobicContact CB-CG 3.98Å; E278-R357 IonicContact OE2-CZ 2.81Å; E278-R357 IonicContact OE2-NH1 3.11Å; E278-R357 PolarHBondContact OE2-NH1 3.06Å; R357-N380 PolarHBondContact NE-O 3.24Å; R357-N380 VanDerWaalsContact NE-O 3.12Å; R357-N380 PolarHBondContact NH2-O 2.83Å; R357-V381 WeakPolarHBondContact CA-O 3.35Å |
| 358 | V | 93 | Very high | 90.3 | Very high | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.03 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 112 | 176 | -167.9 | 0 | 0 | 0 | 0 | 108.5 | V269 L271 I360 V381 L383 L386 I459 | V269-V358 HydrophobicContact CG1-CG1 3.69Å; L271-V358 HydrophobicContact CD2-CB 4.4Å; L271-V358 HydrophobicContact CD2-CG1 4.48Å; L271-V358 HydrophobicContact CD2-CG2 3.87Å; V358-I360 HydrophobicContact CG1-CD1 4.15Å; V358-I360 HydrophobicContact CG1-CG1 3.77Å; V358-V381 PolarHBondContact N-O 3.07Å; V358-L383 HydrophobicContact CG2-CB 3.97Å; V358-L383 HydrophobicContact CG2-CD1 4.27Å; V358-L386 HydrophobicContact CG1-CD2 4.29Å; V358-L386 HydrophobicContact CG2-CB 4.46Å; V358-L386 HydrophobicContact CG2-CD2 4.13Å; V358-I459 HydrophobicContact CG1-CD1 4.21Å |
| 359 | Q | 92.7 | Very high | 88.8 | Confident | 58 Ų | 58 | 74.6 Ų | 74.6 | 27% | 0.271 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 120.6 | 170.2 | -67.6 | -60.8 | -29.8 | 0 | 0 | 108.8 | V269 T270 Q272 N380 | V269-Q359 WeakPolarHBondContact CA-O 3.36Å; T270-Q359 PolarHBondContact N-O 3.46Å; T270-Q359 PolarHBondContact O-N 3.34Å; T270-Q359 WeakPolarHBondContact OG1-CB 3.48Å; Q272-Q359 HydrophobicContact CG-CG 4.19Å; Q359-N380 PolarHBondContact NE2-OD1 3.44Å |
| 360 | I | 92.6 | Very high | 87.5 | Confident | 32 Ų | 32 | 74.7 Ų | 74.7 | 16% | 0.164 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 119.7 | -176.8 | -51.9 | 173.5 | 0 | 0 | 0 | 108.1 | L267 V269 V358 V373 I377 I459 | L267-I360 HydrophobicContact CB-CG2 4.42Å; L267-I360 HydrophobicContact CD1-CG2 4.04Å; L267-I360 HydrophobicContact CD2-CG2 3.84Å; L267-I360 HydrophobicContact CG-CG2 4.33Å; V269-I360 HydrophobicContact CG2-CG1 4.5Å; V269-I360 HydrophobicContact CG2-CG2 4.48Å; V358-I360 HydrophobicContact CG1-CD1 4.15Å; V358-I360 HydrophobicContact CG1-CG1 3.77Å; I360-V373 HydrophobicContact CB-CG1 4.15Å; I360-V373 HydrophobicContact CG2-CG1 3.85Å; I360-V373 HydrophobicContact CG2-CG2 4.2Å; I360-I377 HydrophobicContact CD1-CB 4.48Å; I360-I377 HydrophobicContact CD1-CD1 4.06Å; I360-I377 HydrophobicContact CD1-CG2 3.79Å; I360-I459 HydrophobicContact CD1-CD1 4.1Å; I360-I459 HydrophobicContact CD1-CG2 4.28Å; I360-I459 HydrophobicContact CG1-CD1 4.48Å |
| 361 | S | 92 | Very high | 86.6 | Confident | 63 Ų | 63 | 74.1 Ų | 74.1 | 44% | 0.441 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 158 | 174.3 | 56.2 | 0 | 0 | 0 | 0 | 110.7 | L267 D268 | L267-S361 WeakPolarHBondContact CA-O 3.33Å; D268-S361 PolarHBondContact N-O 3.24Å; D268-S361 PolarHBondContact O-N 2.8Å |
| 362 | L | 92.3 | Very high | 86 | Confident | 74 Ų | 74 | 77.2 Ų | 77.2 | 39% | 0.387 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 139.5 | 168.9 | -65.2 | 179.3 | 0 | 0 | 0 | 109.2 | Y266 L267 A371 V373 | Y266-L362 HydrophobicContact CD2-CD2 4.25Å; L267-L362 HydrophobicContact CD2-CD2 4.09Å; L362-A371 WeakPolarHBondContact CD1-O 3.45Å; L362-A371 HydrophobicContact CD2-CB 4.01Å; L362-V373 HydrophobicContact CD2-CG2 4.27Å; L362-V373 HydrophobicContact CG-CG2 4.35Å |
| 363 | K | 90.9 | Very high | 85.6 | Confident | 86 Ų | 86 | 72.6 Ų | 72.6 | 37% | 0.374 | 38% | 0.38 | S | S | . | . | trans | -73.1 | 126.8 | 174.7 | -174.1 | 167.9 | -168.2 | 164.5 | 0 | 110.5 | Y266 D268 N365 T366 | Y266-K363 PolarHBondContact O-N 2.85Å; D268-K363 WeakPolarHBondContact OD2-CA 3.2Å; D268-K363 WeakPolarHBondContact OD2-CG 3.27Å; K363-N365 PolarHBondContact O-N 2.96Å; K363-N365 VanDerWaalsContact O-N 3.07Å; K363-T366 WeakPolarHBondContact O-CB 3.25Å; K363-T366 WeakPolarHBondContact O-CG2 3.38Å; K363-T366 PolarHBondContact O-N 3.32Å | ||
| 364 | D | 81.1 | Confident | 85.2 | Confident | 155 Ų | 155 | 69.5 Ų | 69.5 | 83% | 0.829 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -33.7 | -173.5 | -68.4 | -30.4 | 0 | 0 | 0 | 114 | ||
| 365 | N | 82.2 | Confident | 84.5 | Confident | 150 Ų | 150 | 72.2 Ų | 72.2 | 80% | 0.802 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.3 | 31 | -178.3 | -65.7 | -52.7 | 0 | 0 | 0 | 112.8 | K363 K367 | K363-N365 PolarHBondContact O-N 2.96Å; K363-N365 VanDerWaalsContact O-N 3.07Å; N365-K367 PolarHBondContact O-N 3.05Å |
| 366 | T | 83.8 | Confident | 84 | Confident | 41 Ų | 41 | 70 Ų | 70 | 25% | 0.252 | 38% | 0.378 | S | S | . | . | trans | -62.1 | 136.6 | 178.2 | -176.7 | 0 | 0 | 0 | 0 | 111.9 | A265 Y266 K363 K368 A371 | A265-T366 PolarHBondContact O-OG1 3.21Å; Y266-T366 WeakPolarHBondContact CA-OG1 3.05Å; Y266-T366 WeakPolarHBondContact CB-OG1 3.4Å; K363-T366 WeakPolarHBondContact O-CB 3.25Å; K363-T366 WeakPolarHBondContact O-CG2 3.38Å; K363-T366 PolarHBondContact O-N 3.32Å; T366-K368 VanDerWaalsContact C-N 3.33Å; T366-K368 WeakPolarHBondContact OG1-CB 3.48Å; T366-K368 PolarHBondContact OG1-N 2.82Å; T366-A371 HydrophobicContact CG2-CB 4.01Å | ||
| 367 | K | 79.3 | Confident | 83.6 | Confident | 179 Ų | 179 | 69.1 Ų | 69.1 | 78% | 0.778 | 37% | 0.374 | S | S | * | . | trans | -86.2 | -8.5 | 170.6 | -62.9 | -175.1 | -179 | -179 | 0 | 112.4 | P264 N365 K369 | P264-K367 HydrophobicContact CB-CB 4.03Å; N365-K367 PolarHBondContact O-N 3.05Å; K367-K369 PolarHBondContact O-N 3.36Å | ||
| 368 | K | 77.2 | Confident | 83.3 | Confident | 32 Ų | 32 | 68.2 Ų | 68.2 | 14% | 0.139 | 37% | 0.374 | C | S | . | . | trans | -74.6 | 112.2 | 179.9 | -172.6 | 171.7 | -173.5 | 173.5 | 0 | 110 | E25 E29 P264 Y266 T366 G370 A371 | E25-K368 IonicContact OE2-NZ 3.29Å; E29-K368 WeakPolarHBondContact OE1-CE 3.25Å; P264-K368 HydrophobicContact CB-CB 4.41Å; P264-K368 HydrophobicContact CG-CB 3.94Å; P264-K368 HydrophobicContact CG-CG 4.46Å; Y266-K368 HydrophobicContact CD1-CB 4.47Å; Y266-K368 HydrophobicContact CD1-CD 3.27Å; Y266-K368 HydrophobicContact CD1-CG 4.46Å; Y266-K368 HydrophobicContact CD2-CD 4.24Å; Y266-K368 HydrophobicContact CE1-CD 3.63Å; Y266-K368 HydrophobicContact CG-CB 4.3Å; Y266-K368 HydrophobicContact CG-CD 3.61Å; T366-K368 VanDerWaalsContact C-N 3.33Å; T366-K368 WeakPolarHBondContact OG1-CB 3.48Å; T366-K368 PolarHBondContact OG1-N 2.82Å; K368-G370 PolarHBondContact O-N 3.04Å; K368-A371 HydrophobicContact CB-CB 4.12Å; K368-A371 HydrophobicContact CG-CB 4.28Å; K368-A371 WeakPolarHBondContact O-CB 3.47Å; K368-A371 PolarHBondContact O-N 2.8Å | ||
| 369 | K | 63.4 | Low | 82.8 | Confident | 75 Ų | 75 | 76.2 Ų | 76.2 | 33% | 0.326 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 131 | 174.7 | -77.1 | 177 | 165.4 | 168 | 0 | 110.7 | E32 K367 A371 | E32-K369 VanDerWaalsContact CG-NZ 3.29Å; E32-K369 WeakPolarHBondContact OE1-CE 3.47Å; E32-K369 IonicContact OE1-NZ 3.92Å; E32-K369 PolarHBondContact OE1-NZ 2.91Å; K367-K369 PolarHBondContact O-N 3.36Å; K369-A371 PolarHBondContact O-N 3.42Å |
| 370 | G | 67.3 | Low | 82.2 | Confident | 66 Ų | 66 | 76.8 Ų | 76.8 | 68% | 0.68 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | 21.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | K368 Q372 | K368-G370 PolarHBondContact O-N 3.04Å; G370-Q372 PolarHBondContact O-N 3.41Å |
| 371 | A | 77.4 | Confident | 82.1 | Confident | 15 Ų | 15 | 75.6 Ų | 75.6 | 12% | 0.124 | 41% | 0.411 | C | S | . | . | trans | -51.5 | 128.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y266 L362 T366 K368 K369 | Y266-A371 HydrophobicContact CD2-CB 3.91Å; Y266-A371 HydrophobicContact CG-CB 4.23Å; L362-A371 WeakPolarHBondContact CD1-O 3.45Å; L362-A371 HydrophobicContact CD2-CB 4.01Å; T366-A371 HydrophobicContact CG2-CB 4.01Å; K368-A371 HydrophobicContact CB-CB 4.12Å; K368-A371 HydrophobicContact CG-CB 4.28Å; K368-A371 WeakPolarHBondContact O-CB 3.47Å; K368-A371 PolarHBondContact O-N 2.8Å; K369-A371 PolarHBondContact O-N 3.42Å | ||
| 372 | Q | 80.8 | Confident | 82.2 | Confident | 119 Ų | 119 | 73.5 Ų | 73.5 | 56% | 0.556 | 40% | 0.396 | S | S | * | . | trans | -137.4 | 144.6 | 177.3 | -72.4 | 171.9 | 34.8 | 0 | 0 | 108.7 | Y266 G370 | Y266-Q372 WeakPolarHBondContact CE2-O 3.34Å; G370-Q372 PolarHBondContact O-N 3.41Å | ||
| 373 | V | 85.8 | Confident | 82.3 | Confident | 59 Ų | 59 | 70 Ų | 70 | 36% | 0.358 | 38% | 0.377 | S | S | . | . | trans | -59.2 | 132.3 | 169.2 | 177 | 0 | 0 | 0 | 0 | 107.9 | L267 I360 L362 P375 | L267-V373 HydrophobicContact CD2-CG2 4.44Å; I360-V373 HydrophobicContact CB-CG1 4.15Å; I360-V373 HydrophobicContact CG2-CG1 3.85Å; I360-V373 HydrophobicContact CG2-CG2 4.2Å; L362-V373 HydrophobicContact CD2-CG2 4.27Å; L362-V373 HydrophobicContact CG-CG2 4.35Å; V373-P375 WeakPolarHBondContact O-CD 3.44Å; V373-P375 VanDerWaalsContact O-N 3.09Å | ||
| 374 | P | 84.9 | Confident | 82.5 | Confident | 11 Ų | 11 | 68.6 Ų | 68.6 | 7% | 0.071 | 37% | 0.374 | C | S | . | . | trans | -58.3 | 118.2 | -175.2 | -23.7 | 32.4 | 0 | 0 | 0 | 111.3 | L267 H376 I377 I459 | L267-P374 HydrophobicContact CD1-CG 4.26Å; P374-H376 WeakPolarHBondContact CB-CE1 3.18Å; P374-H376 PolarHBondContact O-N 3.06Å; P374-I377 HydrophobicContact CB-CD1 3.86Å; P374-I377 HydrophobicContact CB-CG1 4.21Å; P374-I377 HydrophobicContact CG-CD1 4Å; P374-I377 PolarHBondContact O-N 3.3Å; P374-I459 HydrophobicContact CG-CG2 4.14Å | ||
| 375 | P | 79.4 | Confident | 83.1 | Confident | 126 Ų | 126 | 62 Ų | 62 | 82% | 0.818 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -9.5 | -168.4 | 27.8 | -36.8 | 0 | 0 | 0 | 113.7 | V373 I377 | V373-P375 WeakPolarHBondContact O-CD 3.44Å; V373-P375 VanDerWaalsContact O-N 3.09Å; P375-I377 VanDerWaalsContact C-N 3.33Å |
| 376 | H | 81.4 | Confident | 83.8 | Confident | 45 Ų | 45 | 54.9 Ų | 54.9 | 21% | 0.208 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -8.2 | 177.4 | 65.5 | -90.6 | 0 | 0 | 0 | 113.1 | P374 K464 | P374-H376 WeakPolarHBondContact CB-CE1 3.18Å; P374-H376 PolarHBondContact O-N 3.06Å; H376-K464 HydrophobicContact CB-CB 4.17Å; H376-K464 HydrophobicContact CB-CD 3.57Å; H376-K464 HydrophobicContact CB-CG 3.77Å |
| 377 | I | 87.1 | Confident | 84.4 | Confident | 13 Ų | 13 | 52.9 Ų | 52.9 | 7% | 0.067 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -96.4 | 114.6 | 176 | -57.8 | 173.6 | 0 | 0 | 0 | 107.3 | I360 P374 P375 V381 L386 C390 L391 I459 | I360-I377 HydrophobicContact CD1-CB 4.48Å; I360-I377 HydrophobicContact CD1-CD1 4.06Å; I360-I377 HydrophobicContact CD1-CG2 3.79Å; P374-I377 HydrophobicContact CB-CD1 3.86Å; P374-I377 HydrophobicContact CB-CG1 4.21Å; P374-I377 HydrophobicContact CG-CD1 4Å; P374-I377 PolarHBondContact O-N 3.3Å; P375-I377 VanDerWaalsContact C-N 3.33Å; I377-V381 HydrophobicContact CG2-CG2 4.28Å; I377-L386 HydrophobicContact CB-CD1 4.43Å; I377-L386 HydrophobicContact CD1-CD1 3.84Å; I377-L386 HydrophobicContact CG1-CD1 3.96Å; I377-L386 HydrophobicContact CG2-CD1 3.63Å; I377-C390 HydrophobicContact CG1-CB 4.31Å; I377-L391 HydrophobicContact CD1-CD2 4.39Å; I377-I459 HydrophobicContact CD1-CG2 3.54Å |
| 378 | P | 84.5 | Confident | 85.1 | Confident | 28 Ų | 28 | 45.4 Ų | 45.4 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | trans | -66.7 | 153.3 | 176.5 | -13.7 | 27.7 | 0 | 0 | 0 | 111.4 | V381 F385 | P378-V381 HydrophobicContact CB-CG1 3.7Å; P378-V381 HydrophobicContact CG-CG1 3.98Å; P378-F385 HydrophobicContact CG-CE1 4.32Å | ||
| 379 | E | 82.1 | Confident | 85.9 | Confident | 174 Ų | 174 | 47.2 Ų | 47.2 | 81% | 0.813 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 146.8 | 174.1 | -67.6 | 177.1 | -173.5 | 0 | 0 | 111 | V381 | E379-V381 VanDerWaalsContact C-N 3.29Å; E379-V381 PolarHBondContact O-N 2.96Å |
| 380 | N | 81.3 | Confident | 87.3 | Confident | 69 Ų | 69 | 44 Ų | 44 | 37% | 0.369 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 27.6 | 170 | -58.4 | -47.4 | 0 | 0 | 0 | 116.2 | R357 Q359 | R357-N380 PolarHBondContact NE-O 3.24Å; R357-N380 VanDerWaalsContact NE-O 3.12Å; R357-N380 PolarHBondContact NH2-O 2.83Å; Q359-N380 PolarHBondContact NE2-OD1 3.44Å |
| 381 | V | 89.8 | Confident | 88.6 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | trans | -79.5 | 152.8 | 174.8 | -62.9 | 0 | 0 | 0 | 0 | 112.3 | R357 V358 I377 P378 E379 F385 L386 | R357-V381 WeakPolarHBondContact CA-O 3.35Å; V358-V381 PolarHBondContact N-O 3.07Å; I377-V381 HydrophobicContact CG2-CG2 4.28Å; P378-V381 HydrophobicContact CB-CG1 3.7Å; P378-V381 HydrophobicContact CG-CG1 3.98Å; E379-V381 VanDerWaalsContact C-N 3.29Å; E379-V381 PolarHBondContact O-N 2.96Å; V381-F385 HydrophobicContact CB-CB 4.38Å; V381-F385 HydrophobicContact CB-CD1 3.72Å; V381-F385 HydrophobicContact CB-CE1 4.36Å; V381-F385 HydrophobicContact CB-CG 4.3Å; V381-F385 HydrophobicContact CG1-CD1 3.67Å; V381-F385 HydrophobicContact CG1-CE1 3.79Å; V381-F385 HydrophobicContact CG1-CG 4.46Å; V381-F385 HydrophobicContact CG2-CD1 4.37Å; V381-L386 HydrophobicContact CG2-CB 4.41Å | ||
| 382 | S | 93.7 | Very high | 89.3 | Confident | 18 Ų | 18 | 41.3 Ų | 41.3 | 13% | 0.126 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -70.8 | 156 | 171.2 | 60.9 | 0 | 0 | 0 | 0 | 112 | E282 H356 L384 F385 L386 | E282-S382 PolarHBondContact OE1-OG 2.79Å; H356-S382 CarbonylContact O-C 3.59Å; H356-S382 WeakPolarHBondContact O-CA 3.37Å; S382-L384 VanDerWaalsContact C-N 3.27Å; S382-L384 PolarHBondContact O-N 3.07Å; S382-F385 PolarHBondContact O-N 3.33Å; S382-F385 VanDerWaalsContact O-N 3.17Å; S382-F385 WeakPolarHBondContact OG-CB 3.49Å; S382-F385 PolarHBondContact OG-N 2.64Å; S382-L386 PolarHBondContact O-N 2.57Å |
| 383 | L | 95 | Very high | 90 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.3 | -40.6 | 174.9 | 175.9 | 59 | 0 | 0 | 0 | 111.7 | L271 L345 L350 K354 H356 V358 L386 L387 L455 | L271-L383 HydrophobicContact CD1-CD2 4.14Å; L271-L383 HydrophobicContact CD2-CB 4.29Å; L271-L383 HydrophobicContact CD2-CD2 4.43Å; L345-L383 HydrophobicContact CD2-CD2 3.58Å; L345-L383 HydrophobicContact CD2-CG 3.82Å; L350-L383 HydrophobicContact CB-CD2 3.87Å; L350-L383 HydrophobicContact CD1-CD2 4.16Å; K354-L383 PolarHBondContact O-N 3.31Å; H356-L383 PolarHBondContact O-N 2.93Å; V358-L383 HydrophobicContact CG2-CB 3.97Å; V358-L383 HydrophobicContact CG2-CD1 4.27Å; L383-L386 HydrophobicContact CD1-CD2 4.25Å; L383-L386 PolarHBondContact O-N 2.89Å; L383-L387 HydrophobicContact CD1-CD1 4.26Å; L383-L387 HydrophobicContact CD1-CG 4.32Å; L383-L387 PolarHBondContact O-N 3.47Å; L383-L387 VanDerWaalsContact O-N 3.12Å; L383-L455 HydrophobicContact CD1-CD1 3.89Å; L383-L455 HydrophobicContact CD1-CD2 3.53Å; L383-L455 HydrophobicContact CD1-CG 4.38Å |
| 384 | L | 95.4 | Very high | 90.3 | Very high | 57 Ų | 57 | 34.4 Ų | 34.4 | 30% | 0.298 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.6 | -47.7 | 173.9 | -179 | 62.2 | 0 | 0 | 0 | 110.9 | V341 L345 K354 S382 L386 L387 T388 | V341-L384 HydrophobicContact CG1-CD1 3.87Å; L345-L384 HydrophobicContact CD1-CD1 4.48Å; K354-L384 HydrophobicContact CB-CB 4.5Å; K354-L384 WeakPolarHBondContact O-CB 3.35Å; K354-L384 PolarHBondContact O-N 3.3Å; S382-L384 VanDerWaalsContact C-N 3.27Å; S382-L384 PolarHBondContact O-N 3.07Å; L384-L386 PolarHBondContact O-N 2.84Å; L384-L387 PolarHBondContact O-N 2.86Å; L384-T388 WeakPolarHBondContact O-CB 3.47Å; L384-T388 PolarHBondContact O-N 3.25Å; L384-T388 PolarHBondContact O-OG1 3.41Å |
| 385 | F | 94.3 | Very high | 90.5 | Very high | 17 Ų | 17 | 35 Ų | 35 | 8% | 0.075 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.3 | -43.9 | 178.5 | -176.7 | -80.4 | 0 | 0 | 0 | 112.2 | E282 L284 P378 V381 S382 L387 T388 W389 | E282-F385 WeakPolarHBondContact OE2-CD2 3.38Å; L284-F385 HydrophobicContact CD2-CE2 4.04Å; L284-F385 HydrophobicContact CD2-CZ 3.46Å; L284-F385 VanDerWaalsContact CD2-CZ 3.46Å; L284-F385 HydrophobicContact CG-CE2 4.44Å; L284-F385 HydrophobicContact CG-CZ 4.07Å; P378-F385 HydrophobicContact CG-CE1 4.32Å; V381-F385 HydrophobicContact CB-CB 4.38Å; V381-F385 HydrophobicContact CB-CD1 3.72Å; V381-F385 HydrophobicContact CB-CE1 4.36Å; V381-F385 HydrophobicContact CB-CG 4.3Å; V381-F385 HydrophobicContact CG1-CD1 3.67Å; V381-F385 HydrophobicContact CG1-CE1 3.79Å; V381-F385 HydrophobicContact CG1-CG 4.46Å; V381-F385 HydrophobicContact CG2-CD1 4.37Å; S382-F385 PolarHBondContact O-N 3.33Å; S382-F385 VanDerWaalsContact O-N 3.17Å; S382-F385 WeakPolarHBondContact OG-CB 3.49Å; S382-F385 PolarHBondContact OG-N 2.64Å; F385-L387 PolarHBondContact O-N 3.39Å; F385-T388 PolarHBondContact O-N 2.98Å; F385-T388 VanDerWaalsContact O-N 3.16Å; F385-W389 HydrophobicContact CD1-CB 4.41Å; F385-W389 AromaticContact CD2-CD1 3.73Å; F385-W389 HydrophobicContact CE1-CB 4.13Å; F385-W389 AromaticContact CE2-CD1 3.83Å; F385-W389 HydrophobicContact CE2-CG 4.29Å; F385-W389 HydrophobicContact CZ-CB 4.21Å; F385-W389 HydrophobicContact CZ-CG 4.42Å; F385-W389 PolarHBondContact O-N 2.81Å |
| 386 | L | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -54.5 | -51.4 | 177.2 | 174.4 | 75 | 0 | 0 | 0 | 111.4 | V358 I377 V381 S382 L383 L384 T388 C390 L391 L455 I459 | V358-L386 HydrophobicContact CG1-CD2 4.29Å; V358-L386 HydrophobicContact CG2-CB 4.46Å; V358-L386 HydrophobicContact CG2-CD2 4.13Å; I377-L386 HydrophobicContact CB-CD1 4.43Å; I377-L386 HydrophobicContact CD1-CD1 3.84Å; I377-L386 HydrophobicContact CG1-CD1 3.96Å; I377-L386 HydrophobicContact CG2-CD1 3.63Å; V381-L386 HydrophobicContact CG2-CB 4.41Å; S382-L386 PolarHBondContact O-N 2.57Å; L383-L386 HydrophobicContact CD1-CD2 4.25Å; L383-L386 PolarHBondContact O-N 2.89Å; L384-L386 PolarHBondContact O-N 2.84Å; L386-T388 VanDerWaalsContact C-N 3.31Å; L386-T388 PolarHBondContact O-N 3.39Å; L386-C390 HydrophobicContact CD1-CB 3.87Å; L386-C390 VanDerWaalsContact O-CB 3.28Å; L386-C390 WeakPolarHBondContact O-CB 3.28Å; L386-C390 PolarHBondContact O-N 2.65Å; L386-L391 HydrophobicContact CD1-CD1 4.36Å; L386-L391 HydrophobicContact CD1-CG 4.24Å; L386-L391 HydrophobicContact CD2-CD1 4.41Å; L386-L391 HydrophobicContact CG-CD1 4.16Å; L386-L391 HydrophobicContact CG-CG 4.35Å; L386-L391 PolarHBondContact O-N 2.95Å; L386-L455 HydrophobicContact CD2-CD1 4.35Å; L386-I459 HydrophobicContact CD2-CD1 3.63Å; L386-I459 HydrophobicContact CD2-CG1 3.91Å |
| 387 | L | 96.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | I | π-helix | trans | -73.6 | -22.4 | -179.6 | -66.1 | 179.3 | 0 | 0 | 0 | 112.9 | N336 V341 L344 L345 L383 L384 F385 L391 | N336-L387 PolarHBondContact ND2-O 2.64Å; V341-L387 HydrophobicContact CG1-CB 3.72Å; V341-L387 HydrophobicContact CG1-CD1 4.27Å; V341-L387 HydrophobicContact CG2-CB 4.42Å; L344-L387 HydrophobicContact CD2-CD2 4.2Å; L345-L387 HydrophobicContact CD2-CD1 3.57Å; L345-L387 HydrophobicContact CG-CD1 3.79Å; L383-L387 HydrophobicContact CD1-CD1 4.26Å; L383-L387 HydrophobicContact CD1-CG 4.32Å; L383-L387 PolarHBondContact O-N 3.47Å; L383-L387 VanDerWaalsContact O-N 3.12Å; L384-L387 PolarHBondContact O-N 2.86Å; F385-L387 PolarHBondContact O-N 3.39Å; L387-L391 HydrophobicContact CD2-CD1 4.23Å |
| 388 | T | 95.7 | Very high | 91.4 | Very high | 21 Ų | 21 | 32.4 Ų | 32.4 | 13% | 0.129 | 16% | 0.162 | C | C | . | . | I | π-helix | trans | -83.8 | -41.2 | 179.7 | -56.9 | 0 | 0 | 0 | 0 | 112 | P335 N336 L384 F385 L386 L465 | P335-T388 CarbonylContact C-O 3.02Å; P335-T388 WeakPolarHBondContact CA-O 3.33Å; P335-T388 HydrophobicContact CB-CG2 3.53Å; N336-T388 PolarHBondContact N-O 2.67Å; L384-T388 WeakPolarHBondContact O-CB 3.47Å; L384-T388 PolarHBondContact O-N 3.25Å; L384-T388 PolarHBondContact O-OG1 3.41Å; F385-T388 PolarHBondContact O-N 2.98Å; F385-T388 VanDerWaalsContact O-N 3.16Å; L386-T388 VanDerWaalsContact C-N 3.31Å; L386-T388 PolarHBondContact O-N 3.39Å; T388-L465 WeakPolarHBondContact O-CD2 3.5Å |
| 389 | W | 93.9 | Very high | 91.4 | Very high | 71 Ų | 71 | 32.4 Ų | 32.4 | 27% | 0.269 | 16% | 0.16 | S | C | . | . | I | π-helix | trans | -121.8 | -18.6 | -165.7 | -68.4 | 103.4 | 0 | 0 | 0 | 115.3 | F333 P335 F385 H532 | F333-W389 HydrophobicContact CB-CZ3 4.4Å; P335-W389 HydrophobicContact CB-CD2 4.12Å; P335-W389 HydrophobicContact CB-CE3 4.21Å; P335-W389 HydrophobicContact CB-CH2 3.89Å; P335-W389 HydrophobicContact CB-CZ2 3.78Å; P335-W389 HydrophobicContact CB-CZ3 4.11Å; P335-W389 HydrophobicContact CG-CH2 3.95Å; P335-W389 HydrophobicContact CG-CZ2 4.08Å; P335-W389 HydrophobicContact CG-CZ3 4.43Å; F385-W389 HydrophobicContact CD1-CB 4.41Å; F385-W389 AromaticContact CD2-CD1 3.73Å; F385-W389 HydrophobicContact CE1-CB 4.13Å; F385-W389 AromaticContact CE2-CD1 3.83Å; F385-W389 HydrophobicContact CE2-CG 4.29Å; F385-W389 HydrophobicContact CZ-CB 4.21Å; F385-W389 HydrophobicContact CZ-CG 4.42Å; F385-W389 PolarHBondContact O-N 2.81Å; W389-H532 AromaticContact CH2-CD2 3.9Å |
| 390 | C | 92.3 | Very high | 91.3 | Very high | 7 Ų | 7 | 26.1 Ų | 26.1 | 5% | 0.047 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -103.6 | -41 | -171.8 | -60.4 | 0 | 0 | 0 | 0 | 113.3 | I377 L386 K464 L465 | I377-C390 HydrophobicContact CG1-CB 4.31Å; L386-C390 HydrophobicContact CD1-CB 3.87Å; L386-C390 VanDerWaalsContact O-CB 3.28Å; L386-C390 WeakPolarHBondContact O-CB 3.28Å; L386-C390 PolarHBondContact O-N 2.65Å; C390-K464 CarbonylContact O-C 3.51Å; C390-K464 WeakPolarHBondContact O-CA 3.27Å; C390-L465 PolarHBondContact O-N 3.32Å |
| 391 | L | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.121 | C | C | . | . | B | Isolated β-bridge | trans | -105.8 | 138.3 | -172.1 | -56.9 | -177.2 | 0 | 0 | 0 | 112.5 | N336 I377 L386 L387 I393 I459 L462 | N336-L391 PolarHBondContact ND2-O 2.87Å; I377-L391 HydrophobicContact CD1-CD2 4.39Å; L386-L391 HydrophobicContact CD1-CD1 4.36Å; L386-L391 HydrophobicContact CD1-CG 4.24Å; L386-L391 HydrophobicContact CD2-CD1 4.41Å; L386-L391 HydrophobicContact CG-CD1 4.16Å; L386-L391 HydrophobicContact CG-CG 4.35Å; L386-L391 PolarHBondContact O-N 2.95Å; L387-L391 HydrophobicContact CD2-CD1 4.23Å; L391-I393 PolarHBondContact O-N 2.76Å; L391-I459 HydrophobicContact CD1-CG1 4.15Å; L391-L462 HydrophobicContact CB-CB 4.36Å; L391-L462 HydrophobicContact CB-CD1 4.35Å; L391-L462 HydrophobicContact CD1-CD1 4.27Å; L391-L462 HydrophobicContact CD2-CB 4.47Å |
| 392 | E | 93.6 | Very high | 91.8 | Very high | 24 Ų | 24 | 22.7 Ų | 22.7 | 11% | 0.112 | 12% | 0.118 | C | C | . | . | trans | -88 | 89.4 | 175.1 | 179.8 | 56.3 | -95.3 | 0 | 0 | 110.8 | R394 S395 P463 L465 R468 | E392-R394 VanDerWaalsContact C-N 3.29Å; E392-R394 PolarHBondContact O-N 2.69Å; E392-R394 WeakPolarHBondContact OE1-CB 3.31Å; E392-R394 PolarHBondContact OE1-N 3.26Å; E392-S395 WeakPolarHBondContact O-CB 3.49Å; E392-S395 PolarHBondContact O-N 3.21Å; E392-S395 PolarHBondContact O-OG 3.31Å; E392-P463 HydrophobicContact CB-CG 4.12Å; E392-P463 PolarHBondContact N-O 3.04Å; E392-L465 HydrophobicContact CB-CD1 4.31Å; E392-L465 WeakPolarHBondContact OE2-CD1 3.42Å; E392-R468 IonicContact OE2-CZ 2.71Å; E392-R468 IonicContact OE2-NH2 3.25Å; E392-R468 PolarHBondContact OE2-NH2 2.93Å | ||
| 393 | I | 94.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 1% | 0.01 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -17.1 | -175.6 | 69.2 | 179.4 | 0 | 0 | 0 | 113.2 | N336 E340 V341 L344 L391 V441 L462 | N336-I393 HydrophobicContact CB-CD1 3.9Å; N336-I393 HydrophobicContact CB-CG1 4.32Å; E340-I393 HydrophobicContact CB-CD1 4.23Å; V341-I393 HydrophobicContact CG2-CD1 4.23Å; L344-I393 HydrophobicContact CD2-CB 4.36Å; L344-I393 HydrophobicContact CD2-CG2 3.91Å; L391-I393 PolarHBondContact O-N 2.76Å; I393-V441 HydrophobicContact CB-CG1 4.18Å; I393-V441 WeakPolarHBondContact O-CG1 3.2Å; I393-V441 PolarHBondContact O-N 3.25Å; I393-L462 HydrophobicContact CG2-CD1 4.35Å |
| 394 | R | 92.9 | Very high | 91.6 | Very high | 32 Ų | 32 | 23.6 Ų | 23.6 | 12% | 0.121 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -0.7 | 175.8 | -64.9 | -178.6 | 171.4 | -170.8 | 1.5 | 113.2 | E340 E392 R503 L505 | E340-R394 IonicContact OE1-CZ 2.88Å; E340-R394 VanDerWaalsContact OE1-CZ 3.29Å; E340-R394 IonicContact OE1-NE 2.67Å; E340-R394 PolarHBondContact OE1-NE 2.86Å; E340-R394 IonicContact OE1-NH2 2.77Å; E340-R394 PolarHBondContact OE1-NH2 2.92Å; E340-R394 IonicContact OE2-CZ 2.64Å; E340-R394 IonicContact OE2-NE 2.84Å; E340-R394 PolarHBondContact OE2-NE 3.43Å; E340-R394 IonicContact OE2-NH2 3.9Å; E340-R394 PolarHBondContact OE2-NH2 3.5Å; E392-R394 VanDerWaalsContact C-N 3.29Å; E392-R394 PolarHBondContact O-N 2.69Å; E392-R394 WeakPolarHBondContact OE1-CB 3.31Å; E392-R394 PolarHBondContact OE1-N 3.26Å; R394-R503 PolarHBondContact NH1-O 3.43Å; R394-L505 VanDerWaalsContact NH1-CA 3.34Å |
| 395 | S | 89.1 | Confident | 91.6 | Very high | 24 Ų | 24 | 21.1 Ų | 21.1 | 17% | 0.168 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -61.6 | 142.3 | 175.1 | 59.9 | 0 | 0 | 0 | 0 | 110.8 | E392 P397 P463 | E392-S395 WeakPolarHBondContact O-CB 3.49Å; E392-S395 PolarHBondContact O-N 3.21Å; E392-S395 PolarHBondContact O-OG 3.31Å; S395-P397 WeakPolarHBondContact O-CD 3.08Å; S395-P463 VanDerWaalsContact OG-CD 3.23Å; S395-P463 WeakPolarHBondContact OG-CD 3.13Å; S395-P463 WeakPolarHBondContact OG-CG 3.28Å |
| 396 | V | 90.4 | Very high | 91.7 | Very high | 46 Ų | 46 | 20.3 Ų | 20.3 | 28% | 0.279 | 10% | 0.103 | S | C | . | . | P | Polyproline II helix | trans | -65.4 | 116.5 | 172.9 | 177.6 | 0 | 0 | 0 | 0 | 108.4 | K398 V434 R435 L439 | V396-K398 PolarHBondContact O-N 3.25Å; V396-V434 HydrophobicContact CG1-CG1 4.08Å; V396-R435 HydrophobicContact CG1-CB 4.29Å; V396-L439 WeakPolarHBondContact CA-O 3.21Å |
| 397 | P | 90 | Very high | 91.8 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.019 | 12% | 0.12 | C | C | . | . | P | Polyproline II helix | trans | -65.8 | 127.7 | -177.1 | -30.4 | 44.3 | 0 | 0 | 0 | 111.4 | S395 F401 L402 Y430 L439 L444 | S395-P397 WeakPolarHBondContact O-CD 3.08Å; P397-F401 HydrophobicContact CB-CB 4.23Å; P397-F401 HydrophobicContact CB-CD1 3.86Å; P397-F401 HydrophobicContact CB-CG 4.22Å; P397-F401 HydrophobicContact CG-CD1 4.48Å; P397-L402 HydrophobicContact CB-CD1 3.83Å; P397-L402 WeakPolarHBondContact O-CD1 3.45Å; P397-Y430 WeakPolarHBondContact O-CE2 3.32Å; P397-Y430 PolarHBondContact O-OH 3.37Å; P397-Y430 VanDerWaalsContact O-OH 3.12Å; P397-L439 WeakPolarHBondContact CD-O 3.44Å; P397-L444 HydrophobicContact CB-CD1 3.94Å; P397-L444 HydrophobicContact CG-CD1 3.59Å |
| 398 | K | 85.4 | Confident | 91.8 | Very high | 79 Ų | 79 | 27.2 Ų | 27.2 | 34% | 0.343 | 14% | 0.135 | S | C | . | . | P | Polyproline II helix | trans | -65.6 | 158.3 | 178 | -64.4 | -176.4 | 175.1 | -171.5 | 0 | 111 | Q19 S22 V396 A400 F401 L402 | Q19-K398 VanDerWaalsContact OE1-CE 3.32Å; S22-K398 PolarHBondContact OG-NZ 3.49Å; V396-K398 PolarHBondContact O-N 3.25Å; K398-A400 PolarHBondContact O-N 3.28Å; K398-A400 VanDerWaalsContact O-N 3.12Å; K398-F401 WeakPolarHBondContact O-CA 3.13Å; K398-F401 WeakPolarHBondContact O-CB 3.32Å; K398-F401 PolarHBondContact O-N 3.45Å; K398-L402 WeakPolarHBondContact O-CD1 3.29Å; K398-L402 PolarHBondContact O-N 3.24Å; K398-L402 VanDerWaalsContact O-N 3.13Å |
| 399 | K | 83.9 | Confident | 91.9 | Very high | 29 Ų | 29 | 26.6 Ų | 26.6 | 13% | 0.126 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -52.7 | -35.9 | 175.9 | -68.2 | -174.5 | 177.2 | -175.8 | 0 | 113.6 | F401 L402 R403 C422 Y430 | K399-F401 VanDerWaalsContact C-N 3.31Å; K399-F401 PolarHBondContact O-N 3.36Å; K399-L402 PolarHBondContact O-N 3.46Å; K399-R403 WeakPolarHBondContact O-CB 3.41Å; K399-R403 PolarHBondContact O-N 2.88Å; K399-C422 HydrophobicContact CB-CB 4.28Å; K399-C422 WeakPolarHBondContact O-CB 3.34Å; K399-Y430 HydrophobicContact CG-CD1 4.35Å; K399-Y430 HydrophobicContact CG-CD2 4.08Å; K399-Y430 HydrophobicContact CG-CE1 4.28Å; K399-Y430 HydrophobicContact CG-CE2 4Å; K399-Y430 HydrophobicContact CG-CG 4.25Å |
| 400 | A | 81.1 | Confident | 92 | Very high | 42 Ų | 42 | 28.6 Ų | 28.6 | 35% | 0.347 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -60.8 | -37.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P263 K398 R403 A404 | P263-A400 HydrophobicContact CG-CB 3.98Å; K398-A400 PolarHBondContact O-N 3.28Å; K398-A400 VanDerWaalsContact O-N 3.12Å; A400-R403 WeakPolarHBondContact O-CB 3.28Å; A400-R403 PolarHBondContact O-N 2.65Å; A400-A404 PolarHBondContact O-N 2.81Å |
| 401 | F | 88.4 | Confident | 92.3 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -69.2 | -48.4 | 174.1 | -164.7 | 168.3 | 0 | 0 | 0 | 110.6 | P397 K398 K399 R403 A404 L405 V441 L457 L458 L461 L462 | P397-F401 HydrophobicContact CB-CB 4.23Å; P397-F401 HydrophobicContact CB-CD1 3.86Å; P397-F401 HydrophobicContact CB-CG 4.22Å; P397-F401 HydrophobicContact CG-CD1 4.48Å; K398-F401 WeakPolarHBondContact O-CA 3.13Å; K398-F401 WeakPolarHBondContact O-CB 3.32Å; K398-F401 PolarHBondContact O-N 3.45Å; K399-F401 VanDerWaalsContact C-N 3.31Å; K399-F401 PolarHBondContact O-N 3.36Å; F401-R403 PolarHBondContact O-N 2.72Å; F401-A404 PolarHBondContact O-N 2.89Å; F401-L405 HydrophobicContact CD2-CD1 4.22Å; F401-L405 HydrophobicContact CD2-CD2 4.06Å; F401-L405 HydrophobicContact CD2-CG 3.8Å; F401-L405 HydrophobicContact CE2-CD1 4.21Å; F401-L405 HydrophobicContact CE2-CD2 3.56Å; F401-L405 HydrophobicContact CE2-CG 3.81Å; F401-L405 WeakPolarHBondContact O-CG 3.4Å; F401-L405 PolarHBondContact O-N 2.95Å; F401-V441 HydrophobicContact CE1-CG2 4.22Å; F401-V441 HydrophobicContact CZ-CG2 3.9Å; F401-L457 HydrophobicContact CE2-CD2 4.32Å; F401-L457 HydrophobicContact CE2-CG 4.37Å; F401-L458 HydrophobicContact CZ-CD1 4.41Å; F401-L458 HydrophobicContact CZ-CG 4.3Å; F401-L461 HydrophobicContact CB-CB 4.31Å; F401-L461 HydrophobicContact CB-CD1 4.02Å; F401-L461 HydrophobicContact CD1-CB 4.01Å; F401-L461 HydrophobicContact CD2-CB 4.39Å; F401-L461 HydrophobicContact CD2-CD1 3.97Å; F401-L461 HydrophobicContact CE1-CB 4.46Å; F401-L461 HydrophobicContact CG-CB 4Å; F401-L461 HydrophobicContact CG-CD1 4.05Å; F401-L462 HydrophobicContact CD1-CD2 4.39Å; F401-L462 HydrophobicContact CE1-CD2 3.64Å; F401-L462 HydrophobicContact CE1-CG 3.89Å |
| 402 | L | 92.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.3 | -40.8 | 175 | -78.2 | 74.1 | 0 | 0 | 0 | 111.3 | P397 K398 K399 A404 L405 V406 L421 C422 Y430 | P397-L402 HydrophobicContact CB-CD1 3.83Å; P397-L402 WeakPolarHBondContact O-CD1 3.45Å; K398-L402 WeakPolarHBondContact O-CD1 3.29Å; K398-L402 PolarHBondContact O-N 3.24Å; K398-L402 VanDerWaalsContact O-N 3.13Å; K399-L402 PolarHBondContact O-N 3.46Å; L402-A404 VanDerWaalsContact C-N 3.34Å; L402-A404 PolarHBondContact O-N 3.44Å; L402-L405 WeakPolarHBondContact O-CB 3.15Å; L402-L405 PolarHBondContact O-N 2.78Å; L402-V406 WeakPolarHBondContact O-CG2 3.39Å; L402-V406 PolarHBondContact O-N 3.35Å; L402-L421 HydrophobicContact CD2-CB 3.62Å; L402-L421 HydrophobicContact CD2-CD1 4.39Å; L402-C422 HydrophobicContact CB-CB 3.86Å; L402-Y430 HydrophobicContact CD1-CE2 4.19Å; L402-Y430 HydrophobicContact CD2-CD2 4Å; L402-Y430 HydrophobicContact CD2-CE2 4.26Å |
| 403 | R | 92.2 | Very high | 92.4 | Very high | 35 Ų | 35 | 37.9 Ų | 37.9 | 13% | 0.132 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60 | -41.4 | 174.8 | 172.2 | 60.7 | -172.9 | 98.3 | -6.7 | 112.5 | P260 L262 K399 A400 F401 V406 E407 C422 | P260-R403 HydrophobicContact CB-CG 4.5Å; P260-R403 VanDerWaalsContact O-CD 3.23Å; P260-R403 WeakPolarHBondContact O-CD 3.38Å; P260-R403 PolarHBondContact O-NE 3.27Å; L262-R403 HydrophobicContact CD1-CG 4.5Å; K399-R403 WeakPolarHBondContact O-CB 3.41Å; K399-R403 PolarHBondContact O-N 2.88Å; A400-R403 WeakPolarHBondContact O-CB 3.28Å; A400-R403 PolarHBondContact O-N 2.65Å; F401-R403 PolarHBondContact O-N 2.72Å; R403-V406 WeakPolarHBondContact O-CB 3.28Å; R403-E407 IonicContact CZ-OE1 2.68Å; R403-E407 IonicContact NH1-OE1 3.82Å; R403-E407 PolarHBondContact NH1-OE1 2.85Å; R403-E407 IonicContact NH2-OE1 3.84Å; R403-E407 PolarHBondContact NH2-OE1 2.79Å; R403-C422 HydrophobicContact CB-CB 4.28Å |
| 404 | A | 92.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.7 | -37.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L262 A400 F401 L402 V406 E407 H408 L457 L461 | L262-A404 HydrophobicContact CD1-CB 4.21Å; A400-A404 PolarHBondContact O-N 2.81Å; F401-A404 PolarHBondContact O-N 2.89Å; L402-A404 VanDerWaalsContact C-N 3.34Å; L402-A404 PolarHBondContact O-N 3.44Å; A404-V406 PolarHBondContact O-N 2.81Å; A404-E407 PolarHBondContact O-N 3Å; A404-E407 VanDerWaalsContact O-N 3.13Å; A404-H408 PolarHBondContact O-CD2 2.96Å; A404-L457 HydrophobicContact CB-CD1 3.56Å; A404-L457 HydrophobicContact CB-CD2 3.86Å; A404-L457 HydrophobicContact CB-CG 4.27Å; A404-L461 HydrophobicContact CB-CD1 3.84Å |
| 405 | L | 95.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.1 | -31.8 | 175.8 | -68.1 | -178.5 | 0 | 0 | 0 | 113 | F401 L402 E407 H408 T409 L418 L445 P453 L457 | F401-L405 HydrophobicContact CD2-CD1 4.22Å; F401-L405 HydrophobicContact CD2-CD2 4.06Å; F401-L405 HydrophobicContact CD2-CG 3.8Å; F401-L405 HydrophobicContact CE2-CD1 4.21Å; F401-L405 HydrophobicContact CE2-CD2 3.56Å; F401-L405 HydrophobicContact CE2-CG 3.81Å; F401-L405 WeakPolarHBondContact O-CG 3.4Å; F401-L405 PolarHBondContact O-N 2.95Å; L402-L405 WeakPolarHBondContact O-CB 3.15Å; L402-L405 PolarHBondContact O-N 2.78Å; L405-E407 PolarHBondContact O-N 3.23Å; L405-H408 CarbonylContact O-C 3.56Å; L405-H408 PolarHBondContact O-N 2.86Å; L405-T409 PolarHBondContact O-N 2.79Å; L405-T409 PolarHBondContact O-OG1 2.87Å; L405-L418 HydrophobicContact CB-CD1 4.23Å; L405-L445 HydrophobicContact CD2-CD2 4.39Å; L405-P453 HydrophobicContact CD2-CB 3.73Å; L405-P453 HydrophobicContact CD2-CG 3.75Å; L405-L457 HydrophobicContact CD2-CD2 4.26Å |
| 406 | V | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -51.7 | -40.9 | 175.1 | 169.9 | 0 | 0 | 0 | 0 | 111.6 | L402 R403 A404 H408 T409 R415 L418 Q419 | L402-V406 WeakPolarHBondContact O-CG2 3.39Å; L402-V406 PolarHBondContact O-N 3.35Å; R403-V406 WeakPolarHBondContact O-CB 3.28Å; A404-V406 PolarHBondContact O-N 2.81Å; V406-H408 PolarHBondContact O-N 3.11Å; V406-T409 PolarHBondContact O-N 3.11Å; V406-R415 HydrophobicContact CG1-CG 3.66Å; V406-R415 PolarHBondContact O-NH1 2.84Å; V406-L418 HydrophobicContact CG2-CB 3.58Å; V406-Q419 HydrophobicContact CB-CG 4.46Å; V406-Q419 HydrophobicContact CG1-CG 3.67Å; V406-Q419 HydrophobicContact CG2-CG 3.83Å |
| 407 | E | 96.3 | Very high | 93.2 | Very high | 76 Ų | 76 | 42.2 Ų | 42.2 | 36% | 0.355 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -73 | -16.5 | -179.1 | -57 | -52.9 | 159.7 | 0 | 0 | 114.1 | L262 R403 A404 L405 R415 | L262-E407 HydrophobicContact CD1-CG 3.83Å; L262-E407 HydrophobicContact CD2-CG 3.92Å; R403-E407 IonicContact CZ-OE1 2.68Å; R403-E407 IonicContact NH1-OE1 3.82Å; R403-E407 PolarHBondContact NH1-OE1 2.85Å; R403-E407 IonicContact NH2-OE1 3.84Å; R403-E407 PolarHBondContact NH2-OE1 2.79Å; A404-E407 PolarHBondContact O-N 3Å; A404-E407 VanDerWaalsContact O-N 3.13Å; L405-E407 PolarHBondContact O-N 3.23Å; E407-R415 IonicContact OE1-NH2 3.38Å; E407-R415 IonicContact OE2-CZ 2.69Å; E407-R415 IonicContact OE2-NH1 2.64Å; E407-R415 PolarHBondContact OE2-NH1 3.03Å; E407-R415 IonicContact OE2-NH2 2.88Å; E407-R415 PolarHBondContact OE2-NH2 2.86Å; E407-R415 VanDerWaalsContact OE2-NH2 3.12Å |
| 408 | H | 96.2 | Very high | 93.5 | Very high | 69 Ų | 69 | 42 Ų | 42 | 32% | 0.319 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 15.2 | 178.1 | -61 | -71.5 | 0 | 0 | 0 | 112.5 | A404 L405 V406 C451 S452 P453 P454 | A404-H408 PolarHBondContact O-CD2 2.96Å; L405-H408 CarbonylContact O-C 3.56Å; L405-H408 PolarHBondContact O-N 2.86Å; V406-H408 PolarHBondContact O-N 3.11Å; H408-C451 CarbonylContact O-C 3.57Å; H408-C451 VanDerWaalsContact O-CA 3.29Å; H408-C451 WeakPolarHBondContact O-CA 3.39Å; H408-S452 PolarHBondContact O-N 3.19Å; H408-P453 HydrophobicContact CB-CB 4.41Å; H408-P454 WeakPolarHBondContact CE1-CD 3.49Å |
| 409 | T | 97.5 | Very high | 94 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 6% | 0.055 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -112.1 | 116.9 | -177.7 | -54.6 | 0 | 0 | 0 | 0 | 110.7 | L405 V406 Q414 R415 L418 S450 C451 | L405-T409 PolarHBondContact O-N 2.79Å; L405-T409 PolarHBondContact O-OG1 2.87Å; V406-T409 PolarHBondContact O-N 3.11Å; T409-Q414 HydrophobicContact CG2-CB 3.7Å; T409-R415 HydrophobicContact CG2-CB 4.15Å; T409-L418 HydrophobicContact CG2-CD1 4.19Å; T409-L418 VanDerWaalsContact OG1-CD1 3.29Å; T409-L418 WeakPolarHBondContact OG1-CD1 3.32Å; T409-S450 WeakPolarHBondContact CG2-OG 3.29Å; T409-C451 HydrophobicContact CG2-CB 4.37Å; T409-C451 WeakPolarHBondContact OG1-CB 3.37Å; T409-C451 PolarHBondContact OG1-SG 2.95Å |
| 410 | S | 96.9 | Very high | 94.5 | Very high | 112 Ų | 112 | 39.1 Ų | 39.1 | 78% | 0.783 | 22% | 0.219 | S | C | * | . | trans | -82.6 | -35.5 | -174.6 | -48.9 | 0 | 0 | 0 | 0 | 113.9 | S450 | S410-S450 PolarHBondContact N-O 2.83Š| ||
| 411 | D | 97.4 | Very high | 95 | Very high | 64 Ų | 64 | 37.1 Ų | 37.1 | 34% | 0.342 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -73.9 | 129 | 179.6 | 176.7 | -97.3 | 0 | 0 | 0 | 110.8 | A413 Q414 R415 S450 | D411-A413 VanDerWaalsContact C-N 3.34Å; D411-A413 PolarHBondContact O-N 3.47Å; D411-A413 WeakPolarHBondContact OD1-CA 3.45Å; D411-A413 WeakPolarHBondContact OD1-CB 3.31Å; D411-A413 PolarHBondContact OD1-N 2.85Å; D411-Q414 HydrophobicContact CB-CB 4.1Å; D411-Q414 HydrophobicContact CB-CG 4.13Å; D411-Q414 PolarHBondContact O-N 3.04Å; D411-Q414 WeakPolarHBondContact OD1-CG 3.35Å; D411-Q414 PolarHBondContact OD1-N 3.24Å; D411-R415 VanDerWaalsContact O-CB 3.24Å; D411-R415 WeakPolarHBondContact O-CB 3.2Å; D411-R415 PolarHBondContact O-N 3.36Å; D411-S450 VanDerWaalsContact CB-OG 3.23Å; D411-S450 WeakPolarHBondContact CB-OG 3.38Å; D411-S450 PolarHBondContact N-OG 3.04Å; D411-S450 VanDerWaalsContact N-OG 3.12Å |
| 412 | S | 95.4 | Very high | 95 | Very high | 98 Ų | 98 | 36.9 Ų | 36.9 | 69% | 0.685 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -66.8 | -33.6 | -174.6 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | R416 | S412-R416 VanDerWaalsContact O-CB 3.29Å; S412-R416 WeakPolarHBondContact O-CB 3.41Å; S412-R416 PolarHBondContact O-N 2.84Å |
| 413 | A | 94.8 | Very high | 94.7 | Very high | 65 Ų | 65 | 37 Ų | 37 | 54% | 0.537 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -72.9 | -44.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | D411 R416 R417 | D411-A413 VanDerWaalsContact C-N 3.34Å; D411-A413 PolarHBondContact O-N 3.47Å; D411-A413 WeakPolarHBondContact OD1-CA 3.45Å; D411-A413 WeakPolarHBondContact OD1-CB 3.31Å; D411-A413 PolarHBondContact OD1-N 2.85Å; A413-R416 PolarHBondContact O-N 2.95Å; A413-R417 PolarHBondContact O-N 3.18Å |
| 414 | Q | 96.3 | Very high | 94 | Very high | 41 Ų | 41 | 40.9 Ų | 40.9 | 19% | 0.192 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 173.9 | -69.4 | 177.6 | 32.2 | 0 | 0 | 111.6 | T409 D411 R416 R417 L418 F448 S450 | T409-Q414 HydrophobicContact CG2-CB 3.7Å; D411-Q414 HydrophobicContact CB-CB 4.1Å; D411-Q414 HydrophobicContact CB-CG 4.13Å; D411-Q414 PolarHBondContact O-N 3.04Å; D411-Q414 WeakPolarHBondContact OD1-CG 3.35Å; D411-Q414 PolarHBondContact OD1-N 3.24Å; Q414-R416 VanDerWaalsContact C-N 3.34Å; Q414-R416 PolarHBondContact O-N 3.11Å; Q414-R417 PolarHBondContact O-N 3.05Å; Q414-L418 PolarHBondContact O-N 3.12Å; Q414-F448 HydrophobicContact CB-CD1 3.89Å; Q414-F448 HydrophobicContact CG-CD1 4Å; Q414-S450 VanDerWaalsContact CD-OG 3.32Å; Q414-S450 PolarHBondContact OE1-OG 3.5Å |
| 415 | R | 96.3 | Very high | 93.7 | Very high | 74 Ų | 74 | 45 Ų | 45 | 28% | 0.279 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.1 | -46.1 | 175.8 | -176.1 | 179.9 | 164.1 | 99.3 | -2.9 | 110.7 | V406 E407 T409 D411 L418 Q419 | V406-R415 HydrophobicContact CG1-CG 3.66Å; V406-R415 PolarHBondContact O-NH1 2.84Å; E407-R415 IonicContact OE1-NH2 3.38Å; E407-R415 IonicContact OE2-CZ 2.69Å; E407-R415 IonicContact OE2-NH1 2.64Å; E407-R415 PolarHBondContact OE2-NH1 3.03Å; E407-R415 IonicContact OE2-NH2 2.88Å; E407-R415 PolarHBondContact OE2-NH2 2.86Å; E407-R415 VanDerWaalsContact OE2-NH2 3.12Å; T409-R415 HydrophobicContact CG2-CB 4.15Å; D411-R415 VanDerWaalsContact O-CB 3.24Å; D411-R415 WeakPolarHBondContact O-CB 3.2Å; D411-R415 PolarHBondContact O-N 3.36Å; R415-L418 PolarHBondContact O-N 3.24Å; R415-Q419 WeakPolarHBondContact O-CG 3.46Å; R415-Q419 PolarHBondContact O-N 3.46Å |
| 416 | R | 95.7 | Very high | 93.3 | Very high | 74 Ų | 74 | 44.9 Ų | 44.9 | 28% | 0.279 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60 | -45 | 175.1 | 173.7 | 57.7 | -176.1 | -162.3 | -4.5 | 111.5 | S253 S255 L257 S412 A413 Q414 L418 Q419 E420 | S253-R416 PolarHBondContact O-NH2 3.13Å; S253-R416 VanDerWaalsContact O-NH2 3.11Å; S255-R416 PolarHBondContact O-NH2 2.66Å; L257-R416 VanDerWaalsContact CD1-CZ 3.43Å; L257-R416 VanDerWaalsContact CD1-NH1 3.27Å; S412-R416 VanDerWaalsContact O-CB 3.29Å; S412-R416 WeakPolarHBondContact O-CB 3.41Å; S412-R416 PolarHBondContact O-N 2.84Å; A413-R416 PolarHBondContact O-N 2.95Å; Q414-R416 VanDerWaalsContact C-N 3.34Å; Q414-R416 PolarHBondContact O-N 3.11Å; R416-L418 PolarHBondContact O-N 3.11Å; R416-Q419 WeakPolarHBondContact O-CB 3.31Å; R416-Q419 PolarHBondContact O-N 2.8Å; R416-Q419 VanDerWaalsContact O-N 3.14Å; R416-E420 IonicContact CZ-OE1 2.85Å; R416-E420 IonicContact NE-OE1 3.81Å; R416-E420 PolarHBondContact NE-OE1 3.41Å; R416-E420 IonicContact NH2-OE1 3.57Å; R416-E420 WeakPolarHBondContact O-CG 3.45Å; R416-E420 PolarHBondContact O-N 3.43Å |
| 417 | R | 96.3 | Very high | 92.6 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 2% | 0.019 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.5 | -40.9 | 180 | -175 | 57.8 | -176.2 | 153.3 | -2 | 112.6 | S244 L245 A413 Q414 Q419 E420 L421 D429 F448 | S244-R417 PolarHBondContact O-NH2 3.48Å; L245-R417 WeakPolarHBondContact O-CG 3.39Å; L245-R417 PolarHBondContact O-NE 3.41Å; L245-R417 VanDerWaalsContact O-NE 3.11Å; A413-R417 PolarHBondContact O-N 3.18Å; Q414-R417 PolarHBondContact O-N 3.05Å; R417-Q419 VanDerWaalsContact C-N 3.32Å; R417-Q419 PolarHBondContact O-N 3.32Å; R417-E420 VanDerWaalsContact CD-OE2 3.31Å; R417-E420 WeakPolarHBondContact CD-OE2 3.39Å; R417-E420 IonicContact CZ-OE2 3.84Å; R417-E420 IonicContact NH1-OE2 2.94Å; R417-E420 PolarHBondContact NH1-OE2 2.72Å; R417-E420 WeakPolarHBondContact O-CB 3.46Å; R417-E420 PolarHBondContact O-N 3.49Å; R417-L421 HydrophobicContact CG-CD1 4.43Å; R417-L421 WeakPolarHBondContact O-CG 3.22Å; R417-L421 PolarHBondContact O-N 3.06Å; R417-D429 IonicContact CZ-OD2 2.82Å; R417-D429 VanDerWaalsContact CZ-OD2 3.25Å; R417-D429 IonicContact NH1-OD2 3.48Å; R417-D429 PolarHBondContact NH1-OD2 3.39Å; R417-D429 IonicContact NH2-OD2 2.65Å; R417-D429 PolarHBondContact NH2-OD2 3.3Å; R417-F448 HydrophobicContact CB-CE1 4.07Å; R417-F448 HydrophobicContact CG-CE1 3.93Å; R417-F448 HydrophobicContact CG-CZ 4.09Å |
| 418 | L | 96.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63 | -37.7 | 173.6 | -73.9 | 171.4 | 0 | 0 | 0 | 112.2 | L405 V406 T409 Q414 R415 R416 L421 C422 F448 | L405-L418 HydrophobicContact CB-CD1 4.23Å; V406-L418 HydrophobicContact CG2-CB 3.58Å; T409-L418 HydrophobicContact CG2-CD1 4.19Å; T409-L418 VanDerWaalsContact OG1-CD1 3.29Å; T409-L418 WeakPolarHBondContact OG1-CD1 3.32Å; Q414-L418 PolarHBondContact O-N 3.12Å; R415-L418 PolarHBondContact O-N 3.24Å; R416-L418 PolarHBondContact O-N 3.11Å; L418-L421 PolarHBondContact O-N 3.36Å; L418-C422 PolarHBondContact O-N 2.72Å; L418-C422 PolarHBondContact O-SG 3.39Å; L418-F448 HydrophobicContact CD1-CG 4.33Å; L418-F448 HydrophobicContact CD2-CD1 4.48Å; L418-F448 HydrophobicContact CD2-CD2 3.75Å; L418-F448 HydrophobicContact CD2-CE1 4.37Å; L418-F448 HydrophobicContact CD2-CE2 3.63Å; L418-F448 HydrophobicContact CD2-CG 4.19Å; L418-F448 HydrophobicContact CD2-CZ 3.96Å; L418-F448 HydrophobicContact CG-CD1 4.17Å; L418-F448 HydrophobicContact CG-CD2 4.28Å; L418-F448 HydrophobicContact CG-CE1 4.18Å; L418-F448 HydrophobicContact CG-CE2 4.31Å; L418-F448 HydrophobicContact CG-CG 4.23Å; L418-F448 HydrophobicContact CG-CZ 4.26Å |
| 419 | Q | 95.6 | Very high | 92 | Very high | 45 Ų | 45 | 44 Ų | 44 | 21% | 0.21 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.1 | -42 | 173.3 | -71.7 | 172.5 | -19.1 | 0 | 0 | 112 | L257 V259 V406 R415 R416 R417 C422 S423 | L257-Q419 HydrophobicContact CD1-CB 3.91Å; V259-Q419 HydrophobicContact CG2-CB 4.08Å; V259-Q419 HydrophobicContact CG2-CG 4.46Å; V406-Q419 HydrophobicContact CB-CG 4.46Å; V406-Q419 HydrophobicContact CG1-CG 3.67Å; V406-Q419 HydrophobicContact CG2-CG 3.83Å; R415-Q419 WeakPolarHBondContact O-CG 3.46Å; R415-Q419 PolarHBondContact O-N 3.46Å; R416-Q419 WeakPolarHBondContact O-CB 3.31Å; R416-Q419 PolarHBondContact O-N 2.8Å; R416-Q419 VanDerWaalsContact O-N 3.14Å; R417-Q419 VanDerWaalsContact C-N 3.32Å; R417-Q419 PolarHBondContact O-N 3.32Å; Q419-C422 PolarHBondContact O-N 3.16Å; Q419-C422 PolarHBondContact O-SG 3.39Å; Q419-C422 VanDerWaalsContact O-SG 3.37Å; Q419-S423 VanDerWaalsContact O-CB 3.25Å; Q419-S423 WeakPolarHBondContact O-CB 3.36Å; Q419-S423 PolarHBondContact O-N 3.22Å |
| 420 | E | 94.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.1 | -50.7 | 175.9 | -67.8 | 166.5 | -176.5 | 0 | 0 | 110.8 | S248 L252 L257 R416 R417 C422 S423 G426 | S248-E420 WeakPolarHBondContact CB-OE2 3.23Å; S248-E420 PolarHBondContact OG-OE1 2.77Å; S248-E420 PolarHBondContact OG-OE2 3.05Å; L252-E420 HydrophobicContact CD1-CB 4.5Å; L252-E420 HydrophobicContact CD2-CB 4.24Å; L252-E420 HydrophobicContact CG-CB 4.31Å; L252-E420 HydrophobicContact CG-CG 4.28Å; L257-E420 HydrophobicContact CD1-CB 4.34Å; L257-E420 HydrophobicContact CD1-CG 3.64Å; L257-E420 HydrophobicContact CD2-CG 4.21Å; R416-E420 IonicContact CZ-OE1 2.85Å; R416-E420 IonicContact NE-OE1 3.81Å; R416-E420 PolarHBondContact NE-OE1 3.41Å; R416-E420 IonicContact NH2-OE1 3.57Å; R416-E420 WeakPolarHBondContact O-CG 3.45Å; R416-E420 PolarHBondContact O-N 3.43Å; R417-E420 VanDerWaalsContact CD-OE2 3.31Å; R417-E420 WeakPolarHBondContact CD-OE2 3.39Å; R417-E420 IonicContact CZ-OE2 3.84Å; R417-E420 IonicContact NH1-OE2 2.94Å; R417-E420 PolarHBondContact NH1-OE2 2.72Å; R417-E420 WeakPolarHBondContact O-CB 3.46Å; R417-E420 PolarHBondContact O-N 3.49Å; E420-C422 VanDerWaalsContact C-N 3.31Å; E420-C422 PolarHBondContact O-N 2.83Å; E420-S423 WeakPolarHBondContact O-CB 3.27Å; E420-S423 PolarHBondContact O-N 2.74Å; E420-S423 PolarHBondContact O-OG 3.11Å; E420-G426 VanDerWaalsContact O-CA 3.27Å; E420-G426 WeakPolarHBondContact O-CA 3.44Å |
| 421 | L | 91.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.2 | -36.9 | -179.3 | -69.1 | 169.9 | 0 | 0 | 0 | 112.9 | L245 L402 R417 L418 D429 Y430 V434 F448 | L245-L421 HydrophobicContact CD1-CD1 4.23Å; L402-L421 HydrophobicContact CD2-CB 3.62Å; L402-L421 HydrophobicContact CD2-CD1 4.39Å; R417-L421 HydrophobicContact CG-CD1 4.43Å; R417-L421 WeakPolarHBondContact O-CG 3.22Å; R417-L421 PolarHBondContact O-N 3.06Å; L418-L421 PolarHBondContact O-N 3.36Å; L421-D429 HydrophobicContact CD2-CB 4Å; L421-Y430 WeakPolarHBondContact O-CB 3.45Å; L421-V434 HydrophobicContact CD2-CG2 4.4Å; L421-F448 HydrophobicContact CD1-CE2 4.39Å; L421-F448 HydrophobicContact CD1-CZ 3.99Å |
| 422 | C | 88.1 | Confident | 90.8 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -85 | -12.7 | 176.3 | 67 | 0 | 0 | 0 | 0 | 114.1 | P260 K399 L402 R403 L418 Q419 E420 | P260-C422 WeakPolarHBondContact CD-O 3.49Å; P260-C422 WeakPolarHBondContact CG-O 3.16Å; K399-C422 HydrophobicContact CB-CB 4.28Å; K399-C422 WeakPolarHBondContact O-CB 3.34Å; L402-C422 HydrophobicContact CB-CB 3.86Å; R403-C422 HydrophobicContact CB-CB 4.28Å; L418-C422 PolarHBondContact O-N 2.72Å; L418-C422 PolarHBondContact O-SG 3.39Å; Q419-C422 PolarHBondContact O-N 3.16Å; Q419-C422 PolarHBondContact O-SG 3.39Å; Q419-C422 VanDerWaalsContact O-SG 3.37Å; E420-C422 VanDerWaalsContact C-N 3.31Å; E420-C422 PolarHBondContact O-N 2.83Å |
| 423 | S | 85.8 | Confident | 90.7 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -71.6 | 167.9 | -178.5 | 74.2 | 0 | 0 | 0 | 0 | 113.7 | N258 Q419 E420 Q425 G426 | N258-S423 WeakPolarHBondContact O-CA 3.44Å; N258-S423 WeakPolarHBondContact O-CB 3.36Å; Q419-S423 VanDerWaalsContact O-CB 3.25Å; Q419-S423 WeakPolarHBondContact O-CB 3.36Å; Q419-S423 PolarHBondContact O-N 3.22Å; E420-S423 WeakPolarHBondContact O-CB 3.27Å; E420-S423 PolarHBondContact O-N 2.74Å; E420-S423 PolarHBondContact O-OG 3.11Å; S423-Q425 PolarHBondContact OG-N 3.27Å; S423-G426 PolarHBondContact OG-N 2.85Å |
| 424 | K | 77.6 | Confident | 90.5 | Very high | 118 Ų | 118 | 36.8 Ų | 36.8 | 51% | 0.513 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -64.8 | -41.1 | 169.8 | -65.1 | -175.1 | -179.7 | 164.9 | 0 | 111.9 | N258 A427 | N258-K424 HydrophobicContact CB-CB 4.33Å; N258-K424 HydrophobicContact CB-CD 4.09Å; N258-K424 HydrophobicContact CB-CG 4.25Å; N258-K424 PolarHBondContact O-N 3.09Å; N258-K424 WeakPolarHBondContact OD1-CD 3.29Å; N258-K424 WeakPolarHBondContact OD1-CE 3.35Å; N258-K424 PolarHBondContact OD1-NZ 2.85Å; N258-K424 VanDerWaalsContact OD1-NZ 3.16Å; K424-A427 WeakPolarHBondContact O-CB 3.49Å; K424-A427 PolarHBondContact O-N 3.1Å |
| 425 | Q | 86.5 | Confident | 90.1 | Very high | 90 Ų | 90 | 38.7 Ų | 38.7 | 42% | 0.421 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -36.3 | -178.3 | -69.3 | 72.3 | 20 | 0 | 0 | 112.1 | L252 L257 S423 A427 | L252-Q425 HydrophobicContact CD1-CB 3.7Å; L257-Q425 HydrophobicContact CD2-CB 4.21Å; S423-Q425 PolarHBondContact OG-N 3.27Å; Q425-A427 VanDerWaalsContact C-N 3.29Å; Q425-A427 PolarHBondContact O-N 3.5Å |
| 426 | G | 87.4 | Confident | 89.7 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 17.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | E420 S423 A428 D429 Y430 | E420-G426 VanDerWaalsContact O-CA 3.27Å; E420-G426 WeakPolarHBondContact O-CA 3.44Å; S423-G426 PolarHBondContact OG-N 2.85Å; G426-A428 VanDerWaalsContact C-N 3.27Å; G426-A428 PolarHBondContact O-N 2.81Å; G426-D429 PolarHBondContact O-N 2.97Å; G426-Y430 PolarHBondContact O-N 3.25Å |
| 427 | A | 83 | Confident | 89.4 | Confident | 30 Ų | 30 | 37 Ų | 37 | 25% | 0.248 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.5 | -37.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | K424 Q425 N431 | K424-A427 WeakPolarHBondContact O-CB 3.49Å; K424-A427 PolarHBondContact O-N 3.1Å; Q425-A427 VanDerWaalsContact C-N 3.29Å; Q425-A427 PolarHBondContact O-N 3.5Å; A427-N431 WeakPolarHBondContact O-CB 3.34Å; A427-N431 PolarHBondContact O-N 3.36Å; A427-N431 PolarHBondContact O-ND2 3.19Å |
| 428 | A | 86.3 | Confident | 89.1 | Confident | 70 Ų | 70 | 38.5 Ų | 38.5 | 58% | 0.579 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -65.4 | -45.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G426 N431 L432 | G426-A428 VanDerWaalsContact C-N 3.27Å; G426-A428 PolarHBondContact O-N 2.81Å; A428-N431 PolarHBondContact O-N 3.07Å; A428-L432 WeakPolarHBondContact O-CB 3.31Å; A428-L432 PolarHBondContact O-N 3.16Å |
| 429 | D | 92.6 | Very high | 88.9 | Confident | 28 Ų | 28 | 38.5 Ų | 38.5 | 15% | 0.15 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -43 | 176.6 | -83.8 | 24.5 | 0 | 0 | 0 | 111.9 | L252 R417 L421 G426 L432 Y433 | L252-D429 HydrophobicContact CD2-CB 4.28Å; L252-D429 VanDerWaalsContact CD2-OD2 3.28Å; L252-D429 WeakPolarHBondContact CD2-OD2 3.39Å; R417-D429 IonicContact CZ-OD2 2.82Å; R417-D429 VanDerWaalsContact CZ-OD2 3.25Å; R417-D429 IonicContact NH1-OD2 3.48Å; R417-D429 PolarHBondContact NH1-OD2 3.39Å; R417-D429 IonicContact NH2-OD2 2.65Å; R417-D429 PolarHBondContact NH2-OD2 3.3Å; L421-D429 HydrophobicContact CD2-CB 4Å; G426-D429 PolarHBondContact O-N 2.97Å; D429-L432 PolarHBondContact O-N 2.91Å; D429-Y433 HydrophobicContact CB-CD2 3.96Å; D429-Y433 HydrophobicContact CB-CE2 4.16Å; D429-Y433 WeakPolarHBondContact O-CB 3.17Å; D429-Y433 WeakPolarHBondContact O-CD2 3.45Å; D429-Y433 PolarHBondContact O-N 2.71Å |
| 430 | Y | 89.9 | Confident | 88.7 | Confident | 22 Ų | 22 | 36.4 Ų | 36.4 | 9% | 0.086 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.1 | -47.2 | 174.3 | 171.1 | -95.8 | 0 | 0 | 0 | 111.9 | P397 K399 L402 L421 G426 V434 R435 | P397-Y430 WeakPolarHBondContact O-CE2 3.32Å; P397-Y430 PolarHBondContact O-OH 3.37Å; P397-Y430 VanDerWaalsContact O-OH 3.12Å; K399-Y430 HydrophobicContact CG-CD1 4.35Å; K399-Y430 HydrophobicContact CG-CD2 4.08Å; K399-Y430 HydrophobicContact CG-CE1 4.28Å; K399-Y430 HydrophobicContact CG-CE2 4Å; K399-Y430 HydrophobicContact CG-CG 4.25Å; L402-Y430 HydrophobicContact CD1-CE2 4.19Å; L402-Y430 HydrophobicContact CD2-CD2 4Å; L402-Y430 HydrophobicContact CD2-CE2 4.26Å; L421-Y430 WeakPolarHBondContact O-CB 3.45Å; G426-Y430 PolarHBondContact O-N 3.25Å; Y430-V434 HydrophobicContact CD2-CB 4.04Å; Y430-V434 HydrophobicContact CD2-CG1 4.37Å; Y430-V434 HydrophobicContact CD2-CG2 4.24Å; Y430-V434 HydrophobicContact CE2-CB 4.17Å; Y430-V434 HydrophobicContact CE2-CG1 4.05Å; Y430-V434 WeakPolarHBondContact O-CA 3.47Å; Y430-V434 VanDerWaalsContact O-CB 3.31Å; Y430-V434 WeakPolarHBondContact O-CB 3.44Å; Y430-V434 PolarHBondContact O-N 2.83Å; Y430-R435 HydrophobicContact CE1-CB 4.25Å; Y430-R435 PolarHBondContact O-N 2.89Å |
| 431 | N | 88.1 | Confident | 88.7 | Confident | 42 Ų | 42 | 36.4 Ų | 36.4 | 23% | 0.225 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -60.8 | -50.1 | 179.2 | -72.3 | -20.2 | 0 | 0 | 0 | 110.4 | A427 A428 R435 D436 | A427-N431 WeakPolarHBondContact O-CB 3.34Å; A427-N431 PolarHBondContact O-N 3.36Å; A427-N431 PolarHBondContact O-ND2 3.19Å; A428-N431 PolarHBondContact O-N 3.07Å; N431-R435 VanDerWaalsContact CG-NH2 3.26Å; N431-R435 PolarHBondContact O-N 3.22Å; N431-R435 PolarHBondContact OD1-NE 2.97Å; N431-R435 PolarHBondContact OD1-NH1 3.46Å; N431-R435 VanDerWaalsContact OD1-NH1 3.13Å; N431-R435 PolarHBondContact OD1-NH2 3.36Å; N431-D436 VanDerWaalsContact O-CB 3.23Å; N431-D436 WeakPolarHBondContact O-CB 3.37Å; N431-D436 PolarHBondContact O-N 3.49Å |
| 432 | L | 89.9 | Confident | 88.7 | Confident | 94 Ų | 94 | 38 Ų | 38 | 49% | 0.492 | 21% | 0.206 | S | C | . | . | I | π-helix | trans | -67.7 | -50.6 | -176.5 | -177.7 | 61 | 0 | 0 | 0 | 113.1 | A428 D429 | A428-L432 WeakPolarHBondContact O-CB 3.31Å; A428-L432 PolarHBondContact O-N 3.16Å; D429-L432 PolarHBondContact O-N 2.91Å |
| 433 | Y | 91.9 | Very high | 89 | Confident | 38 Ų | 38 | 39.6 Ų | 39.6 | 15% | 0.149 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -92.1 | -21.5 | -168.6 | -59.2 | -58.4 | 0 | 0 | 0 | 114.3 | A243 D429 A437 L439 | A243-Y433 HydrophobicContact CB-CE2 4.32Å; A243-Y433 VanDerWaalsContact CB-OH 3.3Å; A243-Y433 WeakPolarHBondContact CB-OH 3.33Å; A243-Y433 PolarHBondContact O-OH 3Å; A243-Y433 VanDerWaalsContact O-OH 3.09Å; D429-Y433 HydrophobicContact CB-CD2 3.96Å; D429-Y433 HydrophobicContact CB-CE2 4.16Å; D429-Y433 WeakPolarHBondContact O-CB 3.17Å; D429-Y433 WeakPolarHBondContact O-CD2 3.45Å; D429-Y433 PolarHBondContact O-N 2.71Å; Y433-A437 WeakPolarHBondContact O-CB 3.46Å; Y433-L439 WeakPolarHBondContact O-CD1 3.33Å |
| 434 | V | 91.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -112.5 | -57.1 | -177.4 | -173.7 | 0 | 0 | 0 | 0 | 110.7 | L245 V396 L421 Y430 S438 L439 L444 | L245-V434 HydrophobicContact CD1-CG2 3.9Å; V396-V434 HydrophobicContact CG1-CG1 4.08Å; L421-V434 HydrophobicContact CD2-CG2 4.4Å; Y430-V434 HydrophobicContact CD2-CB 4.04Å; Y430-V434 HydrophobicContact CD2-CG1 4.37Å; Y430-V434 HydrophobicContact CD2-CG2 4.24Å; Y430-V434 HydrophobicContact CE2-CB 4.17Å; Y430-V434 HydrophobicContact CE2-CG1 4.05Å; Y430-V434 WeakPolarHBondContact O-CA 3.47Å; Y430-V434 VanDerWaalsContact O-CB 3.31Å; Y430-V434 WeakPolarHBondContact O-CB 3.44Å; Y430-V434 PolarHBondContact O-N 2.83Å; V434-S438 PolarHBondContact O-N 2.77Å; V434-S438 VanDerWaalsContact O-N 3.15Å; V434-L439 PolarHBondContact O-N 3.26Å; V434-L444 HydrophobicContact CG1-CD1 4.24Å; V434-L444 HydrophobicContact CG2-CD2 4.46Å |
| 435 | R | 89 | Confident | 90.2 | Very high | 80 Ų | 80 | 34 Ų | 34 | 30% | 0.302 | 19% | 0.189 | S | C | . | . | I | π-helix | trans | -72.8 | -57.4 | -172.7 | -172.9 | -173.5 | 67.8 | 178.9 | 2 | 112.9 | V396 Y430 N431 A437 S438 | V396-R435 HydrophobicContact CG1-CB 4.29Å; Y430-R435 HydrophobicContact CE1-CB 4.25Å; Y430-R435 PolarHBondContact O-N 2.89Å; N431-R435 VanDerWaalsContact CG-NH2 3.26Å; N431-R435 PolarHBondContact O-N 3.22Å; N431-R435 PolarHBondContact OD1-NE 2.97Å; N431-R435 PolarHBondContact OD1-NH1 3.46Å; N431-R435 VanDerWaalsContact OD1-NH1 3.13Å; N431-R435 PolarHBondContact OD1-NH2 3.36Å; R435-A437 VanDerWaalsContact C-N 3.31Å; R435-A437 PolarHBondContact O-N 2.96Å; R435-S438 WeakPolarHBondContact O-CA 3.18Å; R435-S438 PolarHBondContact O-N 3.27Å |
| 436 | D | 87.2 | Confident | 90.5 | Very high | 96 Ų | 96 | 33.2 Ų | 33.2 | 51% | 0.513 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -33 | -174.2 | -58.4 | -6.4 | 0 | 0 | 0 | 110.2 | N431 S438 | N431-D436 VanDerWaalsContact O-CB 3.23Å; N431-D436 WeakPolarHBondContact O-CB 3.37Å; N431-D436 PolarHBondContact O-N 3.49Å; D436-S438 PolarHBondContact O-N 3.29Å |
| 437 | A | 88.8 | Confident | 90.8 | Very high | 18 Ų | 18 | 34.4 Ų | 34.4 | 15% | 0.149 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -12.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114 | Y433 R435 L439 | Y433-A437 WeakPolarHBondContact O-CB 3.46Å; R435-A437 VanDerWaalsContact C-N 3.31Å; R435-A437 PolarHBondContact O-N 2.96Å; A437-L439 HydrophobicContact CB-CD2 4.2Å; A437-L439 HydrophobicContact CB-CG 4Å; A437-L439 PolarHBondContact O-N 2.83Å |
| 438 | S | 90.3 | Very high | 91.4 | Very high | 35 Ų | 35 | 33.1 Ų | 33.1 | 25% | 0.245 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 45.7 | -179.1 | -58.3 | 0 | 0 | 0 | 0 | 113.6 | V434 R435 D436 R502 | V434-S438 PolarHBondContact O-N 2.77Å; V434-S438 VanDerWaalsContact O-N 3.15Å; R435-S438 WeakPolarHBondContact O-CA 3.18Å; R435-S438 PolarHBondContact O-N 3.27Å; D436-S438 PolarHBondContact O-N 3.29Å; S438-R502 PolarHBondContact O-NH2 3.04Å |
| 439 | L | 91.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | trans | -77.3 | 136.3 | 179.3 | -58.5 | -172.1 | 0 | 0 | 0 | 111.2 | L245 V396 P397 Y433 V434 A437 E443 R498 | L245-L439 HydrophobicContact CD1-CD1 4.09Å; L245-L439 HydrophobicContact CD2-CD1 3.57Å; L245-L439 HydrophobicContact CG-CD1 4.44Å; V396-L439 WeakPolarHBondContact CA-O 3.21Å; P397-L439 WeakPolarHBondContact CD-O 3.44Å; Y433-L439 WeakPolarHBondContact O-CD1 3.33Å; V434-L439 PolarHBondContact O-N 3.26Å; A437-L439 HydrophobicContact CB-CD2 4.2Å; A437-L439 HydrophobicContact CB-CG 4Å; A437-L439 PolarHBondContact O-N 2.83Å; L439-E443 HydrophobicContact CB-CB 4.33Å; L439-E443 HydrophobicContact CD2-CB 4.25Å; L439-E443 HydrophobicContact CD2-CG 4.45Å; L439-R498 HydrophobicContact CD2-CB 4.14Å | ||
| 440 | G | 92.4 | Very high | 92 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -94.8 | -171.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E443 L444 | G440-E443 WeakPolarHBondContact CA-OE2 3.22Å; G440-E443 PolarHBondContact N-OE2 2.95Å; G440-L444 PolarHBondContact O-N 3.27Å | ||
| 441 | V | 93.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -40.1 | -179.5 | 71.3 | 0 | 0 | 0 | 0 | 111.8 | L344 I393 F401 L444 L445 | L344-V441 HydrophobicContact CD1-CG1 4.25Å; L344-V441 HydrophobicContact CD2-CG1 4.24Å; I393-V441 HydrophobicContact CB-CG1 4.18Å; I393-V441 WeakPolarHBondContact O-CG1 3.2Å; I393-V441 PolarHBondContact O-N 3.25Å; F401-V441 HydrophobicContact CE1-CG2 4.22Å; F401-V441 HydrophobicContact CZ-CG2 3.9Å; V441-L444 PolarHBondContact O-N 3.22Å; V441-L445 HydrophobicContact CG2-CD1 4.07Å; V441-L445 HydrophobicContact CG2-CG 4.28Å; V441-L445 WeakPolarHBondContact O-CG 3.3Å; V441-L445 PolarHBondContact O-N 3.37Å |
| 442 | S | 92.1 | Very high | 92.7 | Very high | 34 Ų | 34 | 34.5 Ų | 34.5 | 24% | 0.238 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.5 | -43.7 | -177.8 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | L444 L445 A446 | S442-L444 VanDerWaalsContact C-N 3.35Å; S442-L444 PolarHBondContact O-N 2.93Å; S442-L445 PolarHBondContact O-N 3.4Å; S442-A446 WeakPolarHBondContact O-CB 3.4Å; S442-A446 PolarHBondContact O-N 3Å |
| 443 | E | 93.7 | Very high | 93 | Very high | 33 Ų | 33 | 30.3 Ų | 30.3 | 15% | 0.154 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.7 | -39 | 176.4 | -65.5 | 94 | 164.9 | 0 | 0 | 111.9 | L439 G440 A446 A447 R498 R502 | L439-E443 HydrophobicContact CB-CB 4.33Å; L439-E443 HydrophobicContact CD2-CB 4.25Å; L439-E443 HydrophobicContact CD2-CG 4.45Å; G440-E443 WeakPolarHBondContact CA-OE2 3.22Å; G440-E443 PolarHBondContact N-OE2 2.95Å; E443-A446 PolarHBondContact O-N 2.94Å; E443-A447 WeakPolarHBondContact O-CB 3.32Å; E443-A447 PolarHBondContact O-N 2.96Å; E443-R498 HydrophobicContact CG-CB 4.34Å; E443-R498 HydrophobicContact CG-CG 4.24Å; E443-R502 IonicContact OE1-NH1 3.86Å; E443-R502 PolarHBondContact OE1-NH1 3.06Å; E443-R502 IonicContact OE2-NH1 3.55Å |
| 444 | L | 93.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66 | -45.6 | 175.9 | -80.6 | 167.1 | 0 | 0 | 0 | 112.3 | L245 P397 V434 G440 V441 S442 A446 A447 F448 | L245-L444 HydrophobicContact CD1-CD2 4.09Å; P397-L444 HydrophobicContact CB-CD1 3.94Å; P397-L444 HydrophobicContact CG-CD1 3.59Å; V434-L444 HydrophobicContact CG1-CD1 4.24Å; V434-L444 HydrophobicContact CG2-CD2 4.46Å; G440-L444 PolarHBondContact O-N 3.27Å; V441-L444 PolarHBondContact O-N 3.22Å; S442-L444 VanDerWaalsContact C-N 3.35Å; S442-L444 PolarHBondContact O-N 2.93Å; L444-A446 VanDerWaalsContact C-N 3.25Å; L444-A446 PolarHBondContact O-N 3.29Å; L444-A447 PolarHBondContact O-N 3.04Å; L444-A447 VanDerWaalsContact O-N 3.14Å; L444-F448 HydrophobicContact CD2-CD2 4.28Å; L444-F448 HydrophobicContact CD2-CE2 3.83Å; L444-F448 VanDerWaalsContact O-CD2 3.24Å; L444-F448 WeakPolarHBondContact O-CD2 3.07Å; L444-F448 PolarHBondContact O-N 3.24Å |
| 445 | L | 94.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.9 | -27.9 | 178.1 | -67.1 | 179.9 | 0 | 0 | 0 | 112.6 | L344 R347 L348 L405 V441 S442 F448 C451 P453 | L344-L445 HydrophobicContact CD1-CD1 4.03Å; R347-L445 HydrophobicContact CG-CB 3.93Å; R347-L445 HydrophobicContact CG-CD1 4.22Å; R347-L445 PolarHBondContact NE-O 3.44Å; R347-L445 PolarHBondContact NH2-O 3.05Å; L348-L445 HydrophobicContact CD2-CD1 4.37Å; L405-L445 HydrophobicContact CD2-CD2 4.39Å; V441-L445 HydrophobicContact CG2-CD1 4.07Å; V441-L445 HydrophobicContact CG2-CG 4.28Å; V441-L445 WeakPolarHBondContact O-CG 3.3Å; V441-L445 PolarHBondContact O-N 3.37Å; S442-L445 PolarHBondContact O-N 3.4Å; L445-F448 CarbonylContact O-C 3.5Å; L445-C451 HydrophobicContact CD2-CB 4.26Å; L445-P453 HydrophobicContact CD1-CG 4.31Å; L445-P453 HydrophobicContact CD2-CG 3.9Å |
| 446 | A | 93 | Very high | 93.6 | Very high | 73 Ų | 73 | 29.1 Ų | 29.1 | 60% | 0.603 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -70.3 | -40.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S442 E443 L444 F448 | S442-A446 WeakPolarHBondContact O-CB 3.4Å; S442-A446 PolarHBondContact O-N 3Å; E443-A446 PolarHBondContact O-N 2.94Å; L444-A446 VanDerWaalsContact C-N 3.25Å; L444-A446 PolarHBondContact O-N 3.29Å; A446-F448 VanDerWaalsContact C-N 3.33Å; A446-F448 PolarHBondContact O-N 2.86Å |
| 447 | A | 93.7 | Very high | 94 | Very high | 25 Ų | 25 | 25.1 Ų | 25.1 | 21% | 0.207 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.9 | -29.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L245 T246 E443 L444 P449 | L245-A447 HydrophobicContact CD2-CB 3.54Å; L245-A447 HydrophobicContact CG-CB 4.31Å; T246-A447 HydrophobicContact CG2-CB 3.97Å; T246-A447 WeakPolarHBondContact CG2-O 3.3Å; E443-A447 WeakPolarHBondContact O-CB 3.32Å; E443-A447 PolarHBondContact O-N 2.96Å; L444-A447 PolarHBondContact O-N 3.04Å; L444-A447 VanDerWaalsContact O-N 3.14Å; A447-P449 VanDerWaalsContact O-CD 3.3Å; A447-P449 WeakPolarHBondContact O-CD 3.17Å |
| 448 | F | 95.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 24.3 Ų | 24.3 | 1% | 0.013 | 17% | 0.166 | C | C | . | . | trans | -117.4 | 76.1 | 179.5 | -59.1 | -74 | 0 | 0 | 0 | 110.9 | L245 T246 R347 Q414 R417 L418 L421 L444 L445 A446 S450 C451 | L245-F448 HydrophobicContact CG-CE2 4.42Å; L245-F448 HydrophobicContact CG-CZ 4.49Å; T246-F448 HydrophobicContact CG2-CE1 4.49Å; R347-F448 PolarHBondContact NH2-O 3.29Å; Q414-F448 HydrophobicContact CB-CD1 3.89Å; Q414-F448 HydrophobicContact CG-CD1 4Å; R417-F448 HydrophobicContact CB-CE1 4.07Å; R417-F448 HydrophobicContact CG-CE1 3.93Å; R417-F448 HydrophobicContact CG-CZ 4.09Å; L418-F448 HydrophobicContact CD1-CG 4.33Å; L418-F448 HydrophobicContact CD2-CD1 4.48Å; L418-F448 HydrophobicContact CD2-CD2 3.75Å; L418-F448 HydrophobicContact CD2-CE1 4.37Å; L418-F448 HydrophobicContact CD2-CE2 3.63Å; L418-F448 HydrophobicContact CD2-CG 4.19Å; L418-F448 HydrophobicContact CD2-CZ 3.96Å; L418-F448 HydrophobicContact CG-CD1 4.17Å; L418-F448 HydrophobicContact CG-CD2 4.28Å; L418-F448 HydrophobicContact CG-CE1 4.18Å; L418-F448 HydrophobicContact CG-CE2 4.31Å; L418-F448 HydrophobicContact CG-CG 4.23Å; L418-F448 HydrophobicContact CG-CZ 4.26Å; L421-F448 HydrophobicContact CD1-CE2 4.39Å; L421-F448 HydrophobicContact CD1-CZ 3.99Å; L444-F448 HydrophobicContact CD2-CD2 4.28Å; L444-F448 HydrophobicContact CD2-CE2 3.83Å; L444-F448 VanDerWaalsContact O-CD2 3.24Å; L444-F448 WeakPolarHBondContact O-CD2 3.07Å; L444-F448 PolarHBondContact O-N 3.24Å; L445-F448 CarbonylContact O-C 3.5Å; A446-F448 VanDerWaalsContact C-N 3.33Å; A446-F448 PolarHBondContact O-N 2.86Å; F448-S450 PolarHBondContact O-N 3.49Å; F448-C451 HydrophobicContact CB-CB 4.1Å; F448-C451 VanDerWaalsContact O-CB 3.22Å; F448-C451 WeakPolarHBondContact O-CB 3.44Å; F448-C451 PolarHBondContact O-N 2.79Å | ||
| 449 | P | 95.3 | Very high | 94.4 | Very high | 84 Ų | 84 | 22.7 Ų | 22.7 | 55% | 0.545 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -23.9 | -171.9 | 24.4 | -35.1 | 0 | 0 | 0 | 114.3 | R347 A447 C451 | R347-P449 PolarHBondContact NH2-O 3.34Å; A447-P449 VanDerWaalsContact O-CD 3.3Å; A447-P449 WeakPolarHBondContact O-CD 3.17Å; P449-C451 PolarHBondContact O-N 3.02Å |
| 450 | S | 96.6 | Very high | 94.3 | Very high | 28 Ų | 28 | 23.6 Ų | 23.6 | 20% | 0.196 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -5.3 | 176.3 | 74.7 | 0 | 0 | 0 | 0 | 113.7 | T409 S410 D411 Q414 F448 | T409-S450 WeakPolarHBondContact CG2-OG 3.29Å; S410-S450 PolarHBondContact N-O 2.83Å; D411-S450 VanDerWaalsContact CB-OG 3.23Å; D411-S450 WeakPolarHBondContact CB-OG 3.38Å; D411-S450 PolarHBondContact N-OG 3.04Å; D411-S450 VanDerWaalsContact N-OG 3.12Å; Q414-S450 VanDerWaalsContact CD-OG 3.32Å; Q414-S450 PolarHBondContact OE1-OG 3.5Å; F448-S450 PolarHBondContact O-N 3.49Å |
| 451 | C | 96.9 | Very high | 94 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | -82.2 | 123.3 | 176.2 | -168.6 | 0 | 0 | 0 | 0 | 110.5 | R347 H408 T409 L445 F448 P449 | R347-C451 VanDerWaalsContact CZ-O 3.25Å; R347-C451 PolarHBondContact NH1-O 3.37Å; R347-C451 PolarHBondContact NH2-O 2.82Å; H408-C451 CarbonylContact O-C 3.57Å; H408-C451 VanDerWaalsContact O-CA 3.29Å; H408-C451 WeakPolarHBondContact O-CA 3.39Å; T409-C451 HydrophobicContact CG2-CB 4.37Å; T409-C451 WeakPolarHBondContact OG1-CB 3.37Å; T409-C451 PolarHBondContact OG1-SG 2.95Å; L445-C451 HydrophobicContact CD2-CB 4.26Å; F448-C451 HydrophobicContact CB-CB 4.1Å; F448-C451 VanDerWaalsContact O-CB 3.22Å; F448-C451 WeakPolarHBondContact O-CB 3.44Å; F448-C451 PolarHBondContact O-N 2.79Å; P449-C451 PolarHBondContact O-N 3.02Å |
| 452 | S | 95.5 | Very high | 93.8 | Very high | 77 Ų | 77 | 26.3 Ų | 26.3 | 54% | 0.538 | 17% | 0.173 | S | C | . | . | trans | -134.6 | 75.1 | -179.7 | -171.1 | 0 | 0 | 0 | 0 | 110.9 | H408 | H408-S452 PolarHBondContact O-N 3.19Š| ||
| 453 | P | 95.9 | Very high | 93.5 | Very high | 6 Ų | 6 | 27.6 Ų | 27.6 | 4% | 0.039 | 18% | 0.18 | C | C | . | . | trans | -71.7 | 147.8 | -178.8 | 31.1 | -35.9 | 0 | 0 | 0 | 112.1 | L348 L405 H408 L445 L457 L458 | L348-P453 HydrophobicContact CD2-CG 4.19Å; L405-P453 HydrophobicContact CD2-CB 3.73Å; L405-P453 HydrophobicContact CD2-CG 3.75Å; H408-P453 HydrophobicContact CB-CB 4.41Å; L445-P453 HydrophobicContact CD1-CG 4.31Å; L445-P453 HydrophobicContact CD2-CG 3.9Å; P453-L457 HydrophobicContact CB-CD2 3.84Å; P453-L458 HydrophobicContact CB-CD1 4.06Å; P453-L458 HydrophobicContact CG-CD1 3.92Å | ||
| 454 | P | 95.4 | Very high | 93.3 | Very high | 53 Ų | 53 | 28.7 Ų | 28.7 | 34% | 0.344 | 19% | 0.185 | S | C | . | . | trans | -73.7 | 157.8 | 173 | 31.8 | -35.4 | 0 | 0 | 0 | 111.5 | H408 S456 L457 L458 | H408-P454 WeakPolarHBondContact CE1-CD 3.49Å; P454-S456 PolarHBondContact O-N 3.14Å; P454-L457 HydrophobicContact CG-CB 4.03Å; P454-L457 WeakPolarHBondContact O-CB 3.39Å; P454-L457 PolarHBondContact O-N 2.99Å; P454-L457 VanDerWaalsContact O-N 3.14Å; P454-L458 WeakPolarHBondContact O-CD1 3.48Å | ||
| 455 | L | 94.9 | Very high | 93.1 | Very high | 15 Ų | 15 | 29.1 Ų | 29.1 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.5 | -36.4 | 176.2 | 177.6 | 62.6 | 0 | 0 | 0 | 112.7 | V269 L271 L350 L383 L386 L457 L458 I459 | V269-L455 HydrophobicContact CG1-CD2 3.85Å; V269-L455 HydrophobicContact CG1-CG 4.26Å; L271-L455 HydrophobicContact CD1-CD2 4.47Å; L271-L455 HydrophobicContact CD2-CD2 4.16Å; L350-L455 HydrophobicContact CD1-CB 4.11Å; L350-L455 HydrophobicContact CD1-CD2 4.45Å; L383-L455 HydrophobicContact CD1-CD1 3.89Å; L383-L455 HydrophobicContact CD1-CD2 3.53Å; L383-L455 HydrophobicContact CD1-CG 4.38Å; L386-L455 HydrophobicContact CD2-CD1 4.35Å; L455-L457 VanDerWaalsContact C-N 3.27Å; L455-L457 PolarHBondContact O-N 2.99Å; L455-L458 WeakPolarHBondContact O-CB 3.31Å; L455-L458 PolarHBondContact O-N 3.49Å; L455-L458 VanDerWaalsContact O-N 3.14Å; L455-I459 HydrophobicContact CD1-CD1 4.31Å; L455-I459 HydrophobicContact CD1-CG1 4.34Å; L455-I459 HydrophobicContact CD2-CD1 4.41Å; L455-I459 HydrophobicContact CG-CD1 3.95Å; L455-I459 HydrophobicContact CG-CG1 4.39Å; L455-I459 WeakPolarHBondContact O-CG1 3.43Å; L455-I459 PolarHBondContact O-N 2.81Å |
| 456 | S | 95 | Very high | 92.8 | Very high | 26 Ų | 26 | 32.7 Ų | 32.7 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.2 | -44 | 176.9 | 52.8 | 0 | 0 | 0 | 0 | 111.8 | P454 L458 I459 E460 | P454-S456 PolarHBondContact O-N 3.14Å; S456-L458 VanDerWaalsContact C-N 3.31Å; S456-L458 PolarHBondContact O-N 2.89Å; S456-I459 PolarHBondContact O-N 3.44Å; S456-I459 VanDerWaalsContact O-N 3.17Å; S456-E460 VanDerWaalsContact O-CG 3.23Å; S456-E460 WeakPolarHBondContact O-CG 3.28Å; S456-E460 PolarHBondContact O-N 3.42Å |
| 457 | L | 94.3 | Very high | 92.8 | Very high | 12 Ų | 12 | 30.1 Ų | 30.1 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.2 | -38.8 | 179.5 | -176.6 | 64.8 | 0 | 0 | 0 | 112.4 | F401 A404 L405 P453 P454 L455 E460 L461 | F401-L457 HydrophobicContact CE2-CD2 4.32Å; F401-L457 HydrophobicContact CE2-CG 4.37Å; A404-L457 HydrophobicContact CB-CD1 3.56Å; A404-L457 HydrophobicContact CB-CD2 3.86Å; A404-L457 HydrophobicContact CB-CG 4.27Å; L405-L457 HydrophobicContact CD2-CD2 4.26Å; P453-L457 HydrophobicContact CB-CD2 3.84Å; P454-L457 HydrophobicContact CG-CB 4.03Å; P454-L457 WeakPolarHBondContact O-CB 3.39Å; P454-L457 PolarHBondContact O-N 2.99Å; P454-L457 VanDerWaalsContact O-N 3.14Å; L455-L457 VanDerWaalsContact C-N 3.27Å; L455-L457 PolarHBondContact O-N 2.99Å; L457-E460 PolarHBondContact O-N 3.36Å; L457-L461 HydrophobicContact CD1-CD1 3.55Å; L457-L461 HydrophobicContact CD1-CG 4.1Å; L457-L461 HydrophobicContact CG-CD1 4.26Å; L457-L461 PolarHBondContact O-N 3.43Å; L457-L461 VanDerWaalsContact O-N 3.11Å |
| 458 | L | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.9 | -44.1 | 176.5 | -85.3 | 70.4 | 0 | 0 | 0 | 110.8 | L344 L348 F401 P453 P454 L455 S456 E460 L461 L462 | L344-L458 HydrophobicContact CD1-CD2 4.44Å; L344-L458 HydrophobicContact CD2-CD2 4.31Å; L348-L458 HydrophobicContact CD1-CD2 3.76Å; L348-L458 HydrophobicContact CD2-CD1 4.46Å; L348-L458 HydrophobicContact CD2-CD2 4.47Å; F401-L458 HydrophobicContact CZ-CD1 4.41Å; F401-L458 HydrophobicContact CZ-CG 4.3Å; P453-L458 HydrophobicContact CB-CD1 4.06Å; P453-L458 HydrophobicContact CG-CD1 3.92Å; P454-L458 WeakPolarHBondContact O-CD1 3.48Å; L455-L458 WeakPolarHBondContact O-CB 3.31Å; L455-L458 PolarHBondContact O-N 3.49Å; L455-L458 VanDerWaalsContact O-N 3.14Å; S456-L458 VanDerWaalsContact C-N 3.31Å; S456-L458 PolarHBondContact O-N 2.89Å; L458-E460 VanDerWaalsContact C-N 3.29Å; L458-E460 PolarHBondContact O-N 2.92Å; L458-L461 PolarHBondContact O-N 2.65Å; L458-L462 HydrophobicContact CB-CD1 3.97Å; L458-L462 HydrophobicContact CD2-CD1 4.25Å; L458-L462 HydrophobicContact CG-CD1 4.09Å; L458-L462 WeakPolarHBondContact O-CB 3.24Å; L458-L462 WeakPolarHBondContact O-CG 3.17Å; L458-L462 PolarHBondContact O-N 3.1Å |
| 459 | I | 93.5 | Very high | 92.7 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.7 | -36.4 | 178.1 | -66.7 | 174.8 | 0 | 0 | 0 | 111.5 | L267 V269 V358 I360 P374 I377 L386 L391 L455 S456 | L267-I459 HydrophobicContact CD1-CB 4.27Å; L267-I459 HydrophobicContact CD1-CG2 3.53Å; V269-I459 HydrophobicContact CG1-CD1 4.13Å; V269-I459 HydrophobicContact CG2-CD1 3.99Å; V358-I459 HydrophobicContact CG1-CD1 4.21Å; I360-I459 HydrophobicContact CD1-CD1 4.1Å; I360-I459 HydrophobicContact CD1-CG2 4.28Å; I360-I459 HydrophobicContact CG1-CD1 4.48Å; P374-I459 HydrophobicContact CG-CG2 4.14Å; I377-I459 HydrophobicContact CD1-CG2 3.54Å; L386-I459 HydrophobicContact CD2-CD1 3.63Å; L386-I459 HydrophobicContact CD2-CG1 3.91Å; L391-I459 HydrophobicContact CD1-CG1 4.15Å; L455-I459 HydrophobicContact CD1-CD1 4.31Å; L455-I459 HydrophobicContact CD1-CG1 4.34Å; L455-I459 HydrophobicContact CD2-CD1 4.41Å; L455-I459 HydrophobicContact CG-CD1 3.95Å; L455-I459 HydrophobicContact CG-CG1 4.39Å; L455-I459 WeakPolarHBondContact O-CG1 3.43Å; L455-I459 PolarHBondContact O-N 2.81Å; S456-I459 PolarHBondContact O-N 3.44Å; S456-I459 VanDerWaalsContact O-N 3.17Å |
| 460 | E | 89.4 | Confident | 92.7 | Very high | 20 Ų | 20 | 30.5 Ų | 30.5 | 9% | 0.093 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.5 | -37.4 | 179.7 | -71.3 | 177.3 | 173.2 | 0 | 0 | 113.1 | Y266 L267 S456 L457 L458 | Y266-E460 HydrophobicContact CD1-CB 4.46Å; Y266-E460 HydrophobicContact CD1-CG 3.83Å; Y266-E460 HydrophobicContact CE1-CB 3.73Å; Y266-E460 HydrophobicContact CE1-CG 3.43Å; Y266-E460 VanDerWaalsContact CE1-CG 3.43Å; Y266-E460 PolarHBondContact N-OE1 2.89Å; L267-E460 HydrophobicContact CB-CG 4.12Å; L267-E460 HydrophobicContact CD1-CG 3.68Å; L267-E460 HydrophobicContact CG-CG 3.81Å; L267-E460 PolarHBondContact N-OE1 3.34Å; S456-E460 VanDerWaalsContact O-CG 3.23Å; S456-E460 WeakPolarHBondContact O-CG 3.28Å; S456-E460 PolarHBondContact O-N 3.42Å; L457-E460 PolarHBondContact O-N 3.36Å; L458-E460 VanDerWaalsContact C-N 3.29Å; L458-E460 PolarHBondContact O-N 2.92Å |
| 461 | L | 85.8 | Confident | 92.6 | Very high | 52 Ų | 52 | 29.7 Ų | 29.7 | 27% | 0.272 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -114.3 | -17 | -166.7 | -60.9 | -174.5 | 0 | 0 | 0 | 115.2 | P263 F401 A404 L457 L458 | P263-L461 HydrophobicContact CB-CD2 4.48Å; F401-L461 HydrophobicContact CB-CB 4.31Å; F401-L461 HydrophobicContact CB-CD1 4.02Å; F401-L461 HydrophobicContact CD1-CB 4.01Å; F401-L461 HydrophobicContact CD2-CB 4.39Å; F401-L461 HydrophobicContact CD2-CD1 3.97Å; F401-L461 HydrophobicContact CE1-CB 4.46Å; F401-L461 HydrophobicContact CG-CB 4Å; F401-L461 HydrophobicContact CG-CD1 4.05Å; A404-L461 HydrophobicContact CB-CD1 3.84Å; L457-L461 HydrophobicContact CD1-CD1 3.55Å; L457-L461 HydrophobicContact CD1-CG 4.1Å; L457-L461 HydrophobicContact CG-CD1 4.26Å; L457-L461 PolarHBondContact O-N 3.43Å; L457-L461 VanDerWaalsContact O-N 3.11Å; L458-L461 PolarHBondContact O-N 2.65Å |
| 462 | L | 89.6 | Confident | 92.6 | Very high | 6 Ų | 6 | 29.7 Ų | 29.7 | 3% | 0.031 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -78.1 | 137.4 | 172.4 | -71.3 | 173.7 | 0 | 0 | 0 | 110.8 | L391 I393 F401 L458 | L391-L462 HydrophobicContact CB-CB 4.36Å; L391-L462 HydrophobicContact CB-CD1 4.35Å; L391-L462 HydrophobicContact CD1-CD1 4.27Å; L391-L462 HydrophobicContact CD2-CB 4.47Å; I393-L462 HydrophobicContact CG2-CD1 4.35Å; F401-L462 HydrophobicContact CD1-CD2 4.39Å; F401-L462 HydrophobicContact CE1-CD2 3.64Å; F401-L462 HydrophobicContact CE1-CG 3.89Å; L458-L462 HydrophobicContact CB-CD1 3.97Å; L458-L462 HydrophobicContact CD2-CD1 4.25Å; L458-L462 HydrophobicContact CG-CD1 4.09Å; L458-L462 WeakPolarHBondContact O-CB 3.24Å; L458-L462 WeakPolarHBondContact O-CG 3.17Å; L458-L462 PolarHBondContact O-N 3.1Å |
| 463 | P | 86.8 | Confident | 92.6 | Very high | 61 Ų | 61 | 26 Ų | 26 | 40% | 0.396 | 14% | 0.141 | S | C | . | . | P | Polyproline II helix | trans | -73.9 | 160.8 | 176.7 | 26.1 | -25.6 | 0 | 0 | 0 | 112 | E392 S395 L465 | E392-P463 HydrophobicContact CB-CG 4.12Å; E392-P463 PolarHBondContact N-O 3.04Å; S395-P463 VanDerWaalsContact OG-CD 3.23Å; S395-P463 WeakPolarHBondContact OG-CD 3.13Å; S395-P463 WeakPolarHBondContact OG-CG 3.28Å; P463-L465 PolarHBondContact O-N 3.4Å |
| 464 | K | 88.7 | Confident | 92.6 | Very high | 56 Ų | 56 | 25.8 Ų | 25.8 | 24% | 0.243 | 14% | 0.139 | C | C | . | . | B | Isolated β-bridge | trans | -57.4 | 133.8 | 170.2 | 176.4 | -171 | -177.4 | -178.2 | 0 | 110.2 | E287 H376 C390 Q466 | E287-K464 IonicContact OE1-NZ 3.48Å; E287-K464 PolarHBondContact OE1-NZ 2.91Å; H376-K464 HydrophobicContact CB-CB 4.17Å; H376-K464 HydrophobicContact CB-CD 3.57Å; H376-K464 HydrophobicContact CB-CG 3.77Å; C390-K464 CarbonylContact O-C 3.51Å; C390-K464 WeakPolarHBondContact O-CA 3.27Å; K464-Q466 PolarHBondContact O-N 3.23Å; K464-Q466 VanDerWaalsContact O-N 3.16Å; K464-Q466 PolarHBondContact O-NE2 3.37Å |
| 465 | L | 90.7 | Very high | 92.6 | Very high | 11 Ų | 11 | 23.2 Ų | 23.2 | 6% | 0.058 | 12% | 0.123 | C | C | . | . | trans | -60.3 | 112.4 | 167.5 | -173.9 | 56.8 | 0 | 0 | 0 | 110.4 | C334 T388 C390 E392 P463 L505 | C334-L465 WeakPolarHBondContact O-CD2 3.36Å; T388-L465 WeakPolarHBondContact O-CD2 3.5Å; C390-L465 PolarHBondContact O-N 3.32Å; E392-L465 HydrophobicContact CB-CD1 4.31Å; E392-L465 WeakPolarHBondContact OE2-CD1 3.42Å; P463-L465 PolarHBondContact O-N 3.4Å; L465-L505 HydrophobicContact CD1-CD2 3.83Å | ||
| 466 | Q | 88.8 | Confident | 92.6 | Very high | 75 Ų | 75 | 24.7 Ų | 24.7 | 35% | 0.35 | 13% | 0.13 | S | C | . | . | trans | -86.2 | 141.7 | -175.6 | -61.3 | -59.2 | -52.6 | 0 | 0 | 111.2 | K464 R468 | K464-Q466 PolarHBondContact O-N 3.23Å; K464-Q466 VanDerWaalsContact O-N 3.16Å; K464-Q466 PolarHBondContact O-NE2 3.37Å; Q466-R468 VanDerWaalsContact O-CD 3.32Å; Q466-R468 WeakPolarHBondContact O-CD 3.44Å; Q466-R468 PolarHBondContact O-NH1 3.07Å; Q466-R468 VanDerWaalsContact O-NH1 3.07Å | ||
| 467 | P | 92 | Very high | 92.6 | Very high | 20 Ų | 20 | 27 Ų | 27 | 13% | 0.13 | 14% | 0.14 | C | C | . | . | trans | -66.2 | 156.9 | 164.3 | 29.6 | -33.2 | 0 | 0 | 0 | 110.8 | D331 V332 F333 | D331-P467 HydrophobicContact CB-CB 3.7Å; D331-P467 HydrophobicContact CB-CG 4.1Å; V332-P467 WeakPolarHBondContact O-CA 3.29Å; F333-P467 HydrophobicContact CD1-CB 3.95Å; F333-P467 HydrophobicContact CD1-CG 4.49Å; F333-P467 HydrophobicContact CD2-CB 4.48Å; F333-P467 HydrophobicContact CE1-CB 3.95Å; F333-P467 HydrophobicContact CE1-CG 4.07Å; F333-P467 HydrophobicContact CE2-CB 4.47Å; F333-P467 HydrophobicContact CG-CB 4.21Å; F333-P467 HydrophobicContact CZ-CB 4.21Å; F333-P467 HydrophobicContact CZ-CG 4.37Å | ||
| 468 | R | 94.2 | Very high | 92.6 | Very high | 49 Ų | 49 | 29.7 Ų | 29.7 | 19% | 0.185 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 120.3 | -178 | -79.5 | 69.4 | 175.9 | -164.2 | 7.3 | 109.5 | V332 E392 Q466 Y470 C506 | V332-R468 PolarHBondContact N-O 3.41Å; V332-R468 PolarHBondContact O-N 3.21Å; E392-R468 IonicContact OE2-CZ 2.71Å; E392-R468 IonicContact OE2-NH2 3.25Å; E392-R468 PolarHBondContact OE2-NH2 2.93Å; Q466-R468 VanDerWaalsContact O-CD 3.32Å; Q466-R468 WeakPolarHBondContact O-CD 3.44Å; Q466-R468 PolarHBondContact O-NH1 3.07Å; Q466-R468 VanDerWaalsContact O-NH1 3.07Å; R468-Y470 HydrophobicContact CB-CE2 3.91Å; R468-Y470 WeakPolarHBondContact O-CD2 3.49Å; R468-C506 HydrophobicContact CB-CB 3.96Å; R468-C506 HydrophobicContact CG-CB 3.57Å |
| 469 | P | 93.1 | Very high | 92.6 | Very high | 45 Ų | 45 | 32 Ų | 32 | 29% | 0.292 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 142.2 | 178.9 | 30.6 | -34 | 0 | 0 | 0 | 111.3 | F330 W712 | F330-P469 CarbonylContact O-C 3.5Å; F330-P469 VanDerWaalsContact O-CA 3.27Å; F330-P469 WeakPolarHBondContact O-CA 2.96Å; P469-W712 HydrophobicContact CB-CH2 3.81Å; P469-W712 HydrophobicContact CB-CZ3 3.74Å; P469-W712 HydrophobicContact CG-CE3 3.94Å; P469-W712 HydrophobicContact CG-CH2 4.01Å; P469-W712 HydrophobicContact CG-CZ3 3.39Å |
| 470 | Y | 95.3 | Very high | 92.6 | Very high | 25 Ų | 25 | 35.9 Ų | 35.9 | 10% | 0.098 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 139.8 | 170.4 | -63.8 | -85 | 0 | 0 | 0 | 110.2 | S329 F330 V332 R468 F485 F487 C506 T507 L510 | S329-Y470 CarbonylContact C-O 3.54Å; S329-Y470 WeakPolarHBondContact CA-O 3.46Å; S329-Y470 WeakPolarHBondContact CB-O 3.3Å; F330-Y470 WeakPolarHBondContact CD1-O 3.4Å; F330-Y470 PolarHBondContact N-O 3.5Å; F330-Y470 PolarHBondContact O-N 2.85Å; V332-Y470 HydrophobicContact CB-CD2 4.14Å; V332-Y470 HydrophobicContact CB-CE2 3.9Å; V332-Y470 HydrophobicContact CG2-CD2 3.58Å; V332-Y470 HydrophobicContact CG2-CE2 3.75Å; R468-Y470 HydrophobicContact CB-CE2 3.91Å; R468-Y470 WeakPolarHBondContact O-CD2 3.49Å; Y470-F485 AromaticContact CD1-CD2 3.79Å; Y470-F485 HydrophobicContact CD1-CD2 3.79Å; Y470-F485 HydrophobicContact CD1-CE2 4.12Å; Y470-F485 HydrophobicContact CD2-CD2 4.12Å; Y470-F485 AromaticContact CD2-CE2 3.97Å; Y470-F485 HydrophobicContact CD2-CE2 3.97Å; Y470-F485 HydrophobicContact CE1-CD2 4.43Å; Y470-F485 HydrophobicContact CE1-CE2 4.36Å; Y470-F485 HydrophobicContact CE2-CE2 4.2Å; Y470-F485 AromaticContact CG-CD2 3.62Å; Y470-F485 HydrophobicContact CG-CD2 3.62Å; Y470-F485 AromaticContact CG-CE2 3.92Å; Y470-F485 HydrophobicContact CG-CE2 3.92Å; Y470-F487 HydrophobicContact CD1-CB 4.02Å; Y470-F487 HydrophobicContact CE1-CB 3.54Å; Y470-F487 HydrophobicContact CE1-CD1 4.39Å; Y470-F487 HydrophobicContact CE1-CG 4.09Å; Y470-C506 PolarHBondContact OH-SG 3.07Å; Y470-T507 WeakPolarHBondContact OH-CG2 3.34Å; Y470-L510 HydrophobicContact CE2-CD1 4.35Å |
| 471 | S | 95.1 | Very high | 92.8 | Very high | 12 Ų | 12 | 40.5 Ų | 40.5 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 134.7 | 174.9 | -44.3 | 0 | 0 | 0 | 0 | 110.4 | A473 D710 | S471-A473 PolarHBondContact O-N 2.89Å; S471-D710 PolarHBondContact OG-OD2 3.01Å |
| 472 | A | 95.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | trans | -66.2 | 130.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y324 D328 L483 P562 | Y324-A472 HydrophobicContact CD2-CB 3.98Å; Y324-A472 HydrophobicContact CE2-CB 3.78Å; D328-A472 WeakPolarHBondContact O-CB 3.34Å; D328-A472 PolarHBondContact O-N 2.87Å; A472-L483 HydrophobicContact CB-CD1 3.79Å; A472-P562 WeakPolarHBondContact O-CA 3.48Å | ||
| 473 | A | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -108.5 | 23.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S471 R484 A561 I564 | S471-A473 PolarHBondContact O-N 2.89Å; A473-R484 PolarHBondContact N-O 3.37Å; A473-A561 VanDerWaalsContact CA-O 3.27Å; A473-A561 WeakPolarHBondContact CA-O 3.33Å; A473-A561 HydrophobicContact CB-CB 4.11Å; A473-I564 WeakPolarHBondContact O-CG2 3.41Å | ||
| 474 | C | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -152.1 | 165 | 173.5 | 61.4 | 0 | 0 | 0 | 0 | 112.8 | Y324 R484 Q568 | Y324-C474 PolarHBondContact OH-SG 3.18Å; C474-R484 HydrophobicContact CB-CB 4Å; C474-R484 HydrophobicContact CB-CG 4.29Å; C474-R484 VanDerWaalsContact SG-CB 3.59Å; C474-R484 PolarHBondContact SG-N 2.8Å; C474-Q568 VanDerWaalsContact CB-OE1 3.24Å |
| 475 | S | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -99.9 | 139.8 | 170.4 | 167 | 0 | 0 | 0 | 0 | 111.1 | L477 R478 H479 Q569 | S475-L477 PolarHBondContact O-N 3.2Å; S475-L477 WeakPolarHBondContact OG-CB 3.36Å; S475-L477 PolarHBondContact OG-N 3.45Å; S475-R478 PolarHBondContact O-N 2.99Å; S475-H479 PolarHBondContact O-N 3.42Å; S475-Q569 PolarHBondContact OG-OE1 3.14Å | ||
| 476 | L | 94.4 | Very high | 94.7 | Very high | 46 Ų | 46 | 35.7 Ų | 35.7 | 24% | 0.241 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -20.8 | 170.9 | -75.1 | -174.9 | 0 | 0 | 0 | 113.4 | I316 Y324 H479 P480 | I316-L476 HydrophobicContact CD1-CD2 4.37Å; Y324-L476 HydrophobicContact CD1-CD1 4.02Å; Y324-L476 HydrophobicContact CD1-CD2 4.09Å; Y324-L476 HydrophobicContact CD1-CG 4.03Å; Y324-L476 HydrophobicContact CE1-CD1 4.13Å; Y324-L476 HydrophobicContact CE1-CD2 3.37Å; Y324-L476 HydrophobicContact CE1-CG 3.65Å; Y324-L476 HydrophobicContact CE2-CG 4.43Å; Y324-L476 WeakPolarHBondContact O-CD1 3.25Å; L476-H479 CarbonylContact O-C 3.6Å; L476-P480 WeakPolarHBondContact O-CA 3.38Å |
| 477 | L | 94.2 | Very high | 95 | Very high | 73 Ų | 73 | 32.4 Ų | 32.4 | 38% | 0.382 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -39.6 | 173.6 | -63.4 | -176.8 | 0 | 0 | 0 | 111.4 | S475 Q569 E572 E573 | S475-L477 PolarHBondContact O-N 3.2Å; S475-L477 WeakPolarHBondContact OG-CB 3.36Å; S475-L477 PolarHBondContact OG-N 3.45Å; L477-Q569 HydrophobicContact CD1-CG 4.45Å; L477-E572 HydrophobicContact CB-CB 3.98Å; L477-E572 HydrophobicContact CB-CG 4.13Å; L477-E572 HydrophobicContact CD1-CB 4.24Å; L477-E573 HydrophobicContact CD1-CG 4.23Å |
| 478 | R | 94.8 | Very high | 95.2 | Very high | 70 Ų | 70 | 33.2 Ų | 33.2 | 26% | 0.264 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -39.7 | 178.9 | 179.9 | 60.5 | 56.8 | 103.4 | 19.3 | 112.3 | S475 Q568 E571 E572 | S475-R478 PolarHBondContact O-N 2.99Å; R478-Q568 HydrophobicContact CB-CB 4.08Å; R478-Q568 HydrophobicContact CB-CG 4.44Å; R478-Q568 HydrophobicContact CG-CB 4.48Å; R478-Q568 HydrophobicContact CG-CG 4.34Å; R478-E571 IonicContact CZ-OE2 3.79Å; R478-E571 VanDerWaalsContact CZ-OE2 3.22Å; R478-E571 IonicContact NH1-OE2 3.43Å; R478-E571 PolarHBondContact NH1-OE2 3.24Å; R478-E571 IonicContact NH2-OE2 2.75Å; R478-E571 PolarHBondContact NH2-OE2 3.23Å; R478-E572 HydrophobicContact CB-CG 4.31Å; R478-E572 IonicContact CZ-OE1 3.76Å; R478-E572 IonicContact NE-OE1 3.11Å; R478-E572 PolarHBondContact NE-OE1 2.96Å; R478-E572 IonicContact NH1-OE1 2.89Å; R478-E572 IonicContact NH2-OE1 3.72Å; R478-E572 PolarHBondContact NH2-OE1 3.46Å |
| 479 | H | 93.8 | Very high | 95.1 | Very high | 48 Ų | 48 | 31.4 Ų | 31.4 | 22% | 0.222 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -126.5 | 77.2 | -176.3 | -63.1 | -76.8 | 0 | 0 | 0 | 110.1 | S475 L476 E481 K482 R484 | S475-H479 PolarHBondContact O-N 3.42Å; L476-H479 CarbonylContact O-C 3.6Å; H479-E481 PolarHBondContact O-N 2.94Å; H479-K482 HydrophobicContact CB-CB 4.08Å; H479-K482 PolarHBondContact O-N 3.32Å; H479-R484 PolarHBondContact NE2-NH1 3.2Å |
| 480 | P | 93.5 | Very high | 95.1 | Very high | 84 Ų | 84 | 32.4 Ų | 32.4 | 55% | 0.545 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 140.7 | 173.5 | -23.4 | 33.6 | 0 | 0 | 0 | 110.4 | L476 K482 | L476-P480 WeakPolarHBondContact O-CA 3.38Å; P480-K482 PolarHBondContact O-N 2.75Å |
| 481 | E | 94.1 | Very high | 94.9 | Very high | 117 Ų | 117 | 37.4 Ų | 37.4 | 55% | 0.547 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 14.3 | 174.8 | -51.3 | 176.9 | 163 | 0 | 0 | 115.5 | I316 S317 H479 | I316-E481 WeakPolarHBondContact CG1-O 3.47Å; I316-E481 PolarHBondContact N-O 3.05Å; S317-E481 WeakPolarHBondContact CB-OE2 3.43Å; S317-E481 PolarHBondContact N-O 2.77Å; H479-E481 PolarHBondContact O-N 2.94Å |
| 482 | K | 95.2 | Very high | 94.7 | Very high | 46 Ų | 46 | 40.1 Ų | 40.1 | 20% | 0.2 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 146.7 | 175.8 | -55 | -60.9 | 174 | -161.6 | 0 | 111.3 | E313 L314 D315 Y324 H479 P480 | E313-K482 HydrophobicContact CG-CB 4.04Å; E313-K482 HydrophobicContact CG-CD 4.27Å; E313-K482 HydrophobicContact CG-CG 4.36Å; L314-K482 WeakPolarHBondContact O-CA 3.44Å; D315-K482 IonicContact OD1-NZ 2.72Å; D315-K482 PolarHBondContact OD1-NZ 2.88Å; D315-K482 VanDerWaalsContact OD1-NZ 3.11Å; D315-K482 IonicContact OD2-NZ 3.82Å; D315-K482 PolarHBondContact OD2-NZ 2.99Å; Y324-K482 PolarHBondContact OH-O 3.16Å; H479-K482 HydrophobicContact CB-CB 4.08Å; H479-K482 PolarHBondContact O-N 3.32Å; P480-K482 PolarHBondContact O-N 2.75Å |
| 483 | L | 96.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 118.1 | 171.9 | 173.1 | 61.9 | 0 | 0 | 0 | 109.6 | E313 L314 I316 M322 Y324 F330 A472 | E313-L483 CarbonylContact C-O 3.52Å; E313-L483 WeakPolarHBondContact CA-O 3.17Å; L314-L483 HydrophobicContact CB-CB 4.31Å; L314-L483 HydrophobicContact CD1-CD2 4.19Å; L314-L483 HydrophobicContact CD1-CG 4.47Å; L314-L483 PolarHBondContact N-O 3.35Å; L314-L483 PolarHBondContact O-N 2.77Å; I316-L483 HydrophobicContact CD1-CB 4.49Å; I316-L483 HydrophobicContact CG2-CB 4.18Å; M322-L483 HydrophobicContact CE-CD2 3.76Å; Y324-L483 HydrophobicContact CD1-CD1 4.25Å; Y324-L483 HydrophobicContact CD2-CD1 4.35Å; Y324-L483 HydrophobicContact CE1-CB 4.09Å; Y324-L483 HydrophobicContact CE1-CD1 3.74Å; Y324-L483 HydrophobicContact CE1-CG 4.45Å; Y324-L483 HydrophobicContact CE2-CD1 3.9Å; F330-L483 HydrophobicContact CD1-CD1 4.03Å; F330-L483 HydrophobicContact CD1-CD2 3.74Å; F330-L483 HydrophobicContact CD1-CG 4.24Å; F330-L483 HydrophobicContact CD2-CD2 4.08Å; F330-L483 HydrophobicContact CE1-CD1 3.91Å; F330-L483 HydrophobicContact CE1-CD2 3.86Å; F330-L483 HydrophobicContact CE1-CG 3.97Å; F330-L483 HydrophobicContact CE2-CD2 4.16Å; F330-L483 HydrophobicContact CG-CD2 3.85Å; F330-L483 HydrophobicContact CZ-CD2 4.05Å; F330-L483 HydrophobicContact CZ-CG 4.26Å; A472-L483 HydrophobicContact CB-CD1 3.79Å |
| 484 | R | 96.9 | Very high | 94 | Very high | 29 Ų | 29 | 47.9 Ų | 47.9 | 11% | 0.109 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 146.1 | 179.6 | -65.1 | 171.6 | 63.9 | -165.1 | -4.8 | 110.8 | L311 L312 E313 A473 C474 H479 | L311-R484 HydrophobicContact CD1-CB 4.14Å; L312-R484 CarbonylContact O-C 3.53Å; L312-R484 VanDerWaalsContact O-CA 3.23Å; L312-R484 WeakPolarHBondContact O-CA 3.3Å; E313-R484 HydrophobicContact CB-CG 3.91Å; E313-R484 HydrophobicContact CG-CG 3.67Å; A473-R484 PolarHBondContact N-O 3.37Å; C474-R484 HydrophobicContact CB-CB 4Å; C474-R484 HydrophobicContact CB-CG 4.29Å; C474-R484 VanDerWaalsContact SG-CB 3.59Å; C474-R484 PolarHBondContact SG-N 2.8Å; H479-R484 PolarHBondContact NE2-NH1 3.2Å |
| 485 | F | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 154.7 | 173 | 69.5 | -72.6 | 0 | 0 | 0 | 111 | L311 L312 L314 F330 V332 Y470 F487 L510 | L311-F485 WeakPolarHBondContact CA-O 3.29Å; L312-F485 HydrophobicContact CB-CD1 4.02Å; L312-F485 HydrophobicContact CB-CE1 3.56Å; L312-F485 HydrophobicContact CB-CZ 3.98Å; L312-F485 HydrophobicContact CD1-CE1 4.16Å; L312-F485 HydrophobicContact CD1-CZ 3.76Å; L312-F485 HydrophobicContact CG-CE1 4.35Å; L312-F485 HydrophobicContact CG-CZ 4.28Å; L312-F485 PolarHBondContact N-O 2.84Å; L312-F485 PolarHBondContact O-N 3Å; L314-F485 HydrophobicContact CD1-CD1 4.47Å; L314-F485 HydrophobicContact CD1-CE1 3.97Å; L314-F485 HydrophobicContact CD2-CE1 4.14Å; L314-F485 HydrophobicContact CG-CE1 4.05Å; F330-F485 HydrophobicContact CE1-CB 3.84Å; F330-F485 HydrophobicContact CE1-CD1 4.37Å; F330-F485 HydrophobicContact CE1-CG 4.18Å; F330-F485 HydrophobicContact CE2-CD1 4.26Å; F330-F485 HydrophobicContact CE2-CE1 4.3Å; F330-F485 HydrophobicContact CE2-CG 4.47Å; F330-F485 HydrophobicContact CZ-CB 3.67Å; F330-F485 AromaticContact CZ-CD1 3.46Å; F330-F485 HydrophobicContact CZ-CD1 3.46Å; F330-F485 VanDerWaalsContact CZ-CD1 3.46Å; F330-F485 HydrophobicContact CZ-CD2 4.04Å; F330-F485 AromaticContact CZ-CE1 3.93Å; F330-F485 HydrophobicContact CZ-CE1 3.93Å; F330-F485 HydrophobicContact CZ-CE2 4.48Å; F330-F485 AromaticContact CZ-CG 3.48Å; F330-F485 HydrophobicContact CZ-CG 3.48Å; F330-F485 VanDerWaalsContact CZ-CG 3.48Å; F330-F485 HydrophobicContact CZ-CZ 4.41Å; V332-F485 HydrophobicContact CG2-CZ 4.37Å; Y470-F485 AromaticContact CD1-CD2 3.79Å; Y470-F485 HydrophobicContact CD1-CD2 3.79Å; Y470-F485 HydrophobicContact CD1-CE2 4.12Å; Y470-F485 HydrophobicContact CD2-CD2 4.12Å; Y470-F485 AromaticContact CD2-CE2 3.97Å; Y470-F485 HydrophobicContact CD2-CE2 3.97Å; Y470-F485 HydrophobicContact CE1-CD2 4.43Å; Y470-F485 HydrophobicContact CE1-CE2 4.36Å; Y470-F485 HydrophobicContact CE2-CE2 4.2Å; Y470-F485 AromaticContact CG-CD2 3.62Å; Y470-F485 HydrophobicContact CG-CD2 3.62Å; Y470-F485 AromaticContact CG-CE2 3.92Å; Y470-F485 HydrophobicContact CG-CE2 3.92Å; F485-F487 AromaticContact CD2-CD1 3.92Å; F485-F487 HydrophobicContact CD2-CD1 3.92Å; F485-F487 AromaticContact CE2-CD1 3.62Å; F485-F487 HydrophobicContact CE2-CD1 3.62Å; F485-F487 AromaticContact CE2-CE1 3.89Å; F485-F487 HydrophobicContact CE2-CE1 3.89Å; F485-F487 HydrophobicContact CZ-CE1 4.4Å; F485-L510 HydrophobicContact CE2-CD1 3.93Å; F485-L510 HydrophobicContact CZ-CD1 4.03Å |
| 486 | V | 96.2 | Very high | 92.9 | Very high | 9 Ų | 9 | 54.5 Ų | 54.5 | 6% | 0.055 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 139.9 | -178.9 | 62.1 | 0 | 0 | 0 | 0 | 110.1 | L300 L310 T558 A561 L599 F600 | L300-V486 HydrophobicContact CD1-CG2 3.83Å; L310-V486 VanDerWaalsContact O-CA 3.27Å; L310-V486 WeakPolarHBondContact O-CA 2.93Å; L310-V486 WeakPolarHBondContact O-CG2 3.04Å; V486-T558 HydrophobicContact CG2-CG2 4.22Å; V486-A561 HydrophobicContact CG1-CB 3.55Å; V486-L599 HydrophobicContact CG2-CD1 4.4Å; V486-F600 HydrophobicContact CB-CE2 4.27Å; V486-F600 HydrophobicContact CB-CZ 4.23Å; V486-F600 HydrophobicContact CG1-CE2 4.06Å; V486-F600 HydrophobicContact CG1-CZ 4.33Å; V486-F600 HydrophobicContact CG2-CE2 4.37Å |
| 487 | F | 95.7 | Very high | 92.2 | Very high | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.026 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 157.4 | 176.4 | 64.4 | -89.5 | 0 | 0 | 0 | 111.8 | A309 L310 L312 Y470 F485 V489 T507 L510 | A309-F487 WeakPolarHBondContact CA-O 3.44Å; L310-F487 HydrophobicContact CB-CE1 4.13Å; L310-F487 HydrophobicContact CB-CE2 4.23Å; L310-F487 HydrophobicContact CB-CZ 3.88Å; L310-F487 HydrophobicContact CD1-CE2 4.15Å; L310-F487 HydrophobicContact CD1-CZ 3.87Å; L310-F487 HydrophobicContact CG-CZ 4.44Å; L310-F487 PolarHBondContact N-O 3.24Å; L310-F487 PolarHBondContact O-N 2.93Å; L312-F487 HydrophobicContact CD1-CE1 3.72Å; L312-F487 HydrophobicContact CD1-CZ 4.24Å; L312-F487 HydrophobicContact CG-CE1 3.84Å; Y470-F487 HydrophobicContact CD1-CB 4.02Å; Y470-F487 HydrophobicContact CE1-CB 3.54Å; Y470-F487 HydrophobicContact CE1-CD1 4.39Å; Y470-F487 HydrophobicContact CE1-CG 4.09Å; F485-F487 AromaticContact CD2-CD1 3.92Å; F485-F487 HydrophobicContact CD2-CD1 3.92Å; F485-F487 AromaticContact CE2-CD1 3.62Å; F485-F487 HydrophobicContact CE2-CD1 3.62Å; F485-F487 AromaticContact CE2-CE1 3.89Å; F485-F487 HydrophobicContact CE2-CE1 3.89Å; F485-F487 HydrophobicContact CZ-CE1 4.4Å; F487-V489 HydrophobicContact CE2-CG2 4.41Å; F487-T507 HydrophobicContact CB-CG2 4.45Å; F487-T507 HydrophobicContact CD2-CG2 3.64Å; F487-T507 HydrophobicContact CE2-CG2 4.26Å; F487-T507 HydrophobicContact CG-CG2 4.3Å; F487-L510 HydrophobicContact CD1-CD1 4.35Å; F487-L510 HydrophobicContact CE1-CB 4.18Å; F487-L510 HydrophobicContact CE1-CD1 3.83Å; F487-L510 HydrophobicContact CE2-CB 4.27Å; F487-L510 HydrophobicContact CZ-CB 3.59Å; F487-L510 HydrophobicContact CZ-CD1 3.98Å; F487-L510 HydrophobicContact CZ-CG 4.46Å |
| 488 | N | 94.6 | Very high | 91.9 | Very high | 37 Ų | 37 | 50.4 Ų | 50.4 | 20% | 0.198 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 136.7 | 168.3 | -69.6 | -46.4 | 0 | 0 | 0 | 109.2 | T308 A309 V490 T507 T558 | T308-N488 CarbonylContact O-C 3.54Å; T308-N488 WeakPolarHBondContact O-CA 3.25Å; A309-N488 WeakPolarHBondContact CB-OD1 3.49Å; N488-V490 PolarHBondContact O-N 2.85Å; N488-T507 WeakPolarHBondContact O-CG2 3.4Å; N488-T558 HydrophobicContact CB-CG2 4.5Å; N488-T558 VanDerWaalsContact ND2-CG2 3.33Å; N488-T558 WeakPolarHBondContact ND2-CG2 3.24Å |
| 489 | V | 93.9 | Very high | 91.3 | Very high | 11 Ų | 11 | 52.8 Ų | 52.8 | 7% | 0.067 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 122.5 | 168.3 | -175.8 | 0 | 0 | 0 | 0 | 108.1 | T308 F487 E491 R503 F511 | T308-V489 HydrophobicContact CG2-CG2 4.24Å; T308-V489 PolarHBondContact O-N 2.98Å; F487-V489 HydrophobicContact CE2-CG2 4.41Å; V489-E491 HydrophobicContact CG1-CG 4.38Å; V489-R503 HydrophobicContact CG1-CG 3.98Å; V489-F511 HydrophobicContact CG2-CB 4.09Å; V489-F511 HydrophobicContact CG2-CD2 3.59Å; V489-F511 HydrophobicContact CG2-CE2 4.41Å; V489-F511 HydrophobicContact CG2-CG 4.12Å |
| 490 | V | 93 | Very high | 91 | Very high | 65 Ų | 65 | 53.7 Ų | 53.7 | 39% | 0.394 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -87.9 | 131.4 | 178.6 | 177.6 | 0 | 0 | 0 | 0 | 107.5 | N488 F492 R503 G504 T507 | N488-V490 PolarHBondContact O-N 2.85Å; V490-F492 HydrophobicContact CG1-CD2 4.37Å; V490-F492 HydrophobicContact CG1-CE2 3.73Å; V490-F492 HydrophobicContact CG1-CZ 3.94Å; V490-R503 CarbonylContact O-C 3.48Å; V490-R503 WeakPolarHBondContact O-CA 3.34Å; V490-G504 PolarHBondContact O-N 2.93Å; V490-T507 HydrophobicContact CG2-CG2 4.35Å; V490-T507 PolarHBondContact N-OG1 3.43Å; V490-T507 VanDerWaalsContact N-OG1 3.16Å |
| 491 | E | 90.9 | Very high | 90.7 | Very high | 131 Ų | 131 | 52 Ų | 52 | 61% | 0.612 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127 | 136.3 | 178.4 | -65.7 | -174.7 | 158.2 | 0 | 0 | 109.7 | V489 R503 | V489-E491 HydrophobicContact CG1-CG 4.38Å; E491-R503 HydrophobicContact CG-CG 4.01Å |
| 492 | F | 89.4 | Confident | 90.5 | Very high | 69 Ų | 69 | 48 Ų | 48 | 30% | 0.303 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.8 | 173.2 | -59.1 | -93.2 | 0 | 0 | 0 | 108.2 | V490 G501 R502 | V490-F492 HydrophobicContact CG1-CD2 4.37Å; V490-F492 HydrophobicContact CG1-CE2 3.73Å; V490-F492 HydrophobicContact CG1-CZ 3.94Å; F492-G501 CarbonylContact O-C 3.59Å; F492-G501 WeakPolarHBondContact O-CA 3.3Å; F492-R502 HydrophobicContact CB-CG 4.08Å; F492-R502 HydrophobicContact CD2-CG 4.06Å; F492-R502 HydrophobicContact CG-CG 4.42Å; F492-R502 PolarHBondContact N-O 3.01Å; F492-R502 PolarHBondContact O-N 2.82Å |
| 493 | P | 88.6 | Confident | 90.5 | Very high | 105 Ų | 105 | 49.4 Ų | 49.4 | 68% | 0.682 | 30% | 0.303 | S | S | * | . | trans | -65.8 | 162.3 | -179.8 | 28.4 | -34.8 | 0 | 0 | 0 | 111.4 | R498 | P493-R498 PolarHBondContact O-NH2 3.3Š| ||
| 494 | A | 89.8 | Confident | 90.3 | Very high | 58 Ų | 58 | 49.8 Ų | 49.8 | 48% | 0.479 | 31% | 0.308 | S | S | . | . | trans | -60.4 | 146 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | R498 P499 | A494-R498 CarbonylContact C-O 3.56Å; A494-R498 WeakPolarHBondContact CA-O 3.35Å; A494-P499 WeakPolarHBondContact CB-O 3.45Å | ||
| 495 | C | 87.1 | Confident | 90.2 | Very high | 38 Ų | 38 | 49 Ų | 49 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -141 | 174.4 | 173.5 | 68.3 | 0 | 0 | 0 | 0 | 109.9 | G497 R498 | C495-G497 VanDerWaalsContact C-N 3.26Å; C495-G497 PolarHBondContact O-N 2.85Å; C495-R498 PolarHBondContact N-O 3.13Å; C495-R498 CarbonylContact O-C 3.59Å; C495-R498 PolarHBondContact O-N 3.12Å; C495-R498 PolarHBondContact SG-N 3.3Å; C495-R498 VanDerWaalsContact SG-N 3.39Å |
| 496 | S | 82.1 | Confident | 90.2 | Very high | 102 Ų | 102 | 49.1 Ų | 49.1 | 71% | 0.713 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -36.6 | -178.7 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | ||
| 497 | G | 79.6 | Confident | 90.2 | Very high | 15 Ų | 15 | 49.4 Ų | 49.4 | 16% | 0.155 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -9.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | C495 | C495-G497 VanDerWaalsContact C-N 3.26Å; C495-G497 PolarHBondContact O-N 2.85Å |
| 498 | R | 87.8 | Confident | 90.2 | Very high | 18 Ų | 18 | 49.2 Ų | 49.2 | 7% | 0.068 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -141.4 | 87.7 | 176.9 | -167.1 | -172.8 | 55.1 | -127.2 | -12.3 | 109.2 | L439 E443 P493 A494 C495 A500 | L439-R498 HydrophobicContact CD2-CB 4.14Å; E443-R498 HydrophobicContact CG-CB 4.34Å; E443-R498 HydrophobicContact CG-CG 4.24Å; P493-R498 PolarHBondContact O-NH2 3.3Å; A494-R498 CarbonylContact C-O 3.56Å; A494-R498 WeakPolarHBondContact CA-O 3.35Å; C495-R498 PolarHBondContact N-O 3.13Å; C495-R498 CarbonylContact O-C 3.59Å; C495-R498 PolarHBondContact O-N 3.12Å; C495-R498 PolarHBondContact SG-N 3.3Å; C495-R498 VanDerWaalsContact SG-N 3.39Å; R498-A500 VanDerWaalsContact CG-O 3.3Å; R498-A500 WeakPolarHBondContact CG-O 3.46Å; R498-A500 PolarHBondContact NE-O 2.65Å; R498-A500 PolarHBondContact O-N 3Å; R498-A500 VanDerWaalsContact O-N 3.13Å |
| 499 | P | 82.4 | Confident | 90.2 | Very high | 119 Ų | 119 | 49.7 Ų | 49.7 | 77% | 0.773 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -62.9 | -22.7 | -171.1 | -25.5 | 34.7 | 0 | 0 | 0 | 114.7 | A494 | A494-P499 WeakPolarHBondContact CB-O 3.45Š|
| 500 | A | 86.4 | Confident | 90.3 | Very high | 68 Ų | 68 | 49.2 Ų | 49.2 | 56% | 0.562 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -102.6 | 144.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | R498 | R498-A500 VanDerWaalsContact CG-O 3.3Å; R498-A500 WeakPolarHBondContact CG-O 3.46Å; R498-A500 PolarHBondContact NE-O 2.65Å; R498-A500 PolarHBondContact O-N 3Å; R498-A500 VanDerWaalsContact O-N 3.13Å |
| 501 | G | 87.9 | Confident | 90.3 | Very high | 49 Ų | 49 | 48.4 Ų | 48.4 | 51% | 0.505 | 30% | 0.295 | S | S | . | . | trans | -62.2 | 155.6 | 166 | 0 | 0 | 0 | 0 | 0 | 110.8 | F492 | F492-G501 CarbonylContact O-C 3.59Å; F492-G501 WeakPolarHBondContact O-CA 3.3Å | ||
| 502 | R | 90.8 | Very high | 90.3 | Very high | 31 Ų | 31 | 45.5 Ų | 45.5 | 12% | 0.117 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 150.3 | 173.9 | 75.3 | 177.4 | -174.6 | -157.9 | -0.3 | 111.1 | S438 E443 F492 | S438-R502 PolarHBondContact O-NH2 3.04Å; E443-R502 IonicContact OE1-NH1 3.86Å; E443-R502 PolarHBondContact OE1-NH1 3.06Å; E443-R502 IonicContact OE2-NH1 3.55Å; F492-R502 HydrophobicContact CB-CG 4.08Å; F492-R502 HydrophobicContact CD2-CG 4.06Å; F492-R502 HydrophobicContact CG-CG 4.42Å; F492-R502 PolarHBondContact N-O 3.01Å; F492-R502 PolarHBondContact O-N 2.82Å |
| 503 | R | 93.2 | Very high | 90.4 | Very high | 77 Ų | 77 | 44.6 Ų | 44.6 | 29% | 0.291 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 154.9 | 169.6 | -74.3 | 171.5 | -62.4 | 172 | 7.7 | 111.1 | R394 V489 V490 E491 F511 D512 | R394-R503 PolarHBondContact NH1-O 3.43Å; V489-R503 HydrophobicContact CG1-CG 3.98Å; V490-R503 CarbonylContact O-C 3.48Å; V490-R503 WeakPolarHBondContact O-CA 3.34Å; E491-R503 HydrophobicContact CG-CG 4.01Å; R503-F511 VanDerWaalsContact NH1-CE1 3.28Å; R503-D512 IonicContact CZ-OD1 3.88Å; R503-D512 IonicContact CZ-OD2 3.93Å; R503-D512 IonicContact NH1-OD1 2.82Å; R503-D512 PolarHBondContact NH1-OD1 3.18Å; R503-D512 IonicContact NH1-OD2 3.3Å; R503-D512 IonicContact NH2-OD1 3.22Å; R503-D512 PolarHBondContact NH2-OD1 3.27Å; R503-D512 IonicContact NH2-OD2 2.89Å; R503-D512 PolarHBondContact NH2-OD2 3.41Å |
| 504 | G | 93.5 | Very high | 90.4 | Very high | 9 Ų | 9 | 39.9 Ų | 39.9 | 9% | 0.093 | 25% | 0.251 | C | S | . | . | trans | -56.1 | 148.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V490 G508 | V490-G504 PolarHBondContact O-N 2.93Å; G504-G508 VanDerWaalsContact O-CA 3.29Å; G504-G508 WeakPolarHBondContact O-CA 3.15Å; G504-G508 PolarHBondContact O-N 3.42Å | ||
| 505 | L | 95.1 | Very high | 90 | Very high | 11 Ų | 11 | 38.9 Ų | 38.9 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.4 | -59.3 | -169.1 | -175.8 | 61.3 | 0 | 0 | 0 | 111.6 | N336 V337 R394 L465 W509 | N336-L505 VanDerWaalsContact OD1-CD2 3.3Å; N336-L505 WeakPolarHBondContact OD1-CD2 3.44Å; V337-L505 HydrophobicContact CG2-CD1 3.85Å; R394-L505 VanDerWaalsContact NH1-CA 3.34Å; L465-L505 HydrophobicContact CD1-CD2 3.83Å; L505-W509 WeakPolarHBondContact O-CB 3.49Å; L505-W509 PolarHBondContact O-N 3.32Å |
| 506 | C | 96.3 | Very high | 89.2 | Confident | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.027 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.7 | -45.7 | -177.7 | -174.4 | 0 | 0 | 0 | 0 | 113.4 | C334 R468 Y470 W509 L510 | C334-C506 HydrophobicContact CB-CB 3.87Å; C334-C506 VanDerWaalsContact SG-CA 3.52Å; R468-C506 HydrophobicContact CB-CB 3.96Å; R468-C506 HydrophobicContact CG-CB 3.57Å; Y470-C506 PolarHBondContact OH-SG 3.07Å; C506-W509 PolarHBondContact O-N 3.04Å; C506-L510 WeakPolarHBondContact O-CB 3.35Å; C506-L510 VanDerWaalsContact O-CG 3.28Å; C506-L510 WeakPolarHBondContact O-CG 3.29Å; C506-L510 PolarHBondContact O-N 2.83Å |
| 507 | T | 96.3 | Very high | 88 | Confident | 14 Ų | 14 | 37.8 Ų | 37.8 | 9% | 0.086 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.6 | -33.5 | -177.7 | 54 | 0 | 0 | 0 | 0 | 112.5 | Y470 F487 N488 V490 F511 | Y470-T507 WeakPolarHBondContact OH-CG2 3.34Å; F487-T507 HydrophobicContact CB-CG2 4.45Å; F487-T507 HydrophobicContact CD2-CG2 3.64Å; F487-T507 HydrophobicContact CE2-CG2 4.26Å; F487-T507 HydrophobicContact CG-CG2 4.3Å; N488-T507 WeakPolarHBondContact O-CG2 3.4Å; V490-T507 HydrophobicContact CG2-CG2 4.35Å; V490-T507 PolarHBondContact N-OG1 3.43Å; V490-T507 VanDerWaalsContact N-OG1 3.16Å; T507-F511 VanDerWaalsContact O-CB 3.26Å; T507-F511 WeakPolarHBondContact O-CB 3.46Å; T507-F511 PolarHBondContact O-N 2.82Å |
| 508 | G | 95.2 | Very high | 86.8 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.5 | -47.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | G504 L510 F511 D512 | G504-G508 VanDerWaalsContact O-CA 3.29Å; G504-G508 WeakPolarHBondContact O-CA 3.15Å; G504-G508 PolarHBondContact O-N 3.42Å; G508-L510 PolarHBondContact O-N 3.29Å; G508-F511 WeakPolarHBondContact O-CB 3.45Å; G508-F511 PolarHBondContact O-N 3.09Å; G508-D512 VanDerWaalsContact O-CG 3.3Å; G508-D512 PolarHBondContact O-N 3.17Å |
| 509 | W | 95.4 | Very high | 84.6 | Confident | 47 Ų | 47 | 44.7 Ų | 44.7 | 18% | 0.178 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.1 | -47.6 | 176 | 172.4 | 67.8 | 0 | 0 | 0 | 112.5 | V332 C334 P335 L505 C506 F511 D512 L513 I531 | V332-W509 HydrophobicContact CG1-CZ3 3.94Å; C334-W509 HydrophobicContact CB-CD2 4.42Å; C334-W509 HydrophobicContact CB-CE3 3.79Å; C334-W509 HydrophobicContact CB-CZ3 4.15Å; C334-W509 WeakPolarHBondContact SG-CB 3.12Å; C334-W509 VanDerWaalsContact SG-CE3 3.52Å; P335-W509 HydrophobicContact CG-CD2 4.5Å; P335-W509 HydrophobicContact CG-CZ2 4.28Å; L505-W509 WeakPolarHBondContact O-CB 3.49Å; L505-W509 PolarHBondContact O-N 3.32Å; C506-W509 PolarHBondContact O-N 3.04Å; W509-F511 VanDerWaalsContact C-N 3.31Å; W509-F511 PolarHBondContact O-N 3.29Å; W509-D512 PolarHBondContact O-N 3.26Å; W509-L513 HydrophobicContact CZ2-CD2 4.39Å; W509-L513 VanDerWaalsContact O-CB 3.32Å; W509-L513 WeakPolarHBondContact O-CB 3.23Å; W509-L513 PolarHBondContact O-N 3.17Å; W509-I531 HydrophobicContact CH2-CB 3.89Å; W509-I531 HydrophobicContact CH2-CG2 3.47Å; W509-I531 VanDerWaalsContact CH2-CG2 3.47Å; W509-I531 HydrophobicContact CZ2-CG2 4.19Å; W509-I531 HydrophobicContact CZ3-CB 4.39Å; W509-I531 HydrophobicContact CZ3-CG2 3.97Å |
| 510 | L | 95.6 | Very high | 82.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.3 | -41 | 176 | -73.4 | 173.4 | 0 | 0 | 0 | 111.7 | L312 V332 Y470 F485 F487 C506 G508 L513 V514 I531 | L312-L510 HydrophobicContact CD1-CB 4.32Å; L312-L510 HydrophobicContact CD1-CD1 4.5Å; L312-L510 HydrophobicContact CD1-CD2 4.05Å; V332-L510 HydrophobicContact CG1-CD2 4.42Å; Y470-L510 HydrophobicContact CE2-CD1 4.35Å; F485-L510 HydrophobicContact CE2-CD1 3.93Å; F485-L510 HydrophobicContact CZ-CD1 4.03Å; F487-L510 HydrophobicContact CD1-CD1 4.35Å; F487-L510 HydrophobicContact CE1-CB 4.18Å; F487-L510 HydrophobicContact CE1-CD1 3.83Å; F487-L510 HydrophobicContact CE2-CB 4.27Å; F487-L510 HydrophobicContact CZ-CB 3.59Å; F487-L510 HydrophobicContact CZ-CD1 3.98Å; F487-L510 HydrophobicContact CZ-CG 4.46Å; C506-L510 WeakPolarHBondContact O-CB 3.35Å; C506-L510 VanDerWaalsContact O-CG 3.28Å; C506-L510 WeakPolarHBondContact O-CG 3.29Å; C506-L510 PolarHBondContact O-N 2.83Å; G508-L510 PolarHBondContact O-N 3.29Å; L510-L513 PolarHBondContact O-N 2.83Å; L510-V514 WeakPolarHBondContact O-CG2 3.37Å; L510-V514 PolarHBondContact O-N 2.97Å; L510-I531 HydrophobicContact CD2-CD1 4.26Å; L510-I531 HydrophobicContact CD2-CG2 4.13Å |
| 511 | F | 93.2 | Very high | 80.5 | Confident | 48 Ų | 48 | 46.8 Ų | 46.8 | 21% | 0.211 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 175.4 | 177.5 | -81.8 | 0 | 0 | 0 | 111.2 | T308 L310 V489 R503 T507 G508 W509 L513 V514 S515 | T308-F511 HydrophobicContact CG2-CE2 4.11Å; L310-F511 HydrophobicContact CD1-CB 4.1Å; L310-F511 HydrophobicContact CD1-CD2 3.6Å; L310-F511 HydrophobicContact CD1-CE2 4.49Å; L310-F511 HydrophobicContact CD1-CG 4.25Å; L310-F511 HydrophobicContact CG-CD2 4.38Å; V489-F511 HydrophobicContact CG2-CB 4.09Å; V489-F511 HydrophobicContact CG2-CD2 3.59Å; V489-F511 HydrophobicContact CG2-CE2 4.41Å; V489-F511 HydrophobicContact CG2-CG 4.12Å; R503-F511 VanDerWaalsContact NH1-CE1 3.28Å; T507-F511 VanDerWaalsContact O-CB 3.26Å; T507-F511 WeakPolarHBondContact O-CB 3.46Å; T507-F511 PolarHBondContact O-N 2.82Å; G508-F511 WeakPolarHBondContact O-CB 3.45Å; G508-F511 PolarHBondContact O-N 3.09Å; W509-F511 VanDerWaalsContact C-N 3.31Å; W509-F511 PolarHBondContact O-N 3.29Å; F511-L513 VanDerWaalsContact C-N 3.32Å; F511-L513 PolarHBondContact O-N 3.13Å; F511-V514 CarbonylContact O-C 3.57Å; F511-V514 PolarHBondContact O-N 2.83Å; F511-S515 WeakPolarHBondContact CD1-OG 3.22Å; F511-S515 WeakPolarHBondContact CE1-OG 3.25Å; F511-S515 WeakPolarHBondContact CZ-OG 3.37Å; F511-S515 WeakPolarHBondContact O-CA 3.14Å; F511-S515 VanDerWaalsContact O-CB 3.29Å; F511-S515 WeakPolarHBondContact O-CB 3.42Å; F511-S515 PolarHBondContact O-N 3.42Å; F511-S515 PolarHBondContact O-OG 2.82Å |
| 512 | D | 91.1 | Very high | 78.1 | Confident | 71 Ų | 71 | 54.2 Ų | 54.2 | 38% | 0.38 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.5 | -38.6 | -180 | -69.8 | -27 | 0 | 0 | 0 | 112.1 | R503 G508 W509 V514 S515 P516 | R503-D512 IonicContact CZ-OD1 3.88Å; R503-D512 IonicContact CZ-OD2 3.93Å; R503-D512 IonicContact NH1-OD1 2.82Å; R503-D512 PolarHBondContact NH1-OD1 3.18Å; R503-D512 IonicContact NH1-OD2 3.3Å; R503-D512 IonicContact NH2-OD1 3.22Å; R503-D512 PolarHBondContact NH2-OD1 3.27Å; R503-D512 IonicContact NH2-OD2 2.89Å; R503-D512 PolarHBondContact NH2-OD2 3.41Å; G508-D512 VanDerWaalsContact O-CG 3.3Å; G508-D512 PolarHBondContact O-N 3.17Å; W509-D512 PolarHBondContact O-N 3.26Å; D512-V514 PolarHBondContact O-N 3.32Å; D512-S515 PolarHBondContact O-N 3.29Å; D512-P516 WeakPolarHBondContact O-CD 3.22Å |
| 513 | L | 90.8 | Very high | 75.8 | Confident | 50 Ų | 50 | 62 Ų | 62 | 26% | 0.262 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.3 | -34.8 | 177.5 | -167.6 | 70.6 | 0 | 0 | 0 | 112.3 | I294 W509 L510 F511 P529 I531 | I294-L513 HydrophobicContact CD1-CD2 3.45Å; I294-L513 VanDerWaalsContact CD1-CD2 3.45Å; I294-L513 HydrophobicContact CD1-CG 4.3Å; W509-L513 HydrophobicContact CZ2-CD2 4.39Å; W509-L513 VanDerWaalsContact O-CB 3.32Å; W509-L513 WeakPolarHBondContact O-CB 3.23Å; W509-L513 PolarHBondContact O-N 3.17Å; L510-L513 PolarHBondContact O-N 2.83Å; F511-L513 VanDerWaalsContact C-N 3.32Å; F511-L513 PolarHBondContact O-N 3.13Å; L513-P529 HydrophobicContact CD1-CB 3.62Å; L513-P529 HydrophobicContact CD2-CB 3.93Å; L513-P529 HydrophobicContact CG-CB 3.55Å; L513-P529 HydrophobicContact CG-CG 4.09Å; L513-I531 HydrophobicContact CD2-CG2 3.49Å; L513-I531 VanDerWaalsContact CD2-CG2 3.49Å |
| 514 | V | 88.2 | Confident | 73.3 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.03 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -104.2 | -8 | -178 | -52.9 | 0 | 0 | 0 | 0 | 113.9 | I294 A297 L310 L312 L510 F511 D512 G517 L518 | I294-V514 HydrophobicContact CD1-CG1 3.94Å; I294-V514 HydrophobicContact CG2-CG1 4.27Å; A297-V514 HydrophobicContact CB-CB 3.71Å; A297-V514 HydrophobicContact CB-CG1 3.9Å; A297-V514 HydrophobicContact CB-CG2 4.04Å; L310-V514 HydrophobicContact CD1-CG2 3.97Å; L312-V514 HydrophobicContact CD1-CG1 4.46Å; L312-V514 HydrophobicContact CD2-CB 4.47Å; L312-V514 HydrophobicContact CD2-CG1 3.84Å; L312-V514 HydrophobicContact CD2-CG2 4.24Å; L510-V514 WeakPolarHBondContact O-CG2 3.37Å; L510-V514 PolarHBondContact O-N 2.97Å; F511-V514 CarbonylContact O-C 3.57Å; F511-V514 PolarHBondContact O-N 2.83Å; D512-V514 PolarHBondContact O-N 3.32Å; V514-G517 CarbonylContact O-C 3.34Å; V514-G517 VanDerWaalsContact O-C 3.32Å; V514-G517 WeakPolarHBondContact O-CA 3.16Å; V514-G517 PolarHBondContact O-N 3Å; V514-L518 HydrophobicContact CG2-CD1 4.21Å; V514-L518 HydrophobicContact CG2-CG 4.46Å; V514-L518 PolarHBondContact O-N 2.85Å |
| 515 | S | 82.6 | Confident | 71.1 | Confident | 37 Ų | 37 | 70.8 Ų | 70.8 | 26% | 0.259 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -42.1 | -179 | -73.8 | 0 | 0 | 0 | 0 | 114.3 | F511 D512 G517 L518 | F511-S515 WeakPolarHBondContact CD1-OG 3.22Å; F511-S515 WeakPolarHBondContact CE1-OG 3.25Å; F511-S515 WeakPolarHBondContact CZ-OG 3.37Å; F511-S515 WeakPolarHBondContact O-CA 3.14Å; F511-S515 VanDerWaalsContact O-CB 3.29Å; F511-S515 WeakPolarHBondContact O-CB 3.42Å; F511-S515 PolarHBondContact O-N 3.42Å; F511-S515 PolarHBondContact O-OG 2.82Å; D512-S515 PolarHBondContact O-N 3.29Å; S515-G517 PolarHBondContact O-N 3.34Å; S515-L518 PolarHBondContact O-N 3.31Å |
| 516 | P | 69.5 | Low | 69.3 | Low | 83 Ų | 83 | 76.6 Ų | 76.6 | 54% | 0.539 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -32 | 168 | -23.1 | 33.4 | 0 | 0 | 0 | 111.5 | D512 F520 | D512-P516 WeakPolarHBondContact O-CD 3.22Å; P516-F520 VanDerWaalsContact C-CE2 3.47Å; P516-F520 HydrophobicContact CB-CE2 4.41Å; P516-F520 HydrophobicContact CB-CZ 4.36Å; P516-F520 WeakPolarHBondContact O-CE2 3.39Å; P516-F520 VanDerWaalsContact O-CZ 3.28Å; P516-F520 WeakPolarHBondContact O-CZ 3.18Å |
| 517 | G | 57 | Low | 67.8 | Low | 34 Ų | 34 | 81.1 Ų | 81.1 | 35% | 0.351 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -79.3 | -25 | -178.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | V514 S515 V519 F520 | V514-G517 CarbonylContact O-C 3.34Å; V514-G517 VanDerWaalsContact O-C 3.32Å; V514-G517 WeakPolarHBondContact O-CA 3.16Å; V514-G517 PolarHBondContact O-N 3Å; S515-G517 PolarHBondContact O-N 3.34Å; G517-V519 PolarHBondContact O-N 2.97Å; G517-V519 VanDerWaalsContact O-N 3.11Å; G517-F520 PolarHBondContact O-N 3.5Å |
| 518 | L | 54.9 | Low | 66.8 | Low | 59 Ų | 59 | 84.7 Ų | 84.7 | 31% | 0.309 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -69.2 | -6.6 | 177.9 | -75.1 | 164.9 | 0 | 0 | 0 | 112 | Q299 L310 V514 S515 | Q299-L518 HydrophobicContact CB-CD2 4.32Å; L310-L518 HydrophobicContact CD2-CD1 4.04Å; L310-L518 HydrophobicContact CD2-CD2 4.33Å; V514-L518 HydrophobicContact CG2-CD1 4.21Å; V514-L518 HydrophobicContact CG2-CG 4.46Å; V514-L518 PolarHBondContact O-N 2.85Å; S515-L518 PolarHBondContact O-N 3.31Å |
| 519 | V | 41.2 | Very low | 66.5 | Low | 119 Ų | 119 | 86.6 Ų | 86.6 | 72% | 0.721 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -129.5 | 65 | 169.1 | -167 | 0 | 0 | 0 | 0 | 109.5 | G517 | G517-V519 PolarHBondContact O-N 2.97Å; G517-V519 VanDerWaalsContact O-N 3.11Å |
| 520 | F | 43.5 | Very low | 66.3 | Low | 128 Ų | 128 | 89.7 Ų | 89.7 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | trans | -116.7 | 118 | 162.2 | -74.7 | -52.8 | 0 | 0 | 0 | 112.9 | P516 G517 | P516-F520 VanDerWaalsContact C-CE2 3.47Å; P516-F520 HydrophobicContact CB-CE2 4.41Å; P516-F520 HydrophobicContact CB-CZ 4.36Å; P516-F520 WeakPolarHBondContact O-CE2 3.39Å; P516-F520 VanDerWaalsContact O-CZ 3.28Å; P516-F520 WeakPolarHBondContact O-CZ 3.18Å; G517-F520 PolarHBondContact O-N 3.5Å | ||
| 521 | P | 38.7 | Very low | 66.3 | Low | 104 Ų | 104 | 89.8 Ų | 89.8 | 68% | 0.675 | 49% | 0.492 | S | S | * | . | trans | -67.8 | 158.9 | 157.1 | 30.5 | -28.8 | 0 | 0 | 0 | 109 | K523 | P521-K523 PolarHBondContact O-N 3.22Š| ||
| 522 | E | 39.1 | Very low | 66.3 | Low | 204 Ų | 204 | 89.4 Ų | 89.4 | 95% | 0.953 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -52.3 | 19 | -170.6 | -62.6 | 176.7 | 138.1 | 0 | 0 | 118.8 | ||
| 523 | K | 41.7 | Very low | 66.5 | Low | 194 Ų | 194 | 86 Ų | 86 | 84% | 0.843 | 47% | 0.473 | S | S | * | . | trans | -145.3 | 89.1 | -175.1 | -70.1 | -175.8 | 178.3 | 177.1 | 0 | 113.1 | P521 | P521-K523 PolarHBondContact O-N 3.22Š| ||
| 524 | A | 41.5 | Very low | 66.6 | Low | 63 Ų | 63 | 84.5 Ų | 84.5 | 52% | 0.521 | 47% | 0.467 | S | S | . | . | trans | -162.6 | 121.9 | 147.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | L526 | A524-L526 HydrophobicContact CB-CD1 3.94Å; A524-L526 PolarHBondContact O-N 3.32Å | ||
| 525 | E | 46 | Very low | 66.7 | Low | 209 Ų | 209 | 86.4 Ų | 86.4 | 98% | 0.977 | 48% | 0.477 | S | S | * | . | trans | -69.8 | 43.4 | 171.8 | -63.7 | 176.4 | 151.9 | 0 | 0 | 112.3 | ||||
| 526 | L | 56.8 | Low | 66.9 | Low | 133 Ų | 133 | 89.1 Ų | 89.1 | 70% | 0.696 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 133.1 | 169.7 | -94.9 | 96.9 | 0 | 0 | 0 | 109.4 | A524 L528 | A524-L526 HydrophobicContact CB-CD1 3.94Å; A524-L526 PolarHBondContact O-N 3.32Å; L526-L528 PolarHBondContact O-N 3.35Å |
| 527 | A | 65.9 | Low | 67.5 | Low | 98 Ų | 98 | 89.6 Ų | 89.6 | 81% | 0.81 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 128.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 528 | L | 74.6 | Confident | 68.3 | Low | 90 Ų | 90 | 89.6 Ų | 89.6 | 47% | 0.471 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 137.9 | 179.7 | -66.6 | 172 | 0 | 0 | 0 | 110.1 | P293 L526 K530 | P293-L528 HydrophobicContact CB-CB 3.97Å; P293-L528 HydrophobicContact CB-CD1 4.45Å; L526-L528 PolarHBondContact O-N 3.35Å; L528-K530 PolarHBondContact O-N 3.34Å |
| 529 | P | 88.8 | Confident | 69 | Low | 43 Ų | 43 | 92.1 Ų | 92.1 | 28% | 0.279 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 141.1 | 178 | 26.8 | -31.9 | 0 | 0 | 0 | 109.7 | P293 I294 L513 | P293-P529 WeakPolarHBondContact CA-O 3.33Å; I294-P529 HydrophobicContact CB-CG 4.29Å; I294-P529 HydrophobicContact CD1-CG 4.29Å; I294-P529 PolarHBondContact N-O 3.03Å; L513-P529 HydrophobicContact CD1-CB 3.62Å; L513-P529 HydrophobicContact CD2-CB 3.93Å; L513-P529 HydrophobicContact CG-CB 3.55Å; L513-P529 HydrophobicContact CG-CG 4.09Å |
| 530 | K | 91.6 | Very high | 70.9 | Confident | 112 Ų | 112 | 88.8 Ų | 88.8 | 49% | 0.487 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 149.2 | -178.1 | -61.7 | -176.8 | -179.6 | 179 | 0 | 111.6 | E291 V292 P293 L528 | E291-K530 VanDerWaalsContact CD-CD 3.42Å; E291-K530 HydrophobicContact CG-CB 3.86Å; E291-K530 HydrophobicContact CG-CD 3.8Å; E291-K530 HydrophobicContact CG-CG 4.47Å; E291-K530 VanDerWaalsContact OE2-CD 3.23Å; E291-K530 WeakPolarHBondContact OE2-CD 3.42Å; E291-K530 IonicContact OE2-NZ 2.74Å; E291-K530 PolarHBondContact OE2-NZ 2.62Å; V292-K530 CarbonylContact O-C 3.6Å; V292-K530 WeakPolarHBondContact O-CA 3.49Å; P293-K530 HydrophobicContact CB-CG 4.12Å; L528-K530 PolarHBondContact O-N 3.34Å |
| 531 | I | 94.8 | Very high | 73.1 | Confident | 1 Ų | 1 | 82.8 Ų | 82.8 | 1% | 0.005 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 155.9 | 175.2 | 65.5 | 170.5 | 0 | 0 | 0 | 110.4 | E291 V292 I294 L314 V332 W509 L510 L513 V533 | E291-I531 CarbonylContact C-O 3.44Å; E291-I531 WeakPolarHBondContact CA-O 3.29Å; V292-I531 HydrophobicContact CG2-CG1 3.93Å; V292-I531 PolarHBondContact N-O 3.15Å; V292-I531 PolarHBondContact O-N 3.02Å; I294-I531 HydrophobicContact CD1-CG2 3.87Å; I294-I531 HydrophobicContact CG1-CG2 4.29Å; L314-I531 HydrophobicContact CD1-CD1 3.88Å; L314-I531 HydrophobicContact CD1-CG1 4.49Å; L314-I531 HydrophobicContact CD2-CD1 3.58Å; L314-I531 HydrophobicContact CD2-CG1 4.03Å; L314-I531 HydrophobicContact CG-CD1 4.39Å; V332-I531 HydrophobicContact CG1-CD1 4.3Å; V332-I531 HydrophobicContact CG2-CD1 4.45Å; W509-I531 HydrophobicContact CH2-CB 3.89Å; W509-I531 HydrophobicContact CH2-CG2 3.47Å; W509-I531 VanDerWaalsContact CH2-CG2 3.47Å; W509-I531 HydrophobicContact CZ2-CG2 4.19Å; W509-I531 HydrophobicContact CZ3-CB 4.39Å; W509-I531 HydrophobicContact CZ3-CG2 3.97Å; L510-I531 HydrophobicContact CD2-CD1 4.26Å; L510-I531 HydrophobicContact CD2-CG2 4.13Å; L513-I531 HydrophobicContact CD2-CG2 3.49Å; L513-I531 VanDerWaalsContact CD2-CG2 3.49Å; I531-V533 HydrophobicContact CD1-CG1 3.96Å; I531-V533 HydrophobicContact CG1-CG1 4.08Å |
| 532 | H | 94.6 | Very high | 75.7 | Confident | 41 Ų | 41 | 80.1 Ų | 80.1 | 19% | 0.19 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 131 | 174.3 | -62.8 | -66.6 | 0 | 0 | 0 | 110.4 | Y290 E291 F333 W389 | Y290-H532 CarbonylContact O-C 3.59Å; Y290-H532 VanDerWaalsContact O-CA 3.3Å; Y290-H532 WeakPolarHBondContact O-CA 3.36Å; E291-H532 IonicContact OE1-CE1 3.69Å; F333-H532 HydrophobicContact CB-CB 4Å; F333-H532 HydrophobicContact CD2-CB 4.21Å; F333-H532 HydrophobicContact CG-CB 4.43Å; F333-H532 PolarHBondContact N-O 3.4Å; W389-H532 AromaticContact CH2-CD2 3.9Å |
| 533 | V | 94.9 | Very high | 78.2 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 156.4 | 178.5 | -59.3 | 0 | 0 | 0 | 0 | 112.8 | Y290 V292 L314 M322 F330 D331 V332 I531 | Y290-V533 PolarHBondContact N-O 3.48Å; Y290-V533 PolarHBondContact O-N 3.24Å; V292-V533 HydrophobicContact CG1-CG2 4.03Å; V292-V533 HydrophobicContact CG2-CB 4.46Å; V292-V533 HydrophobicContact CG2-CG1 3.98Å; V292-V533 HydrophobicContact CG2-CG2 3.64Å; L314-V533 HydrophobicContact CD1-CG1 3.96Å; M322-V533 HydrophobicContact CE-CG2 3.7Å; M322-V533 HydrophobicContact SD-CG2 4.35Å; F330-V533 HydrophobicContact CD2-CB 4.18Å; F330-V533 HydrophobicContact CD2-CG1 4.02Å; F330-V533 HydrophobicContact CE2-CG1 4.16Å; D331-V533 CarbonylContact O-C 3.57Å; D331-V533 WeakPolarHBondContact O-CA 3.37Å; V332-V533 HydrophobicContact CG2-CG1 4.2Å; I531-V533 HydrophobicContact CD1-CG1 3.96Å; I531-V533 HydrophobicContact CG1-CG1 4.08Å |
| 534 | S | 92.7 | Very high | 80.6 | Confident | 18 Ų | 18 | 63.3 Ų | 63.3 | 13% | 0.126 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 139.8 | 166.2 | 61.7 | 0 | 0 | 0 | 0 | 111.1 | A288 F330 D331 F333 | A288-S534 WeakPolarHBondContact O-CB 3.22Å; F330-S534 CarbonylContact C-O 3.56Å; F330-S534 WeakPolarHBondContact CA-O 2.87Å; F330-S534 WeakPolarHBondContact CB-O 3.28Å; D331-S534 WeakPolarHBondContact CB-OG 3.21Å; D331-S534 PolarHBondContact N-O 2.99Å; D331-S534 PolarHBondContact O-N 2.92Å; F333-S534 WeakPolarHBondContact CE2-OG 3.38Å |
| 535 | L | 89.8 | Confident | 82.9 | Confident | 45 Ų | 45 | 66.5 Ų | 66.5 | 24% | 0.236 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 140.9 | -179.8 | -67.9 | 177.7 | 0 | 0 | 0 | 111.9 | M322 T323 F330 | M322-L535 HydrophobicContact CB-CD1 4.4Å; M322-L535 HydrophobicContact CE-CD2 3.49Å; M322-L535 VanDerWaalsContact CE-CD2 3.49Å; M322-L535 HydrophobicContact CE-CG 3.93Å; M322-L535 HydrophobicContact CG-CD1 3.6Å; M322-L535 HydrophobicContact CG-CD2 3.98Å; M322-L535 HydrophobicContact CG-CG 3.78Å; T323-L535 WeakPolarHBondContact O-CD1 3.09Å; F330-L535 HydrophobicContact CB-CD2 4.4Å |
| 536 | R | 86.4 | Confident | 85.1 | Confident | 93 Ų | 93 | 60.1 Ų | 60.1 | 35% | 0.351 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 86.9 | 166.4 | -63.4 | -173.4 | 94 | 102.3 | 6.5 | 109 | S329 D331 N538 | S329-R536 PolarHBondContact N-O 2.89Å; S329-R536 CarbonylContact O-C 3.35Å; S329-R536 WeakPolarHBondContact O-CA 3.35Å; S329-R536 WeakPolarHBondContact O-CB 3.2Å; S329-R536 PolarHBondContact O-N 3.15Å; D331-R536 VanDerWaalsContact CG-CD 3.49Å; D331-R536 WeakPolarHBondContact OD1-CD 3.4Å; D331-R536 IonicContact OD1-CZ 3.1Å; D331-R536 IonicContact OD1-NE 3.86Å; D331-R536 IonicContact OD1-NH1 3.49Å; D331-R536 PolarHBondContact OD1-NH1 2.89Å; D331-R536 VanDerWaalsContact OD2-CD 3.29Å; D331-R536 WeakPolarHBondContact OD2-CD 3.27Å; D331-R536 VanDerWaalsContact OD2-CG 3.29Å; D331-R536 WeakPolarHBondContact OD2-CG 3.37Å; D331-R536 IonicContact OD2-CZ 2.85Å; D331-R536 IonicContact OD2-NE 3.1Å; D331-R536 IonicContact OD2-NH1 3.07Å; D331-R536 PolarHBondContact OD2-NH1 3.13Å; R536-N538 PolarHBondContact O-N 3.42Å |
| 537 | P | 82.5 | Confident | 86.9 | Confident | 94 Ų | 94 | 55.7 Ų | 55.7 | 61% | 0.61 | 33% | 0.329 | S | S | * | . | trans | -59.1 | 125.5 | 179 | -21.8 | 32.8 | 0 | 0 | 0 | 110.9 | D328 | D328-P537 VanDerWaalsContact OD1-CA 3.31Å; D328-P537 WeakPolarHBondContact OD1-CA 3.49Å | ||
| 538 | N | 75.4 | Confident | 88.3 | Confident | 33 Ų | 33 | 53.1 Ų | 53.1 | 18% | 0.176 | 31% | 0.305 | C | S | . | . | trans | -108.6 | 93.5 | 172.1 | -171.6 | -19.9 | 0 | 0 | 0 | 108.8 | G327 D328 R536 S540 F541 R542 | G327-N538 WeakPolarHBondContact O-CB 3.37Å; D328-N538 PolarHBondContact OD1-N 3.13Å; R536-N538 PolarHBondContact O-N 3.42Å; N538-S540 PolarHBondContact O-N 3.47Å; N538-S540 PolarHBondContact OD1-N 2.99Å; N538-S540 VanDerWaalsContact OD1-N 3.13Å; N538-S540 PolarHBondContact OD1-OG 2.93Å; N538-F541 WeakPolarHBondContact ND2-CB 3.47Å; N538-F541 PolarHBondContact OD1-N 3.49Å; N538-R542 PolarHBondContact O-NE 3.27Å | ||
| 539 | C | 68.5 | Low | 89.3 | Confident | 113 Ų | 113 | 50.7 Ų | 50.7 | 76% | 0.764 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -75.3 | -7 | -177.9 | -59.8 | 0 | 0 | 0 | 0 | 113.8 | ||
| 540 | S | 80.2 | Confident | 89.7 | Confident | 49 Ų | 49 | 48.8 Ų | 48.8 | 34% | 0.343 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -101.1 | -35.4 | -178.9 | 58 | 0 | 0 | 0 | 0 | 113 | N538 R542 L708 | N538-S540 PolarHBondContact O-N 3.47Å; N538-S540 PolarHBondContact OD1-N 2.99Å; N538-S540 VanDerWaalsContact OD1-N 3.13Å; N538-S540 PolarHBondContact OD1-OG 2.93Å; S540-R542 PolarHBondContact O-N 3.19Å; S540-R542 VanDerWaalsContact O-N 3.13Å; S540-L708 VanDerWaalsContact O-CD1 3.29Å; S540-L708 WeakPolarHBondContact O-CD1 3.27Å |
| 541 | F | 91.6 | Very high | 90 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -88.5 | 71 | -178.3 | -158.1 | -91 | 0 | 0 | 0 | 111.8 | G327 N538 P562 F563 F566 Y663 C665 L708 D710 | G327-F541 WeakPolarHBondContact CA-O 3.46Å; N538-F541 WeakPolarHBondContact ND2-CB 3.47Å; N538-F541 PolarHBondContact OD1-N 3.49Å; F541-P562 HydrophobicContact CE1-CB 3.96Å; F541-P562 HydrophobicContact CE1-CG 3.96Å; F541-F563 AromaticContact CE1-CE1 3.96Å; F541-F563 HydrophobicContact CE1-CE1 3.96Å; F541-F563 AromaticContact CZ-CE1 3.79Å; F541-F563 HydrophobicContact CZ-CE1 3.79Å; F541-F563 HydrophobicContact CZ-CZ 4Å; F541-F566 HydrophobicContact CD1-CE1 4.4Å; F541-F566 AromaticContact CD1-CZ 3.92Å; F541-F566 HydrophobicContact CD1-CZ 3.92Å; F541-F566 AromaticContact CE1-CZ 4Å; F541-F566 HydrophobicContact CE1-CZ 4Å; F541-Y663 HydrophobicContact CD2-CD1 4.15Å; F541-Y663 HydrophobicContact CE1-CD1 4.23Å; F541-Y663 AromaticContact CE2-CD1 3.85Å; F541-Y663 HydrophobicContact CE2-CD1 3.85Å; F541-Y663 HydrophobicContact CE2-CG 4.47Å; F541-Y663 HydrophobicContact CG-CD1 4.47Å; F541-Y663 AromaticContact CZ-CD1 3.91Å; F541-Y663 HydrophobicContact CZ-CD1 3.91Å; F541-Y663 HydrophobicContact CZ-CG 4.31Å; F541-C665 HydrophobicContact CZ-CB 4.29Å; F541-L708 HydrophobicContact CD2-CB 3.86Å; F541-L708 HydrophobicContact CE2-CB 4.17Å; F541-D710 HydrophobicContact CD1-CB 4.26Å; F541-D710 HydrophobicContact CD2-CB 3.82Å; F541-D710 HydrophobicContact CE1-CB 4.15Å; F541-D710 HydrophobicContact CE2-CB 3.7Å; F541-D710 HydrophobicContact CG-CB 4.1Å; F541-D710 HydrophobicContact CZ-CB 3.86Å |
| 542 | R | 91.4 | Very high | 90.2 | Very high | 48 Ų | 48 | 43.5 Ų | 43.5 | 18% | 0.181 | 26% | 0.257 | C | S | . | . | trans | -125.4 | 154.5 | -177.6 | -62.3 | -61.8 | -162.1 | -162 | 0.2 | 111.9 | H325 P326 D328 N538 S540 Y663 | H325-R542 VanDerWaalsContact CB-CZ 3.49Å; H325-R542 VanDerWaalsContact CB-NH1 3.3Å; H325-R542 PolarHBondContact ND1-NH2 2.91Å; H325-R542 PolarHBondContact O-NH1 2.85Å; P326-R542 VanDerWaalsContact O-CD 3.27Å; P326-R542 WeakPolarHBondContact O-CD 3.43Å; P326-R542 PolarHBondContact O-NH1 2.85Å; D328-R542 VanDerWaalsContact CG-CZ 3.44Å; D328-R542 IonicContact OD1-CZ 2.85Å; D328-R542 IonicContact OD1-NH1 3.3Å; D328-R542 PolarHBondContact OD1-NH1 3.43Å; D328-R542 IonicContact OD1-NH2 2.71Å; D328-R542 PolarHBondContact OD1-NH2 3.38Å; D328-R542 IonicContact OD2-CZ 3.49Å; D328-R542 IonicContact OD2-NH1 3.12Å; D328-R542 PolarHBondContact OD2-NH1 3.41Å; D328-R542 VanDerWaalsContact OD2-NH1 3.11Å; D328-R542 IonicContact OD2-NH2 2.79Å; D328-R542 PolarHBondContact OD2-NH2 3.03Å; N538-R542 PolarHBondContact O-NE 3.27Å; S540-R542 PolarHBondContact O-N 3.19Å; S540-R542 VanDerWaalsContact O-N 3.13Å; R542-Y663 WeakPolarHBondContact O-CE1 3.38Å; R542-Y663 VanDerWaalsContact O-CZ 3.24Å; R542-Y663 PolarHBondContact O-OH 2.95Å | ||
| 543 | P | 91.8 | Very high | 90.4 | Very high | 31 Ų | 31 | 41.5 Ų | 41.5 | 20% | 0.201 | 25% | 0.248 | C | C | . | . | trans | -55.3 | 153.8 | 165.1 | -19.4 | 31.3 | 0 | 0 | 0 | 111.2 | S545 F566 | P543-S545 PolarHBondContact O-N 3.23Å; P543-F566 HydrophobicContact CB-CD2 4.41Å; P543-F566 HydrophobicContact CG-CB 4.35Å; P543-F566 HydrophobicContact CG-CD1 3.77Å; P543-F566 HydrophobicContact CG-CD2 3.87Å; P543-F566 HydrophobicContact CG-CE1 3.92Å; P543-F566 HydrophobicContact CG-CE2 4.03Å; P543-F566 HydrophobicContact CG-CG 3.73Å; P543-F566 HydrophobicContact CG-CZ 4.05Å | ||
| 544 | P | 92.4 | Very high | 90.5 | Very high | 15 Ų | 15 | 41.5 Ų | 41.5 | 10% | 0.097 | 25% | 0.248 | C | C | . | . | trans | -59.4 | 136.8 | 176.4 | -21.1 | 33.5 | 0 | 0 | 0 | 111.1 | D546 L549 F551 Y661 Y663 | P544-D546 PolarHBondContact O-N 2.95Å; P544-L549 HydrophobicContact CB-CB 4.21Å; P544-L549 HydrophobicContact CB-CD1 4.42Å; P544-F551 HydrophobicContact CG-CB 4.44Å; P544-F551 HydrophobicContact CG-CD1 3.99Å; P544-Y661 HydrophobicContact CB-CD2 4.03Å; P544-Y661 HydrophobicContact CB-CE2 3.82Å; P544-Y661 HydrophobicContact CG-CD1 4.41Å; P544-Y661 HydrophobicContact CG-CD2 3.5Å; P544-Y661 HydrophobicContact CG-CE2 3.84Å; P544-Y661 HydrophobicContact CG-CG 3.84Å; P544-Y663 WeakPolarHBondContact CD-OH 3.39Å | ||
| 545 | S | 89.9 | Confident | 90.7 | Very high | 130 Ų | 130 | 40.7 Ų | 40.7 | 91% | 0.909 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -65.9 | -26.2 | 177.2 | -51.6 | 0 | 0 | 0 | 0 | 112.9 | P543 P547 | P543-S545 PolarHBondContact O-N 3.23Å; S545-P547 WeakPolarHBondContact O-CD 3.37Å |
| 546 | D | 93.2 | Very high | 91 | Very high | 74 Ų | 74 | 40 Ų | 40 | 40% | 0.396 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -90.1 | 111.7 | 169.7 | 178.4 | -6.1 | 0 | 0 | 0 | 109.5 | P544 S548 L549 | P544-D546 PolarHBondContact O-N 2.95Å; D546-S548 PolarHBondContact O-N 2.9Å; D546-S548 VanDerWaalsContact O-N 3.16Å; D546-S548 VanDerWaalsContact OD1-CB 3.25Å; D546-S548 WeakPolarHBondContact OD1-CB 3.37Å; D546-S548 PolarHBondContact OD1-N 3.35Å; D546-S548 PolarHBondContact OD1-OG 3.07Å; D546-S548 PolarHBondContact OD2-OG 3.06Å; D546-S548 VanDerWaalsContact OD2-OG 3.11Å; D546-L549 HydrophobicContact CB-CD1 3.97Å; D546-L549 HydrophobicContact CB-CG 4.04Å; D546-L549 PolarHBondContact O-N 2.93Å |
| 547 | P | 93.1 | Very high | 91.3 | Very high | 41 Ų | 41 | 36.6 Ų | 36.6 | 27% | 0.266 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19.4 | -176.6 | 26.5 | -34.4 | 0 | 0 | 0 | 113.4 | S545 L549 R570 F582 G583 | S545-P547 WeakPolarHBondContact O-CD 3.37Å; P547-L549 VanDerWaalsContact C-N 3.27Å; P547-L549 PolarHBondContact O-N 3.37Å; P547-R570 PolarHBondContact O-NH1 2.82Å; P547-R570 PolarHBondContact O-NH2 2.73Å; P547-F582 HydrophobicContact CB-CD1 3.79Å; P547-F582 HydrophobicContact CB-CE1 3.65Å; P547-F582 HydrophobicContact CB-CZ 4.29Å; P547-F582 WeakPolarHBondContact O-CA 3.44Å; P547-G583 PolarHBondContact O-N 2.72Å |
| 548 | S | 95.2 | Very high | 91.9 | Very high | 44 Ų | 44 | 34.2 Ų | 34.2 | 31% | 0.308 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -16.3 | -178.9 | 79.8 | 0 | 0 | 0 | 0 | 113.5 | D546 K581 G583 | D546-S548 PolarHBondContact O-N 2.9Å; D546-S548 VanDerWaalsContact O-N 3.16Å; D546-S548 VanDerWaalsContact OD1-CB 3.25Å; D546-S548 WeakPolarHBondContact OD1-CB 3.37Å; D546-S548 PolarHBondContact OD1-N 3.35Å; D546-S548 PolarHBondContact OD1-OG 3.07Å; D546-S548 PolarHBondContact OD2-OG 3.06Å; D546-S548 VanDerWaalsContact OD2-OG 3.11Å; S548-K581 VanDerWaalsContact CA-O 3.22Å; S548-K581 WeakPolarHBondContact CA-O 3.45Å; S548-K581 WeakPolarHBondContact CB-O 3.22Å; S548-K581 PolarHBondContact N-O 2.87Å; S548-G583 WeakPolarHBondContact O-CA 3.36Å; S548-G583 PolarHBondContact O-N 3.45Å |
| 549 | L | 96.5 | Very high | 92.8 | Very high | 38 Ų | 38 | 32.7 Ų | 32.7 | 20% | 0.199 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -77 | 133.2 | 178.8 | -64.1 | 178.1 | 0 | 0 | 0 | 111 | P544 D546 P547 Y661 | P544-L549 HydrophobicContact CB-CB 4.21Å; P544-L549 HydrophobicContact CB-CD1 4.42Å; D546-L549 HydrophobicContact CB-CD1 3.97Å; D546-L549 HydrophobicContact CB-CG 4.04Å; D546-L549 PolarHBondContact O-N 2.93Å; P547-L549 VanDerWaalsContact C-N 3.27Å; P547-L549 PolarHBondContact O-N 3.37Å; L549-Y661 HydrophobicContact CD1-CE2 3.87Å |
| 550 | P | 97.5 | Very high | 94.2 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | trans | -74.3 | 152.9 | 175.4 | 30.1 | -33.8 | 0 | 0 | 0 | 111.4 | E584 I654 R658 G660 Y661 | P550-E584 CarbonylContact C-O 3.57Å; P550-E584 WeakPolarHBondContact CA-O 3.48Å; P550-E584 HydrophobicContact CB-CB 4.16Å; P550-E584 WeakPolarHBondContact CB-O 3.23Å; P550-I654 HydrophobicContact CB-CG1 4.38Å; P550-I654 HydrophobicContact CB-CG2 4.16Å; P550-I654 HydrophobicContact CG-CG1 4.41Å; P550-I654 HydrophobicContact CG-CG2 3.99Å; P550-R658 HydrophobicContact CG-CB 4.01Å; P550-G660 CarbonylContact O-C 3.47Å; P550-G660 WeakPolarHBondContact O-CA 3.5Å; P550-Y661 PolarHBondContact O-N 3Å | ||
| 551 | F | 97.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 151.4 | 171.7 | 62.4 | -96.3 | 0 | 0 | 0 | 114.6 | P544 M553 F566 E584 T585 W586 Y661 Y663 | P544-F551 HydrophobicContact CG-CB 4.44Å; P544-F551 HydrophobicContact CG-CD1 3.99Å; F551-M553 HydrophobicContact CD2-CE 4.45Å; F551-M553 HydrophobicContact CD2-CG 3.85Å; F551-M553 HydrophobicContact CD2-SD 4.14Å; F551-M553 HydrophobicContact CE2-CE 3.86Å; F551-M553 HydrophobicContact CE2-CG 3.97Å; F551-M553 HydrophobicContact CE2-SD 3.61Å; F551-F566 HydrophobicContact CE2-CD2 4.25Å; F551-E584 PolarHBondContact N-O 3.05Å; F551-T585 HydrophobicContact CD2-CG2 4.27Å; F551-T585 HydrophobicContact CE2-CG2 3.6Å; F551-T585 HydrophobicContact CZ-CG2 3.77Å; F551-W586 PolarHBondContact O-N 3.19Å; F551-Y661 CarbonylContact C-O 3.56Å; F551-Y661 VanDerWaalsContact CA-O 3.27Å; F551-Y661 WeakPolarHBondContact CA-O 3.47Å; F551-Y663 HydrophobicContact CB-CD2 4.31Å; F551-Y663 HydrophobicContact CB-CE2 3.77Å; F551-Y663 HydrophobicContact CD2-CD2 4.36Å; F551-Y663 HydrophobicContact CD2-CE2 4.18Å; F551-Y663 HydrophobicContact CG-CE2 4.14Å |
| 552 | V | 98.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 125.3 | -177 | -179 | 0 | 0 | 0 | 0 | 109.6 | I554 W586 F588 I654 Y661 I662 Y663 | V552-I554 HydrophobicContact CG1-CD1 4.48Å; V552-I554 HydrophobicContact CG1-CG1 4.26Å; V552-W586 HydrophobicContact CB-CB 4.39Å; V552-W586 HydrophobicContact CG1-CB 4.3Å; V552-W586 HydrophobicContact CG2-CB 4.11Å; V552-W586 HydrophobicContact CG2-CG 4.39Å; V552-F588 HydrophobicContact CG1-CD2 3.71Å; V552-F588 HydrophobicContact CG1-CE2 3.57Å; V552-I654 HydrophobicContact CG2-CD1 4.15Å; V552-I654 HydrophobicContact CG2-CG2 4.11Å; V552-Y661 PolarHBondContact N-O 2.76Å; V552-I662 HydrophobicContact CB-CB 4.48Å; V552-I662 HydrophobicContact CB-CG1 4.32Å; V552-I662 HydrophobicContact CG1-CD1 4.45Å; V552-I662 HydrophobicContact CG1-CG1 4.42Å; V552-I662 CarbonylContact O-C 3.52Å; V552-I662 WeakPolarHBondContact O-CA 3.4Å; V552-Y663 PolarHBondContact O-N 3.26Å |
| 553 | M | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 132.6 | 178.1 | -62.3 | 175.7 | -67.5 | 0 | 0 | 109.8 | F551 F563 F566 L567 T585 W586 L587 F588 L613 Y663 | F551-M553 HydrophobicContact CD2-CE 4.45Å; F551-M553 HydrophobicContact CD2-CG 3.85Å; F551-M553 HydrophobicContact CD2-SD 4.14Å; F551-M553 HydrophobicContact CE2-CE 3.86Å; F551-M553 HydrophobicContact CE2-CG 3.97Å; F551-M553 HydrophobicContact CE2-SD 3.61Å; M553-F563 HydrophobicContact CB-CB 4.36Å; M553-F563 HydrophobicContact CB-CD1 3.65Å; M553-F563 HydrophobicContact CB-CD2 3.83Å; M553-F563 HydrophobicContact CB-CE1 3.81Å; M553-F563 HydrophobicContact CB-CE2 3.99Å; M553-F563 HydrophobicContact CB-CG 3.67Å; M553-F563 HydrophobicContact CB-CZ 3.98Å; M553-F563 HydrophobicContact CG-CB 4.42Å; M553-F563 HydrophobicContact CG-CD1 3.43Å; M553-F563 VanDerWaalsContact CG-CD1 3.43Å; M553-F563 HydrophobicContact CG-CE1 3.74Å; M553-F563 HydrophobicContact CG-CG 3.87Å; M553-F563 HydrophobicContact CG-CZ 4.39Å; M553-F563 HydrophobicContact SD-CB 3.54Å; M553-F563 VanDerWaalsContact SD-CB 3.54Å; M553-F563 HydrophobicContact SD-CD1 3.4Å; M553-F563 WeakPolarHBondContact SD-CD1 3.44Å; M553-F563 HydrophobicContact SD-CE1 4.29Å; M553-F563 HydrophobicContact SD-CG 3.62Å; M553-F566 HydrophobicContact SD-CB 4.08Å; M553-F566 HydrophobicContact SD-CD2 4.1Å; M553-F566 HydrophobicContact SD-CG 4.48Å; M553-L567 HydrophobicContact CE-CD1 4.23Å; M553-L567 HydrophobicContact CE-CD2 3.92Å; M553-L567 HydrophobicContact CE-CG 3.99Å; M553-T585 HydrophobicContact CE-CG2 3.61Å; M553-W586 WeakPolarHBondContact CB-O 3.22Å; M553-W586 PolarHBondContact N-O 2.87Å; M553-L587 HydrophobicContact CB-CD1 3.71Å; M553-L587 HydrophobicContact CE-CB 4.17Å; M553-L587 HydrophobicContact CE-CD1 4.44Å; M553-L587 CarbonylContact O-C 3.6Å; M553-L587 WeakPolarHBondContact O-CA 3.49Å; M553-F588 PolarHBondContact O-N 3.11Å; M553-L613 HydrophobicContact CE-CD1 4.44Å; M553-Y663 HydrophobicContact CG-CD2 4.49Å |
| 554 | I | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 108.7 | 179.3 | -57.5 | 158.4 | 0 | 0 | 0 | 107.9 | V552 F563 F588 V640 L644 I662 Y663 V664 C665 V675 | V552-I554 HydrophobicContact CG1-CD1 4.48Å; V552-I554 HydrophobicContact CG1-CG1 4.26Å; I554-F563 WeakPolarHBondContact O-CE2 3.18Å; I554-F588 HydrophobicContact CB-CB 4.47Å; I554-F588 HydrophobicContact CG1-CB 4.07Å; I554-F588 HydrophobicContact CG1-CD2 4.13Å; I554-F588 HydrophobicContact CG1-CG 4.38Å; I554-F588 HydrophobicContact CG2-CB 4.39Å; I554-V640 HydrophobicContact CG2-CB 4.12Å; I554-V640 HydrophobicContact CG2-CG2 3.87Å; I554-L644 HydrophobicContact CD1-CD1 3.74Å; I554-L644 HydrophobicContact CD1-CD2 3.91Å; I554-L644 HydrophobicContact CD1-CG 4.43Å; I554-L644 HydrophobicContact CG1-CD1 4.4Å; I554-L644 HydrophobicContact CG1-CD2 4.26Å; I554-I662 HydrophobicContact CD1-CD1 3.67Å; I554-I662 HydrophobicContact CD1-CG1 3.95Å; I554-Y663 PolarHBondContact N-O 3.15Å; I554-V664 HydrophobicContact CB-CG2 4.27Å; I554-V664 HydrophobicContact CD1-CG2 4.01Å; I554-V664 WeakPolarHBondContact O-CA 3.16Å; I554-C665 PolarHBondContact O-N 3.29Å; I554-V675 HydrophobicContact CD1-CG1 3.79Å; I554-V675 HydrophobicContact CG2-CG2 3.98Å |
| 555 | G | 96.7 | Very high | 96 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -152.2 | 78.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V560 F588 F589 C665 | G555-V560 PolarHBondContact O-N 2.99Å; G555-F588 PolarHBondContact N-O 3.47Å; G555-F589 VanDerWaalsContact O-CD2 3.25Å; G555-F589 WeakPolarHBondContact O-CD2 3.43Å; G555-C665 WeakPolarHBondContact CA-O 3.32Å | ||
| 556 | P | 95.1 | Very high | 96.4 | Very high | 31 Ų | 31 | 14.5 Ų | 14.5 | 20% | 0.201 | 9% | 0.092 | C | C | . | . | trans | -71.7 | 147.9 | 175.5 | 27 | -29.5 | 0 | 0 | 0 | 112.6 | T558 G559 G590 V640 M671 | P556-T558 PolarHBondContact O-N 3.36Å; P556-G559 PolarHBondContact O-N 3.09Å; P556-G559 VanDerWaalsContact O-N 3.08Å; P556-G590 CarbonylContact C-O 3.56Å; P556-G590 WeakPolarHBondContact CA-O 3.29Å; P556-G590 WeakPolarHBondContact CB-O 3.39Å; P556-V640 HydrophobicContact CB-CG1 4.16Å; P556-V640 HydrophobicContact CG-CG1 4.3Å; P556-V640 HydrophobicContact CG-CG2 4.42Å; P556-M671 HydrophobicContact CG-CE 4.11Å; P556-M671 HydrophobicContact CG-CG 3.51Å; P556-M671 HydrophobicContact CG-SD 3.97Å | ||
| 557 | G | 93.7 | Very high | 96.6 | Very high | 21 Ų | 21 | 11 Ų | 11 | 22% | 0.216 | 7% | 0.073 | C | C | . | . | G | 310 helix | trans | 57.3 | -132.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G559 V560 G590 | G557-G559 PolarHBondContact O-N 2.93Å; G557-V560 WeakPolarHBondContact O-CG1 3.4Å; G557-V560 PolarHBondContact O-N 3.12Å; G557-G590 PolarHBondContact N-O 3.12Å |
| 558 | T | 94.5 | Very high | 96.8 | Very high | 44 Ų | 44 | 9 Ų | 9 | 27% | 0.27 | 6% | 0.061 | S | C | . | . | G | 310 helix | trans | -68.1 | -10.5 | 177.7 | 48.3 | 0 | 0 | 0 | 0 | 113.6 | V486 N488 P556 V560 A561 L599 | V486-T558 HydrophobicContact CG2-CG2 4.22Å; N488-T558 HydrophobicContact CB-CG2 4.5Å; N488-T558 VanDerWaalsContact ND2-CG2 3.33Å; N488-T558 WeakPolarHBondContact ND2-CG2 3.24Å; P556-T558 PolarHBondContact O-N 3.36Å; T558-V560 PolarHBondContact O-N 2.89Å; T558-V560 VanDerWaalsContact O-N 3.13Å; T558-A561 VanDerWaalsContact O-CB 3.27Å; T558-A561 WeakPolarHBondContact O-CB 3.48Å; T558-A561 PolarHBondContact O-N 3.47Å; T558-A561 VanDerWaalsContact O-N 3.1Å; T558-L599 HydrophobicContact CG2-CD1 4.16Å |
| 559 | G | 95.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 8.4 Ų | 8.4 | 1% | 0.01 | 5% | 0.053 | C | C | . | . | G | 310 helix | trans | -63.5 | -11.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P556 G557 A561 C665 | P556-G559 PolarHBondContact O-N 3.09Å; P556-G559 VanDerWaalsContact O-N 3.08Å; G557-G559 PolarHBondContact O-N 2.93Å; G559-A561 PolarHBondContact O-N 3.19Å; G559-C665 WeakPolarHBondContact CA-O 3.48Å; G559-C665 VanDerWaalsContact O-CB 3.28Å; G559-C665 WeakPolarHBondContact O-CB 3.38Å; G559-C665 PolarHBondContact O-SG 3.48Å; G559-C665 VanDerWaalsContact O-SG 3.39Å |
| 560 | V | 96.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 5% | 0.045 | C | C | . | . | G | 310 helix | trans | -71.5 | -16.4 | 172.4 | 77.4 | 0 | 0 | 0 | 0 | 113.1 | G555 G557 T558 F563 I564 L587 F589 L599 F600 | G555-V560 PolarHBondContact O-N 2.99Å; G557-V560 WeakPolarHBondContact O-CG1 3.4Å; G557-V560 PolarHBondContact O-N 3.12Å; T558-V560 PolarHBondContact O-N 2.89Å; T558-V560 VanDerWaalsContact O-N 3.13Å; V560-F563 WeakPolarHBondContact O-CB 3.34Å; V560-F563 PolarHBondContact O-N 3.31Å; V560-I564 HydrophobicContact CG2-CD1 4.13Å; V560-I564 HydrophobicContact CG2-CG1 4.41Å; V560-I564 PolarHBondContact O-N 3.21Å; V560-L587 HydrophobicContact CG2-CD2 4.28Å; V560-F589 HydrophobicContact CB-CD2 3.91Å; V560-F589 HydrophobicContact CB-CE2 3.88Å; V560-F589 HydrophobicContact CG1-CE2 4.06Å; V560-F589 HydrophobicContact CG2-CD2 3.96Å; V560-F589 HydrophobicContact CG2-CE2 4.29Å; V560-L599 HydrophobicContact CG1-CB 4.41Å; V560-F600 HydrophobicContact CG1-CD2 3.84Å; V560-F600 HydrophobicContact CG1-CE2 4.07Å |
| 561 | A | 96.3 | Very high | 96.8 | Very high | 4 Ų | 4 | 8 Ų | 8 | 3% | 0.033 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -45.5 | -62.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114 | A473 V486 T558 G559 F563 I564 | A473-A561 VanDerWaalsContact CA-O 3.27Å; A473-A561 WeakPolarHBondContact CA-O 3.33Å; A473-A561 HydrophobicContact CB-CB 4.11Å; V486-A561 HydrophobicContact CG1-CB 3.55Å; T558-A561 VanDerWaalsContact O-CB 3.27Å; T558-A561 WeakPolarHBondContact O-CB 3.48Å; T558-A561 PolarHBondContact O-N 3.47Å; T558-A561 VanDerWaalsContact O-N 3.1Å; G559-A561 PolarHBondContact O-N 3.19Å; A561-F563 PolarHBondContact O-N 3.21Å; A561-I564 PolarHBondContact O-N 2.83Å |
| 562 | P | 96.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 9.5 Ų | 9.5 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63 | -28.4 | -177.8 | 26.9 | -36.1 | 0 | 0 | 0 | 113 | A472 F541 I564 G565 F566 C665 | A472-P562 WeakPolarHBondContact O-CA 3.48Å; F541-P562 HydrophobicContact CE1-CB 3.96Å; F541-P562 HydrophobicContact CE1-CG 3.96Å; P562-I564 VanDerWaalsContact C-N 3.35Å; P562-I564 PolarHBondContact O-N 3Å; P562-G565 WeakPolarHBondContact O-CA 3.43Å; P562-G565 PolarHBondContact O-N 3.21Å; P562-G565 VanDerWaalsContact O-N 3.14Å; P562-F566 WeakPolarHBondContact O-CD1 3.3Å; P562-F566 PolarHBondContact O-N 3.45Å; P562-C665 HydrophobicContact CG-CB 3.93Å; P562-C665 VanDerWaalsContact CG-SG 3.6Å |
| 563 | F | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -73 | -26.9 | -177.6 | -56.8 | -39.1 | 0 | 0 | 0 | 113.2 | F541 M553 I554 V560 A561 G565 F566 L567 L587 Y663 C665 | F541-F563 AromaticContact CE1-CE1 3.96Å; F541-F563 HydrophobicContact CE1-CE1 3.96Å; F541-F563 AromaticContact CZ-CE1 3.79Å; F541-F563 HydrophobicContact CZ-CE1 3.79Å; F541-F563 HydrophobicContact CZ-CZ 4Å; M553-F563 HydrophobicContact CB-CB 4.36Å; M553-F563 HydrophobicContact CB-CD1 3.65Å; M553-F563 HydrophobicContact CB-CD2 3.83Å; M553-F563 HydrophobicContact CB-CE1 3.81Å; M553-F563 HydrophobicContact CB-CE2 3.99Å; M553-F563 HydrophobicContact CB-CG 3.67Å; M553-F563 HydrophobicContact CB-CZ 3.98Å; M553-F563 HydrophobicContact CG-CB 4.42Å; M553-F563 HydrophobicContact CG-CD1 3.43Å; M553-F563 VanDerWaalsContact CG-CD1 3.43Å; M553-F563 HydrophobicContact CG-CE1 3.74Å; M553-F563 HydrophobicContact CG-CG 3.87Å; M553-F563 HydrophobicContact CG-CZ 4.39Å; M553-F563 HydrophobicContact SD-CB 3.54Å; M553-F563 VanDerWaalsContact SD-CB 3.54Å; M553-F563 HydrophobicContact SD-CD1 3.4Å; M553-F563 WeakPolarHBondContact SD-CD1 3.44Å; M553-F563 HydrophobicContact SD-CE1 4.29Å; M553-F563 HydrophobicContact SD-CG 3.62Å; I554-F563 WeakPolarHBondContact O-CE2 3.18Å; V560-F563 WeakPolarHBondContact O-CB 3.34Å; V560-F563 PolarHBondContact O-N 3.31Å; A561-F563 PolarHBondContact O-N 3.21Å; F563-G565 VanDerWaalsContact C-N 3.32Å; F563-F566 HydrophobicContact CD1-CD2 4.26Å; F563-F566 PolarHBondContact O-N 3.02Å; F563-L567 WeakPolarHBondContact O-CB 3.46Å; F563-L567 VanDerWaalsContact O-CG 3.3Å; F563-L567 WeakPolarHBondContact O-CG 3.43Å; F563-L567 PolarHBondContact O-N 3.02Å; F563-L587 HydrophobicContact CB-CD1 4.32Å; F563-L587 HydrophobicContact CD2-CD1 4.03Å; F563-L587 HydrophobicContact CG-CD1 4.42Å; F563-Y663 VanDerWaalsContact CE1-CB 3.46Å; F563-Y663 HydrophobicContact CE1-CG 4.28Å; F563-C665 HydrophobicContact CE2-CB 3.84Å; F563-C665 HydrophobicContact CZ-CB 3.79Å |
| 564 | I | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -61.7 | -45.3 | 167.8 | -58.2 | -56 | 0 | 0 | 0 | 109.9 | A473 V560 A561 P562 F566 L567 Q568 F600 L604 | A473-I564 WeakPolarHBondContact O-CG2 3.41Å; V560-I564 HydrophobicContact CG2-CD1 4.13Å; V560-I564 HydrophobicContact CG2-CG1 4.41Å; V560-I564 PolarHBondContact O-N 3.21Å; A561-I564 PolarHBondContact O-N 2.83Å; P562-I564 VanDerWaalsContact C-N 3.35Å; P562-I564 PolarHBondContact O-N 3Å; I564-F566 PolarHBondContact O-N 2.71Å; I564-L567 PolarHBondContact O-N 2.99Å; I564-Q568 HydrophobicContact CG2-CG 4.42Å; I564-Q568 WeakPolarHBondContact O-CB 3.29Å; I564-Q568 VanDerWaalsContact O-CG 3.3Å; I564-Q568 WeakPolarHBondContact O-CG 3.22Å; I564-Q568 PolarHBondContact O-N 3.12Å; I564-F600 HydrophobicContact CD1-CB 3.75Å; I564-F600 HydrophobicContact CD1-CD1 4.28Å; I564-F600 HydrophobicContact CD1-CD2 4.01Å; I564-F600 HydrophobicContact CD1-CG 3.77Å; I564-F600 HydrophobicContact CG1-CB 4.44Å; I564-F600 HydrophobicContact CG1-CD1 4.17Å; I564-F600 HydrophobicContact CG1-CD2 3.84Å; I564-F600 HydrophobicContact CG1-CE1 4.34Å; I564-F600 HydrophobicContact CG1-CE2 4.04Å; I564-F600 HydrophobicContact CG1-CG 3.9Å; I564-F600 HydrophobicContact CG1-CZ 4.27Å; I564-F600 HydrophobicContact CG2-CD1 4.45Å; I564-F600 HydrophobicContact CG2-CE1 4.46Å; I564-L604 HydrophobicContact CD1-CD2 3.77Å; I564-L604 HydrophobicContact CD1-CG 4.25Å |
| 565 | G | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.5 | -41.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | P326 P562 F563 Q569 | P326-G565 WeakPolarHBondContact CG-O 3.35Å; P562-G565 WeakPolarHBondContact O-CA 3.43Å; P562-G565 PolarHBondContact O-N 3.21Å; P562-G565 VanDerWaalsContact O-N 3.14Å; F563-G565 VanDerWaalsContact C-N 3.32Å; G565-Q569 VanDerWaalsContact O-CB 3.28Å; G565-Q569 WeakPolarHBondContact O-CB 3.38Å; G565-Q569 PolarHBondContact O-N 3Å |
| 566 | F | 97.6 | Very high | 96 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62 | -44 | 177.6 | -78.2 | 27.8 | 0 | 0 | 0 | 111.6 | P326 F541 P543 F551 M553 P562 F563 I564 R570 Y663 | P326-F566 HydrophobicContact CB-CD1 3.63Å; P326-F566 HydrophobicContact CB-CE1 4.05Å; F541-F566 HydrophobicContact CD1-CE1 4.4Å; F541-F566 AromaticContact CD1-CZ 3.92Å; F541-F566 HydrophobicContact CD1-CZ 3.92Å; F541-F566 AromaticContact CE1-CZ 4Å; F541-F566 HydrophobicContact CE1-CZ 4Å; P543-F566 HydrophobicContact CB-CD2 4.41Å; P543-F566 HydrophobicContact CG-CB 4.35Å; P543-F566 HydrophobicContact CG-CD1 3.77Å; P543-F566 HydrophobicContact CG-CD2 3.87Å; P543-F566 HydrophobicContact CG-CE1 3.92Å; P543-F566 HydrophobicContact CG-CE2 4.03Å; P543-F566 HydrophobicContact CG-CG 3.73Å; P543-F566 HydrophobicContact CG-CZ 4.05Å; F551-F566 HydrophobicContact CE2-CD2 4.25Å; M553-F566 HydrophobicContact SD-CB 4.08Å; M553-F566 HydrophobicContact SD-CD2 4.1Å; M553-F566 HydrophobicContact SD-CG 4.48Å; P562-F566 WeakPolarHBondContact O-CD1 3.3Å; P562-F566 PolarHBondContact O-N 3.45Å; F563-F566 HydrophobicContact CD1-CD2 4.26Å; F563-F566 PolarHBondContact O-N 3.02Å; I564-F566 PolarHBondContact O-N 2.71Å; F566-R570 WeakPolarHBondContact O-CB 3.49Å; F566-R570 PolarHBondContact O-N 2.87Å; F566-Y663 AromaticContact CE2-CD1 3.85Å; F566-Y663 HydrophobicContact CE2-CD1 3.85Å; F566-Y663 HydrophobicContact CE2-CD2 4.23Å; F566-Y663 AromaticContact CE2-CE1 3.73Å; F566-Y663 HydrophobicContact CE2-CE1 3.73Å; F566-Y663 HydrophobicContact CE2-CE2 4.13Å; F566-Y663 HydrophobicContact CE2-CG 4.11Å; F566-Y663 AromaticContact CE2-CZ 3.91Å; F566-Y663 HydrophobicContact CZ-CD1 4.25Å; F566-Y663 HydrophobicContact CZ-CE1 4.11Å |
| 567 | L | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.7 | -42.4 | -179.8 | -71.4 | 169.9 | 0 | 0 | 0 | 112 | M553 F563 I564 Q569 R570 E571 T585 L587 L604 F607 T612 L613 | M553-L567 HydrophobicContact CE-CD1 4.23Å; M553-L567 HydrophobicContact CE-CD2 3.92Å; M553-L567 HydrophobicContact CE-CG 3.99Å; F563-L567 WeakPolarHBondContact O-CB 3.46Å; F563-L567 VanDerWaalsContact O-CG 3.3Å; F563-L567 WeakPolarHBondContact O-CG 3.43Å; F563-L567 PolarHBondContact O-N 3.02Å; I564-L567 PolarHBondContact O-N 2.99Å; L567-Q569 VanDerWaalsContact C-N 3.34Å; L567-Q569 PolarHBondContact O-N 3.04Å; L567-R570 PolarHBondContact O-N 2.86Å; L567-E571 WeakPolarHBondContact O-CB 3.39Å; L567-E571 PolarHBondContact O-N 2.85Å; L567-T585 HydrophobicContact CD2-CG2 3.71Å; L567-L587 HydrophobicContact CD1-CD2 4.41Å; L567-L604 HydrophobicContact CD1-CD2 3.87Å; L567-F607 HydrophobicContact CB-CD1 4.35Å; L567-F607 HydrophobicContact CB-CD2 3.69Å; L567-F607 HydrophobicContact CB-CE1 4.26Å; L567-F607 HydrophobicContact CB-CE2 3.55Å; L567-F607 HydrophobicContact CB-CG 4.1Å; L567-F607 HydrophobicContact CB-CZ 3.88Å; L567-F607 HydrophobicContact CD1-CD2 3.69Å; L567-F607 HydrophobicContact CD1-CE2 4.12Å; L567-F607 HydrophobicContact CD1-CG 4.4Å; L567-F607 HydrophobicContact CG-CD2 4.22Å; L567-F607 HydrophobicContact CG-CE2 4.46Å; L567-T612 HydrophobicContact CD2-CG2 4.12Å; L567-T612 WeakPolarHBondContact O-CG2 3.23Å; L567-L613 HydrophobicContact CD1-CD2 4.3Å; L567-L613 HydrophobicContact CD2-CB 4.04Å; L567-L613 HydrophobicContact CD2-CD1 4.2Å |
| 568 | Q | 97.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.6 | -45.5 | 174.5 | -74 | 177.5 | 0.1 | 0 | 0 | 111.8 | C474 R478 I564 E571 E572 E603 F607 | C474-Q568 VanDerWaalsContact CB-OE1 3.24Å; R478-Q568 HydrophobicContact CB-CB 4.08Å; R478-Q568 HydrophobicContact CB-CG 4.44Å; R478-Q568 HydrophobicContact CG-CB 4.48Å; R478-Q568 HydrophobicContact CG-CG 4.34Å; I564-Q568 HydrophobicContact CG2-CG 4.42Å; I564-Q568 WeakPolarHBondContact O-CB 3.29Å; I564-Q568 VanDerWaalsContact O-CG 3.3Å; I564-Q568 WeakPolarHBondContact O-CG 3.22Å; I564-Q568 PolarHBondContact O-N 3.12Å; Q568-E571 PolarHBondContact O-N 3.2Å; Q568-E572 PolarHBondContact O-N 2.7Å; Q568-E572 VanDerWaalsContact O-N 3.1Å; Q568-E603 PolarHBondContact NE2-OE1 2.89Å; Q568-F607 HydrophobicContact CG-CZ 3.81Å |
| 569 | Q | 96.1 | Very high | 95.5 | Very high | 31 Ų | 31 | 40.7 Ų | 40.7 | 15% | 0.145 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.3 | -51.8 | 176 | -179.3 | 82.3 | 12 | 0 | 0 | 111 | P326 S475 L477 G565 L567 E571 E572 E573 | P326-Q569 HydrophobicContact CG-CB 3.87Å; P326-Q569 HydrophobicContact CG-CG 4.21Å; S475-Q569 PolarHBondContact OG-OE1 3.14Å; L477-Q569 HydrophobicContact CD1-CG 4.45Å; G565-Q569 VanDerWaalsContact O-CB 3.28Å; G565-Q569 WeakPolarHBondContact O-CB 3.38Å; G565-Q569 PolarHBondContact O-N 3Å; L567-Q569 VanDerWaalsContact C-N 3.34Å; L567-Q569 PolarHBondContact O-N 3.04Å; Q569-E571 VanDerWaalsContact C-N 3.32Å; Q569-E571 PolarHBondContact O-N 2.72Å; Q569-E572 PolarHBondContact O-N 3.3Å; Q569-E573 VanDerWaalsContact CG-OE1 3.27Å; Q569-E573 WeakPolarHBondContact CG-OE1 3.29Å; Q569-E573 PolarHBondContact NE2-OE1 3.3Å; Q569-E573 WeakPolarHBondContact O-CG 3.27Å; Q569-E573 PolarHBondContact O-N 3.29Å |
| 570 | R | 96 | Very high | 95.3 | Very high | 9 Ų | 9 | 42.6 Ų | 42.6 | 3% | 0.034 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.4 | -37.3 | -178.4 | -170.1 | 174 | -169 | 77 | -8.5 | 112.4 | P547 F566 L567 R574 F582 G583 T585 T612 | P547-R570 PolarHBondContact O-NH1 2.82Å; P547-R570 PolarHBondContact O-NH2 2.73Å; F566-R570 WeakPolarHBondContact O-CB 3.49Å; F566-R570 PolarHBondContact O-N 2.87Å; L567-R570 PolarHBondContact O-N 2.86Å; R570-R574 WeakPolarHBondContact O-CB 3.37Å; R570-R574 WeakPolarHBondContact O-CG 3.19Å; R570-R574 PolarHBondContact O-N 2.76Å; R570-F582 HydrophobicContact CG-CD1 4.13Å; R570-F582 HydrophobicContact CG-CE1 4.45Å; R570-G583 VanDerWaalsContact NH2-C 3.32Å; R570-G583 PolarHBondContact NH2-O 2.95Å; R570-T585 WeakPolarHBondContact CD-OG1 3.23Å; R570-T585 PolarHBondContact NE-OG1 2.97Å; R570-T612 HydrophobicContact CB-CG2 4.25Å; R570-T612 HydrophobicContact CG-CG2 4.42Å |
| 571 | E | 96.8 | Very high | 95.1 | Very high | 24 Ų | 24 | 50.6 Ų | 50.6 | 11% | 0.112 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66 | -40.7 | 176.2 | -174.4 | 170.5 | -104.2 | 0 | 0 | 111.7 | R478 L567 Q568 Q569 R574 K575 F607 S610 T612 | R478-E571 IonicContact CZ-OE2 3.79Å; R478-E571 VanDerWaalsContact CZ-OE2 3.22Å; R478-E571 IonicContact NH1-OE2 3.43Å; R478-E571 PolarHBondContact NH1-OE2 3.24Å; R478-E571 IonicContact NH2-OE2 2.75Å; R478-E571 PolarHBondContact NH2-OE2 3.23Å; L567-E571 WeakPolarHBondContact O-CB 3.39Å; L567-E571 PolarHBondContact O-N 2.85Å; Q568-E571 PolarHBondContact O-N 3.2Å; Q569-E571 VanDerWaalsContact C-N 3.32Å; Q569-E571 PolarHBondContact O-N 2.72Å; E571-R574 PolarHBondContact O-N 2.76Å; E571-K575 WeakPolarHBondContact O-CG 3.26Å; E571-K575 PolarHBondContact O-N 2.85Å; E571-K575 IonicContact OE2-NZ 3.77Å; E571-F607 HydrophobicContact CB-CE1 4.26Å; E571-S610 WeakPolarHBondContact OE1-CB 3.46Å; E571-S610 PolarHBondContact OE1-OG 3.33Å; E571-T612 HydrophobicContact CB-CG2 3.86Å; E571-T612 PolarHBondContact OE1-OG1 3.35Å |
| 572 | E | 96.1 | Very high | 95 | Very high | 33 Ų | 33 | 52.2 Ų | 52.2 | 15% | 0.154 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.3 | -45.1 | 175.2 | -70.4 | -51.1 | 127.9 | 0 | 0 | 112.2 | L477 R478 Q568 Q569 R574 K575 E576 | L477-E572 HydrophobicContact CB-CB 3.98Å; L477-E572 HydrophobicContact CB-CG 4.13Å; L477-E572 HydrophobicContact CD1-CB 4.24Å; R478-E572 HydrophobicContact CB-CG 4.31Å; R478-E572 IonicContact CZ-OE1 3.76Å; R478-E572 IonicContact NE-OE1 3.11Å; R478-E572 PolarHBondContact NE-OE1 2.96Å; R478-E572 IonicContact NH1-OE1 2.89Å; R478-E572 IonicContact NH2-OE1 3.72Å; R478-E572 PolarHBondContact NH2-OE1 3.46Å; Q568-E572 PolarHBondContact O-N 2.7Å; Q568-E572 VanDerWaalsContact O-N 3.1Å; Q569-E572 PolarHBondContact O-N 3.3Å; E572-R574 PolarHBondContact O-N 2.98Å; E572-K575 WeakPolarHBondContact O-CB 3.39Å; E572-K575 PolarHBondContact O-N 3.47Å; E572-K575 IonicContact OE1-NZ 3.55Å; E572-K575 PolarHBondContact OE1-NZ 2.87Å; E572-E576 PolarHBondContact O-N 3.23Å |
| 573 | E | 94.5 | Very high | 94.9 | Very high | 55 Ų | 55 | 52.5 Ų | 52.5 | 26% | 0.257 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.1 | -34.7 | 175.9 | -72.6 | 169.5 | 178.8 | 0 | 0 | 112.4 | L477 Q569 N577 F582 | L477-E573 HydrophobicContact CD1-CG 4.23Å; Q569-E573 VanDerWaalsContact CG-OE1 3.27Å; Q569-E573 WeakPolarHBondContact CG-OE1 3.29Å; Q569-E573 PolarHBondContact NE2-OE1 3.3Å; Q569-E573 WeakPolarHBondContact O-CG 3.27Å; Q569-E573 PolarHBondContact O-N 3.29Å; E573-N577 PolarHBondContact O-N 3.26Å; E573-N577 PolarHBondContact O-ND2 2.93Å; E573-F582 HydrophobicContact CB-CE1 4.15Å; E573-F582 HydrophobicContact CB-CZ 4.25Å |
| 574 | R | 94.4 | Very high | 94.9 | Very high | 79 Ų | 79 | 55.3 Ų | 55.3 | 30% | 0.298 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.2 | -38.4 | 173.8 | -80 | 178.7 | 67.3 | 162 | -6.3 | 113.3 | R570 E571 E572 N577 P578 F582 G611 | R570-R574 WeakPolarHBondContact O-CB 3.37Å; R570-R574 WeakPolarHBondContact O-CG 3.19Å; R570-R574 PolarHBondContact O-N 2.76Å; E571-R574 PolarHBondContact O-N 2.76Å; E572-R574 PolarHBondContact O-N 2.98Å; R574-N577 CarbonylContact O-C 3.51Å; R574-P578 WeakPolarHBondContact O-CA 3.37Å; R574-F582 HydrophobicContact CB-CE2 4.17Å; R574-F582 HydrophobicContact CB-CZ 4.14Å; R574-F582 HydrophobicContact CG-CD1 3.63Å; R574-F582 HydrophobicContact CG-CD2 3.51Å; R574-F582 HydrophobicContact CG-CE1 3.52Å; R574-F582 HydrophobicContact CG-CE2 3.41Å; R574-F582 VanDerWaalsContact CG-CE2 3.41Å; R574-F582 HydrophobicContact CG-CG 3.63Å; R574-F582 HydrophobicContact CG-CZ 3.42Å; R574-F582 VanDerWaalsContact CG-CZ 3.42Å; R574-G611 PolarHBondContact NH1-O 3.01Å |
| 575 | K | 94.2 | Very high | 94.8 | Very high | 115 Ų | 115 | 55.3 Ų | 55.3 | 50% | 0.5 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.1 | -39.9 | 176.3 | -70.6 | 171.2 | -171.4 | 167 | 0 | 111 | E571 E572 | E571-K575 WeakPolarHBondContact O-CG 3.26Å; E571-K575 PolarHBondContact O-N 2.85Å; E571-K575 IonicContact OE2-NZ 3.77Å; E572-K575 WeakPolarHBondContact O-CB 3.39Å; E572-K575 PolarHBondContact O-N 3.47Å; E572-K575 IonicContact OE1-NZ 3.55Å; E572-K575 PolarHBondContact OE1-NZ 2.87Å |
| 576 | E | 94.1 | Very high | 94.9 | Very high | 123 Ų | 123 | 55.7 Ų | 55.7 | 58% | 0.575 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -69.2 | -34.2 | 176.9 | -70.1 | -177.5 | 170.5 | 0 | 0 | 112.3 | E572 | E572-E576 PolarHBondContact O-N 3.23Å |
| 577 | N | 92.1 | Very high | 95 | Very high | 89 Ų | 89 | 55.7 Ų | 55.7 | 48% | 0.476 | 27% | 0.272 | S | S | . | . | trans | -128.5 | 74.2 | -178.6 | -58.3 | -70.7 | 0 | 0 | 0 | 113.1 | E573 R574 E579 A580 | E573-N577 PolarHBondContact O-N 3.26Å; E573-N577 PolarHBondContact O-ND2 2.93Å; R574-N577 CarbonylContact O-C 3.51Å; N577-E579 VanDerWaalsContact C-N 3.27Å; N577-E579 PolarHBondContact O-N 2.88Å; N577-A580 HydrophobicContact CB-CB 3.86Å; N577-A580 WeakPolarHBondContact O-CB 3.14Å; N577-A580 PolarHBondContact O-N 3.48Å; N577-A580 VanDerWaalsContact O-N 3.12Å | ||
| 578 | P | 88.9 | Confident | 95 | Very high | 101 Ų | 101 | 55.7 Ų | 55.7 | 66% | 0.656 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -29.5 | -175.8 | -24.8 | 35.3 | 0 | 0 | 0 | 114.9 | R574 | R574-P578 WeakPolarHBondContact O-CA 3.37Š|
| 579 | E | 90.5 | Very high | 94.9 | Very high | 188 Ų | 188 | 55.7 Ų | 55.7 | 88% | 0.879 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -12.2 | -179.6 | -59.9 | -59.1 | 144.5 | 0 | 0 | 113.1 | N577 | N577-E579 VanDerWaalsContact C-N 3.27Å; N577-E579 PolarHBondContact O-N 2.88Å |
| 580 | A | 91 | Very high | 94.9 | Very high | 41 Ų | 41 | 54.5 Ų | 54.5 | 34% | 0.339 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -71.4 | 140.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | N577 F582 | N577-A580 HydrophobicContact CB-CB 3.86Å; N577-A580 WeakPolarHBondContact O-CB 3.14Å; N577-A580 PolarHBondContact O-N 3.48Å; N577-A580 VanDerWaalsContact O-N 3.12Å; A580-F582 HydrophobicContact CB-CD2 4.45Å; A580-F582 HydrophobicContact CB-CE2 3.76Å; A580-F582 HydrophobicContact CB-CZ 4.33Å; A580-F582 WeakPolarHBondContact O-CD2 3.42Å; A580-F582 WeakPolarHBondContact O-CE2 3.31Å; A580-F582 PolarHBondContact O-N 3.02Å |
| 581 | K | 92.9 | Very high | 94.7 | Very high | 168 Ų | 168 | 54.5 Ų | 54.5 | 73% | 0.73 | 27% | 0.269 | S | S | * | . | P | Polyproline II helix | trans | -79.6 | 122.7 | 175.2 | -174.1 | 178.2 | 179.1 | -178.9 | 0 | 109.6 | S548 | S548-K581 VanDerWaalsContact CA-O 3.22Å; S548-K581 WeakPolarHBondContact CA-O 3.45Å; S548-K581 WeakPolarHBondContact CB-O 3.22Å; S548-K581 PolarHBondContact N-O 2.87Å |
| 582 | F | 95.4 | Very high | 94.4 | Very high | 38 Ų | 38 | 55.5 Ų | 55.5 | 17% | 0.167 | 27% | 0.272 | C | S | . | . | P | Polyproline II helix | trans | -103 | 133.4 | 173.8 | -70.8 | -96.9 | 0 | 0 | 0 | 110.7 | P547 R570 E573 R574 A580 | P547-F582 HydrophobicContact CB-CD1 3.79Å; P547-F582 HydrophobicContact CB-CE1 3.65Å; P547-F582 HydrophobicContact CB-CZ 4.29Å; P547-F582 WeakPolarHBondContact O-CA 3.44Å; R570-F582 HydrophobicContact CG-CD1 4.13Å; R570-F582 HydrophobicContact CG-CE1 4.45Å; E573-F582 HydrophobicContact CB-CE1 4.15Å; E573-F582 HydrophobicContact CB-CZ 4.25Å; R574-F582 HydrophobicContact CB-CE2 4.17Å; R574-F582 HydrophobicContact CB-CZ 4.14Å; R574-F582 HydrophobicContact CG-CD1 3.63Å; R574-F582 HydrophobicContact CG-CD2 3.51Å; R574-F582 HydrophobicContact CG-CE1 3.52Å; R574-F582 HydrophobicContact CG-CE2 3.41Å; R574-F582 VanDerWaalsContact CG-CE2 3.41Å; R574-F582 HydrophobicContact CG-CG 3.63Å; R574-F582 HydrophobicContact CG-CZ 3.42Å; R574-F582 VanDerWaalsContact CG-CZ 3.42Å; A580-F582 HydrophobicContact CB-CD2 4.45Å; A580-F582 HydrophobicContact CB-CE2 3.76Å; A580-F582 HydrophobicContact CB-CZ 4.33Å; A580-F582 WeakPolarHBondContact O-CD2 3.42Å; A580-F582 WeakPolarHBondContact O-CE2 3.31Å; A580-F582 PolarHBondContact O-N 3.02Å |
| 583 | G | 94.4 | Very high | 94.2 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 7% | 0.072 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 167.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P547 S548 R570 | P547-G583 PolarHBondContact O-N 2.72Å; S548-G583 WeakPolarHBondContact O-CA 3.36Å; S548-G583 PolarHBondContact O-N 3.45Å; R570-G583 VanDerWaalsContact NH2-C 3.32Å; R570-G583 PolarHBondContact NH2-O 2.95Å |
| 584 | E | 96 | Very high | 94 | Very high | 59 Ų | 59 | 60.3 Ų | 60.3 | 28% | 0.276 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 138.1 | 175.5 | -75.6 | 160.5 | -135 | 0 | 0 | 112.1 | P550 F551 N614 R658 | P550-E584 CarbonylContact C-O 3.57Å; P550-E584 WeakPolarHBondContact CA-O 3.48Å; P550-E584 HydrophobicContact CB-CB 4.16Å; P550-E584 WeakPolarHBondContact CB-O 3.23Å; F551-E584 PolarHBondContact N-O 3.05Å; E584-N614 WeakPolarHBondContact CA-OD1 3.48Å; E584-R658 VanDerWaalsContact CD-NH1 3.25Å; E584-R658 IonicContact OE1-CZ 3.97Å; E584-R658 VanDerWaalsContact OE1-CZ 3.3Å; E584-R658 IonicContact OE1-NH1 3.36Å; E584-R658 PolarHBondContact OE1-NH1 3.19Å; E584-R658 IonicContact OE1-NH2 2.74Å; E584-R658 PolarHBondContact OE1-NH2 3.46Å; E584-R658 IonicContact OE2-CZ 3.93Å; E584-R658 IonicContact OE2-NH1 3.89Å; E584-R658 PolarHBondContact OE2-NH1 3.02Å; E584-R658 VanDerWaalsContact OE2-NH1 3.11Å; E584-R658 IonicContact OE2-NH2 3.7Å |
| 585 | T | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 125.5 | 176.5 | -40.9 | 0 | 0 | 0 | 0 | 110.2 | F551 M553 L567 R570 T612 L613 N614 H615 | F551-T585 HydrophobicContact CD2-CG2 4.27Å; F551-T585 HydrophobicContact CE2-CG2 3.6Å; F551-T585 HydrophobicContact CZ-CG2 3.77Å; M553-T585 HydrophobicContact CE-CG2 3.61Å; L567-T585 HydrophobicContact CD2-CG2 3.71Å; R570-T585 WeakPolarHBondContact CD-OG1 3.23Å; R570-T585 PolarHBondContact NE-OG1 2.97Å; T585-T612 VanDerWaalsContact CB-O 3.29Å; T585-T612 WeakPolarHBondContact CB-O 3.24Å; T585-T612 PolarHBondContact OG1-O 3.06Å; T585-L613 HydrophobicContact CG2-CD1 4Å; T585-N614 PolarHBondContact N-OD1 2.98Å; T585-N614 WeakPolarHBondContact O-CB 3.33Å; T585-N614 PolarHBondContact O-N 3.37Å; T585-H615 PolarHBondContact O-N 3.28Å; T585-H615 VanDerWaalsContact O-N 3.17Å |
| 586 | W | 98.5 | Very high | 93.4 | Very high | 8 Ų | 8 | 58.8 Ų | 58.8 | 3% | 0.03 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 139.1 | 177.9 | -70.5 | 67.5 | 0 | 0 | 0 | 111.1 | F551 V552 M553 F588 H615 C647 Q650 I654 | F551-W586 PolarHBondContact O-N 3.19Å; V552-W586 HydrophobicContact CB-CB 4.39Å; V552-W586 HydrophobicContact CG1-CB 4.3Å; V552-W586 HydrophobicContact CG2-CB 4.11Å; V552-W586 HydrophobicContact CG2-CG 4.39Å; M553-W586 WeakPolarHBondContact CB-O 3.22Å; M553-W586 PolarHBondContact N-O 2.87Å; W586-F588 HydrophobicContact CB-CE2 4.25Å; W586-F588 AromaticContact CE3-CE2 3.93Å; W586-F588 HydrophobicContact CE3-CE2 3.93Å; W586-F588 AromaticContact CE3-CZ 3.79Å; W586-F588 HydrophobicContact CE3-CZ 3.79Å; W586-F588 HydrophobicContact CZ3-CZ 4.22Å; W586-H615 WeakPolarHBondContact CA-O 3.44Å; W586-H615 AromaticContact CD1-CD2 3.9Å; W586-H615 HydrophobicContact CD2-CB 3.48Å; W586-H615 VanDerWaalsContact CD2-CB 3.48Å; W586-H615 AromaticContact CD2-CD2 3.63Å; W586-H615 AromaticContact CD2-CG 3.7Å; W586-H615 AromaticContact CE2-CD2 3.06Å; W586-H615 AromaticContact CE2-CG 3.53Å; W586-H615 AromaticContact CE2-NE2 3.78Å; W586-H615 HydrophobicContact CE3-CB 3.43Å; W586-H615 VanDerWaalsContact CE3-CB 3.43Å; W586-H615 AromaticContact CE3-CG 3.87Å; W586-H615 HydrophobicContact CG-CB 3.99Å; W586-H615 HydrophobicContact CH2-CB 4.18Å; W586-H615 AromaticContact CH2-CD2 3.89Å; W586-H615 AromaticContact CH2-CG 3.72Å; W586-H615 AromaticContact CH2-ND1 3.96Å; W586-H615 HydrophobicContact CZ2-CB 4.23Å; W586-H615 AromaticContact CZ2-CD2 3.22Å; W586-H615 WeakPolarHBondContact CZ2-CD2 3.46Å; W586-H615 AromaticContact CZ2-CE1 3.95Å; W586-H615 AromaticContact CZ2-CG 3.55Å; W586-H615 AromaticContact CZ2-NE2 3.5Å; W586-H615 WeakPolarHBondContact CZ2-NE2 3.3Å; W586-H615 HydrophobicContact CZ3-CB 3.81Å; W586-H615 AromaticContact CZ3-CG 3.89Å; W586-H615 AromaticContact NE1-CD2 3.26Å; W586-H615 PolarHBondContact NE1-CD2 2.79Å; W586-H615 VanDerWaalsContact NE1-CD2 3.26Å; W586-H615 AromaticContact NE1-NE2 4Å; W586-C647 HydrophobicContact CZ3-CB 4.03Å; W586-Q650 HydrophobicContact CH2-CB 3.85Å; W586-Q650 HydrophobicContact CH2-CG 4.12Å; W586-Q650 HydrophobicContact CZ2-CB 3.91Å; W586-Q650 HydrophobicContact CZ2-CG 4.32Å; W586-I654 HydrophobicContact CG-CD1 4.45Å |
| 587 | L | 98.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 121.5 | 172.2 | -179.2 | 60.5 | 0 | 0 | 0 | 110.7 | M553 V560 F563 L567 F589 L604 L613 H615 L616 K617 | M553-L587 HydrophobicContact CB-CD1 3.71Å; M553-L587 HydrophobicContact CE-CB 4.17Å; M553-L587 HydrophobicContact CE-CD1 4.44Å; M553-L587 CarbonylContact O-C 3.6Å; M553-L587 WeakPolarHBondContact O-CA 3.49Å; V560-L587 HydrophobicContact CG2-CD2 4.28Å; F563-L587 HydrophobicContact CB-CD1 4.32Å; F563-L587 HydrophobicContact CD2-CD1 4.03Å; F563-L587 HydrophobicContact CG-CD1 4.42Å; L567-L587 HydrophobicContact CD1-CD2 4.41Å; L587-F589 HydrophobicContact CG-CB 4.4Å; L587-L604 HydrophobicContact CD2-CD1 4.2Å; L587-L604 HydrophobicContact CD2-CD2 3.49Å; L587-L604 VanDerWaalsContact CD2-CD2 3.49Å; L587-L604 HydrophobicContact CD2-CG 4.47Å; L587-L613 HydrophobicContact CB-CD1 3.71Å; L587-L613 HydrophobicContact CB-CD2 4.03Å; L587-L613 HydrophobicContact CD2-CD2 4.25Å; L587-H615 PolarHBondContact N-O 2.95Å; L587-L616 HydrophobicContact CB-CD1 4.22Å; L587-L616 HydrophobicContact CD2-CD1 3.93Å; L587-L616 HydrophobicContact CG-CD1 4.16Å; L587-K617 PolarHBondContact O-N 3.28Å |
| 588 | F | 98.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 105.2 | 168.8 | -65.3 | -95 | 0 | 0 | 0 | 108.4 | V552 M553 I554 G555 W586 K617 V640 N643 L644 C647 V651 | V552-F588 HydrophobicContact CG1-CD2 3.71Å; V552-F588 HydrophobicContact CG1-CE2 3.57Å; M553-F588 PolarHBondContact O-N 3.11Å; I554-F588 HydrophobicContact CB-CB 4.47Å; I554-F588 HydrophobicContact CG1-CB 4.07Å; I554-F588 HydrophobicContact CG1-CD2 4.13Å; I554-F588 HydrophobicContact CG1-CG 4.38Å; I554-F588 HydrophobicContact CG2-CB 4.39Å; G555-F588 PolarHBondContact N-O 3.47Å; W586-F588 HydrophobicContact CB-CE2 4.25Å; W586-F588 AromaticContact CE3-CE2 3.93Å; W586-F588 HydrophobicContact CE3-CE2 3.93Å; W586-F588 AromaticContact CE3-CZ 3.79Å; W586-F588 HydrophobicContact CE3-CZ 3.79Å; W586-F588 HydrophobicContact CZ3-CZ 4.22Å; F588-K617 CarbonylContact C-O 3.25Å; F588-K617 WeakPolarHBondContact CA-O 3.47Å; F588-K617 HydrophobicContact CD1-CB 3.7Å; F588-K617 HydrophobicContact CD1-CG 4.15Å; F588-K617 HydrophobicContact CE1-CB 3.9Å; F588-K617 HydrophobicContact CE1-CG 3.82Å; F588-K617 HydrophobicContact CG-CB 4.38Å; F588-K617 HydrophobicContact CZ-CG 4.31Å; F588-V640 HydrophobicContact CB-CB 4.47Å; F588-N643 HydrophobicContact CD1-CB 3.75Å; F588-N643 HydrophobicContact CE1-CB 3.98Å; F588-L644 HydrophobicContact CD1-CD2 3.95Å; F588-L644 HydrophobicContact CD1-CG 4.14Å; F588-L644 HydrophobicContact CD2-CD2 3.83Å; F588-L644 HydrophobicContact CE1-CD2 3.84Å; F588-L644 HydrophobicContact CE1-CG 4.26Å; F588-L644 HydrophobicContact CE2-CD2 3.72Å; F588-L644 HydrophobicContact CG-CD2 3.95Å; F588-L644 HydrophobicContact CG-CG 4.4Å; F588-L644 HydrophobicContact CZ-CD2 3.73Å; F588-C647 HydrophobicContact CE1-CB 4.33Å; F588-C647 HydrophobicContact CZ-CB 4.08Å; F588-V651 HydrophobicContact CE2-CG2 4.13Å; F588-V651 HydrophobicContact CZ-CG2 3.89Å |
| 589 | F | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 145.1 | -178.8 | -179.6 | -107.6 | 0 | 0 | 0 | 110.5 | G555 V560 L587 C591 Y598 L599 K617 V618 C619 | G555-F589 VanDerWaalsContact O-CD2 3.25Å; G555-F589 WeakPolarHBondContact O-CD2 3.43Å; V560-F589 HydrophobicContact CB-CD2 3.91Å; V560-F589 HydrophobicContact CB-CE2 3.88Å; V560-F589 HydrophobicContact CG1-CE2 4.06Å; V560-F589 HydrophobicContact CG2-CD2 3.96Å; V560-F589 HydrophobicContact CG2-CE2 4.29Å; L587-F589 HydrophobicContact CG-CB 4.4Å; F589-C591 HydrophobicContact CE1-CB 3.84Å; F589-C591 HydrophobicContact CZ-CB 4.03Å; F589-Y598 AromaticContact CD1-CD2 3.74Å; F589-Y598 HydrophobicContact CD1-CD2 3.74Å; F589-Y598 AromaticContact CD1-CE2 3.6Å; F589-Y598 HydrophobicContact CD1-CE2 3.6Å; F589-Y598 AromaticContact CE1-CD2 3.33Å; F589-Y598 HydrophobicContact CE1-CD2 3.33Å; F589-Y598 AromaticContact CE1-CE2 3.71Å; F589-Y598 HydrophobicContact CE1-CE2 3.71Å; F589-Y598 HydrophobicContact CE1-CG 4.18Å; F589-Y598 HydrophobicContact CZ-CD2 4.23Å; F589-L599 HydrophobicContact CZ-CB 4.3Å; F589-K617 PolarHBondContact N-O 3.21Å; F589-V618 HydrophobicContact CD1-CG1 3.99Å; F589-V618 CarbonylContact O-C 3.55Å; F589-V618 VanDerWaalsContact O-CA 3.28Å; F589-V618 WeakPolarHBondContact O-CA 3.28Å; F589-C619 PolarHBondContact O-N 3.43Å; F589-C619 PolarHBondContact O-SG 3.05Å |
| 590 | G | 94.5 | Very high | 93.9 | Very high | 7 Ų | 7 | 38 Ų | 38 | 7% | 0.072 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 137.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | P556 G557 C619 | P556-G590 CarbonylContact C-O 3.56Å; P556-G590 WeakPolarHBondContact CA-O 3.29Å; P556-G590 WeakPolarHBondContact CB-O 3.39Å; G557-G590 PolarHBondContact N-O 3.12Å; G590-C619 WeakPolarHBondContact CA-O 3.38Å; G590-C619 WeakPolarHBondContact CA-SG 3.38Å |
| 591 | C | 93.3 | Very high | 94.1 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 5% | 0.054 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | -176 | 174.7 | 59.7 | 0 | 0 | 0 | 0 | 110.3 | F589 D597 C619 F620 S621 | F589-C591 HydrophobicContact CE1-CB 3.84Å; F589-C591 HydrophobicContact CZ-CB 4.03Å; C591-D597 VanDerWaalsContact CB-O 3.28Å; C591-D597 WeakPolarHBondContact CB-O 3.23Å; C591-C619 PolarHBondContact N-O 3.13Å; C591-F620 WeakPolarHBondContact O-CA 3.37Å; C591-F620 WeakPolarHBondContact SG-CD1 3.45Å; C591-F620 VanDerWaalsContact SG-CE1 3.51Å; C591-S621 PolarHBondContact O-N 3.47Å; C591-S621 PolarHBondContact O-OG 3.45Å; C591-S621 VanDerWaalsContact O-OG 3.08Å |
| 592 | R | 90.6 | Very high | 94.3 | Very high | 46 Ų | 46 | 38.8 Ų | 38.8 | 17% | 0.174 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -83.8 | -49.5 | -179.2 | -64.5 | 176.7 | 176.2 | -163.3 | 0.9 | 111.5 | D597 S621 R622 | R592-D597 VanDerWaalsContact CB-OD2 3.26Å; R592-D597 WeakPolarHBondContact CB-OD2 3.34Å; R592-D597 WeakPolarHBondContact CG-OD2 3.3Å; R592-D597 VanDerWaalsContact N-CG 3.33Å; R592-D597 PolarHBondContact N-OD1 2.95Å; R592-D597 PolarHBondContact N-OD2 3.27Å; R592-S621 WeakPolarHBondContact CA-OG 3.4Å; R592-S621 PolarHBondContact O-N 3.3Å; R592-R622 HydrophobicContact CB-CB 4.32Å; R592-R622 HydrophobicContact CB-CG 4.16Å; R592-R622 HydrophobicContact CG-CG 4.3Å; R592-R622 PolarHBondContact O-N 3.09Å |
| 593 | Y | 90.1 | Very high | 94.3 | Very high | 71 Ų | 71 | 39 Ų | 39 | 28% | 0.278 | 18% | 0.176 | S | C | . | . | trans | -141.1 | 139.8 | -175 | -56 | -82.6 | 0 | 0 | 0 | 110.6 | D595 K596 D597 R622 | Y593-D595 VanDerWaalsContact C-N 3.28Å; Y593-D595 PolarHBondContact O-N 3.28Å; Y593-K596 HydrophobicContact CD2-CB 4.48Å; Y593-K596 HydrophobicContact CD2-CD 3.91Å; Y593-K596 HydrophobicContact CD2-CG 4.45Å; Y593-K596 HydrophobicContact CG-CD 4.25Å; Y593-K596 HydrophobicContact CG-CG 4.48Å; Y593-K596 PolarHBondContact O-N 2.93Å; Y593-D597 PolarHBondContact N-OD1 3.39Å; Y593-D597 PolarHBondContact O-N 3.17Å; Y593-R622 HydrophobicContact CD1-CB 4.32Å; Y593-R622 HydrophobicContact CE1-CB 3.67Å; Y593-R622 WeakPolarHBondContact CE1-O 3.37Å; Y593-R622 HydrophobicContact CE2-CB 3.95Å; Y593-R622 VanDerWaalsContact CZ-CB 3.45Å | ||
| 594 | R | 90.8 | Very high | 94.5 | Very high | 118 Ų | 118 | 38.7 Ų | 38.7 | 45% | 0.445 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -39.6 | -178.8 | -171.7 | 174.5 | -166.7 | 178.4 | 3.1 | 114.1 | Y598 F620 | R594-Y598 HydrophobicContact CG-CD1 4.3Å; R594-Y598 VanDerWaalsContact O-CB 3.24Å; R594-Y598 WeakPolarHBondContact O-CB 3.44Å; R594-F620 HydrophobicContact CB-CD1 3.98Å; R594-F620 HydrophobicContact CB-CE1 3.56Å; R594-F620 HydrophobicContact CB-CE2 4.15Å; R594-F620 HydrophobicContact CB-CG 4.46Å; R594-F620 HydrophobicContact CB-CZ 3.65Å; R594-F620 HydrophobicContact CG-CE1 3.91Å; R594-F620 HydrophobicContact CG-CE2 4.28Å; R594-F620 HydrophobicContact CG-CZ 3.61Å |
| 595 | D | 88.8 | Confident | 94.5 | Very high | 106 Ų | 106 | 39.2 Ų | 39.2 | 57% | 0.567 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -3.4 | -172.9 | -61.1 | -37.1 | 0 | 0 | 0 | 113.9 | Y593 R601 | Y593-D595 VanDerWaalsContact C-N 3.28Å; Y593-D595 PolarHBondContact O-N 3.28Å; D595-R601 IonicContact OD1-NH1 3.73Å |
| 596 | K | 88.4 | Confident | 94.5 | Very high | 56 Ų | 56 | 44.2 Ų | 44.2 | 24% | 0.243 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | -52.4 | -176.2 | -54.8 | -169.4 | -175.2 | -173.1 | 0 | 113.4 | S301 K302 D304 Y593 | S301-K596 CarbonylContact C-O 3.59Å; S301-K596 VanDerWaalsContact CA-O 3.25Å; S301-K596 WeakPolarHBondContact CA-O 3.38Å; K302-K596 PolarHBondContact N-O 3.39Å; D304-K596 WeakPolarHBondContact OD1-CE 3.41Å; D304-K596 IonicContact OD1-NZ 2.68Å; D304-K596 PolarHBondContact OD1-NZ 3.48Å; D304-K596 IonicContact OD2-NZ 2.88Å; D304-K596 PolarHBondContact OD2-NZ 3.41Å; Y593-K596 HydrophobicContact CD2-CB 4.48Å; Y593-K596 HydrophobicContact CD2-CD 3.91Å; Y593-K596 HydrophobicContact CD2-CG 4.45Å; Y593-K596 HydrophobicContact CG-CD 4.25Å; Y593-K596 HydrophobicContact CG-CG 4.48Å; Y593-K596 PolarHBondContact O-N 2.93Å |
| 597 | D | 90.9 | Very high | 94.5 | Very high | 23 Ų | 23 | 44 Ų | 44 | 12% | 0.123 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -129.8 | 25.1 | -169.3 | 65.6 | -27.8 | 0 | 0 | 0 | 113.7 | C591 R592 Y593 L599 | C591-D597 VanDerWaalsContact CB-O 3.28Å; C591-D597 WeakPolarHBondContact CB-O 3.23Å; R592-D597 VanDerWaalsContact CB-OD2 3.26Å; R592-D597 WeakPolarHBondContact CB-OD2 3.34Å; R592-D597 WeakPolarHBondContact CG-OD2 3.3Å; R592-D597 VanDerWaalsContact N-CG 3.33Å; R592-D597 PolarHBondContact N-OD1 2.95Å; R592-D597 PolarHBondContact N-OD2 3.27Å; Y593-D597 PolarHBondContact N-OD1 3.39Å; Y593-D597 PolarHBondContact O-N 3.17Å; D597-L599 VanDerWaalsContact C-N 3.28Å; D597-L599 PolarHBondContact O-N 3.42Å |
| 598 | Y | 94.1 | Very high | 94.5 | Very high | 20 Ų | 20 | 46.9 Ų | 46.9 | 8% | 0.078 | 22% | 0.218 | C | C | . | . | trans | -76 | 81 | 168.4 | -165 | 169.4 | 0 | 0 | 0 | 110.8 | F589 R594 R601 L604 L616 V618 F620 | F589-Y598 AromaticContact CD1-CD2 3.74Å; F589-Y598 HydrophobicContact CD1-CD2 3.74Å; F589-Y598 AromaticContact CD1-CE2 3.6Å; F589-Y598 HydrophobicContact CD1-CE2 3.6Å; F589-Y598 AromaticContact CE1-CD2 3.33Å; F589-Y598 HydrophobicContact CE1-CD2 3.33Å; F589-Y598 AromaticContact CE1-CE2 3.71Å; F589-Y598 HydrophobicContact CE1-CE2 3.71Å; F589-Y598 HydrophobicContact CE1-CG 4.18Å; F589-Y598 HydrophobicContact CZ-CD2 4.23Å; R594-Y598 HydrophobicContact CG-CD1 4.3Å; R594-Y598 VanDerWaalsContact O-CB 3.24Å; R594-Y598 WeakPolarHBondContact O-CB 3.44Å; Y598-R601 HydrophobicContact CD1-CB 4.1Å; Y598-R601 HydrophobicContact CD1-CG 3.84Å; Y598-R601 HydrophobicContact CD2-CB 4.01Å; Y598-R601 HydrophobicContact CE1-CB 4.39Å; Y598-R601 HydrophobicContact CE1-CG 3.87Å; Y598-R601 HydrophobicContact CE2-CB 4.3Å; Y598-R601 HydrophobicContact CG-CB 3.89Å; Y598-R601 HydrophobicContact CG-CG 4.17Å; Y598-R601 PolarHBondContact O-N 3.4Å; Y598-L604 HydrophobicContact CE2-CD1 3.92Å; Y598-L616 WeakPolarHBondContact OH-CD2 3.29Å; Y598-V618 HydrophobicContact CE1-CG1 4.25Å; Y598-V618 HydrophobicContact CE1-CG2 4.21Å; Y598-V618 HydrophobicContact CE2-CG2 4.39Å; Y598-V618 WeakPolarHBondContact OH-CG2 3.36Å; Y598-F620 HydrophobicContact CD1-CE1 4.15Å; Y598-F620 HydrophobicContact CD1-CZ 4.28Å; Y598-F620 HydrophobicContact CE1-CZ 4.42Å | ||
| 599 | L | 94.8 | Very high | 94.4 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 136.8 | -179.9 | -49.4 | -175.4 | 0 | 0 | 0 | 111.4 | L300 A309 V486 T558 V560 F589 D597 R601 | L300-L599 HydrophobicContact CB-CD2 3.74Å; L300-L599 HydrophobicContact CD1-CB 4.36Å; L300-L599 HydrophobicContact CD1-CD2 4.37Å; A309-L599 HydrophobicContact CB-CD1 4.45Å; A309-L599 HydrophobicContact CB-CD2 3.58Å; V486-L599 HydrophobicContact CG2-CD1 4.4Å; T558-L599 HydrophobicContact CG2-CD1 4.16Å; V560-L599 HydrophobicContact CG1-CB 4.41Å; F589-L599 HydrophobicContact CZ-CB 4.3Å; D597-L599 VanDerWaalsContact C-N 3.28Å; D597-L599 PolarHBondContact O-N 3.42Å; L599-R601 PolarHBondContact O-N 3.03Å |
| 600 | F | 95.9 | Very high | 94.3 | Very high | 15 Ų | 15 | 54.2 Ų | 54.2 | 7% | 0.066 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 25.7 | 178.6 | -54.8 | -86.6 | 0 | 0 | 0 | 115.1 | L300 L311 V486 V560 I564 E602 E603 L604 | L300-F600 HydrophobicContact CD1-CD2 4.1Å; L300-F600 HydrophobicContact CD1-CE1 4.14Å; L300-F600 HydrophobicContact CD1-CE2 3.68Å; L300-F600 HydrophobicContact CD1-CG 4.49Å; L300-F600 HydrophobicContact CD1-CZ 3.71Å; L311-F600 HydrophobicContact CD1-CE1 4.18Å; L311-F600 HydrophobicContact CD1-CZ 4.01Å; L311-F600 HydrophobicContact CD2-CE1 4.23Å; V486-F600 HydrophobicContact CB-CE2 4.27Å; V486-F600 HydrophobicContact CB-CZ 4.23Å; V486-F600 HydrophobicContact CG1-CE2 4.06Å; V486-F600 HydrophobicContact CG1-CZ 4.33Å; V486-F600 HydrophobicContact CG2-CE2 4.37Å; V560-F600 HydrophobicContact CG1-CD2 3.84Å; V560-F600 HydrophobicContact CG1-CE2 4.07Å; I564-F600 HydrophobicContact CD1-CB 3.75Å; I564-F600 HydrophobicContact CD1-CD1 4.28Å; I564-F600 HydrophobicContact CD1-CD2 4.01Å; I564-F600 HydrophobicContact CD1-CG 3.77Å; I564-F600 HydrophobicContact CG1-CB 4.44Å; I564-F600 HydrophobicContact CG1-CD1 4.17Å; I564-F600 HydrophobicContact CG1-CD2 3.84Å; I564-F600 HydrophobicContact CG1-CE1 4.34Å; I564-F600 HydrophobicContact CG1-CE2 4.04Å; I564-F600 HydrophobicContact CG1-CG 3.9Å; I564-F600 HydrophobicContact CG1-CZ 4.27Å; I564-F600 HydrophobicContact CG2-CD1 4.45Å; I564-F600 HydrophobicContact CG2-CE1 4.46Å; F600-E602 PolarHBondContact O-N 2.94Å; F600-E603 HydrophobicContact CB-CB 4.36Å; F600-E603 WeakPolarHBondContact CD1-OE2 3.45Å; F600-E603 PolarHBondContact O-N 3.1Å; F600-E603 VanDerWaalsContact O-N 3.12Å; F600-L604 HydrophobicContact CB-CD1 4.45Å; F600-L604 HydrophobicContact CB-CG 4.28Å; F600-L604 WeakPolarHBondContact O-CG 3.33Å; F600-L604 PolarHBondContact O-N 3.03Å |
| 601 | R | 95.4 | Very high | 94.3 | Very high | 81 Ų | 81 | 55 Ų | 55 | 31% | 0.306 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -46.8 | -55.7 | -176.6 | 178.3 | 177.1 | 174.2 | -176.7 | -7.6 | 113.7 | D595 Y598 L599 E603 L604 E605 | D595-R601 IonicContact OD1-NH1 3.73Å; Y598-R601 HydrophobicContact CD1-CB 4.1Å; Y598-R601 HydrophobicContact CD1-CG 3.84Å; Y598-R601 HydrophobicContact CD2-CB 4.01Å; Y598-R601 HydrophobicContact CE1-CB 4.39Å; Y598-R601 HydrophobicContact CE1-CG 3.87Å; Y598-R601 HydrophobicContact CE2-CB 4.3Å; Y598-R601 HydrophobicContact CG-CB 3.89Å; Y598-R601 HydrophobicContact CG-CG 4.17Å; Y598-R601 PolarHBondContact O-N 3.4Å; L599-R601 PolarHBondContact O-N 3.03Å; R601-E603 VanDerWaalsContact C-N 3.34Å; R601-E603 PolarHBondContact O-N 2.83Å; R601-L604 PolarHBondContact O-N 2.96Å; R601-E605 HydrophobicContact CG-CG 4.44Å; R601-E605 VanDerWaalsContact CG-OE1 3.31Å; R601-E605 WeakPolarHBondContact CG-OE1 3.35Å; R601-E605 IonicContact CZ-OE1 3.86Å; R601-E605 IonicContact NE-OE1 3.04Å; R601-E605 PolarHBondContact NE-OE1 2.79Å; R601-E605 IonicContact NH2-OE1 2.95Å; R601-E605 WeakPolarHBondContact O-CB 3.38Å; R601-E605 WeakPolarHBondContact O-CG 3.44Å; R601-E605 PolarHBondContact O-N 3.46Å |
| 602 | E | 95.3 | Very high | 94.5 | Very high | 145 Ų | 145 | 54.7 Ų | 54.7 | 68% | 0.678 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -62.3 | -41.5 | -177.7 | -65.9 | 172.8 | -165.4 | 0 | 0 | 111.8 | F600 E605 N606 | F600-E602 PolarHBondContact O-N 2.94Å; E602-E605 PolarHBondContact O-N 3.03Å; E602-N606 WeakPolarHBondContact O-CB 3.48Å; E602-N606 PolarHBondContact O-N 3.08Å; E602-N606 PolarHBondContact O-ND2 3.08Å |
| 603 | E | 96.3 | Very high | 94.9 | Very high | 43 Ų | 43 | 52.5 Ų | 52.5 | 20% | 0.201 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 179 | -166.1 | 172.1 | 178.6 | 0 | 0 | 111.5 | Q568 F600 R601 N606 F607 | Q568-E603 PolarHBondContact NE2-OE1 2.89Å; F600-E603 HydrophobicContact CB-CB 4.36Å; F600-E603 WeakPolarHBondContact CD1-OE2 3.45Å; F600-E603 PolarHBondContact O-N 3.1Å; F600-E603 VanDerWaalsContact O-N 3.12Å; R601-E603 VanDerWaalsContact C-N 3.34Å; R601-E603 PolarHBondContact O-N 2.83Å; E603-N606 PolarHBondContact O-N 2.9Å; E603-F607 HydrophobicContact CG-CD2 4.41Å; E603-F607 HydrophobicContact CG-CE2 3.66Å; E603-F607 HydrophobicContact CG-CZ 3.92Å; E603-F607 WeakPolarHBondContact O-CD2 3.17Å; E603-F607 WeakPolarHBondContact O-CG 3.38Å; E603-F607 PolarHBondContact O-N 2.95Å |
| 604 | L | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 175.7 | -68.4 | 174.7 | 0 | 0 | 0 | 112.5 | I564 L567 L587 Y598 F600 R601 N606 F607 V608 L616 | I564-L604 HydrophobicContact CD1-CD2 3.77Å; I564-L604 HydrophobicContact CD1-CG 4.25Å; L567-L604 HydrophobicContact CD1-CD2 3.87Å; L587-L604 HydrophobicContact CD2-CD1 4.2Å; L587-L604 HydrophobicContact CD2-CD2 3.49Å; L587-L604 VanDerWaalsContact CD2-CD2 3.49Å; L587-L604 HydrophobicContact CD2-CG 4.47Å; Y598-L604 HydrophobicContact CE2-CD1 3.92Å; F600-L604 HydrophobicContact CB-CD1 4.45Å; F600-L604 HydrophobicContact CB-CG 4.28Å; F600-L604 WeakPolarHBondContact O-CG 3.33Å; F600-L604 PolarHBondContact O-N 3.03Å; R601-L604 PolarHBondContact O-N 2.96Å; L604-N606 VanDerWaalsContact C-N 3.28Å; L604-N606 PolarHBondContact O-N 3.07Å; L604-F607 HydrophobicContact CD2-CD2 4.38Å; L604-F607 PolarHBondContact O-N 3.38Å; L604-V608 WeakPolarHBondContact O-CG2 3.37Å; L604-V608 PolarHBondContact O-N 2.8Å; L604-V608 VanDerWaalsContact O-N 3.12Å; L604-L616 HydrophobicContact CB-CD2 4.04Å |
| 605 | E | 96.9 | Very high | 95.6 | Very high | 71 Ų | 71 | 49.7 Ų | 49.7 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.2 | -35.8 | 175.2 | -72.4 | 172.4 | -179.6 | 0 | 0 | 111.3 | R601 E602 V608 S609 | R601-E605 HydrophobicContact CG-CG 4.44Å; R601-E605 VanDerWaalsContact CG-OE1 3.31Å; R601-E605 WeakPolarHBondContact CG-OE1 3.35Å; R601-E605 IonicContact CZ-OE1 3.86Å; R601-E605 IonicContact NE-OE1 3.04Å; R601-E605 PolarHBondContact NE-OE1 2.79Å; R601-E605 IonicContact NH2-OE1 2.95Å; R601-E605 WeakPolarHBondContact O-CB 3.38Å; R601-E605 WeakPolarHBondContact O-CG 3.44Å; R601-E605 PolarHBondContact O-N 3.46Å; E602-E605 PolarHBondContact O-N 3.03Å; E605-V608 PolarHBondContact O-N 2.8Å; E605-S609 PolarHBondContact O-N 2.88Å; E605-S609 PolarHBondContact O-OG 2.93Å |
| 606 | N | 97.8 | Very high | 96 | Very high | 104 Ų | 104 | 46.5 Ų | 46.5 | 56% | 0.556 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -65.7 | -42.4 | 173.1 | -72.9 | -23.2 | 0 | 0 | 0 | 112.3 | E602 E603 L604 V608 S609 S610 | E602-N606 WeakPolarHBondContact O-CB 3.48Å; E602-N606 PolarHBondContact O-N 3.08Å; E602-N606 PolarHBondContact O-ND2 3.08Å; E603-N606 PolarHBondContact O-N 2.9Å; L604-N606 VanDerWaalsContact C-N 3.28Å; L604-N606 PolarHBondContact O-N 3.07Å; N606-V608 VanDerWaalsContact C-N 3.26Å; N606-V608 PolarHBondContact O-N 2.96Å; N606-S609 PolarHBondContact O-N 3.12Å; N606-S609 VanDerWaalsContact O-N 3.13Å; N606-S610 PolarHBondContact O-N 2.72Å; N606-S610 PolarHBondContact O-OG 3.26Å |
| 607 | F | 98.3 | Very high | 96.4 | Very high | 4 Ų | 4 | 47.3 Ų | 47.3 | 2% | 0.018 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.4 | -32.3 | 175.3 | -68 | -47 | 0 | 0 | 0 | 113.1 | L567 Q568 E571 E603 L604 S610 G611 T612 L613 | L567-F607 HydrophobicContact CB-CD1 4.35Å; L567-F607 HydrophobicContact CB-CD2 3.69Å; L567-F607 HydrophobicContact CB-CE1 4.26Å; L567-F607 HydrophobicContact CB-CE2 3.55Å; L567-F607 HydrophobicContact CB-CG 4.1Å; L567-F607 HydrophobicContact CB-CZ 3.88Å; L567-F607 HydrophobicContact CD1-CD2 3.69Å; L567-F607 HydrophobicContact CD1-CE2 4.12Å; L567-F607 HydrophobicContact CD1-CG 4.4Å; L567-F607 HydrophobicContact CG-CD2 4.22Å; L567-F607 HydrophobicContact CG-CE2 4.46Å; Q568-F607 HydrophobicContact CG-CZ 3.81Å; E571-F607 HydrophobicContact CB-CE1 4.26Å; E603-F607 HydrophobicContact CG-CD2 4.41Å; E603-F607 HydrophobicContact CG-CE2 3.66Å; E603-F607 HydrophobicContact CG-CZ 3.92Å; E603-F607 WeakPolarHBondContact O-CD2 3.17Å; E603-F607 WeakPolarHBondContact O-CG 3.38Å; E603-F607 PolarHBondContact O-N 2.95Å; L604-F607 HydrophobicContact CD2-CD2 4.38Å; L604-F607 PolarHBondContact O-N 3.38Å; F607-S610 PolarHBondContact O-OG 2.9Å; F607-G611 PolarHBondContact O-N 3.22Å; F607-T612 HydrophobicContact CD1-CG2 4.15Å; F607-T612 PolarHBondContact O-N 3.4Å; F607-L613 HydrophobicContact CB-CB 3.79Å; F607-L613 PolarHBondContact O-N 3.35Å |
| 608 | V | 97.9 | Very high | 96.6 | Very high | 60 Ų | 60 | 47.9 Ų | 47.9 | 36% | 0.364 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 172.4 | 175.8 | 0 | 0 | 0 | 0 | 110.2 | L604 E605 N606 S610 G611 L613 L616 | L604-V608 WeakPolarHBondContact O-CG2 3.37Å; L604-V608 PolarHBondContact O-N 2.8Å; L604-V608 VanDerWaalsContact O-N 3.12Å; E605-V608 PolarHBondContact O-N 2.8Å; N606-V608 VanDerWaalsContact C-N 3.26Å; N606-V608 PolarHBondContact O-N 2.96Å; V608-S610 PolarHBondContact O-N 3.21Å; V608-G611 PolarHBondContact O-N 3.27Å; V608-L613 WeakPolarHBondContact CA-O 3.39Å; V608-L613 HydrophobicContact CG2-CB 4.2Å; V608-L613 HydrophobicContact CG2-CD2 3.93Å; V608-L613 HydrophobicContact CG2-CG 4.06Å; V608-L616 HydrophobicContact CG2-CB 3.67Å; V608-L616 HydrophobicContact CG2-CD2 3.88Å; V608-L616 HydrophobicContact CG2-CG 4.46Å |
| 609 | S | 97.2 | Very high | 96.6 | Very high | 104 Ų | 104 | 47.1 Ų | 47.1 | 73% | 0.727 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -65.5 | -36.4 | -179.1 | -56.3 | 0 | 0 | 0 | 0 | 112.8 | E605 N606 G611 | E605-S609 PolarHBondContact O-N 2.88Å; E605-S609 PolarHBondContact O-OG 2.93Å; N606-S609 PolarHBondContact O-N 3.12Å; N606-S609 VanDerWaalsContact O-N 3.13Å; S609-G611 PolarHBondContact O-N 2.71Å |
| 610 | S | 95.4 | Very high | 96.5 | Very high | 51 Ų | 51 | 49 Ų | 49 | 36% | 0.357 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -7.2 | 174.1 | 72.7 | 0 | 0 | 0 | 0 | 113.3 | E571 N606 F607 V608 T612 | E571-S610 WeakPolarHBondContact OE1-CB 3.46Å; E571-S610 PolarHBondContact OE1-OG 3.33Å; N606-S610 PolarHBondContact O-N 2.72Å; N606-S610 PolarHBondContact O-OG 3.26Å; F607-S610 PolarHBondContact O-OG 2.9Å; V608-S610 PolarHBondContact O-N 3.21Å; S610-T612 PolarHBondContact O-N 3.45Å; S610-T612 PolarHBondContact OG-OG1 2.91Å |
| 611 | G | 95.2 | Very high | 96.2 | Very high | 23 Ų | 23 | 49.4 Ų | 49.4 | 24% | 0.237 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114 | R574 F607 V608 S609 L613 | R574-G611 PolarHBondContact NH1-O 3.01Å; F607-G611 PolarHBondContact O-N 3.22Å; V608-G611 PolarHBondContact O-N 3.27Å; S609-G611 PolarHBondContact O-N 2.71Å; G611-L613 VanDerWaalsContact C-N 3.28Å |
| 612 | T | 96.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -60.9 | -40.4 | 173.8 | -62 | 0 | 0 | 0 | 0 | 111.1 | L567 R570 E571 T585 F607 S610 | L567-T612 HydrophobicContact CD2-CG2 4.12Å; L567-T612 WeakPolarHBondContact O-CG2 3.23Å; R570-T612 HydrophobicContact CB-CG2 4.25Å; R570-T612 HydrophobicContact CG-CG2 4.42Å; E571-T612 HydrophobicContact CB-CG2 3.86Å; E571-T612 PolarHBondContact OE1-OG1 3.35Å; T585-T612 VanDerWaalsContact CB-O 3.29Å; T585-T612 WeakPolarHBondContact CB-O 3.24Å; T585-T612 PolarHBondContact OG1-O 3.06Å; F607-T612 HydrophobicContact CD1-CG2 4.15Å; F607-T612 PolarHBondContact O-N 3.4Å; S610-T612 PolarHBondContact O-N 3.45Å; S610-T612 PolarHBondContact OG-OG1 2.91Å |
| 613 | L | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -106.8 | 107 | 174.1 | -179.6 | 58.7 | 0 | 0 | 0 | 109.6 | M553 L567 T585 L587 F607 V608 G611 L616 | M553-L613 HydrophobicContact CE-CD1 4.44Å; L567-L613 HydrophobicContact CD1-CD2 4.3Å; L567-L613 HydrophobicContact CD2-CB 4.04Å; L567-L613 HydrophobicContact CD2-CD1 4.2Å; T585-L613 HydrophobicContact CG2-CD1 4Å; L587-L613 HydrophobicContact CB-CD1 3.71Å; L587-L613 HydrophobicContact CB-CD2 4.03Å; L587-L613 HydrophobicContact CD2-CD2 4.25Å; F607-L613 HydrophobicContact CB-CB 3.79Å; F607-L613 PolarHBondContact O-N 3.35Å; V608-L613 WeakPolarHBondContact CA-O 3.39Å; V608-L613 HydrophobicContact CG2-CB 4.2Å; V608-L613 HydrophobicContact CG2-CD2 3.93Å; V608-L613 HydrophobicContact CG2-CG 4.06Å; G611-L613 VanDerWaalsContact C-N 3.28Å; L613-L616 HydrophobicContact CD2-CB 3.85Å; L613-L616 HydrophobicContact CD2-CD1 4.05Å; L613-L616 HydrophobicContact CD2-CD2 4.37Å; L613-L616 HydrophobicContact CD2-CG 4.31Å; L613-L616 HydrophobicContact CG-CB 4.41Å |
| 614 | N | 97.7 | Very high | 93.8 | Very high | 68 Ų | 68 | 51.5 Ų | 51.5 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -73 | -36.9 | -177.1 | -59.2 | 92.8 | 0 | 0 | 0 | 112.2 | E584 T585 | E584-N614 WeakPolarHBondContact CA-OD1 3.48Å; T585-N614 PolarHBondContact N-OD1 2.98Å; T585-N614 WeakPolarHBondContact O-CB 3.33Å; T585-N614 PolarHBondContact O-N 3.37Å |
| 615 | H | 97.9 | Very high | 92.1 | Very high | 62 Ų | 62 | 60.8 Ų | 60.8 | 29% | 0.287 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 113.4 | -175.9 | -59.7 | -77.3 | 0 | 0 | 0 | 111.4 | T585 W586 L587 | T585-H615 PolarHBondContact O-N 3.28Å; T585-H615 VanDerWaalsContact O-N 3.17Å; W586-H615 WeakPolarHBondContact CA-O 3.44Å; W586-H615 AromaticContact CD1-CD2 3.9Å; W586-H615 HydrophobicContact CD2-CB 3.48Å; W586-H615 VanDerWaalsContact CD2-CB 3.48Å; W586-H615 AromaticContact CD2-CD2 3.63Å; W586-H615 AromaticContact CD2-CG 3.7Å; W586-H615 AromaticContact CE2-CD2 3.06Å; W586-H615 AromaticContact CE2-CG 3.53Å; W586-H615 AromaticContact CE2-NE2 3.78Å; W586-H615 HydrophobicContact CE3-CB 3.43Å; W586-H615 VanDerWaalsContact CE3-CB 3.43Å; W586-H615 AromaticContact CE3-CG 3.87Å; W586-H615 HydrophobicContact CG-CB 3.99Å; W586-H615 HydrophobicContact CH2-CB 4.18Å; W586-H615 AromaticContact CH2-CD2 3.89Å; W586-H615 AromaticContact CH2-CG 3.72Å; W586-H615 AromaticContact CH2-ND1 3.96Å; W586-H615 HydrophobicContact CZ2-CB 4.23Å; W586-H615 AromaticContact CZ2-CD2 3.22Å; W586-H615 WeakPolarHBondContact CZ2-CD2 3.46Å; W586-H615 AromaticContact CZ2-CE1 3.95Å; W586-H615 AromaticContact CZ2-CG 3.55Å; W586-H615 AromaticContact CZ2-NE2 3.5Å; W586-H615 WeakPolarHBondContact CZ2-NE2 3.3Å; W586-H615 HydrophobicContact CZ3-CB 3.81Å; W586-H615 AromaticContact CZ3-CG 3.89Å; W586-H615 AromaticContact NE1-CD2 3.26Å; W586-H615 PolarHBondContact NE1-CD2 2.79Å; W586-H615 VanDerWaalsContact NE1-CD2 3.26Å; W586-H615 AromaticContact NE1-NE2 4Å; L587-H615 PolarHBondContact N-O 2.95Å |
| 616 | L | 97.9 | Very high | 89.8 | Confident | 39 Ų | 39 | 65.4 Ų | 65.4 | 20% | 0.204 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 114.2 | 171.2 | 179.2 | 55.1 | 0 | 0 | 0 | 109.3 | L587 Y598 L604 V608 L613 V618 | L587-L616 HydrophobicContact CB-CD1 4.22Å; L587-L616 HydrophobicContact CD2-CD1 3.93Å; L587-L616 HydrophobicContact CG-CD1 4.16Å; Y598-L616 WeakPolarHBondContact OH-CD2 3.29Å; L604-L616 HydrophobicContact CB-CD2 4.04Å; V608-L616 HydrophobicContact CG2-CB 3.67Å; V608-L616 HydrophobicContact CG2-CD2 3.88Å; V608-L616 HydrophobicContact CG2-CG 4.46Å; L613-L616 HydrophobicContact CD2-CB 3.85Å; L613-L616 HydrophobicContact CD2-CD1 4.05Å; L613-L616 HydrophobicContact CD2-CD2 4.37Å; L613-L616 HydrophobicContact CD2-CG 4.31Å; L613-L616 HydrophobicContact CG-CB 4.41Å; L616-V618 HydrophobicContact CD1-CG2 4Å; L616-V618 HydrophobicContact CG-CG2 3.91Å |
| 617 | K | 97.3 | Very high | 87.3 | Confident | 74 Ų | 74 | 67.6 Ų | 67.6 | 32% | 0.322 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 110.4 | 177.8 | -60.4 | -58.3 | -178.2 | -176.6 | 0 | 109.2 | L587 F588 F589 N643 | L587-K617 PolarHBondContact O-N 3.28Å; F588-K617 CarbonylContact C-O 3.25Å; F588-K617 WeakPolarHBondContact CA-O 3.47Å; F588-K617 HydrophobicContact CD1-CB 3.7Å; F588-K617 HydrophobicContact CD1-CG 4.15Å; F588-K617 HydrophobicContact CE1-CB 3.9Å; F588-K617 HydrophobicContact CE1-CG 3.82Å; F588-K617 HydrophobicContact CG-CB 4.38Å; F588-K617 HydrophobicContact CZ-CG 4.31Å; F589-K617 PolarHBondContact N-O 3.21Å; K617-N643 HydrophobicContact CB-CB 4.28Å |
| 618 | V | 95.6 | Very high | 84.7 | Confident | 35 Ų | 35 | 73.1 Ų | 73.1 | 21% | 0.212 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 138 | -176.8 | -170.3 | 0 | 0 | 0 | 0 | 109.9 | F589 Y598 L616 F620 N643 | F589-V618 HydrophobicContact CD1-CG1 3.99Å; F589-V618 CarbonylContact O-C 3.55Å; F589-V618 VanDerWaalsContact O-CA 3.28Å; F589-V618 WeakPolarHBondContact O-CA 3.28Å; Y598-V618 HydrophobicContact CE1-CG1 4.25Å; Y598-V618 HydrophobicContact CE1-CG2 4.21Å; Y598-V618 HydrophobicContact CE2-CG2 4.39Å; Y598-V618 WeakPolarHBondContact OH-CG2 3.36Å; L616-V618 HydrophobicContact CD1-CG2 4Å; L616-V618 HydrophobicContact CG-CG2 3.91Å; V618-F620 HydrophobicContact CB-CZ 4.19Å; V618-F620 HydrophobicContact CG1-CD1 4.27Å; V618-F620 HydrophobicContact CG1-CE1 3.5Å; V618-F620 HydrophobicContact CG1-CE2 4.08Å; V618-F620 HydrophobicContact CG1-CZ 3.39Å; V618-N643 PolarHBondContact O-ND2 2.83Å |
| 619 | C | 93.6 | Very high | 82.2 | Confident | 4 Ų | 4 | 80.3 Ų | 80.3 | 3% | 0.027 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 139.2 | 170.4 | 57.9 | 0 | 0 | 0 | 0 | 111.6 | F589 G590 C591 P637 Y639 V640 | F589-C619 PolarHBondContact O-N 3.43Å; F589-C619 PolarHBondContact O-SG 3.05Å; G590-C619 WeakPolarHBondContact CA-O 3.38Å; G590-C619 WeakPolarHBondContact CA-SG 3.38Å; C591-C619 PolarHBondContact N-O 3.13Å; C619-P637 WeakPolarHBondContact CB-O 3.31Å; C619-Y639 VanDerWaalsContact SG-CA 3.56Å; C619-V640 PolarHBondContact SG-N 3.16Å; C619-V640 VanDerWaalsContact SG-N 3.36Å |
| 620 | F | 93.4 | Very high | 79.8 | Confident | 43 Ų | 43 | 82.2 Ų | 82.2 | 19% | 0.189 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 110.7 | 178.9 | -53 | -68.9 | 0 | 0 | 0 | 109.5 | C591 R594 Y598 V618 R622 E623 | C591-F620 WeakPolarHBondContact O-CA 3.37Å; C591-F620 WeakPolarHBondContact SG-CD1 3.45Å; C591-F620 VanDerWaalsContact SG-CE1 3.51Å; R594-F620 HydrophobicContact CB-CD1 3.98Å; R594-F620 HydrophobicContact CB-CE1 3.56Å; R594-F620 HydrophobicContact CB-CE2 4.15Å; R594-F620 HydrophobicContact CB-CG 4.46Å; R594-F620 HydrophobicContact CB-CZ 3.65Å; R594-F620 HydrophobicContact CG-CE1 3.91Å; R594-F620 HydrophobicContact CG-CE2 4.28Å; R594-F620 HydrophobicContact CG-CZ 3.61Å; Y598-F620 HydrophobicContact CD1-CE1 4.15Å; Y598-F620 HydrophobicContact CD1-CZ 4.28Å; Y598-F620 HydrophobicContact CE1-CZ 4.42Å; V618-F620 HydrophobicContact CB-CZ 4.19Å; V618-F620 HydrophobicContact CG1-CD1 4.27Å; V618-F620 HydrophobicContact CG1-CE1 3.5Å; V618-F620 HydrophobicContact CG1-CE2 4.08Å; V618-F620 HydrophobicContact CG1-CZ 3.39Å; F620-R622 VanDerWaalsContact C-N 3.34Å; F620-R622 PolarHBondContact O-N 3.02Å; F620-E623 HydrophobicContact CB-CB 3.83Å; F620-E623 WeakPolarHBondContact CB-OE2 3.45Å; F620-E623 WeakPolarHBondContact CD2-OE2 3.5Å; F620-E623 WeakPolarHBondContact CG-OE2 3.41Å |
| 621 | S | 88.8 | Confident | 77.3 | Confident | 25 Ų | 25 | 84.6 Ų | 84.6 | 18% | 0.175 | 41% | 0.41 | C | S | . | . | S | Bend | trans | -76.8 | -17.9 | -169.5 | 55 | 0 | 0 | 0 | 0 | 114.6 | C591 R592 R638 | C591-S621 PolarHBondContact O-N 3.47Å; C591-S621 PolarHBondContact O-OG 3.45Å; C591-S621 VanDerWaalsContact O-OG 3.08Å; R592-S621 WeakPolarHBondContact CA-OG 3.4Å; R592-S621 PolarHBondContact O-N 3.3Å; S621-R638 WeakPolarHBondContact CA-O 3.04Å |
| 622 | R | 85.9 | Confident | 74.9 | Confident | 115 Ų | 115 | 90.3 Ų | 90.3 | 43% | 0.434 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -129.8 | 3.2 | -173.1 | -58.9 | -170 | -179.8 | -161.4 | -6.4 | 114.6 | R592 Y593 F620 D624 | R592-R622 HydrophobicContact CB-CB 4.32Å; R592-R622 HydrophobicContact CB-CG 4.16Å; R592-R622 HydrophobicContact CG-CG 4.3Å; R592-R622 PolarHBondContact O-N 3.09Å; Y593-R622 HydrophobicContact CD1-CB 4.32Å; Y593-R622 HydrophobicContact CE1-CB 3.67Å; Y593-R622 WeakPolarHBondContact CE1-O 3.37Å; Y593-R622 HydrophobicContact CE2-CB 3.95Å; Y593-R622 VanDerWaalsContact CZ-CB 3.45Å; F620-R622 VanDerWaalsContact C-N 3.34Å; F620-R622 PolarHBondContact O-N 3.02Å; R622-D624 PolarHBondContact O-N 3.14Å |
| 623 | E | 81.6 | Confident | 72.5 | Confident | 76 Ų | 76 | 95.3 Ų | 95.3 | 36% | 0.355 | 48% | 0.478 | S | S | . | . | trans | -69.5 | 130.1 | 178.8 | -161.5 | 157.4 | -136.6 | 0 | 0 | 110.6 | F620 | F620-E623 HydrophobicContact CB-CB 3.83Å; F620-E623 WeakPolarHBondContact CB-OE2 3.45Å; F620-E623 WeakPolarHBondContact CD2-OE2 3.5Å; F620-E623 WeakPolarHBondContact CG-OE2 3.41Å | ||
| 624 | D | 68.2 | Low | 70.3 | Confident | 122 Ų | 122 | 99.5 Ų | 99.5 | 65% | 0.652 | 51% | 0.513 | S | S | * | . | trans | -75.7 | 142.4 | -179.2 | -76.1 | -34.7 | 0 | 0 | 0 | 110.8 | R622 K626 | R622-D624 PolarHBondContact O-N 3.14Å; D624-K626 VanDerWaalsContact C-N 3.31Å; D624-K626 HydrophobicContact CB-CG 4.16Å; D624-K626 PolarHBondContact O-N 3.48Å | ||
| 625 | R | 63.3 | Low | 68.5 | Low | 195 Ų | 195 | 100.4 Ų | 100.4 | 74% | 0.736 | 53% | 0.529 | S | S | * | . | trans | -72.8 | 80.3 | 174.8 | -61.1 | 177.8 | -176.9 | 174 | 0.1 | 109.8 | ||||
| 626 | K | 48.5 | Very low | 67 | Low | 167 Ų | 167 | 103.3 Ų | 103.3 | 73% | 0.726 | 54% | 0.543 | S | S | * | . | trans | -96 | -19.2 | -179.5 | -73.5 | -171.2 | 178.3 | 178.6 | 0 | 114.7 | D624 | D624-K626 VanDerWaalsContact C-N 3.31Å; D624-K626 HydrophobicContact CB-CG 4.16Å; D624-K626 PolarHBondContact O-N 3.48Å | ||
| 627 | D | 45.6 | Very low | 66.1 | Low | 151 Ų | 151 | 103.1 Ų | 103.1 | 81% | 0.807 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -133.7 | 63.1 | -168.5 | -60.2 | -39.4 | 0 | 0 | 0 | 114.2 | ||
| 628 | E | 44.1 | Very low | 65.6 | Low | 120 Ų | 120 | 105.3 Ų | 105.3 | 56% | 0.561 | 55% | 0.551 | S | S | * | * | trans | -143.5 | 105.7 | 162.2 | -69.6 | -174.9 | -177.1 | 0 | 0 | 111.3 | E630 Q636 | E628-E630 HydrophobicContact CB-CB 4.28Å; E628-E630 PolarHBondContact O-N 3.18Å; E628-Q636 PolarHBondContact OE1-NE2 3.1Å | ||
| 629 | E | 45 | Very low | 65.5 | Low | 211 Ų | 211 | 109.4 Ų | 109.4 | 99% | 0.986 | 56% | 0.563 | S | S | * | * | trans | -68.6 | 14 | 157.6 | -69.8 | -177.9 | 151.5 | 0 | 0 | 111.9 | ||||
| 630 | E | 45.5 | Very low | 65.6 | Low | 144 Ų | 144 | 109.4 Ų | 109.4 | 67% | 0.673 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -91.2 | 145.9 | -179.8 | -69.9 | -162 | 166.3 | 0 | 0 | 112.2 | E628 | E628-E630 HydrophobicContact CB-CB 4.28Å; E628-E630 PolarHBondContact O-N 3.18Å |
| 631 | P | 44.3 | Very low | 65.6 | Low | 101 Ų | 101 | 108.3 Ų | 108.3 | 66% | 0.656 | 56% | 0.559 | S | S | * | * | trans | -62.6 | 154.7 | -177.3 | 25.5 | -33.2 | 0 | 0 | 0 | 112.1 | S633 | P631-S633 PolarHBondContact O-N 3.33Š| ||
| 632 | P | 45.2 | Very low | 65.9 | Low | 142 Ų | 142 | 110.6 Ų | 110.6 | 92% | 0.922 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -78.2 | 62.8 | -172 | 34.1 | -36.6 | 0 | 0 | 0 | 112.2 | ||
| 633 | S | 45.5 | Very low | 66.2 | Low | 107 Ų | 107 | 105.8 Ų | 105.8 | 75% | 0.748 | 55% | 0.549 | S | S | * | . | trans | -114.8 | 5 | -174.4 | 82.1 | 0 | 0 | 0 | 0 | 117.1 | P631 | P631-S633 PolarHBondContact O-N 3.33Š| ||
| 634 | A | 51.3 | Low | 66.9 | Low | 88 Ų | 88 | 102.1 Ų | 102.1 | 73% | 0.727 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -155 | 121.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q636 | A634-Q636 PolarHBondContact O-N 2.92Š|
| 635 | A | 59.5 | Low | 68.1 | Low | 87 Ų | 87 | 100.5 Ų | 100.5 | 72% | 0.719 | 52% | 0.523 | S | S | * | . | trans | -64.9 | 118.2 | 174 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 636 | Q | 66.5 | Low | 69.6 | Low | 123 Ų | 123 | 97 Ų | 97 | 58% | 0.575 | 52% | 0.518 | S | S | * | . | trans | -56 | 140.4 | 175.9 | -81.3 | -170 | -1 | 0 | 0 | 111.5 | E628 A634 R638 | E628-Q636 PolarHBondContact OE1-NE2 3.1Å; A634-Q636 PolarHBondContact O-N 2.92Å; Q636-R638 PolarHBondContact O-N 3.47Å; Q636-R638 VanDerWaalsContact O-N 3.12Å | ||
| 637 | P | 79.4 | Confident | 71.7 | Confident | 35 Ų | 35 | 89.5 Ų | 89.5 | 23% | 0.227 | 49% | 0.486 | C | S | . | . | trans | -70 | 106.9 | -175.7 | 27.2 | -33.7 | 0 | 0 | 0 | 111.7 | C619 H642 N643 L646 | C619-P637 WeakPolarHBondContact CB-O 3.31Å; P637-H642 HydrophobicContact CB-CB 3.5Å; P637-H642 VanDerWaalsContact CB-CB 3.5Å; P637-N643 VanDerWaalsContact CB-OD1 3.31Å; P637-N643 WeakPolarHBondContact CB-OD1 3.48Å; P637-N643 WeakPolarHBondContact CG-OD1 3.33Å; P637-L646 HydrophobicContact CB-CD1 4.11Å; P637-L646 HydrophobicContact CG-CD1 3.89Å | ||
| 638 | R | 87.4 | Confident | 74 | Confident | 121 Ų | 121 | 83.1 Ų | 83.1 | 46% | 0.457 | 45% | 0.453 | S | S | . | . | trans | -78.8 | -24.7 | 178.6 | -71.4 | -173.2 | 170.5 | -169 | -5.2 | 116.3 | S621 Q636 H642 | S621-R638 WeakPolarHBondContact CA-O 3.04Å; Q636-R638 PolarHBondContact O-N 3.47Å; Q636-R638 VanDerWaalsContact O-N 3.12Å; R638-H642 PolarHBondContact N-ND1 3.38Å | ||
| 639 | Y | 93.1 | Very high | 76.4 | Confident | 120 Ų | 120 | 86.2 Ų | 86.2 | 47% | 0.471 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -136.1 | 162.4 | -175.3 | -59.6 | -68.1 | 0 | 0 | 0 | 110 | C619 Q641 H642 | C619-Y639 VanDerWaalsContact SG-CA 3.56Å; Y639-Q641 VanDerWaalsContact CB-CD 3.41Å; Y639-Q641 PolarHBondContact O-N 3.08Å; Y639-H642 AromaticContact CD2-CE1 3.68Å; Y639-H642 PolarHBondContact N-ND1 3.44Å; Y639-H642 WeakPolarHBondContact O-CB 3.34Å; Y639-H642 PolarHBondContact O-N 2.91Å |
| 640 | V | 94.9 | Very high | 78.8 | Confident | 4 Ų | 4 | 80.7 Ų | 80.7 | 2% | 0.024 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59.9 | -35.3 | -173.5 | -66.6 | 0 | 0 | 0 | 0 | 112.1 | I554 P556 F588 C619 H642 N643 L644 M671 V675 | I554-V640 HydrophobicContact CG2-CB 4.12Å; I554-V640 HydrophobicContact CG2-CG2 3.87Å; P556-V640 HydrophobicContact CB-CG1 4.16Å; P556-V640 HydrophobicContact CG-CG1 4.3Å; P556-V640 HydrophobicContact CG-CG2 4.42Å; F588-V640 HydrophobicContact CB-CB 4.47Å; C619-V640 PolarHBondContact SG-N 3.16Å; C619-V640 VanDerWaalsContact SG-N 3.36Å; V640-H642 VanDerWaalsContact C-N 3.28Å; V640-H642 PolarHBondContact O-N 2.64Å; V640-N643 PolarHBondContact O-N 2.94Å; V640-L644 WeakPolarHBondContact O-CG 3.38Å; V640-L644 PolarHBondContact O-N 2.99Å; V640-M671 HydrophobicContact CG2-CG 4.34Å; V640-M671 HydrophobicContact CG2-SD 4.5Å; V640-V675 HydrophobicContact CG2-CG2 3.87Å |
| 641 | Q | 94.4 | Very high | 81.2 | Confident | 21 Ų | 21 | 73.8 Ų | 73.8 | 10% | 0.098 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -58.8 | -35.7 | 174.4 | 57.5 | -90.3 | 39.4 | 0 | 0 | 113.6 | Y639 L644 L645 D674 T678 | Y639-Q641 VanDerWaalsContact CB-CD 3.41Å; Y639-Q641 PolarHBondContact O-N 3.08Å; Q641-L644 WeakPolarHBondContact O-CB 3.48Å; Q641-L644 PolarHBondContact O-N 3.3Å; Q641-L645 WeakPolarHBondContact O-CG 3.35Å; Q641-L645 PolarHBondContact O-N 2.85Å; Q641-D674 PolarHBondContact NE2-OD2 2.98Å; Q641-T678 HydrophobicContact CB-CG2 4.09Å; Q641-T678 WeakPolarHBondContact CB-OG1 3.2Å |
| 642 | H | 93.6 | Very high | 83.7 | Confident | 73 Ų | 73 | 69.3 Ų | 69.3 | 34% | 0.338 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 178 | -57 | 147.9 | 0 | 0 | 0 | 110.9 | P637 R638 Y639 V640 L644 L645 L646 | P637-H642 HydrophobicContact CB-CB 3.5Å; P637-H642 VanDerWaalsContact CB-CB 3.5Å; R638-H642 PolarHBondContact N-ND1 3.38Å; Y639-H642 AromaticContact CD2-CE1 3.68Å; Y639-H642 PolarHBondContact N-ND1 3.44Å; Y639-H642 WeakPolarHBondContact O-CB 3.34Å; Y639-H642 PolarHBondContact O-N 2.91Å; V640-H642 VanDerWaalsContact C-N 3.28Å; V640-H642 PolarHBondContact O-N 2.64Å; H642-L644 VanDerWaalsContact C-N 3.32Å; H642-L644 PolarHBondContact O-N 2.92Å; H642-L645 PolarHBondContact O-N 3.42Å; H642-L646 WeakPolarHBondContact O-CG 3.42Å; H642-L646 PolarHBondContact O-N 3.49Å; H642-L646 VanDerWaalsContact O-N 3.09Å |
| 643 | N | 93.9 | Very high | 86.1 | Confident | 13 Ų | 13 | 65.2 Ų | 65.2 | 7% | 0.07 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.5 | -35.3 | 174.7 | -86.5 | -28.1 | 0 | 0 | 0 | 112.3 | F588 K617 V618 P637 V640 L646 C647 | F588-N643 HydrophobicContact CD1-CB 3.75Å; F588-N643 HydrophobicContact CE1-CB 3.98Å; K617-N643 HydrophobicContact CB-CB 4.28Å; V618-N643 PolarHBondContact O-ND2 2.83Å; P637-N643 VanDerWaalsContact CB-OD1 3.31Å; P637-N643 WeakPolarHBondContact CB-OD1 3.48Å; P637-N643 WeakPolarHBondContact CG-OD1 3.33Å; V640-N643 PolarHBondContact O-N 2.94Å; N643-L646 PolarHBondContact O-N 3.48Å; N643-C647 PolarHBondContact O-N 3.43Å; N643-C647 VanDerWaalsContact O-N 3.08Å; N643-C647 PolarHBondContact O-SG 3.22Å; N643-C647 VanDerWaalsContact O-SG 3.32Å |
| 644 | L | 95.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 174.3 | -72.5 | 170 | 0 | 0 | 0 | 111.5 | I554 F588 V640 Q641 H642 L646 C647 C648 V651 V675 T678 M682 | I554-L644 HydrophobicContact CD1-CD1 3.74Å; I554-L644 HydrophobicContact CD1-CD2 3.91Å; I554-L644 HydrophobicContact CD1-CG 4.43Å; I554-L644 HydrophobicContact CG1-CD1 4.4Å; I554-L644 HydrophobicContact CG1-CD2 4.26Å; F588-L644 HydrophobicContact CD1-CD2 3.95Å; F588-L644 HydrophobicContact CD1-CG 4.14Å; F588-L644 HydrophobicContact CD2-CD2 3.83Å; F588-L644 HydrophobicContact CE1-CD2 3.84Å; F588-L644 HydrophobicContact CE1-CG 4.26Å; F588-L644 HydrophobicContact CE2-CD2 3.72Å; F588-L644 HydrophobicContact CG-CD2 3.95Å; F588-L644 HydrophobicContact CG-CG 4.4Å; F588-L644 HydrophobicContact CZ-CD2 3.73Å; V640-L644 WeakPolarHBondContact O-CG 3.38Å; V640-L644 PolarHBondContact O-N 2.99Å; Q641-L644 WeakPolarHBondContact O-CB 3.48Å; Q641-L644 PolarHBondContact O-N 3.3Å; H642-L644 VanDerWaalsContact C-N 3.32Å; H642-L644 PolarHBondContact O-N 2.92Å; L644-L646 VanDerWaalsContact C-N 3.35Å; L644-L646 PolarHBondContact O-N 3.16Å; L644-C647 CarbonylContact O-C 3.59Å; L644-C647 VanDerWaalsContact O-C 3.25Å; L644-C647 PolarHBondContact O-N 3.12Å; L644-C647 VanDerWaalsContact O-N 3.11Å; L644-C648 WeakPolarHBondContact O-CA 3.48Å; L644-C648 PolarHBondContact O-N 2.85Å; L644-V651 HydrophobicContact CD2-CG2 4.36Å; L644-V675 HydrophobicContact CD1-CG1 4.09Å; L644-V675 HydrophobicContact CD1-CG2 4.34Å; L644-T678 HydrophobicContact CB-CG2 4.07Å; L644-M682 HydrophobicContact CB-SD 3.97Å |
| 645 | L | 94.1 | Very high | 90.6 | Very high | 88 Ų | 88 | 56 Ų | 56 | 46% | 0.461 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62 | -40.4 | 175.9 | -70 | 170.9 | 0 | 0 | 0 | 112.3 | Q641 H642 C647 C648 T678 M682 | Q641-L645 WeakPolarHBondContact O-CG 3.35Å; Q641-L645 PolarHBondContact O-N 2.85Å; H642-L645 PolarHBondContact O-N 3.42Å; L645-C647 PolarHBondContact O-N 3.04Å; L645-C648 WeakPolarHBondContact O-CB 3.48Å; L645-C648 PolarHBondContact O-N 3.13Å; L645-T678 HydrophobicContact CD1-CG2 4.44Å; L645-T678 HydrophobicContact CD2-CG2 3.83Å; L645-T678 HydrophobicContact CG-CG2 3.73Å; L645-M682 HydrophobicContact CD2-CG 4.03Å |
| 646 | L | 93.1 | Very high | 92.2 | Very high | 120 Ų | 120 | 54.3 Ų | 54.3 | 63% | 0.628 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -64.2 | -29.2 | 175.4 | -68.3 | 174.5 | 0 | 0 | 0 | 112.7 | P637 H642 N643 L644 | P637-L646 HydrophobicContact CB-CD1 4.11Å; P637-L646 HydrophobicContact CG-CD1 3.89Å; H642-L646 WeakPolarHBondContact O-CG 3.42Å; H642-L646 PolarHBondContact O-N 3.49Å; H642-L646 VanDerWaalsContact O-N 3.09Å; N643-L646 PolarHBondContact O-N 3.48Å; L644-L646 VanDerWaalsContact C-N 3.35Å; L644-L646 PolarHBondContact O-N 3.16Å |
| 647 | C | 94.3 | Very high | 93.5 | Very high | 10 Ų | 10 | 58.1 Ų | 58.1 | 7% | 0.068 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 23.2 | 178.1 | -54.2 | 0 | 0 | 0 | 0 | 112.2 | W586 F588 N643 L644 L645 R649 Q650 V651 | W586-C647 HydrophobicContact CZ3-CB 4.03Å; F588-C647 HydrophobicContact CE1-CB 4.33Å; F588-C647 HydrophobicContact CZ-CB 4.08Å; N643-C647 PolarHBondContact O-N 3.43Å; N643-C647 VanDerWaalsContact O-N 3.08Å; N643-C647 PolarHBondContact O-SG 3.22Å; N643-C647 VanDerWaalsContact O-SG 3.32Å; L644-C647 CarbonylContact O-C 3.59Å; L644-C647 VanDerWaalsContact O-C 3.25Å; L644-C647 PolarHBondContact O-N 3.12Å; L644-C647 VanDerWaalsContact O-N 3.11Å; L645-C647 PolarHBondContact O-N 3.04Å; C647-R649 PolarHBondContact O-N 3.28Å; C647-Q650 PolarHBondContact O-N 2.94Å; C647-Q650 PolarHBondContact O-OE1 3.35Å; C647-V651 HydrophobicContact CB-CG2 4.16Å; C647-V651 WeakPolarHBondContact O-CG2 3.41Å; C647-V651 PolarHBondContact O-N 3.37Å |
| 648 | C | 93.8 | Very high | 94.3 | Very high | 17 Ų | 17 | 60.5 Ų | 60.5 | 12% | 0.115 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -52.7 | -54.2 | -168 | 173.5 | 0 | 0 | 0 | 0 | 112.4 | L644 L645 Q650 V651 T652 M682 E686 | L644-C648 WeakPolarHBondContact O-CA 3.48Å; L644-C648 PolarHBondContact O-N 2.85Å; L645-C648 WeakPolarHBondContact O-CB 3.48Å; L645-C648 PolarHBondContact O-N 3.13Å; C648-Q650 PolarHBondContact O-N 3.41Å; C648-V651 PolarHBondContact O-N 3.14Å; C648-T652 WeakPolarHBondContact O-CG2 3.26Å; C648-T652 PolarHBondContact O-N 3.28Å; C648-T652 PolarHBondContact O-OG1 3.17Å; C648-M682 HydrophobicContact CB-CE 4.31Å; C648-M682 HydrophobicContact CB-CG 4.17Å; C648-E686 VanDerWaalsContact SG-CG 3.59Å; C648-E686 PolarHBondContact SG-OE1 3.07Å; C648-E686 VanDerWaalsContact SG-OE1 3.37Å |
| 649 | R | 94.2 | Very high | 94.6 | Very high | 185 Ų | 185 | 59.1 Ų | 59.1 | 70% | 0.698 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -57.3 | -44.2 | -178.8 | -73.8 | -180 | 177.5 | 179.6 | 1.5 | 113.3 | C647 T652 D653 E686 | C647-R649 PolarHBondContact O-N 3.28Å; R649-T652 PolarHBondContact O-OG1 3.43Å; R649-D653 VanDerWaalsContact O-CB 3.25Å; R649-D653 WeakPolarHBondContact O-CB 3.22Å; R649-D653 PolarHBondContact O-N 3.43Å; R649-E686 WeakPolarHBondContact CG-OE1 3.28Å |
| 650 | Q | 95.9 | Very high | 94.7 | Very high | 95 Ų | 95 | 53.4 Ų | 53.4 | 44% | 0.444 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.4 | -44.5 | -178.1 | -63.3 | 91.1 | -30.7 | 0 | 0 | 111.1 | W586 C647 C648 D653 I654 | W586-Q650 HydrophobicContact CH2-CB 3.85Å; W586-Q650 HydrophobicContact CH2-CG 4.12Å; W586-Q650 HydrophobicContact CZ2-CB 3.91Å; W586-Q650 HydrophobicContact CZ2-CG 4.32Å; C647-Q650 PolarHBondContact O-N 2.94Å; C647-Q650 PolarHBondContact O-OE1 3.35Å; C648-Q650 PolarHBondContact O-N 3.41Å; Q650-D653 PolarHBondContact O-N 2.88Å; Q650-I654 VanDerWaalsContact O-CG1 3.3Å; Q650-I654 WeakPolarHBondContact O-CG1 3.48Å; Q650-I654 PolarHBondContact O-N 3.11Å |
| 651 | V | 96.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.9 | -43.4 | -179.6 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | F588 L644 C647 C648 I654 L655 L679 M682 | F588-V651 HydrophobicContact CE2-CG2 4.13Å; F588-V651 HydrophobicContact CZ-CG2 3.89Å; L644-V651 HydrophobicContact CD2-CG2 4.36Å; C647-V651 HydrophobicContact CB-CG2 4.16Å; C647-V651 WeakPolarHBondContact O-CG2 3.41Å; C647-V651 PolarHBondContact O-N 3.37Å; C648-V651 PolarHBondContact O-N 3.14Å; V651-I654 WeakPolarHBondContact O-CB 3.4Å; V651-I654 PolarHBondContact O-N 3.41Å; V651-L655 HydrophobicContact CG1-CD1 4.02Å; V651-L655 VanDerWaalsContact O-CG 3.27Å; V651-L655 WeakPolarHBondContact O-CG 3.47Å; V651-L655 PolarHBondContact O-N 3.14Å; V651-L679 HydrophobicContact CG1-CD2 4.44Å; V651-M682 HydrophobicContact CB-CE 3.6Å; V651-M682 HydrophobicContact CG1-CE 3.6Å; V651-M682 HydrophobicContact CG2-CE 4.42Å |
| 652 | T | 95.4 | Very high | 94.9 | Very high | 7 Ų | 7 | 54.8 Ų | 54.8 | 4% | 0.043 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.1 | -34.9 | 177.4 | 55.7 | 0 | 0 | 0 | 0 | 112.7 | C648 R649 I654 L655 L656 M682 E686 | C648-T652 WeakPolarHBondContact O-CG2 3.26Å; C648-T652 PolarHBondContact O-N 3.28Å; C648-T652 PolarHBondContact O-OG1 3.17Å; R649-T652 PolarHBondContact O-OG1 3.43Å; T652-I654 VanDerWaalsContact C-N 3.35Å; T652-I654 PolarHBondContact O-N 3.24Å; T652-L655 PolarHBondContact O-N 2.79Å; T652-L656 VanDerWaalsContact O-CB 3.25Å; T652-L656 WeakPolarHBondContact O-CB 3.49Å; T652-L656 VanDerWaalsContact O-CG 3.31Å; T652-L656 WeakPolarHBondContact O-CG 3.44Å; T652-L656 PolarHBondContact O-N 3.12Å; T652-M682 HydrophobicContact CG2-CB 3.86Å; T652-M682 HydrophobicContact CG2-CE 4.11Å; T652-E686 HydrophobicContact CG2-CB 4.24Å; T652-E686 HydrophobicContact CG2-CG 3.83Å; T652-E686 WeakPolarHBondContact OG1-CG 2.87Å |
| 653 | D | 96.1 | Very high | 95.1 | Very high | 55 Ų | 55 | 51.3 Ų | 51.3 | 29% | 0.294 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60 | -45.1 | 172 | 179.7 | 72.4 | 0 | 0 | 0 | 111.7 | R649 Q650 L655 R657 R658 | R649-D653 VanDerWaalsContact O-CB 3.25Å; R649-D653 WeakPolarHBondContact O-CB 3.22Å; R649-D653 PolarHBondContact O-N 3.43Å; Q650-D653 PolarHBondContact O-N 2.88Å; D653-L655 VanDerWaalsContact C-N 3.31Å; D653-L655 PolarHBondContact O-N 2.86Å; D653-R657 WeakPolarHBondContact O-CA 3.45Å; D653-R657 WeakPolarHBondContact O-CB 3.49Å; D653-R657 PolarHBondContact O-N 2.95Å; D653-R657 WeakPolarHBondContact OD1-CD 3.49Å; D653-R658 PolarHBondContact O-N 3.06Å; D653-R658 VanDerWaalsContact O-N 3.09Å; D653-R658 WeakPolarHBondContact OD2-CD 3.34Å |
| 654 | I | 96.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.2 | -47.4 | 174.4 | -73.3 | 167.9 | 0 | 0 | 0 | 110.7 | P550 V552 W586 Q650 V651 T652 G660 | P550-I654 HydrophobicContact CB-CG1 4.38Å; P550-I654 HydrophobicContact CB-CG2 4.16Å; P550-I654 HydrophobicContact CG-CG1 4.41Å; P550-I654 HydrophobicContact CG-CG2 3.99Å; V552-I654 HydrophobicContact CG2-CD1 4.15Å; V552-I654 HydrophobicContact CG2-CG2 4.11Å; W586-I654 HydrophobicContact CG-CD1 4.45Å; Q650-I654 VanDerWaalsContact O-CG1 3.3Å; Q650-I654 WeakPolarHBondContact O-CG1 3.48Å; Q650-I654 PolarHBondContact O-N 3.11Å; V651-I654 WeakPolarHBondContact O-CB 3.4Å; V651-I654 PolarHBondContact O-N 3.41Å; T652-I654 VanDerWaalsContact C-N 3.35Å; T652-I654 PolarHBondContact O-N 3.24Å; I654-G660 WeakPolarHBondContact O-CA 3.37Å; I654-G660 PolarHBondContact O-N 2.8Å |
| 655 | L | 94.7 | Very high | 95.3 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -77.6 | -35.3 | -174.9 | -62.9 | 175.8 | 0 | 0 | 0 | 114 | V651 T652 D653 I662 L679 L701 R706 | V651-L655 HydrophobicContact CG1-CD1 4.02Å; V651-L655 VanDerWaalsContact O-CG 3.27Å; V651-L655 WeakPolarHBondContact O-CG 3.47Å; V651-L655 PolarHBondContact O-N 3.14Å; T652-L655 PolarHBondContact O-N 2.79Å; D653-L655 VanDerWaalsContact C-N 3.31Å; D653-L655 PolarHBondContact O-N 2.86Å; L655-I662 HydrophobicContact CD1-CD1 4.16Å; L655-I662 HydrophobicContact CD1-CG2 4.35Å; L655-I662 HydrophobicContact CD2-CB 3.76Å; L655-I662 HydrophobicContact CD2-CG2 3.72Å; L655-L679 HydrophobicContact CD1-CD2 4.35Å; L655-L701 HydrophobicContact CB-CD1 4.37Å; L655-R706 PolarHBondContact O-NH2 3.03Å |
| 656 | L | 93.6 | Very high | 95.1 | Very high | 51 Ų | 51 | 47.1 Ų | 47.1 | 27% | 0.267 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -101.7 | -28.5 | -170.1 | -58 | 177.7 | 0 | 0 | 0 | 112.8 | T652 L687 T697 | T652-L656 VanDerWaalsContact O-CB 3.25Å; T652-L656 WeakPolarHBondContact O-CB 3.49Å; T652-L656 VanDerWaalsContact O-CG 3.31Å; T652-L656 WeakPolarHBondContact O-CG 3.44Å; T652-L656 PolarHBondContact O-N 3.12Å; L656-L687 HydrophobicContact CD1-CD1 3.96Å; L656-L687 HydrophobicContact CD1-CD2 3.88Å; L656-L687 HydrophobicContact CD1-CG 3.82Å; L656-T697 HydrophobicContact CD2-CG2 3.75Å |
| 657 | R | 93.7 | Very high | 94.9 | Very high | 203 Ų | 203 | 44.1 Ų | 44.1 | 77% | 0.766 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | -36.6 | -174.5 | -55.6 | -166.8 | -172.6 | -178.4 | -0.7 | 113.8 | D653 | D653-R657 WeakPolarHBondContact O-CA 3.45Å; D653-R657 WeakPolarHBondContact O-CB 3.49Å; D653-R657 PolarHBondContact O-N 2.95Å; D653-R657 WeakPolarHBondContact OD1-CD 3.49Å |
| 658 | R | 94.9 | Very high | 94.2 | Very high | 84 Ų | 84 | 43.7 Ų | 43.7 | 32% | 0.317 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -97.3 | 7.9 | -174 | -60.8 | 172.8 | 61.6 | 177.3 | 4.3 | 114.3 | P550 E584 D653 G660 | P550-R658 HydrophobicContact CG-CB 4.01Å; E584-R658 VanDerWaalsContact CD-NH1 3.25Å; E584-R658 IonicContact OE1-CZ 3.97Å; E584-R658 VanDerWaalsContact OE1-CZ 3.3Å; E584-R658 IonicContact OE1-NH1 3.36Å; E584-R658 PolarHBondContact OE1-NH1 3.19Å; E584-R658 IonicContact OE1-NH2 2.74Å; E584-R658 PolarHBondContact OE1-NH2 3.46Å; E584-R658 IonicContact OE2-CZ 3.93Å; E584-R658 IonicContact OE2-NH1 3.89Å; E584-R658 PolarHBondContact OE2-NH1 3.02Å; E584-R658 VanDerWaalsContact OE2-NH1 3.11Å; E584-R658 IonicContact OE2-NH2 3.7Å; D653-R658 PolarHBondContact O-N 3.06Å; D653-R658 VanDerWaalsContact O-N 3.09Å; D653-R658 WeakPolarHBondContact OD2-CD 3.34Å; R658-G660 PolarHBondContact O-N 3.29Å; R658-G660 VanDerWaalsContact O-N 3.12Å |
| 659 | N | 94.1 | Very high | 93.4 | Very high | 93 Ų | 93 | 47 Ų | 47 | 50% | 0.497 | 21% | 0.208 | S | C | . | . | trans | 54.4 | 27.3 | -178.1 | -66.3 | -37.6 | 0 | 0 | 0 | 114.5 | R706 | N659-R706 PolarHBondContact O-NE 3.02Š| ||
| 660 | G | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -73 | 173.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | P550 I654 R658 R706 | P550-G660 CarbonylContact O-C 3.47Å; P550-G660 WeakPolarHBondContact O-CA 3.5Å; I654-G660 WeakPolarHBondContact O-CA 3.37Å; I654-G660 PolarHBondContact O-N 2.8Å; R658-G660 PolarHBondContact O-N 3.29Å; R658-G660 VanDerWaalsContact O-N 3.12Å; G660-R706 PolarHBondContact O-NE 2.85Å; G660-R706 VanDerWaalsContact O-NE 3.11Å; G660-R706 PolarHBondContact O-NH2 3.07Å | ||
| 661 | Y | 97.3 | Very high | 92.8 | Very high | 53 Ų | 53 | 39.4 Ų | 39.4 | 21% | 0.208 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 152.8 | -176.5 | -70.3 | -114.9 | 0 | 0 | 0 | 111.3 | P544 L549 P550 F551 V552 Y663 K705 R706 L708 | P544-Y661 HydrophobicContact CB-CD2 4.03Å; P544-Y661 HydrophobicContact CB-CE2 3.82Å; P544-Y661 HydrophobicContact CG-CD1 4.41Å; P544-Y661 HydrophobicContact CG-CD2 3.5Å; P544-Y661 HydrophobicContact CG-CE2 3.84Å; P544-Y661 HydrophobicContact CG-CG 3.84Å; L549-Y661 HydrophobicContact CD1-CE2 3.87Å; P550-Y661 PolarHBondContact O-N 3Å; F551-Y661 CarbonylContact C-O 3.56Å; F551-Y661 VanDerWaalsContact CA-O 3.27Å; F551-Y661 WeakPolarHBondContact CA-O 3.47Å; V552-Y661 PolarHBondContact N-O 2.76Å; Y661-Y663 VanDerWaalsContact CB-CE2 3.47Å; Y661-Y663 WeakPolarHBondContact CD1-OH 3.17Å; Y661-Y663 HydrophobicContact CG-CE2 4.37Å; Y661-K705 VanDerWaalsContact CE1-O 3.32Å; Y661-K705 WeakPolarHBondContact CE1-O 3.46Å; Y661-R706 CarbonylContact C-O 3.59Å; Y661-R706 WeakPolarHBondContact CA-O 3.4Å; Y661-R706 HydrophobicContact CD1-CB 4.39Å; Y661-R706 HydrophobicContact CD1-CG 4.24Å; Y661-R706 HydrophobicContact CE1-CG 3.98Å; Y661-R706 HydrophobicContact CE2-CG 4.36Å; Y661-L708 HydrophobicContact CD1-CD1 4.38Å |
| 662 | I | 97.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 130.9 | 170.9 | -174.9 | 161.1 | 0 | 0 | 0 | 110.4 | V552 I554 L655 L679 R706 Y707 L708 | V552-I662 HydrophobicContact CB-CB 4.48Å; V552-I662 HydrophobicContact CB-CG1 4.32Å; V552-I662 HydrophobicContact CG1-CD1 4.45Å; V552-I662 HydrophobicContact CG1-CG1 4.42Å; V552-I662 CarbonylContact O-C 3.52Å; V552-I662 WeakPolarHBondContact O-CA 3.4Å; I554-I662 HydrophobicContact CD1-CD1 3.67Å; I554-I662 HydrophobicContact CD1-CG1 3.95Å; L655-I662 HydrophobicContact CD1-CD1 4.16Å; L655-I662 HydrophobicContact CD1-CG2 4.35Å; L655-I662 HydrophobicContact CD2-CB 3.76Å; L655-I662 HydrophobicContact CD2-CG2 3.72Å; I662-L679 HydrophobicContact CD1-CD1 3.61Å; I662-L679 HydrophobicContact CD1-CD2 3.54Å; I662-L679 HydrophobicContact CD1-CG 4.21Å; I662-R706 PolarHBondContact N-O 2.97Å; I662-Y707 HydrophobicContact CG2-CD2 3.68Å; I662-Y707 HydrophobicContact CG2-CG 3.86Å; I662-Y707 WeakPolarHBondContact O-CA 3.38Å; I662-L708 PolarHBondContact O-N 3.48Å |
| 663 | Y | 97.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 129.7 | -178.1 | -58.1 | -92.5 | 0 | 0 | 0 | 109.3 | F541 R542 P544 F551 V552 M553 I554 F563 F566 Y661 L708 | F541-Y663 HydrophobicContact CD2-CD1 4.15Å; F541-Y663 HydrophobicContact CE1-CD1 4.23Å; F541-Y663 AromaticContact CE2-CD1 3.85Å; F541-Y663 HydrophobicContact CE2-CD1 3.85Å; F541-Y663 HydrophobicContact CE2-CG 4.47Å; F541-Y663 HydrophobicContact CG-CD1 4.47Å; F541-Y663 AromaticContact CZ-CD1 3.91Å; F541-Y663 HydrophobicContact CZ-CD1 3.91Å; F541-Y663 HydrophobicContact CZ-CG 4.31Å; R542-Y663 WeakPolarHBondContact O-CE1 3.38Å; R542-Y663 VanDerWaalsContact O-CZ 3.24Å; R542-Y663 PolarHBondContact O-OH 2.95Å; P544-Y663 WeakPolarHBondContact CD-OH 3.39Å; F551-Y663 HydrophobicContact CB-CD2 4.31Å; F551-Y663 HydrophobicContact CB-CE2 3.77Å; F551-Y663 HydrophobicContact CD2-CD2 4.36Å; F551-Y663 HydrophobicContact CD2-CE2 4.18Å; F551-Y663 HydrophobicContact CG-CE2 4.14Å; V552-Y663 PolarHBondContact O-N 3.26Å; M553-Y663 HydrophobicContact CG-CD2 4.49Å; I554-Y663 PolarHBondContact N-O 3.15Å; F563-Y663 VanDerWaalsContact CE1-CB 3.46Å; F563-Y663 HydrophobicContact CE1-CG 4.28Å; F566-Y663 AromaticContact CE2-CD1 3.85Å; F566-Y663 HydrophobicContact CE2-CD1 3.85Å; F566-Y663 HydrophobicContact CE2-CD2 4.23Å; F566-Y663 AromaticContact CE2-CE1 3.73Å; F566-Y663 HydrophobicContact CE2-CE1 3.73Å; F566-Y663 HydrophobicContact CE2-CE2 4.13Å; F566-Y663 HydrophobicContact CE2-CG 4.11Å; F566-Y663 AromaticContact CE2-CZ 3.91Å; F566-Y663 HydrophobicContact CZ-CD1 4.25Å; F566-Y663 HydrophobicContact CZ-CE1 4.11Å; Y661-Y663 VanDerWaalsContact CB-CE2 3.47Å; Y661-Y663 WeakPolarHBondContact CD1-OH 3.17Å; Y661-Y663 HydrophobicContact CG-CE2 4.37Å; Y663-L708 WeakPolarHBondContact CA-O 3.41Å; Y663-L708 HydrophobicContact CD1-CB 3.92Å; Y663-L708 HydrophobicContact CD1-CD1 3.95Å; Y663-L708 HydrophobicContact CE1-CB 4.23Å; Y663-L708 HydrophobicContact CE1-CD1 3.36Å; Y663-L708 HydrophobicContact CE1-CG 4.41Å |
| 664 | V | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 124.9 | 176 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | I554 M671 V675 Y707 L708 Q709 D710 I711 | I554-V664 HydrophobicContact CB-CG2 4.27Å; I554-V664 HydrophobicContact CD1-CG2 4.01Å; I554-V664 WeakPolarHBondContact O-CA 3.16Å; V664-M671 HydrophobicContact CG1-CE 3.94Å; V664-M671 HydrophobicContact CG1-SD 3.99Å; V664-V675 HydrophobicContact CG1-CG1 4.5Å; V664-V675 HydrophobicContact CG2-CG1 3.78Å; V664-Y707 HydrophobicContact CB-CE2 4.42Å; V664-Y707 HydrophobicContact CG2-CE2 3.69Å; V664-L708 PolarHBondContact N-O 3.32Å; V664-Q709 HydrophobicContact CB-CG 4.33Å; V664-Q709 CarbonylContact O-C 3.56Å; V664-Q709 VanDerWaalsContact O-CA 3.3Å; V664-Q709 WeakPolarHBondContact O-CA 3.43Å; V664-D710 PolarHBondContact O-N 3.02Å; V664-I711 HydrophobicContact CG1-CG2 4.43Å |
| 665 | C | 95.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 139.4 | 177.5 | -179 | 0 | 0 | 0 | 0 | 111.2 | F541 I554 G555 G559 P562 F563 M671 D710 | F541-C665 HydrophobicContact CZ-CB 4.29Å; I554-C665 PolarHBondContact O-N 3.29Å; G555-C665 WeakPolarHBondContact CA-O 3.32Å; G559-C665 WeakPolarHBondContact CA-O 3.48Å; G559-C665 VanDerWaalsContact O-CB 3.28Å; G559-C665 WeakPolarHBondContact O-CB 3.38Å; G559-C665 PolarHBondContact O-SG 3.48Å; G559-C665 VanDerWaalsContact O-SG 3.39Å; P562-C665 HydrophobicContact CG-CB 3.93Å; P562-C665 VanDerWaalsContact CG-SG 3.6Å; F563-C665 HydrophobicContact CE2-CB 3.84Å; F563-C665 HydrophobicContact CZ-CB 3.79Å; C665-M671 VanDerWaalsContact O-CE 3.27Å; C665-M671 WeakPolarHBondContact O-CE 3.5Å; C665-D710 VanDerWaalsContact CA-O 3.24Å; C665-D710 WeakPolarHBondContact CA-O 3.21Å; C665-D710 HydrophobicContact CB-CB 4.35Å; C665-D710 PolarHBondContact SG-O 3.03Å |
| 666 | G | 91.1 | Very high | 91.7 | Very high | 11 Ų | 11 | 45.6 Ų | 45.6 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.3 | -139.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A668 D710 I711 W712 | G666-A668 PolarHBondContact O-N 3.48Å; G666-D710 PolarHBondContact N-O 3.32Å; G666-I711 WeakPolarHBondContact O-CA 3.33Å; G666-W712 PolarHBondContact O-N 2.69Å |
| 667 | D | 88.1 | Confident | 91.6 | Very high | 58 Ų | 58 | 47.6 Ų | 47.6 | 31% | 0.31 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 118.4 | -174.3 | 176.2 | 63.7 | 0 | 0 | 0 | 112.3 | N670 M671 A672 | D667-N670 WeakPolarHBondContact OD2-CA 3.46Å; D667-N670 WeakPolarHBondContact OD2-CB 3.5Å; D667-N670 PolarHBondContact OD2-N 2.9Å; D667-N670 PolarHBondContact OD2-ND2 2.74Å; D667-M671 HydrophobicContact CB-CB 4.06Å; D667-M671 PolarHBondContact OD2-N 2.95Å; D667-A672 PolarHBondContact O-N 3.21Å |
| 668 | A | 79.2 | Confident | 91.7 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -36.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N105 Y106 G666 I711 W712 A713 | N105-A668 VanDerWaalsContact O-O 3.09Å; Y106-A668 HydrophobicContact CE1-CB 4.11Å; Y106-A668 HydrophobicContact CE2-CB 4.24Å; G666-A668 PolarHBondContact O-N 3.48Å; A668-I711 HydrophobicContact CB-CB 3.93Å; A668-I711 HydrophobicContact CB-CD1 3.85Å; A668-I711 HydrophobicContact CB-CG1 4.01Å; A668-W712 WeakPolarHBondContact CB-O 3.47Å; A668-W712 PolarHBondContact N-O 2.9Å; A668-A713 HydrophobicContact CB-CB 4.44Å |
| 669 | K | 77 | Confident | 91.7 | Very high | 88 Ų | 88 | 34.8 Ų | 34.8 | 38% | 0.383 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -42.3 | -167.5 | -64.6 | -174.5 | -177.7 | 173.2 | 0 | 113.9 | N105 A713 | N105-K669 HydrophobicContact CB-CG 4.24Å; K669-A713 HydrophobicContact CG-CB 4.48Å |
| 670 | N | 85.9 | Confident | 91.7 | Very high | 103 Ų | 103 | 31.1 Ų | 31.1 | 55% | 0.551 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.2 | -58.1 | -174.2 | -45.9 | -84.1 | 0 | 0 | 0 | 110.3 | D667 A672 K673 D674 | D667-N670 WeakPolarHBondContact OD2-CA 3.46Å; D667-N670 WeakPolarHBondContact OD2-CB 3.5Å; D667-N670 PolarHBondContact OD2-N 2.9Å; D667-N670 PolarHBondContact OD2-ND2 2.74Å; N670-A672 PolarHBondContact O-N 2.86Å; N670-K673 PolarHBondContact O-N 2.94Å; N670-D674 PolarHBondContact O-N 2.9Å |
| 671 | M | 91.6 | Very high | 91.6 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 8% | 0.084 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.5 | -47.8 | -168.4 | -177.4 | -81.4 | -60.2 | 0 | 0 | 113.2 | P556 V640 V664 C665 D667 K673 D674 V675 | P556-M671 HydrophobicContact CG-CE 4.11Å; P556-M671 HydrophobicContact CG-CG 3.51Å; P556-M671 HydrophobicContact CG-SD 3.97Å; V640-M671 HydrophobicContact CG2-CG 4.34Å; V640-M671 HydrophobicContact CG2-SD 4.5Å; V664-M671 HydrophobicContact CG1-CE 3.94Å; V664-M671 HydrophobicContact CG1-SD 3.99Å; C665-M671 VanDerWaalsContact O-CE 3.27Å; C665-M671 WeakPolarHBondContact O-CE 3.5Å; D667-M671 HydrophobicContact CB-CB 4.06Å; D667-M671 PolarHBondContact OD2-N 2.95Å; M671-K673 VanDerWaalsContact C-N 3.26Å; M671-K673 PolarHBondContact O-N 3.07Å; M671-D674 PolarHBondContact O-N 3.46Å; M671-V675 WeakPolarHBondContact O-CB 3.2Å; M671-V675 WeakPolarHBondContact O-CG2 3.48Å; M671-V675 PolarHBondContact O-N 2.89Å; M671-V675 HydrophobicContact SD-CG2 3.73Å |
| 672 | A | 88.9 | Confident | 91.6 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 4% | 0.041 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62 | -36.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D667 N670 N676 I711 | D667-A672 PolarHBondContact O-N 3.21Å; N670-A672 PolarHBondContact O-N 2.86Å; A672-N676 WeakPolarHBondContact O-CB 3.43Å; A672-N676 PolarHBondContact O-N 2.68Å; A672-I711 HydrophobicContact CB-CB 4.49Å; A672-I711 HydrophobicContact CB-CD1 3.97Å; A672-I711 HydrophobicContact CB-CG2 3.84Å |
| 673 | K | 87.6 | Confident | 91.4 | Very high | 108 Ų | 108 | 32.2 Ų | 32.2 | 47% | 0.47 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66.1 | -50.9 | 176.2 | -175.5 | 179.6 | 175.1 | -178 | 0 | 111.3 | N670 M671 V675 N676 E677 | N670-K673 PolarHBondContact O-N 2.94Å; M671-K673 VanDerWaalsContact C-N 3.26Å; M671-K673 PolarHBondContact O-N 3.07Å; K673-V675 VanDerWaalsContact C-N 3.29Å; K673-V675 PolarHBondContact O-N 3.11Å; K673-N676 WeakPolarHBondContact O-CB 3.44Å; K673-N676 PolarHBondContact O-N 3.33Å; K673-N676 VanDerWaalsContact O-N 3.12Å; K673-E677 WeakPolarHBondContact CE-OE1 3.34Å; K673-E677 WeakPolarHBondContact O-CG 3.45Å; K673-E677 PolarHBondContact O-N 2.71Å |
| 674 | D | 92 | Very high | 91.2 | Very high | 58 Ų | 58 | 35.4 Ų | 35.4 | 31% | 0.31 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -58.1 | -42.4 | 178.1 | -69.5 | -8.9 | 0 | 0 | 0 | 111.6 | Q641 N670 M671 T678 | Q641-D674 PolarHBondContact NE2-OD2 2.98Å; N670-D674 PolarHBondContact O-N 2.9Å; M671-D674 PolarHBondContact O-N 3.46Å; D674-T678 VanDerWaalsContact O-CB 3.29Å; D674-T678 WeakPolarHBondContact O-CB 3.33Å; D674-T678 PolarHBondContact O-N 2.87Å; D674-T678 PolarHBondContact O-OG1 3.26Å |
| 675 | V | 95 | Very high | 91 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.6 | -44.3 | 176.7 | 169.4 | 0 | 0 | 0 | 0 | 111 | I554 V640 L644 V664 M671 K673 T678 L679 | I554-V675 HydrophobicContact CD1-CG1 3.79Å; I554-V675 HydrophobicContact CG2-CG2 3.98Å; V640-V675 HydrophobicContact CG2-CG2 3.87Å; L644-V675 HydrophobicContact CD1-CG1 4.09Å; L644-V675 HydrophobicContact CD1-CG2 4.34Å; V664-V675 HydrophobicContact CG1-CG1 4.5Å; V664-V675 HydrophobicContact CG2-CG1 3.78Å; M671-V675 WeakPolarHBondContact O-CB 3.2Å; M671-V675 WeakPolarHBondContact O-CG2 3.48Å; M671-V675 PolarHBondContact O-N 2.89Å; M671-V675 HydrophobicContact SD-CG2 3.73Å; K673-V675 VanDerWaalsContact C-N 3.29Å; K673-V675 PolarHBondContact O-N 3.11Å; V675-T678 PolarHBondContact O-N 3.25Å; V675-L679 HydrophobicContact CG1-CD1 4Å; V675-L679 HydrophobicContact CG1-CG 4.37Å; V675-L679 VanDerWaalsContact O-CG 3.29Å; V675-L679 WeakPolarHBondContact O-CG 3.38Å; V675-L679 PolarHBondContact O-N 3.48Å |
| 676 | N | 92.6 | Very high | 90.8 | Very high | 23 Ų | 23 | 43 Ų | 43 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62 | -45.3 | 177.9 | 176.6 | 87.8 | 0 | 0 | 0 | 112.2 | A672 K673 T678 L679 M680 L698 R702 | A672-N676 WeakPolarHBondContact O-CB 3.43Å; A672-N676 PolarHBondContact O-N 2.68Å; K673-N676 WeakPolarHBondContact O-CB 3.44Å; K673-N676 PolarHBondContact O-N 3.33Å; K673-N676 VanDerWaalsContact O-N 3.12Å; N676-T678 VanDerWaalsContact C-N 3.31Å; N676-L679 PolarHBondContact O-N 3.08Å; N676-M680 PolarHBondContact O-N 2.86Å; N676-L698 VanDerWaalsContact OD1-CD2 3.25Å; N676-L698 WeakPolarHBondContact OD1-CD2 3.45Å; N676-R702 PolarHBondContact OD1-NH2 3.43Å |
| 677 | E | 92.2 | Very high | 90.8 | Very high | 94 Ų | 94 | 46.3 Ų | 46.3 | 44% | 0.439 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.3 | -42.3 | 175.3 | -71.2 | 176.5 | -172.7 | 0 | 0 | 111 | K673 L679 M680 E681 | K673-E677 WeakPolarHBondContact CE-OE1 3.34Å; K673-E677 WeakPolarHBondContact O-CG 3.45Å; K673-E677 PolarHBondContact O-N 2.71Å; E677-L679 PolarHBondContact O-N 3.23Å; E677-M680 WeakPolarHBondContact O-CB 3.39Å; E677-M680 PolarHBondContact O-N 3.1Å; E677-E681 PolarHBondContact O-N 3.19Å |
| 678 | T | 95.7 | Very high | 91 | Very high | 15 Ų | 15 | 52 Ų | 52 | 9% | 0.092 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 177.1 | -59.9 | 0 | 0 | 0 | 0 | 112.2 | Q641 L644 L645 D674 V675 N676 M680 E681 M682 | Q641-T678 HydrophobicContact CB-CG2 4.09Å; Q641-T678 WeakPolarHBondContact CB-OG1 3.2Å; L644-T678 HydrophobicContact CB-CG2 4.07Å; L645-T678 HydrophobicContact CD1-CG2 4.44Å; L645-T678 HydrophobicContact CD2-CG2 3.83Å; L645-T678 HydrophobicContact CG-CG2 3.73Å; D674-T678 VanDerWaalsContact O-CB 3.29Å; D674-T678 WeakPolarHBondContact O-CB 3.33Å; D674-T678 PolarHBondContact O-N 2.87Å; D674-T678 PolarHBondContact O-OG1 3.26Å; V675-T678 PolarHBondContact O-N 3.25Å; N676-T678 VanDerWaalsContact C-N 3.31Å; T678-M680 VanDerWaalsContact C-N 3.3Å; T678-M680 PolarHBondContact O-N 3.02Å; T678-E681 PolarHBondContact O-N 3.01Å; T678-M682 HydrophobicContact CG2-CG 4.42Å; T678-M682 HydrophobicContact CG2-SD 3.91Å; T678-M682 WeakPolarHBondContact O-CG 3.47Å; T678-M682 PolarHBondContact O-N 3.38Å |
| 679 | L | 95.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 176.9 | -70.8 | 170.2 | 0 | 0 | 0 | 112 | V651 L655 I662 V675 N676 E677 E681 M682 I683 L698 Y707 | V651-L679 HydrophobicContact CG1-CD2 4.44Å; L655-L679 HydrophobicContact CD1-CD2 4.35Å; I662-L679 HydrophobicContact CD1-CD1 3.61Å; I662-L679 HydrophobicContact CD1-CD2 3.54Å; I662-L679 HydrophobicContact CD1-CG 4.21Å; V675-L679 HydrophobicContact CG1-CD1 4Å; V675-L679 HydrophobicContact CG1-CG 4.37Å; V675-L679 VanDerWaalsContact O-CG 3.29Å; V675-L679 WeakPolarHBondContact O-CG 3.38Å; V675-L679 PolarHBondContact O-N 3.48Å; N676-L679 PolarHBondContact O-N 3.08Å; E677-L679 PolarHBondContact O-N 3.23Å; L679-E681 VanDerWaalsContact C-N 3.33Å; L679-M682 HydrophobicContact CD2-CE 4.4Å; L679-M682 HydrophobicContact CD2-SD 4.21Å; L679-M682 PolarHBondContact O-N 3.4Å; L679-I683 VanDerWaalsContact O-CG1 3.29Å; L679-I683 WeakPolarHBondContact O-CG1 3.34Å; L679-I683 PolarHBondContact O-N 3.07Å; L679-L698 HydrophobicContact CB-CD1 4.26Å; L679-Y707 HydrophobicContact CD1-CE1 4.19Å; L679-Y707 HydrophobicContact CD1-CE2 4.33Å |
| 680 | M | 93.4 | Very high | 92.4 | Very high | 17 Ų | 17 | 54.6 Ų | 54.6 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 174.7 | -169.2 | -178.1 | -50.6 | 0 | 0 | 111.1 | N676 E677 T678 I683 K684 Q691 A694 M695 | N676-M680 PolarHBondContact O-N 2.86Å; E677-M680 WeakPolarHBondContact O-CB 3.39Å; E677-M680 PolarHBondContact O-N 3.1Å; T678-M680 VanDerWaalsContact C-N 3.3Å; T678-M680 PolarHBondContact O-N 3.02Å; M680-I683 PolarHBondContact O-N 3.34Å; M680-K684 VanDerWaalsContact O-CB 3.3Å; M680-K684 WeakPolarHBondContact O-CB 3.47Å; M680-K684 PolarHBondContact O-N 2.83Å; M680-Q691 HydrophobicContact SD-CG 3.91Å; M680-A694 HydrophobicContact CG-CB 4.05Å; M680-M695 HydrophobicContact CE-CE 3.94Å; M680-M695 HydrophobicContact CE-CG 3.6Å; M680-M695 HydrophobicContact CG-CG 4.35Å; M680-M695 HydrophobicContact SD-CE 3.67Å; M680-M695 HydrophobicContact SD-CG 3.48Å; M680-M695 WeakPolarHBondContact SD-CG 3.23Å; M680-M695 HydrophobicContact SD-SD 4.44Å |
| 681 | E | 94.3 | Very high | 92.5 | Very high | 74 Ų | 74 | 54.6 Ų | 54.6 | 35% | 0.346 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70.5 | -33.4 | -179.2 | -124.4 | 50.7 | -166.8 | 0 | 0 | 112.7 | E677 T678 L679 K684 T685 | E677-E681 PolarHBondContact O-N 3.19Å; T678-E681 PolarHBondContact O-N 3.01Å; L679-E681 VanDerWaalsContact C-N 3.33Å; E681-K684 WeakPolarHBondContact OE1-CD 3.38Å; E681-K684 IonicContact OE1-NZ 2.82Å; E681-K684 PolarHBondContact OE1-NZ 3.37Å; E681-T685 WeakPolarHBondContact O-CB 3.42Å; E681-T685 PolarHBondContact O-N 3.39Å; E681-T685 PolarHBondContact O-OG1 3.41Å |
| 682 | M | 95.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.9 | -48.7 | 170.9 | -70.3 | 167.5 | 57.8 | 0 | 0 | 111.6 | L644 L645 C648 V651 T652 T678 L679 T685 E686 | L644-M682 HydrophobicContact CB-SD 3.97Å; L645-M682 HydrophobicContact CD2-CG 4.03Å; C648-M682 HydrophobicContact CB-CE 4.31Å; C648-M682 HydrophobicContact CB-CG 4.17Å; V651-M682 HydrophobicContact CB-CE 3.6Å; V651-M682 HydrophobicContact CG1-CE 3.6Å; V651-M682 HydrophobicContact CG2-CE 4.42Å; T652-M682 HydrophobicContact CG2-CB 3.86Å; T652-M682 HydrophobicContact CG2-CE 4.11Å; T678-M682 HydrophobicContact CG2-CG 4.42Å; T678-M682 HydrophobicContact CG2-SD 3.91Å; T678-M682 WeakPolarHBondContact O-CG 3.47Å; T678-M682 PolarHBondContact O-N 3.38Å; L679-M682 HydrophobicContact CD2-CE 4.4Å; L679-M682 HydrophobicContact CD2-SD 4.21Å; L679-M682 PolarHBondContact O-N 3.4Å; M682-T685 PolarHBondContact O-N 3.21Å; M682-E686 WeakPolarHBondContact O-CB 3.42Å; M682-E686 VanDerWaalsContact O-CG 3.31Å; M682-E686 WeakPolarHBondContact O-CG 3.49Å; M682-E686 PolarHBondContact O-N 3.44Å |
| 683 | I | 94.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 178.8 | -69 | 167.5 | 0 | 0 | 0 | 110.7 | L679 M680 T685 E686 L687 A694 T697 L698 | L679-I683 VanDerWaalsContact O-CG1 3.29Å; L679-I683 WeakPolarHBondContact O-CG1 3.34Å; L679-I683 PolarHBondContact O-N 3.07Å; M680-I683 PolarHBondContact O-N 3.34Å; I683-T685 VanDerWaalsContact C-N 3.31Å; I683-T685 PolarHBondContact O-N 3.29Å; I683-E686 PolarHBondContact O-N 3.38Å; I683-L687 HydrophobicContact CG2-CD1 3.77Å; I683-L687 HydrophobicContact CG2-CG 4.35Å; I683-L687 WeakPolarHBondContact O-CB 3.34Å; I683-L687 PolarHBondContact O-N 3.07Å; I683-A694 HydrophobicContact CB-CB 4.39Å; I683-A694 HydrophobicContact CG2-CB 4.05Å; I683-T697 HydrophobicContact CD1-CG2 4.32Å; I683-T697 HydrophobicContact CG2-CG2 4.07Å; I683-L698 HydrophobicContact CD1-CB 4.31Å; I683-L698 HydrophobicContact CD1-CD1 4.04Å |
| 684 | K | 93.9 | Very high | 92.5 | Very high | 67 Ų | 67 | 58 Ų | 58 | 29% | 0.291 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -55.6 | -46.2 | 176.4 | -177.6 | -173.4 | 170.9 | -177.7 | 0 | 111.7 | M680 E681 Q688 V689 A694 | M680-K684 VanDerWaalsContact O-CB 3.3Å; M680-K684 WeakPolarHBondContact O-CB 3.47Å; M680-K684 PolarHBondContact O-N 2.83Å; E681-K684 WeakPolarHBondContact OE1-CD 3.38Å; E681-K684 IonicContact OE1-NZ 2.82Å; E681-K684 PolarHBondContact OE1-NZ 3.37Å; K684-Q688 VanDerWaalsContact O-CA 3.22Å; K684-Q688 WeakPolarHBondContact O-CA 3.49Å; K684-Q688 PolarHBondContact O-N 3.48Å; K684-V689 VanDerWaalsContact CG-O 3.23Å; K684-V689 WeakPolarHBondContact CG-O 3.11Å; K684-V689 PolarHBondContact O-N 3.3Å; K684-A694 HydrophobicContact CB-CB 4.08Å |
| 685 | T | 91.3 | Very high | 92.1 | Very high | 92 Ų | 92 | 59.2 Ų | 59.2 | 56% | 0.564 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -68.3 | -45.6 | -179.4 | -57.1 | 0 | 0 | 0 | 0 | 112 | E681 M682 I683 | E681-T685 WeakPolarHBondContact O-CB 3.42Å; E681-T685 PolarHBondContact O-N 3.39Å; E681-T685 PolarHBondContact O-OG1 3.41Å; M682-T685 PolarHBondContact O-N 3.21Å; I683-T685 VanDerWaalsContact C-N 3.31Å; I683-T685 PolarHBondContact O-N 3.29Å |
| 686 | E | 92.1 | Very high | 91.8 | Very high | 70 Ų | 70 | 65.3 Ų | 65.3 | 33% | 0.327 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -77.2 | -33.7 | -173.8 | -68.4 | -70.3 | 160.3 | 0 | 0 | 113.2 | C648 R649 T652 M682 I683 | C648-E686 VanDerWaalsContact SG-CG 3.59Å; C648-E686 PolarHBondContact SG-OE1 3.07Å; C648-E686 VanDerWaalsContact SG-OE1 3.37Å; R649-E686 WeakPolarHBondContact CG-OE1 3.28Å; T652-E686 HydrophobicContact CG2-CB 4.24Å; T652-E686 HydrophobicContact CG2-CG 3.83Å; T652-E686 WeakPolarHBondContact OG1-CG 2.87Å; M682-E686 WeakPolarHBondContact O-CB 3.42Å; M682-E686 VanDerWaalsContact O-CG 3.31Å; M682-E686 WeakPolarHBondContact O-CG 3.49Å; M682-E686 PolarHBondContact O-N 3.44Å; I683-E686 PolarHBondContact O-N 3.38Å |
| 687 | L | 90.3 | Very high | 91.8 | Very high | 80 Ų | 80 | 65.8 Ų | 65.8 | 42% | 0.419 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -89.9 | -9 | 174.6 | -63.8 | -177.5 | 0 | 0 | 0 | 113.2 | L656 I683 V689 | L656-L687 HydrophobicContact CD1-CD1 3.96Å; L656-L687 HydrophobicContact CD1-CD2 3.88Å; L656-L687 HydrophobicContact CD1-CG 3.82Å; I683-L687 HydrophobicContact CG2-CD1 3.77Å; I683-L687 HydrophobicContact CG2-CG 4.35Å; I683-L687 WeakPolarHBondContact O-CB 3.34Å; I683-L687 PolarHBondContact O-N 3.07Å; L687-V689 HydrophobicContact CB-CB 4.47Å; L687-V689 HydrophobicContact CB-CG1 3.84Å; L687-V689 HydrophobicContact CB-CG2 3.98Å; L687-V689 PolarHBondContact O-N 3.3Å |
| 688 | Q | 91.8 | Very high | 91.8 | Very high | 178 Ų | 178 | 61.4 Ų | 61.4 | 83% | 0.832 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 40.5 | -173.2 | -58.5 | -175.7 | -3.3 | 0 | 0 | 112.8 | K684 | K684-Q688 VanDerWaalsContact O-CA 3.22Å; K684-Q688 WeakPolarHBondContact O-CA 3.49Å; K684-Q688 PolarHBondContact O-N 3.48Å |
| 689 | V | 92.8 | Very high | 91.2 | Very high | 44 Ų | 44 | 62.7 Ų | 62.7 | 27% | 0.267 | 32% | 0.319 | S | S | . | . | trans | -101.8 | 169.9 | 179.8 | -65 | 0 | 0 | 0 | 0 | 111.1 | K684 L687 E693 A694 | K684-V689 VanDerWaalsContact CG-O 3.23Å; K684-V689 WeakPolarHBondContact CG-O 3.11Å; K684-V689 PolarHBondContact O-N 3.3Å; L687-V689 HydrophobicContact CB-CB 4.47Å; L687-V689 HydrophobicContact CB-CG1 3.84Å; L687-V689 HydrophobicContact CB-CG2 3.98Å; L687-V689 PolarHBondContact O-N 3.3Å; V689-E693 HydrophobicContact CB-CB 4.03Å; V689-E693 HydrophobicContact CB-CG 4.47Å; V689-E693 HydrophobicContact CG1-CB 4.47Å; V689-E693 HydrophobicContact CG1-CG 4.38Å; V689-E693 HydrophobicContact CG2-CB 4.24Å; V689-A694 HydrophobicContact CG2-CB 4.18Å | ||
| 690 | D | 92.6 | Very high | 91 | Very high | 98 Ų | 98 | 63.5 Ų | 63.5 | 52% | 0.524 | 33% | 0.328 | S | S | . | . | trans | -75 | 175 | 170.2 | 70.8 | 14.9 | 0 | 0 | 0 | 111.9 | L692 E693 A694 | D690-L692 VanDerWaalsContact C-N 3.27Å; D690-L692 PolarHBondContact O-N 3.47Å; D690-L692 PolarHBondContact OD1-N 3.19Å; D690-L692 VanDerWaalsContact OD1-N 3.1Å; D690-E693 PolarHBondContact OD1-N 3.17Å; D690-A694 PolarHBondContact O-N 3.25Å | ||
| 691 | Q | 88.2 | Confident | 90.9 | Very high | 103 Ų | 103 | 63 Ų | 63 | 48% | 0.481 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.5 | -32.9 | -179.2 | -170 | 177 | 5.6 | 0 | 0 | 112.4 | M680 M695 | M680-Q691 HydrophobicContact SD-CG 3.91Å; Q691-M695 HydrophobicContact CG-CE 4Å; Q691-M695 VanDerWaalsContact O-CG 3.31Å; Q691-M695 WeakPolarHBondContact O-CG 3.35Å; Q691-M695 PolarHBondContact O-N 2.84Å |
| 692 | L | 87.2 | Confident | 90.6 | Very high | 126 Ų | 126 | 61.8 Ų | 61.8 | 66% | 0.66 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -69.6 | -44.6 | -176.5 | -175.5 | 67.6 | 0 | 0 | 0 | 111.2 | D690 A694 M695 K696 | D690-L692 VanDerWaalsContact C-N 3.27Å; D690-L692 PolarHBondContact O-N 3.47Å; D690-L692 PolarHBondContact OD1-N 3.19Å; D690-L692 VanDerWaalsContact OD1-N 3.1Å; L692-A694 VanDerWaalsContact C-N 3.34Å; L692-M695 WeakPolarHBondContact O-CB 3.27Å; L692-M695 PolarHBondContact O-N 2.94Å; L692-K696 WeakPolarHBondContact O-CB 3.28Å; L692-K696 PolarHBondContact O-N 2.79Å |
| 693 | E | 90.2 | Very high | 90.1 | Very high | 75 Ų | 75 | 69.7 Ų | 69.7 | 35% | 0.35 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -71.2 | -32.3 | 178.5 | -161.5 | 64.1 | -154.7 | 0 | 0 | 111.4 | V689 D690 K696 T697 | V689-E693 HydrophobicContact CB-CB 4.03Å; V689-E693 HydrophobicContact CB-CG 4.47Å; V689-E693 HydrophobicContact CG1-CB 4.47Å; V689-E693 HydrophobicContact CG1-CG 4.38Å; V689-E693 HydrophobicContact CG2-CB 4.24Å; D690-E693 PolarHBondContact OD1-N 3.17Å; E693-K696 PolarHBondContact O-N 3.41Å; E693-K696 IonicContact OE1-NZ 2.72Å; E693-K696 PolarHBondContact OE1-NZ 3.15Å; E693-K696 IonicContact OE2-NZ 3.11Å; E693-K696 PolarHBondContact OE2-NZ 3.33Å; E693-T697 WeakPolarHBondContact O-CB 3.29Å; E693-T697 PolarHBondContact O-N 2.92Å; E693-T697 PolarHBondContact O-OG1 3.26Å |
| 694 | A | 91.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63 | -45.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | M680 I683 K684 V689 D690 L692 K696 T697 L698 | M680-A694 HydrophobicContact CG-CB 4.05Å; I683-A694 HydrophobicContact CB-CB 4.39Å; I683-A694 HydrophobicContact CG2-CB 4.05Å; K684-A694 HydrophobicContact CB-CB 4.08Å; V689-A694 HydrophobicContact CG2-CB 4.18Å; D690-A694 PolarHBondContact O-N 3.25Å; L692-A694 VanDerWaalsContact C-N 3.34Å; A694-K696 VanDerWaalsContact C-N 3.34Å; A694-K696 PolarHBondContact O-N 3.47Å; A694-T697 PolarHBondContact O-N 3.31Å; A694-L698 PolarHBondContact O-N 3.49Å |
| 695 | M | 84.9 | Confident | 89.7 | Confident | 84 Ų | 84 | 78.1 Ų | 78.1 | 41% | 0.414 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58.4 | -45.3 | 173.9 | -76.9 | -173.6 | -176.1 | 0 | 0 | 111.8 | M680 Q691 L692 L698 A699 | M680-M695 HydrophobicContact CE-CE 3.94Å; M680-M695 HydrophobicContact CE-CG 3.6Å; M680-M695 HydrophobicContact CG-CG 4.35Å; M680-M695 HydrophobicContact SD-CE 3.67Å; M680-M695 HydrophobicContact SD-CG 3.48Å; M680-M695 WeakPolarHBondContact SD-CG 3.23Å; M680-M695 HydrophobicContact SD-SD 4.44Å; Q691-M695 HydrophobicContact CG-CE 4Å; Q691-M695 VanDerWaalsContact O-CG 3.31Å; Q691-M695 WeakPolarHBondContact O-CG 3.35Å; Q691-M695 PolarHBondContact O-N 2.84Å; L692-M695 WeakPolarHBondContact O-CB 3.27Å; L692-M695 PolarHBondContact O-N 2.94Å; M695-L698 PolarHBondContact O-N 2.64Å; M695-A699 WeakPolarHBondContact O-CB 3.41Å; M695-A699 PolarHBondContact O-N 2.82Å |
| 696 | K | 88.3 | Confident | 89.8 | Confident | 127 Ų | 127 | 74.9 Ų | 74.9 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.2 | -39.6 | 178.7 | -176.4 | -176.5 | 164.2 | -150.7 | 0 | 112.1 | L692 E693 A694 A699 G700 | L692-K696 WeakPolarHBondContact O-CB 3.28Å; L692-K696 PolarHBondContact O-N 2.79Å; E693-K696 PolarHBondContact O-N 3.41Å; E693-K696 IonicContact OE1-NZ 2.72Å; E693-K696 PolarHBondContact OE1-NZ 3.15Å; E693-K696 IonicContact OE2-NZ 3.11Å; E693-K696 PolarHBondContact OE2-NZ 3.33Å; A694-K696 VanDerWaalsContact C-N 3.34Å; A694-K696 PolarHBondContact O-N 3.47Å; K696-A699 PolarHBondContact O-N 3.05Å; K696-G700 PolarHBondContact O-N 3.45Å |
| 697 | T | 92.3 | Very high | 89.9 | Confident | 34 Ų | 34 | 71.7 Ų | 71.7 | 21% | 0.209 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 174.6 | -59.1 | 0 | 0 | 0 | 0 | 110.8 | L656 I683 E693 A694 A699 G700 L701 | L656-T697 HydrophobicContact CD2-CG2 3.75Å; I683-T697 HydrophobicContact CD1-CG2 4.32Å; I683-T697 HydrophobicContact CG2-CG2 4.07Å; E693-T697 WeakPolarHBondContact O-CB 3.29Å; E693-T697 PolarHBondContact O-N 2.92Å; E693-T697 PolarHBondContact O-OG1 3.26Å; A694-T697 PolarHBondContact O-N 3.31Å; T697-A699 PolarHBondContact O-N 3.25Å; T697-G700 PolarHBondContact O-N 3.38Å; T697-L701 PolarHBondContact O-N 3.37Å |
| 698 | L | 91.3 | Very high | 90 | Very high | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 178.8 | -165.7 | 64 | 0 | 0 | 0 | 112.1 | N676 L679 I683 A694 M695 L701 R702 Y707 | N676-L698 VanDerWaalsContact OD1-CD2 3.25Å; N676-L698 WeakPolarHBondContact OD1-CD2 3.45Å; L679-L698 HydrophobicContact CB-CD1 4.26Å; I683-L698 HydrophobicContact CD1-CB 4.31Å; I683-L698 HydrophobicContact CD1-CD1 4.04Å; A694-L698 PolarHBondContact O-N 3.49Å; M695-L698 PolarHBondContact O-N 2.64Å; L698-L701 HydrophobicContact CD1-CD1 4.32Å; L698-L701 PolarHBondContact O-N 3.08Å; L698-R702 PolarHBondContact O-N 3.02Å; L698-Y707 HydrophobicContact CD1-CD1 3.49Å; L698-Y707 VanDerWaalsContact CD1-CD1 3.49Å; L698-Y707 HydrophobicContact CD1-CE1 3.68Å; L698-Y707 HydrophobicContact CD2-CE1 4.06Å; L698-Y707 HydrophobicContact CG-CD1 3.84Å; L698-Y707 HydrophobicContact CG-CE1 3.88Å |
| 699 | A | 83.8 | Confident | 89.9 | Confident | 42 Ų | 42 | 61.3 Ų | 61.3 | 35% | 0.347 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M695 K696 T697 L701 R702 E703 | M695-A699 WeakPolarHBondContact O-CB 3.41Å; M695-A699 PolarHBondContact O-N 2.82Å; K696-A699 PolarHBondContact O-N 3.05Å; T697-A699 PolarHBondContact O-N 3.25Å; A699-L701 VanDerWaalsContact C-N 3.32Å; A699-L701 PolarHBondContact O-N 3.12Å; A699-R702 WeakPolarHBondContact O-CB 3.44Å; A699-R702 PolarHBondContact O-N 2.89Å; A699-R702 VanDerWaalsContact O-N 3.11Å; A699-E703 PolarHBondContact O-N 3.44Å |
| 700 | G | 90.8 | Very high | 89.8 | Confident | 19 Ų | 19 | 59.7 Ų | 59.7 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.4 | -40 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K696 T697 R702 E703 Q704 | K696-G700 PolarHBondContact O-N 3.45Å; T697-G700 PolarHBondContact O-N 3.38Å; G700-R702 VanDerWaalsContact C-N 3.32Å; G700-R702 PolarHBondContact O-N 3.25Å; G700-E703 PolarHBondContact O-N 2.9Å; G700-Q704 WeakPolarHBondContact O-CB 3.44Å; G700-Q704 WeakPolarHBondContact O-CG 3.38Å; G700-Q704 PolarHBondContact O-N 2.8Å |
| 701 | L | 92.8 | Very high | 89.4 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.3 | -36.3 | 174.3 | -68.8 | 174.1 | 0 | 0 | 0 | 112.5 | L655 T697 L698 A699 K705 R706 Y707 | L655-L701 HydrophobicContact CB-CD1 4.37Å; T697-L701 PolarHBondContact O-N 3.37Å; L698-L701 HydrophobicContact CD1-CD1 4.32Å; L698-L701 PolarHBondContact O-N 3.08Å; A699-L701 VanDerWaalsContact C-N 3.32Å; A699-L701 PolarHBondContact O-N 3.12Å; L701-K705 PolarHBondContact O-N 2.88Å; L701-R706 HydrophobicContact CD2-CB 4.39Å; L701-R706 PolarHBondContact O-N 3.02Å; L701-Y707 PolarHBondContact O-N 2.91Å; L701-Y707 VanDerWaalsContact O-N 3.09Å |
| 702 | R | 88.1 | Confident | 89.1 | Confident | 48 Ų | 48 | 55.7 Ų | 55.7 | 18% | 0.181 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.4 | -45.4 | 173.2 | -68.9 | -179.6 | 171.2 | 123.6 | 2.8 | 111.8 | N676 L698 A699 G700 Q704 K705 Y707 | N676-R702 PolarHBondContact OD1-NH2 3.43Å; L698-R702 PolarHBondContact O-N 3.02Å; A699-R702 WeakPolarHBondContact O-CB 3.44Å; A699-R702 PolarHBondContact O-N 2.89Å; A699-R702 VanDerWaalsContact O-N 3.11Å; G700-R702 VanDerWaalsContact C-N 3.32Å; G700-R702 PolarHBondContact O-N 3.25Å; R702-Q704 VanDerWaalsContact C-N 3.26Å; R702-Q704 PolarHBondContact O-N 3.19Å; R702-K705 WeakPolarHBondContact O-CA 3.44Å; R702-K705 PolarHBondContact O-N 3.12Å; R702-Y707 HydrophobicContact CG-CD1 3.8Å; R702-Y707 HydrophobicContact CG-CG 4.13Å; R702-Y707 VanDerWaalsContact NH2-CE1 3.32Å |
| 703 | E | 83.9 | Confident | 88.2 | Confident | 167 Ų | 167 | 54.2 Ų | 54.2 | 78% | 0.78 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.4 | -37.4 | 177.1 | -72.4 | -177.2 | 176.5 | 0 | 0 | 112.1 | A699 G700 K705 | A699-E703 PolarHBondContact O-N 3.44Å; G700-E703 PolarHBondContact O-N 2.9Å; E703-K705 PolarHBondContact O-N 2.96Å |
| 704 | Q | 89.6 | Confident | 88.1 | Confident | 111 Ų | 111 | 53.2 Ų | 53.2 | 52% | 0.519 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -2.5 | 173.8 | -69.1 | 173.3 | 8.9 | 0 | 0 | 113.7 | G700 R702 R706 | G700-Q704 WeakPolarHBondContact O-CB 3.44Å; G700-Q704 WeakPolarHBondContact O-CG 3.38Å; G700-Q704 PolarHBondContact O-N 2.8Å; R702-Q704 VanDerWaalsContact C-N 3.26Å; R702-Q704 PolarHBondContact O-N 3.19Å; Q704-R706 HydrophobicContact CB-CG 4.15Å; Q704-R706 PolarHBondContact O-N 2.9Å |
| 705 | K | 90 | Very high | 87.9 | Confident | 135 Ų | 135 | 56 Ų | 56 | 59% | 0.587 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 35.2 | -174 | -57.2 | -176.3 | 175.8 | -174.9 | 0 | 113.6 | Y661 L701 R702 E703 L708 | Y661-K705 VanDerWaalsContact CE1-O 3.32Å; Y661-K705 WeakPolarHBondContact CE1-O 3.46Å; L701-K705 PolarHBondContact O-N 2.88Å; R702-K705 WeakPolarHBondContact O-CA 3.44Å; R702-K705 PolarHBondContact O-N 3.12Å; E703-K705 PolarHBondContact O-N 2.96Å; K705-L708 HydrophobicContact CB-CD2 4.3Å; K705-L708 WeakPolarHBondContact O-CD1 3.45Å |
| 706 | R | 93.8 | Very high | 88.1 | Confident | 24 Ų | 24 | 54.4 Ų | 54.4 | 9% | 0.091 | 28% | 0.279 | C | S | . | . | trans | -107.3 | -19.1 | 178.2 | -68.8 | 173.7 | 57.9 | -141.9 | -13.2 | 112.9 | L655 N659 G660 Y661 I662 L701 Q704 | L655-R706 PolarHBondContact O-NH2 3.03Å; N659-R706 PolarHBondContact O-NE 3.02Å; G660-R706 PolarHBondContact O-NE 2.85Å; G660-R706 VanDerWaalsContact O-NE 3.11Å; G660-R706 PolarHBondContact O-NH2 3.07Å; Y661-R706 CarbonylContact C-O 3.59Å; Y661-R706 WeakPolarHBondContact CA-O 3.4Å; Y661-R706 HydrophobicContact CD1-CB 4.39Å; Y661-R706 HydrophobicContact CD1-CG 4.24Å; Y661-R706 HydrophobicContact CE1-CG 3.98Å; Y661-R706 HydrophobicContact CE2-CG 4.36Å; I662-R706 PolarHBondContact N-O 2.97Å; L701-R706 HydrophobicContact CD2-CB 4.39Å; L701-R706 PolarHBondContact O-N 3.02Å; Q704-R706 HydrophobicContact CB-CG 4.15Å; Q704-R706 PolarHBondContact O-N 2.9Å | ||
| 707 | Y | 94.3 | Very high | 88.1 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 110 | 162.2 | -179.9 | -168.4 | 0 | 0 | 0 | 109 | I662 V664 L679 L698 L701 R702 Q709 | I662-Y707 HydrophobicContact CG2-CD2 3.68Å; I662-Y707 HydrophobicContact CG2-CG 3.86Å; I662-Y707 WeakPolarHBondContact O-CA 3.38Å; V664-Y707 HydrophobicContact CB-CE2 4.42Å; V664-Y707 HydrophobicContact CG2-CE2 3.69Å; L679-Y707 HydrophobicContact CD1-CE1 4.19Å; L679-Y707 HydrophobicContact CD1-CE2 4.33Å; L698-Y707 HydrophobicContact CD1-CD1 3.49Å; L698-Y707 VanDerWaalsContact CD1-CD1 3.49Å; L698-Y707 HydrophobicContact CD1-CE1 3.68Å; L698-Y707 HydrophobicContact CD2-CE1 4.06Å; L698-Y707 HydrophobicContact CG-CD1 3.84Å; L698-Y707 HydrophobicContact CG-CE1 3.88Å; L701-Y707 PolarHBondContact O-N 2.91Å; L701-Y707 VanDerWaalsContact O-N 3.09Å; R702-Y707 HydrophobicContact CG-CD1 3.8Å; R702-Y707 HydrophobicContact CG-CG 4.13Å; R702-Y707 VanDerWaalsContact NH2-CE1 3.32Å; Y707-Q709 HydrophobicContact CD2-CG 4.31Å; Y707-Q709 HydrophobicContact CE2-CG 3.76Å; Y707-Q709 PolarHBondContact OH-NE2 3.17Å |
| 708 | L | 92.3 | Very high | 87.8 | Confident | 16 Ų | 16 | 51.2 Ų | 51.2 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 141.7 | -174 | -64.8 | 162.4 | 0 | 0 | 0 | 110.5 | S540 F541 Y661 I662 Y663 V664 K705 | S540-L708 VanDerWaalsContact O-CD1 3.29Å; S540-L708 WeakPolarHBondContact O-CD1 3.27Å; F541-L708 HydrophobicContact CD2-CB 3.86Å; F541-L708 HydrophobicContact CE2-CB 4.17Å; Y661-L708 HydrophobicContact CD1-CD1 4.38Å; I662-L708 PolarHBondContact O-N 3.48Å; Y663-L708 WeakPolarHBondContact CA-O 3.41Å; Y663-L708 HydrophobicContact CD1-CB 3.92Å; Y663-L708 HydrophobicContact CD1-CD1 3.95Å; Y663-L708 HydrophobicContact CE1-CB 4.23Å; Y663-L708 HydrophobicContact CE1-CD1 3.36Å; Y663-L708 HydrophobicContact CE1-CG 4.41Å; V664-L708 PolarHBondContact N-O 3.32Å; K705-L708 HydrophobicContact CB-CD2 4.3Å; K705-L708 WeakPolarHBondContact O-CD1 3.45Å |
| 709 | Q | 90.3 | Very high | 87.6 | Confident | 24 Ų | 24 | 54.5 Ų | 54.5 | 11% | 0.112 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 135 | -178.4 | -59.3 | -172.7 | -18.5 | 0 | 0 | 110.7 | V664 Y707 I711 | V664-Q709 HydrophobicContact CB-CG 4.33Å; V664-Q709 CarbonylContact O-C 3.56Å; V664-Q709 VanDerWaalsContact O-CA 3.3Å; V664-Q709 WeakPolarHBondContact O-CA 3.43Å; Y707-Q709 HydrophobicContact CD2-CG 4.31Å; Y707-Q709 HydrophobicContact CE2-CG 3.76Å; Y707-Q709 PolarHBondContact OH-NE2 3.17Å; Q709-I711 HydrophobicContact CB-CG1 4.48Å; Q709-I711 HydrophobicContact CB-CG2 4.27Å |
| 710 | D | 89.3 | Confident | 87.9 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 5% | 0.053 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 80.1 | 169.1 | -175.6 | 38 | 0 | 0 | 0 | 108.7 | S471 F541 V664 C665 G666 W712 | S471-D710 PolarHBondContact OG-OD2 3.01Å; F541-D710 HydrophobicContact CD1-CB 4.26Å; F541-D710 HydrophobicContact CD2-CB 3.82Å; F541-D710 HydrophobicContact CE1-CB 4.15Å; F541-D710 HydrophobicContact CE2-CB 3.7Å; F541-D710 HydrophobicContact CG-CB 4.1Å; F541-D710 HydrophobicContact CZ-CB 3.86Å; V664-D710 PolarHBondContact O-N 3.02Å; C665-D710 VanDerWaalsContact CA-O 3.24Å; C665-D710 WeakPolarHBondContact CA-O 3.21Å; C665-D710 HydrophobicContact CB-CB 4.35Å; C665-D710 PolarHBondContact SG-O 3.03Å; G666-D710 PolarHBondContact N-O 3.32Å; D710-W712 VanDerWaalsContact OD1-CE2 3.32Å; D710-W712 WeakPolarHBondContact OD1-CZ2 3.41Å; D710-W712 PolarHBondContact OD1-NE1 3.49Å; D710-W712 PolarHBondContact OD2-NE1 3.14Å |
| 711 | I | 85.5 | Confident | 87.6 | Confident | 20 Ų | 20 | 58.2 Ų | 58.2 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 139.8 | -167.4 | 59.9 | 171.6 | 0 | 0 | 0 | 112.1 | Y106 V664 G666 A668 A672 Q709 | Y106-I711 HydrophobicContact CD1-CD1 3.81Å; Y106-I711 HydrophobicContact CD1-CG1 4.19Å; Y106-I711 HydrophobicContact CE1-CD1 3.99Å; Y106-I711 HydrophobicContact CE1-CG1 3.91Å; V664-I711 HydrophobicContact CG1-CG2 4.43Å; G666-I711 WeakPolarHBondContact O-CA 3.33Å; A668-I711 HydrophobicContact CB-CB 3.93Å; A668-I711 HydrophobicContact CB-CD1 3.85Å; A668-I711 HydrophobicContact CB-CG1 4.01Å; A672-I711 HydrophobicContact CB-CB 4.49Å; A672-I711 HydrophobicContact CB-CD1 3.97Å; A672-I711 HydrophobicContact CB-CG2 3.84Å; Q709-I711 HydrophobicContact CB-CG1 4.48Å; Q709-I711 HydrophobicContact CB-CG2 4.27Å |
| 712 | W | 81.7 | Confident | 87.2 | Confident | 97 Ų | 97 | 62.5 Ų | 62.5 | 37% | 0.367 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 155.5 | -170.6 | -48.5 | 91 | 0 | 0 | 0 | 110.3 | P469 G666 A668 D710 | P469-W712 HydrophobicContact CB-CH2 3.81Å; P469-W712 HydrophobicContact CB-CZ3 3.74Å; P469-W712 HydrophobicContact CG-CE3 3.94Å; P469-W712 HydrophobicContact CG-CH2 4.01Å; P469-W712 HydrophobicContact CG-CZ3 3.39Å; G666-W712 PolarHBondContact O-N 2.69Å; A668-W712 WeakPolarHBondContact CB-O 3.47Å; A668-W712 PolarHBondContact N-O 2.9Å; D710-W712 VanDerWaalsContact OD1-CE2 3.32Å; D710-W712 WeakPolarHBondContact OD1-CZ2 3.41Å; D710-W712 PolarHBondContact OD1-NE1 3.49Å; D710-W712 PolarHBondContact OD2-NE1 3.14Å |
| 713 | A | 67.8 | Low | 87.1 | Confident | 96 Ų | 96 | 63.8 Ų | 63.8 | 79% | 0.793 | 32% | 0.318 | S | S | * | . | trans | -129.4 | 0 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A668 K669 | A668-A713 HydrophobicContact CB-CB 4.44Å; K669-A713 HydrophobicContact CG-CB 4.48Å |
Retrieved 713 of 713 residues in 606.3 ms
(Link to these results)