| 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 | 27.6 | Very low | 54 | Low | 245 Ų | 245 | 103.4 Ų | 103.4 | 100% | 1.207 | 66% | 0.662 | S | S | * | * | 0 | 99.8 | 0 | -76.3 | -179.3 | 168.8 | 0 | 0 | 107.2 | |||||
| 2 | A | 30.5 | Very low | 56.8 | Low | 115 Ų | 115 | 108 Ų | 108 | 95% | 0.95 | 66% | 0.657 | S | S | * | * | trans | -94.3 | 107.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 3 | S | 25.8 | Very low | 59.2 | Low | 106 Ų | 106 | 99.8 Ų | 99.8 | 74% | 0.741 | 61% | 0.607 | S | S | * | * | trans | -117.5 | 114.5 | 170.1 | 54.5 | 0 | 0 | 0 | 0 | 107.3 | G5 | S3-G5 VanDerWaalsContact C-N 3.26Å; S3-G5 PolarHBondContact O-N 3.18Å | ||
| 4 | A | 31.9 | Very low | 61.5 | Low | 122 Ų | 122 | 93.6 Ų | 93.6 | 100% | 1.008 | 57% | 0.569 | S | S | * | * | trans | -71.9 | 78.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 5 | G | 36.8 | Very low | 63.3 | Low | 52 Ų | 52 | 87.3 Ų | 87.3 | 54% | 0.536 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -144.6 | 129.7 | 166.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | S3 I7 | S3-G5 VanDerWaalsContact C-N 3.26Å; S3-G5 PolarHBondContact O-N 3.18Å; G5-I7 PolarHBondContact O-N 3.1Å |
| 6 | G | 54.8 | Low | 65 | Low | 49 Ų | 49 | 81.9 Ų | 81.9 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | trans | -51.6 | 136.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q8 E131 | G6-Q8 PolarHBondContact O-N 3.2Å; G6-Q8 VanDerWaalsContact O-N 3.16Å; G6-E131 WeakPolarHBondContact CA-OE1 3.42Å; G6-E131 PolarHBondContact N-OE1 3.36Å | ||
| 7 | I | 64.2 | Low | 66.3 | Low | 88 Ų | 88 | 77.4 Ų | 77.4 | 45% | 0.451 | 47% | 0.471 | S | S | . | . | trans | -67.3 | 114.4 | 175.6 | -62 | 169.8 | 0 | 0 | 0 | 107.3 | G5 L105 Q126 | G5-I7 PolarHBondContact O-N 3.1Å; I7-L105 HydrophobicContact CD1-CB 4.47Å; I7-L105 HydrophobicContact CD1-CD2 4.27Å; I7-L105 HydrophobicContact CG2-CB 4.43Å; I7-L105 HydrophobicContact CG2-CD1 4.1Å; I7-Q126 PolarHBondContact O-NE2 3.43Å; I7-Q126 PolarHBondContact O-OE1 3.07Å | ||
| 8 | Q | 72.7 | Confident | 67.3 | Low | 170 Ų | 170 | 73.6 Ų | 73.6 | 79% | 0.794 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -101.5 | 120.1 | 175.5 | -163.3 | 174.7 | 14.3 | 0 | 0 | 109.6 | G6 | G6-Q8 PolarHBondContact O-N 3.2Å; G6-Q8 VanDerWaalsContact O-N 3.16Å |
| 9 | I | 82.3 | Confident | 67.7 | Low | 10 Ų | 10 | 74.3 Ų | 74.3 | 5% | 0.051 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -86.8 | 149.2 | 176.9 | 63.3 | 176.5 | 0 | 0 | 0 | 111.5 | L13 A82 C106 F108 V124 Q126 | I9-L13 HydrophobicContact CD1-CD1 4.24Å; I9-A82 HydrophobicContact CD1-CB 4.41Å; I9-A82 HydrophobicContact CG2-CB 3.86Å; I9-C106 WeakPolarHBondContact CG2-SG 3.33Å; I9-F108 HydrophobicContact CD1-CB 3.75Å; I9-F108 HydrophobicContact CD1-CG 4.5Å; I9-V124 HydrophobicContact CD1-CG2 4.24Å; I9-Q126 HydrophobicContact CD1-CB 3.83Å; I9-Q126 HydrophobicContact CD1-CG 4.21Å; I9-Q126 HydrophobicContact CG1-CB 3.88Å; I9-Q126 HydrophobicContact CG1-CG 4.26Å |
| 10 | P | 83.8 | Confident | 67.8 | Low | 66 Ų | 66 | 77.5 Ų | 77.5 | 43% | 0.429 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 142.5 | 169.2 | -22 | 31.8 | 0 | 0 | 0 | 112.1 | R12 L13 V124 | P10-R12 PolarHBondContact O-N 3.42Å; P10-R12 VanDerWaalsContact O-N 3.08Å; P10-L13 HydrophobicContact CB-CD2 4.37Å; P10-L13 HydrophobicContact CG-CD2 4.31Å; P10-V124 WeakPolarHBondContact O-CG2 3.12Å |
| 11 | N | 83.4 | Confident | 68.3 | Low | 114 Ų | 114 | 74.8 Ų | 74.8 | 61% | 0.61 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -62.8 | -15.8 | 176 | -63.6 | -3.5 | 0 | 0 | 0 | 113.4 | E123 V124 | N11-E123 CarbonylContact O-C 3.56Å; N11-E123 VanDerWaalsContact O-CA 3.29Å; N11-E123 WeakPolarHBondContact O-CA 3.32Å; N11-V124 PolarHBondContact O-N 3.25Å |
| 12 | R | 88.1 | Confident | 71.1 | Confident | 159 Ų | 159 | 63.7 Ų | 63.7 | 60% | 0.6 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 117.6 | 178.1 | -61.7 | -177.5 | -179.2 | 177.9 | 0 | 109.5 | P10 L114 A122 | P10-R12 PolarHBondContact O-N 3.42Å; P10-R12 VanDerWaalsContact O-N 3.08Å; R12-L114 HydrophobicContact CG-CD1 3.82Å; R12-A122 WeakPolarHBondContact CA-O 3.45Å |
| 13 | L | 87.9 | Confident | 73.9 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 136.5 | 180 | -72.5 | -176.1 | 0 | 0 | 0 | 111.9 | I9 P10 L15 I56 A82 F108 A122 V124 | I9-L13 HydrophobicContact CD1-CD1 4.24Å; P10-L13 HydrophobicContact CB-CD2 4.37Å; P10-L13 HydrophobicContact CG-CD2 4.31Å; L13-L15 HydrophobicContact CB-CD2 4.47Å; L13-I56 HydrophobicContact CD1-CG2 4.4Å; L13-I56 HydrophobicContact CD2-CB 4.23Å; L13-I56 HydrophobicContact CD2-CG2 3.84Å; L13-A82 HydrophobicContact CD1-CB 4.03Å; L13-F108 HydrophobicContact CD1-CD1 4.31Å; L13-F108 HydrophobicContact CD1-CE1 4.38Å; L13-A122 PolarHBondContact N-O 3.03Å; L13-A122 PolarHBondContact O-N 3.04Å; L13-A122 VanDerWaalsContact O-N 3.07Å; L13-V124 HydrophobicContact CB-CG1 4.31Å; L13-V124 HydrophobicContact CB-CG2 4.1Å; L13-V124 HydrophobicContact CD1-CG2 3.76Å; L13-V124 HydrophobicContact CG-CG2 3.69Å |
| 14 | P | 90.6 | Very high | 76.8 | Confident | 12 Ų | 12 | 53.3 Ų | 53.3 | 8% | 0.078 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 131 | 165.1 | 32 | -33.7 | 0 | 0 | 0 | 108.8 | L41 I57 G58 F119 V120 L121 | P14-L41 HydrophobicContact CB-CD1 3.85Å; P14-L41 HydrophobicContact CB-CG 4.36Å; P14-I57 HydrophobicContact CG-CB 4.47Å; P14-I57 HydrophobicContact CG-CG2 4Å; P14-G58 PolarHBondContact O-N 3.33Å; P14-F119 HydrophobicContact CB-CD2 4.02Å; P14-F119 HydrophobicContact CB-CE2 3.82Å; P14-V120 CarbonylContact C-O 3.46Å; P14-V120 WeakPolarHBondContact CA-O 3.48Å; P14-L121 HydrophobicContact CB-CD1 4.45Å |
| 15 | L | 89.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.5 | -175.1 | -59.4 | -173.2 | 0 | 0 | 0 | 111.4 | L13 L17 L41 G58 I60 F108 V110 L113 V120 A122 | L13-L15 HydrophobicContact CB-CD2 4.47Å; L15-L17 HydrophobicContact CB-CD2 4.49Å; L15-L41 WeakPolarHBondContact O-CD1 3.47Å; L15-G58 CarbonylContact C-O 3.57Å; L15-G58 VanDerWaalsContact CA-O 3.3Å; L15-G58 WeakPolarHBondContact CA-O 3.29Å; L15-I60 HydrophobicContact CB-CG1 4.34Å; L15-I60 HydrophobicContact CD1-CD1 4.29Å; L15-I60 HydrophobicContact CD1-CG1 3.95Å; L15-I60 HydrophobicContact CD2-CD1 4.33Å; L15-I60 HydrophobicContact CD2-CG1 4.25Å; L15-I60 HydrophobicContact CG-CG1 4.42Å; L15-F108 HydrophobicContact CD2-CE2 3.99Å; L15-F108 HydrophobicContact CD2-CZ 3.74Å; L15-V110 HydrophobicContact CD1-CG2 4.28Å; L15-L113 HydrophobicContact CD1-CD2 4.3Å; L15-V120 HydrophobicContact CB-CB 4.16Å; L15-V120 HydrophobicContact CB-CG1 4.12Å; L15-V120 HydrophobicContact CD1-CG1 4.04Å; L15-V120 HydrophobicContact CG-CG1 4.37Å; L15-V120 PolarHBondContact N-O 3.4Å; L15-A122 HydrophobicContact CD1-CB 3.42Å; L15-A122 VanDerWaalsContact CD1-CB 3.42Å; L15-A122 HydrophobicContact CD2-CB 4.36Å; L15-A122 HydrophobicContact CG-CB 3.86Å |
| 16 | L | 89.7 | Confident | 81.4 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 113.6 | 166 | -174.8 | 76.7 | 0 | 0 | 0 | 108.4 | T18 F31 V33 N38 G58 V59 I60 L100 I102 | L16-T18 HydrophobicContact CD2-CG2 3.89Å; L16-T18 HydrophobicContact CG-CG2 3.95Å; L16-F31 HydrophobicContact CD2-CB 4.26Å; L16-F31 HydrophobicContact CD2-CG 4.45Å; L16-V33 HydrophobicContact CD1-CG2 3.87Å; L16-N38 HydrophobicContact CD1-CB 3.83Å; L16-G58 PolarHBondContact N-O 3.3Å; L16-V59 HydrophobicContact CB-CG2 4.47Å; L16-V59 HydrophobicContact CD2-CG2 4.3Å; L16-I60 PolarHBondContact O-N 3.22Å; L16-L100 HydrophobicContact CD1-CD1 4.21Å; L16-L100 HydrophobicContact CD2-CD1 4.06Å; L16-I102 HydrophobicContact CD2-CD1 3.6Å |
| 17 | L | 88.2 | Confident | 82.8 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 124.3 | 177.7 | -57.7 | -176.2 | 0 | 0 | 0 | 109.7 | L15 N38 I60 T63 D65 L73 V76 V120 | L15-L17 HydrophobicContact CB-CD2 4.49Å; L17-N38 PolarHBondContact N-OD1 3.15Å; L17-N38 PolarHBondContact O-ND2 3.38Å; L17-I60 HydrophobicContact CD2-CB 3.92Å; L17-I60 HydrophobicContact CD2-CG1 4.1Å; L17-I60 HydrophobicContact CD2-CG2 4.42Å; L17-T63 HydrophobicContact CD1-CG2 4.29Å; L17-T63 HydrophobicContact CD2-CG2 4.15Å; L17-D65 HydrophobicContact CB-CB 4.26Å; L17-D65 HydrophobicContact CD1-CB 4.43Å; L17-L73 HydrophobicContact CD1-CD2 3.51Å; L17-V76 HydrophobicContact CD2-CG1 4.3Å; L17-V120 HydrophobicContact CD1-CG2 4.07Å |
| 18 | T | 83.8 | Confident | 83.9 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 5% | 0.049 | 24% | 0.242 | C | C | . | . | trans | -127.6 | 135 | -175.9 | 63.1 | 0 | 0 | 0 | 0 | 110.7 | L16 F31 V59 I60 P61 N62 T63 | L16-T18 HydrophobicContact CD2-CG2 3.89Å; L16-T18 HydrophobicContact CG-CG2 3.95Å; T18-F31 HydrophobicContact CG2-CD1 3.57Å; T18-F31 HydrophobicContact CG2-CE1 3.92Å; T18-F31 HydrophobicContact CG2-CG 4.17Å; T18-V59 HydrophobicContact CG2-CG1 4.02Å; T18-I60 PolarHBondContact N-O 3.22Å; T18-I60 PolarHBondContact OG1-O 2.98Å; T18-P61 CarbonylContact O-C 3.57Å; T18-N62 PolarHBondContact O-N 2.92Å; T18-T63 CarbonylContact C-O 3.55Å; T18-T63 PolarHBondContact N-O 3.24Å; T18-T63 PolarHBondContact O-N 2.86Å | ||
| 19 | H | 75.1 | Confident | 84.5 | Confident | 88 Ų | 88 | 39 Ų | 39 | 41% | 0.407 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -97.3 | -24.5 | 174.5 | 70.7 | -77.7 | 0 | 0 | 0 | 112.1 | R64 | H19-R64 HydrophobicContact CB-CB 3.85Å; H19-R64 HydrophobicContact CB-CG 4.16Å |
| 20 | E | 69.4 | Low | 84.8 | Confident | 137 Ų | 137 | 47 Ų | 47 | 64% | 0.64 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -116.1 | 126.2 | 178.6 | -77.9 | -179.6 | -179.4 | 0 | 0 | 111.4 | ||
| 21 | G | 77.6 | Confident | 84.9 | Confident | 21 Ų | 21 | 44.2 Ų | 44.2 | 22% | 0.216 | 23% | 0.226 | C | C | . | . | trans | 91 | 151.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 22 | V | 86.4 | Confident | 85.1 | Confident | 12 Ų | 12 | 42.5 Ų | 42.5 | 7% | 0.073 | 22% | 0.223 | C | C | . | . | trans | -124 | 121.6 | 175.3 | -177.9 | 0 | 0 | 0 | 0 | 107.2 | L24 P61 N200 K203 L207 | V22-L24 HydrophobicContact CG1-CD2 4.36Å; V22-P61 HydrophobicContact CG1-CB 4.4Å; V22-P61 HydrophobicContact CG2-CB 4.13Å; V22-N200 HydrophobicContact CG2-CB 4.48Å; V22-K203 HydrophobicContact CB-CB 3.91Å; V22-K203 HydrophobicContact CG1-CB 4.28Å; V22-K203 HydrophobicContact CG2-CB 4.03Å; V22-L207 HydrophobicContact CG1-CB 4.23Å; V22-L207 HydrophobicContact CG1-CD2 4.03Å | ||
| 23 | L | 89.3 | Confident | 85 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -84.1 | 117 | 173.3 | -175.7 | 64.8 | 0 | 0 | 0 | 108.7 | V29 F31 V59 T81 I102 | L23-V29 HydrophobicContact CD1-CB 4.04Å; L23-V29 HydrophobicContact CD1-CG2 3.92Å; L23-F31 HydrophobicContact CB-CE2 4.06Å; L23-F31 HydrophobicContact CB-CZ 3.88Å; L23-F31 HydrophobicContact CD1-CE2 4.35Å; L23-V59 HydrophobicContact CB-CB 4.36Å; L23-V59 HydrophobicContact CB-CG1 4.25Å; L23-V59 HydrophobicContact CD2-CB 4.01Å; L23-V59 HydrophobicContact CD2-CG2 3.69Å; L23-T81 HydrophobicContact CB-CG2 4.47Å; L23-T81 HydrophobicContact CD2-CG2 3.93Å; L23-T81 HydrophobicContact CG-CG2 3.88Å; L23-T81 VanDerWaalsContact O-CB 3.25Å; L23-T81 WeakPolarHBondContact O-CB 3.39Å; L23-T81 PolarHBondContact O-OG1 3.48Å; L23-I102 HydrophobicContact CD2-CB 4.35Å; L23-I102 HydrophobicContact CD2-CG2 3.65Å |
| 24 | L | 88.4 | Confident | 84.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -98.1 | 149.6 | 172.1 | -66 | 172.7 | 0 | 0 | 0 | 110.3 | V22 S27 D190 A193 V206 L207 | V22-L24 HydrophobicContact CG1-CD2 4.36Å; L24-S27 PolarHBondContact N-OG 2.93Å; L24-S27 WeakPolarHBondContact O-CB 3.43Å; L24-S27 PolarHBondContact O-N 3.44Å; L24-S27 VanDerWaalsContact O-N 3.11Å; L24-S27 PolarHBondContact O-OG 3.47Å; L24-D190 HydrophobicContact CB-CB 4.46Å; L24-D190 WeakPolarHBondContact CD1-O 3.19Å; L24-A193 HydrophobicContact CD1-CB 3.91Å; L24-V206 HydrophobicContact CD1-CG1 4.37Å; L24-V206 HydrophobicContact CD2-CB 4.47Å; L24-V206 HydrophobicContact CD2-CG1 4.27Å; L24-L207 HydrophobicContact CD2-CB 3.92Å; L24-L207 HydrophobicContact CD2-CD1 4.19Å |
| 25 | P | 86.4 | Confident | 84.4 | Confident | 12 Ų | 12 | 39.4 Ų | 39.4 | 8% | 0.078 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | 140.6 | 173.3 | -29.5 | 39.5 | 0 | 0 | 0 | 112.8 | S27 T81 R107 | P25-S27 PolarHBondContact O-N 3.31Å; P25-S27 VanDerWaalsContact O-N 3.14Å; P25-T81 HydrophobicContact CG-CG2 4.22Å; P25-R107 HydrophobicContact CG-CG 3.93Å |
| 26 | G | 78.7 | Confident | 83.9 | Confident | 48 Ų | 48 | 41 Ų | 41 | 50% | 0.495 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | -9.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | G104 | G26-G104 PolarHBondContact N-O 2.62Š|
| 27 | S | 84.4 | Confident | 83.6 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | trans | -91.9 | 156.1 | 176.6 | 78.3 | 0 | 0 | 0 | 0 | 112.1 | L24 P25 T103 G104 S194 | L24-S27 PolarHBondContact N-OG 2.93Å; L24-S27 WeakPolarHBondContact O-CB 3.43Å; L24-S27 PolarHBondContact O-N 3.44Å; L24-S27 VanDerWaalsContact O-N 3.11Å; L24-S27 PolarHBondContact O-OG 3.47Å; P25-S27 PolarHBondContact O-N 3.31Å; P25-S27 VanDerWaalsContact O-N 3.14Å; S27-T103 WeakPolarHBondContact O-CA 3.44Å; S27-G104 PolarHBondContact O-N 2.83Å; S27-S194 VanDerWaalsContact CB-OG 3.3Å; S27-S194 WeakPolarHBondContact CB-OG 3.38Å | ||
| 28 | T | 85.9 | Confident | 83.5 | Confident | 75 Ų | 75 | 41.2 Ų | 41.2 | 46% | 0.46 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 122.8 | 173.9 | -56.5 | 0 | 0 | 0 | 0 | 109.5 | L101 I102 T103 | T28-L101 HydrophobicContact CG2-CD1 3.59Å; T28-L101 HydrophobicContact CG2-CD2 4.28Å; T28-L101 HydrophobicContact CG2-CG 3.69Å; T28-I102 WeakPolarHBondContact CA-O 3.39Å; T28-T103 WeakPolarHBondContact CG2-OG1 3.45Å; T28-T103 PolarHBondContact OG1-OG1 3.28Å |
| 29 | V | 85.9 | Confident | 83.6 | Confident | 39 Ų | 39 | 43 Ų | 43 | 24% | 0.236 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 147.1 | -173.7 | -178.2 | 0 | 0 | 0 | 0 | 110 | L23 F31 I102 | L23-V29 HydrophobicContact CD1-CB 4.04Å; L23-V29 HydrophobicContact CD1-CG2 3.92Å; V29-F31 HydrophobicContact CB-CD2 4.49Å; V29-F31 HydrophobicContact CB-CE2 3.8Å; V29-F31 HydrophobicContact CB-CZ 4.1Å; V29-F31 HydrophobicContact CG1-CD2 4.35Å; V29-F31 HydrophobicContact CG1-CE1 4.26Å; V29-F31 HydrophobicContact CG1-CE2 3.82Å; V29-F31 HydrophobicContact CG1-CZ 3.77Å; V29-I102 PolarHBondContact N-O 3.38Å; V29-I102 PolarHBondContact O-N 3.05Å |
| 30 | R | 88 | Confident | 84 | Confident | 180 Ų | 180 | 42.1 Ų | 42.1 | 68% | 0.679 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 128.7 | 172.2 | -70.5 | -176.7 | -176.7 | 177.8 | -0 | 110 | T99 L100 L101 | R30-T99 HydrophobicContact CB-CG2 4.36Å; R30-L100 CarbonylContact C-O 3.5Å; R30-L100 VanDerWaalsContact CA-O 3.26Å; R30-L100 WeakPolarHBondContact CA-O 3.26Å; R30-L101 HydrophobicContact CG-CD1 3.43Å; R30-L101 VanDerWaalsContact CG-CD1 3.43Å |
| 31 | F | 87.2 | Confident | 84.8 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 3% | 0.031 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 131 | 175 | -68 | -79.2 | 0 | 0 | 0 | 110 | L16 T18 L23 V29 V59 T99 L100 I102 | L16-F31 HydrophobicContact CD2-CB 4.26Å; L16-F31 HydrophobicContact CD2-CG 4.45Å; T18-F31 HydrophobicContact CG2-CD1 3.57Å; T18-F31 HydrophobicContact CG2-CE1 3.92Å; T18-F31 HydrophobicContact CG2-CG 4.17Å; L23-F31 HydrophobicContact CB-CE2 4.06Å; L23-F31 HydrophobicContact CB-CZ 3.88Å; L23-F31 HydrophobicContact CD1-CE2 4.35Å; V29-F31 HydrophobicContact CB-CD2 4.49Å; V29-F31 HydrophobicContact CB-CE2 3.8Å; V29-F31 HydrophobicContact CB-CZ 4.1Å; V29-F31 HydrophobicContact CG1-CD2 4.35Å; V29-F31 HydrophobicContact CG1-CE1 4.26Å; V29-F31 HydrophobicContact CG1-CE2 3.82Å; V29-F31 HydrophobicContact CG1-CZ 3.77Å; F31-V59 HydrophobicContact CE1-CG1 4.34Å; F31-V59 HydrophobicContact CE2-CG1 4.19Å; F31-V59 HydrophobicContact CZ-CG1 3.94Å; F31-T99 WeakPolarHBondContact O-CA 3.45Å; F31-L100 PolarHBondContact N-O 3.25Å; F31-L100 PolarHBondContact O-N 3.12Å; F31-I102 HydrophobicContact CD2-CB 4.41Å; F31-I102 HydrophobicContact CD2-CD1 3.77Å; F31-I102 HydrophobicContact CD2-CG1 4.27Å; F31-I102 HydrophobicContact CE2-CD1 4.37Å |
| 32 | S | 85.9 | Confident | 85.1 | Confident | 77 Ų | 77 | 34.6 Ų | 34.6 | 54% | 0.538 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 136.8 | 167 | -169.2 | 0 | 0 | 0 | 0 | 109.3 | ||
| 33 | V | 86.6 | Confident | 84.9 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 102.1 | -178.4 | 175.6 | 0 | 0 | 0 | 0 | 108.9 | L16 N38 M39 V42 H97 Y98 L100 | L16-V33 HydrophobicContact CD1-CG2 3.87Å; V33-N38 HydrophobicContact CG1-CB 3.47Å; V33-N38 VanDerWaalsContact CG1-CB 3.47Å; V33-M39 HydrophobicContact CG1-CG 4.17Å; V33-V42 HydrophobicContact CG1-CG2 4.09Å; V33-H97 CarbonylContact O-C 3.51Å; V33-H97 VanDerWaalsContact O-CA 3.28Å; V33-H97 WeakPolarHBondContact O-CA 3.38Å; V33-H97 WeakPolarHBondContact O-CB 3.5Å; V33-Y98 WeakPolarHBondContact CA-O 3.5Å; V33-Y98 WeakPolarHBondContact CB-O 3.41Å; V33-Y98 PolarHBondContact N-O 2.93Å; V33-Y98 PolarHBondContact O-N 3.41Å; V33-L100 HydrophobicContact CG2-CD1 3.62Å; V33-L100 HydrophobicContact CG2-CG 3.85Å |
| 34 | D | 82.7 | Confident | 84.4 | Confident | 97 Ų | 97 | 39.1 Ų | 39.1 | 52% | 0.519 | 22% | 0.22 | S | C | . | . | trans | -122 | -21.5 | -174.6 | 55.6 | -14 | 0 | 0 | 0 | 112.7 | M39 H97 | D34-M39 WeakPolarHBondContact O-CE 3.28Å; D34-H97 HydrophobicContact CB-CB 4.43Å | ||
| 35 | S | 82.8 | Confident | 84 | Confident | 10 Ų | 10 | 45.4 Ų | 45.4 | 7% | 0.07 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -73.7 | 145.4 | 178.8 | 80.2 | 0 | 0 | 0 | 0 | 112.8 | R37 N38 M39 D65 | S35-R37 PolarHBondContact O-N 3Å; S35-N38 PolarHBondContact O-N 3.45Å; S35-N38 VanDerWaalsContact OG-CB 3.26Å; S35-N38 WeakPolarHBondContact OG-CB 3.32Å; S35-N38 VanDerWaalsContact OG-CG 3.28Å; S35-N38 PolarHBondContact OG-N 3.44Å; S35-N38 PolarHBondContact OG-ND2 2.68Å; S35-M39 WeakPolarHBondContact O-CB 3.34Å; S35-M39 VanDerWaalsContact O-CG 3.3Å; S35-M39 WeakPolarHBondContact O-CG 3.31Å; S35-M39 PolarHBondContact O-N 3.33Å; S35-D65 WeakPolarHBondContact CB-OD2 3.27Å; S35-D65 PolarHBondContact OG-OD2 2.91Å |
| 36 | P | 80.3 | Confident | 83.5 | Confident | 34 Ų | 34 | 45.1 Ų | 45.1 | 22% | 0.221 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.2 | -39.7 | -175.2 | 21.7 | -31.8 | 0 | 0 | 0 | 113.3 | M39 Q40 D69 | P36-M39 PolarHBondContact O-N 3.05Å; P36-Q40 WeakPolarHBondContact O-CG 3.49Å; P36-Q40 PolarHBondContact O-N 2.9Å; P36-D69 HydrophobicContact CG-CB 4.14Å |
| 37 | R | 83.1 | Confident | 83.4 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.011 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.5 | -44.2 | 179.3 | -62.7 | 178.5 | -177.9 | 166.5 | 1.1 | 111.9 | S35 M39 Q40 L41 D65 D69 D71 L73 F119 | S35-R37 PolarHBondContact O-N 3Å; R37-M39 VanDerWaalsContact C-N 3.34Å; R37-M39 PolarHBondContact O-N 3.43Å; R37-Q40 PolarHBondContact O-N 3.03Å; R37-L41 PolarHBondContact O-N 3.34Å; R37-D65 IonicContact NH1-OD1 3.97Å; R37-D69 WeakPolarHBondContact CG-OD1 3.33Å; R37-D69 IonicContact CZ-OD1 2.91Å; R37-D69 IonicContact NE-OD1 3.94Å; R37-D69 PolarHBondContact NE-OD1 3.11Å; R37-D69 PolarHBondContact NH2-O 3.15Å; R37-D69 IonicContact NH2-OD1 3.61Å; R37-D71 PolarHBondContact NH2-O 2.81Å; R37-L73 VanDerWaalsContact NH1-CG 3.28Å; R37-F119 WeakPolarHBondContact O-CB 3.49Å |
| 38 | N | 85.8 | Confident | 82.5 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.043 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.5 | -36.3 | 175.7 | -70.6 | -30 | 0 | 0 | 0 | 111.3 | L16 L17 V33 S35 Q40 L41 V42 | L16-N38 HydrophobicContact CD1-CB 3.83Å; L17-N38 PolarHBondContact N-OD1 3.15Å; L17-N38 PolarHBondContact O-ND2 3.38Å; V33-N38 HydrophobicContact CG1-CB 3.47Å; V33-N38 VanDerWaalsContact CG1-CB 3.47Å; S35-N38 PolarHBondContact O-N 3.45Å; S35-N38 VanDerWaalsContact OG-CB 3.26Å; S35-N38 WeakPolarHBondContact OG-CB 3.32Å; S35-N38 VanDerWaalsContact OG-CG 3.28Å; S35-N38 PolarHBondContact OG-N 3.44Å; S35-N38 PolarHBondContact OG-ND2 2.68Å; N38-Q40 VanDerWaalsContact C-N 3.34Å; N38-Q40 PolarHBondContact O-N 3.06Å; N38-L41 WeakPolarHBondContact O-CB 3.45Å; N38-L41 PolarHBondContact O-N 3.45Å; N38-V42 WeakPolarHBondContact O-CG2 3.5Å; N38-V42 PolarHBondContact O-N 3.06Å |
| 39 | M | 84.9 | Confident | 81.1 | Confident | 44 Ų | 44 | 53.1 Ų | 53.1 | 22% | 0.217 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.1 | -38.9 | 172.9 | -75.5 | -166 | -69.1 | 0 | 0 | 112.2 | V33 D34 S35 P36 R37 V42 G43 P96 Y98 | V33-M39 HydrophobicContact CG1-CG 4.17Å; D34-M39 WeakPolarHBondContact O-CE 3.28Å; S35-M39 WeakPolarHBondContact O-CB 3.34Å; S35-M39 VanDerWaalsContact O-CG 3.3Å; S35-M39 WeakPolarHBondContact O-CG 3.31Å; S35-M39 PolarHBondContact O-N 3.33Å; P36-M39 PolarHBondContact O-N 3.05Å; R37-M39 VanDerWaalsContact C-N 3.34Å; R37-M39 PolarHBondContact O-N 3.43Å; M39-V42 PolarHBondContact O-N 3.16Å; M39-G43 PolarHBondContact O-N 3.23Å; M39-P96 HydrophobicContact SD-CB 4.34Å; M39-P96 HydrophobicContact SD-CG 4.45Å; M39-Y98 HydrophobicContact CG-CD2 4.23Å |
| 40 | Q | 84.5 | Confident | 79.2 | Confident | 71 Ų | 71 | 58.7 Ų | 58.7 | 33% | 0.332 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.2 | -35.7 | 174.5 | -73.4 | -176.8 | 21.5 | 0 | 0 | 112.3 | P36 R37 N38 G43 Q44 P118 | P36-Q40 WeakPolarHBondContact O-CG 3.49Å; P36-Q40 PolarHBondContact O-N 2.9Å; R37-Q40 PolarHBondContact O-N 3.03Å; N38-Q40 VanDerWaalsContact C-N 3.34Å; N38-Q40 PolarHBondContact O-N 3.06Å; Q40-G43 PolarHBondContact O-N 3.35Å; Q40-Q44 VanDerWaalsContact O-CB 3.31Å; Q40-Q44 WeakPolarHBondContact O-CB 3.36Å; Q40-Q44 WeakPolarHBondContact O-CG 3.27Å; Q40-Q44 PolarHBondContact O-N 2.89Å; Q40-P118 HydrophobicContact CB-CB 4.35Å; Q40-P118 VanDerWaalsContact OE1-CA 3.23Å; Q40-P118 PolarHBondContact OE1-O 2.92Å; Q40-P118 VanDerWaalsContact OE1-O 3.05Å |
| 41 | L | 85.8 | Confident | 77.6 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.1 | -49.4 | 170.7 | -179.3 | 153.4 | 0 | 0 | 0 | 110.8 | P14 L15 R37 N38 R45 L46 I57 F119 | P14-L41 HydrophobicContact CB-CD1 3.85Å; P14-L41 HydrophobicContact CB-CG 4.36Å; L15-L41 WeakPolarHBondContact O-CD1 3.47Å; R37-L41 PolarHBondContact O-N 3.34Å; N38-L41 WeakPolarHBondContact O-CB 3.45Å; N38-L41 PolarHBondContact O-N 3.45Å; L41-R45 WeakPolarHBondContact O-CB 3.41Å; L41-R45 PolarHBondContact O-N 3.17Å; L41-L46 HydrophobicContact CD2-CD1 4.46Å; L41-I57 HydrophobicContact CD2-CG2 4.46Å; L41-F119 HydrophobicContact CB-CB 3.76Å; L41-F119 HydrophobicContact CB-CD1 4.31Å; L41-F119 HydrophobicContact CB-CD2 4.47Å; L41-F119 HydrophobicContact CB-CG 3.93Å; L41-F119 HydrophobicContact CD1-CB 4.47Å; L41-F119 HydrophobicContact CD1-CD2 4.37Å; L41-F119 HydrophobicContact CG-CG 4.43Å |
| 42 | V | 84.9 | Confident | 76.2 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -61.9 | -49.4 | 178.3 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | V33 N38 M39 Q44 L46 L47 V88 Y98 L100 | V33-V42 HydrophobicContact CG1-CG2 4.09Å; N38-V42 WeakPolarHBondContact O-CG2 3.5Å; N38-V42 PolarHBondContact O-N 3.06Å; M39-V42 PolarHBondContact O-N 3.16Å; V42-Q44 PolarHBondContact O-N 3.02Å; V42-L46 HydrophobicContact CG1-CB 4.38Å; V42-L46 HydrophobicContact CG1-CD1 4.39Å; V42-L46 HydrophobicContact CG2-CD1 4.19Å; V42-L46 WeakPolarHBondContact O-CA 3.45Å; V42-L46 WeakPolarHBondContact O-CB 3.44Å; V42-L46 PolarHBondContact O-N 3.29Å; V42-L47 HydrophobicContact CG1-CD1 4.29Å; V42-L47 HydrophobicContact CG1-CG 4.19Å; V42-L47 PolarHBondContact O-N 2.94Å; V42-V88 HydrophobicContact CG1-CG1 3.72Å; V42-Y98 HydrophobicContact CB-CD2 4.05Å; V42-Y98 HydrophobicContact CB-CE2 4.39Å; V42-Y98 HydrophobicContact CB-CG 4.36Å; V42-Y98 HydrophobicContact CG1-CD1 3.97Å; V42-Y98 HydrophobicContact CG1-CD2 3.88Å; V42-Y98 HydrophobicContact CG1-CE1 4.26Å; V42-Y98 HydrophobicContact CG1-CE2 4.17Å; V42-Y98 HydrophobicContact CG1-CG 3.78Å; V42-Y98 HydrophobicContact CG2-CD2 4.44Å; V42-L100 HydrophobicContact CG1-CD2 4.3Å; V42-L100 HydrophobicContact CG2-CD1 3.82Å; V42-L100 HydrophobicContact CG2-CD2 3.94Å; V42-L100 HydrophobicContact CG2-CG 4.23Å |
| 43 | G | 80.4 | Confident | 74.6 | Confident | 24 Ų | 24 | 60.2 Ų | 60.2 | 25% | 0.247 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -62.1 | -42.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | M39 Q40 | M39-G43 PolarHBondContact O-N 3.23Å; Q40-G43 PolarHBondContact O-N 3.35Å |
| 44 | Q | 79.4 | Confident | 73.3 | Confident | 87 Ų | 87 | 64.1 Ų | 64.1 | 41% | 0.407 | 34% | 0.343 | S | S | . | . | I | π-helix | trans | -88 | -33.8 | -175.4 | -66.9 | -168.8 | 2 | 0 | 0 | 113.9 | Q40 V42 F119 | Q40-Q44 VanDerWaalsContact O-CB 3.31Å; Q40-Q44 WeakPolarHBondContact O-CB 3.36Å; Q40-Q44 WeakPolarHBondContact O-CG 3.27Å; Q40-Q44 PolarHBondContact O-N 2.89Å; V42-Q44 PolarHBondContact O-N 3.02Å; Q44-F119 HydrophobicContact CB-CE1 4.08Å |
| 45 | R | 79.2 | Confident | 72.9 | Confident | 132 Ų | 132 | 60.9 Ų | 60.9 | 50% | 0.498 | 33% | 0.327 | S | S | . | . | I | π-helix | trans | -104.3 | -35.5 | -174.5 | -70 | -61.6 | -168.5 | -177.1 | -0.4 | 114.4 | L41 F119 | L41-R45 WeakPolarHBondContact O-CB 3.41Å; L41-R45 PolarHBondContact O-N 3.17Å; R45-F119 HydrophobicContact CG-CE1 4.19Å; R45-F119 HydrophobicContact CG-CE2 4.28Å; R45-F119 HydrophobicContact CG-CZ 3.74Å |
| 46 | L | 77.4 | Confident | 73 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | I | π-helix | trans | -95.3 | -37.4 | -176.3 | -60.4 | 179.2 | 0 | 0 | 0 | 112.8 | L41 V42 L52 T55 I57 A85 V88 L100 | L41-L46 HydrophobicContact CD2-CD1 4.46Å; V42-L46 HydrophobicContact CG1-CB 4.38Å; V42-L46 HydrophobicContact CG1-CD1 4.39Å; V42-L46 HydrophobicContact CG2-CD1 4.19Å; V42-L46 WeakPolarHBondContact O-CA 3.45Å; V42-L46 WeakPolarHBondContact O-CB 3.44Å; V42-L46 PolarHBondContact O-N 3.29Å; L46-L52 HydrophobicContact CB-CD2 4.46Å; L46-T55 HydrophobicContact CD2-CG2 3.98Å; L46-I57 HydrophobicContact CD2-CG2 4.23Å; L46-A85 HydrophobicContact CD1-CB 4.01Å; L46-A85 HydrophobicContact CD2-CB 3.92Å; L46-V88 HydrophobicContact CB-CG2 4.37Å; L46-V88 HydrophobicContact CD1-CG2 4.17Å; L46-L100 HydrophobicContact CD1-CD1 4.2Å; L46-L100 HydrophobicContact CD1-CD2 3.78Å |
| 47 | L | 75.6 | Confident | 73.5 | Confident | 92 Ų | 92 | 60.4 Ų | 60.4 | 48% | 0.482 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -88.8 | -24.5 | -176.5 | -64.5 | 180 | 0 | 0 | 0 | 114.6 | V42 V88 Y98 | V42-L47 HydrophobicContact CG1-CD1 4.29Å; V42-L47 HydrophobicContact CG1-CG 4.19Å; V42-L47 PolarHBondContact O-N 2.94Å; L47-V88 HydrophobicContact CD2-CG1 4.27Å; L47-Y98 HydrophobicContact CD1-CE1 3.85Å |
| 48 | K | 66.9 | Low | 73.8 | Confident | 166 Ų | 166 | 60.2 Ų | 60.2 | 72% | 0.722 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -90 | -10.6 | 176.5 | -71.3 | -175.9 | -179.3 | -172.9 | 0 | 114.1 | ||
| 49 | G | 55.3 | Low | 74.1 | Confident | 38 Ų | 38 | 60 Ų | 60 | 39% | 0.392 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -76 | 150.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S51 | G49-S51 PolarHBondContact O-N 3.47Š|
| 50 | T | 46.9 | Very low | 74.3 | Confident | 157 Ų | 157 | 57.9 Ų | 57.9 | 96% | 0.963 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -73 | -9.1 | -179.7 | 42.2 | 0 | 0 | 0 | 0 | 114.1 | ||
| 51 | S | 54.7 | Low | 74.4 | Confident | 53 Ų | 53 | 54.6 Ų | 54.6 | 37% | 0.371 | 29% | 0.294 | S | S | . | . | trans | -161.6 | 130.2 | 171.8 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | G49 K53 S54 | G49-S51 PolarHBondContact O-N 3.47Å; S51-K53 PolarHBondContact O-N 3.33Å; S51-K53 PolarHBondContact OG-N 2.96Å; S51-S54 PolarHBondContact O-N 3.15Å; S51-S54 PolarHBondContact O-OG 3.35Å; S51-S54 VanDerWaalsContact O-OG 3.1Å | ||
| 52 | L | 56.8 | Low | 73.9 | Confident | 67 Ų | 67 | 60.1 Ų | 60.1 | 35% | 0.351 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -61.4 | -24.5 | 174 | -73.8 | 166.9 | 0 | 0 | 0 | 112.6 | L46 S54 A85 V88 | L46-L52 HydrophobicContact CB-CD2 4.46Å; L52-S54 PolarHBondContact O-N 3.48Å; L52-A85 VanDerWaalsContact O-O 3.12Å; L52-V88 HydrophobicContact CD2-CG2 3.84Å |
| 53 | K | 51.5 | Low | 73.5 | Confident | 175 Ų | 175 | 60.3 Ų | 60.3 | 76% | 0.761 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -79.9 | -9 | -174.1 | -68.4 | -175.9 | 179.1 | 177.4 | 0 | 114.8 | S51 | S51-K53 PolarHBondContact O-N 3.33Å; S51-K53 PolarHBondContact OG-N 2.96Å |
| 54 | S | 59.6 | Low | 73 | Confident | 83 Ų | 83 | 66.1 Ų | 66.1 | 58% | 0.58 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -108.3 | -8 | -174.4 | 49.9 | 0 | 0 | 0 | 0 | 115 | S51 L52 | S51-S54 PolarHBondContact O-N 3.15Å; S51-S54 PolarHBondContact O-OG 3.35Å; S51-S54 VanDerWaalsContact O-OG 3.1Å; L52-S54 PolarHBondContact O-N 3.48Å |
| 55 | T | 75.6 | Confident | 72.6 | Confident | 29 Ų | 29 | 62.6 Ų | 62.6 | 18% | 0.178 | 32% | 0.323 | C | S | . | . | trans | -96 | 109.6 | -176.2 | -51.1 | 0 | 0 | 0 | 0 | 110.9 | L46 I57 | L46-T55 HydrophobicContact CD2-CG2 3.98Å; T55-I57 HydrophobicContact CG2-CG2 4.26Å | ||
| 56 | I | 85.3 | Confident | 72 | Confident | 34 Ų | 34 | 57.3 Ų | 57.3 | 17% | 0.174 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 130.4 | 172.5 | -58.3 | 172.4 | 0 | 0 | 0 | 108.6 | L13 A82 G83 I84 L105 | L13-I56 HydrophobicContact CD1-CG2 4.4Å; L13-I56 HydrophobicContact CD2-CB 4.23Å; L13-I56 HydrophobicContact CD2-CG2 3.84Å; I56-A82 HydrophobicContact CG2-CB 4.04Å; I56-G83 WeakPolarHBondContact CA-O 3.29Å; I56-I84 HydrophobicContact CG1-CG1 4.13Å; I56-L105 HydrophobicContact CD1-CD1 4.35Å; I56-L105 HydrophobicContact CG1-CD1 4.36Å |
| 57 | I | 89.9 | Confident | 71.4 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 147.7 | 175.1 | 62.7 | 175.8 | 0 | 0 | 0 | 109.4 | P14 L41 L46 T55 A82 G83 I102 | P14-I57 HydrophobicContact CG-CB 4.47Å; P14-I57 HydrophobicContact CG-CG2 4Å; L41-I57 HydrophobicContact CD2-CG2 4.46Å; L46-I57 HydrophobicContact CD2-CG2 4.23Å; T55-I57 HydrophobicContact CG2-CG2 4.26Å; I57-A82 CarbonylContact O-C 3.47Å; I57-A82 WeakPolarHBondContact O-CA 3.27Å; I57-G83 PolarHBondContact N-O 3.17Å; I57-G83 PolarHBondContact O-N 3.3Å; I57-I102 HydrophobicContact CD1-CD1 3.61Å; I57-I102 HydrophobicContact CD1-CG1 4.22Å |
| 58 | G | 89.9 | Confident | 70.8 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 127.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | P14 L15 L16 | P14-G58 PolarHBondContact O-N 3.33Å; L15-G58 CarbonylContact C-O 3.57Å; L15-G58 VanDerWaalsContact CA-O 3.3Å; L15-G58 WeakPolarHBondContact CA-O 3.29Å; L16-G58 PolarHBondContact N-O 3.3Å |
| 59 | V | 91 | Very high | 70.5 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.012 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 121.9 | 173.9 | -177.5 | 0 | 0 | 0 | 0 | 109 | L16 T18 L23 F31 G80 T81 I102 | L16-V59 HydrophobicContact CB-CG2 4.47Å; L16-V59 HydrophobicContact CD2-CG2 4.3Å; T18-V59 HydrophobicContact CG2-CG1 4.02Å; L23-V59 HydrophobicContact CB-CB 4.36Å; L23-V59 HydrophobicContact CB-CG1 4.25Å; L23-V59 HydrophobicContact CD2-CB 4.01Å; L23-V59 HydrophobicContact CD2-CG2 3.69Å; F31-V59 HydrophobicContact CE1-CG1 4.34Å; F31-V59 HydrophobicContact CE2-CG1 4.19Å; F31-V59 HydrophobicContact CZ-CG1 3.94Å; V59-G80 WeakPolarHBondContact O-CA 3.45Å; V59-T81 PolarHBondContact N-O 2.98Å; V59-T81 PolarHBondContact O-N 3.21Å; V59-I102 HydrophobicContact CG2-CD1 3.79Å; V59-I102 HydrophobicContact CG2-CG2 4.25Å |
| 60 | I | 89.5 | Confident | 70.8 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 121.8 | 174.8 | -56.7 | -62.9 | 0 | 0 | 0 | 109.3 | L15 L16 L17 T18 T63 V76 H77 F108 V110 | L15-I60 HydrophobicContact CB-CG1 4.34Å; L15-I60 HydrophobicContact CD1-CD1 4.29Å; L15-I60 HydrophobicContact CD1-CG1 3.95Å; L15-I60 HydrophobicContact CD2-CD1 4.33Å; L15-I60 HydrophobicContact CD2-CG1 4.25Å; L15-I60 HydrophobicContact CG-CG1 4.42Å; L16-I60 PolarHBondContact O-N 3.22Å; L17-I60 HydrophobicContact CD2-CB 3.92Å; L17-I60 HydrophobicContact CD2-CG1 4.1Å; L17-I60 HydrophobicContact CD2-CG2 4.42Å; T18-I60 PolarHBondContact N-O 3.22Å; T18-I60 PolarHBondContact OG1-O 2.98Å; I60-T63 WeakPolarHBondContact CG2-OG1 3.41Å; I60-V76 HydrophobicContact CB-CG1 4.36Å; I60-V76 HydrophobicContact CD1-CG1 4.41Å; I60-V76 HydrophobicContact CG1-CG1 4.03Å; I60-V76 HydrophobicContact CG2-CG1 3.71Å; I60-H77 HydrophobicContact CG2-CB 3.77Å; I60-F108 HydrophobicContact CD1-CE2 3.84Å; I60-F108 HydrophobicContact CD1-CZ 3.72Å; I60-V110 HydrophobicContact CD1-CG2 3.75Å |
| 61 | P | 85.6 | Confident | 71.8 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.013 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -81.4 | 165.1 | 176.2 | 34.8 | -36.1 | 0 | 0 | 0 | 112.5 | T18 V22 T63 H77 L204 L207 | T18-P61 CarbonylContact O-C 3.57Å; V22-P61 HydrophobicContact CG1-CB 4.4Å; V22-P61 HydrophobicContact CG2-CB 4.13Å; P61-T63 PolarHBondContact O-N 3.34Å; P61-T63 PolarHBondContact O-OG1 3.23Å; P61-T63 VanDerWaalsContact O-OG1 3.13Å; P61-H77 WeakPolarHBondContact O-CB 3.5Å; P61-L204 HydrophobicContact CB-CD1 4.04Å; P61-L204 HydrophobicContact CG-CD1 3.5Å; P61-L207 HydrophobicContact CG-CD2 3.66Å |
| 62 | N | 77.1 | Confident | 72.5 | Confident | 117 Ų | 117 | 60.1 Ų | 60.1 | 63% | 0.626 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 53.2 | 26.3 | 170.5 | -161.9 | 44.2 | 0 | 0 | 0 | 114.8 | T18 L204 | T18-N62 PolarHBondContact O-N 2.92Å; N62-L204 HydrophobicContact CB-CD2 4.37Å |
| 63 | T | 74.8 | Confident | 73.1 | Confident | 4 Ų | 4 | 58.2 Ų | 58.2 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | trans | -125.1 | 103.8 | 178.9 | -52.3 | 0 | 0 | 0 | 0 | 107.2 | L17 T18 I60 P61 D65 P74 V76 H77 | L17-T63 HydrophobicContact CD1-CG2 4.29Å; L17-T63 HydrophobicContact CD2-CG2 4.15Å; T18-T63 CarbonylContact C-O 3.55Å; T18-T63 PolarHBondContact N-O 3.24Å; T18-T63 PolarHBondContact O-N 2.86Å; I60-T63 WeakPolarHBondContact CG2-OG1 3.41Å; P61-T63 PolarHBondContact O-N 3.34Å; P61-T63 PolarHBondContact O-OG1 3.23Å; P61-T63 VanDerWaalsContact O-OG1 3.13Å; T63-D65 PolarHBondContact O-N 3.12Å; T63-P74 HydrophobicContact CG2-CG 4.11Å; T63-V76 HydrophobicContact CG2-CG2 4.38Å; T63-H77 PolarHBondContact OG1-N 3.44Å | ||
| 64 | R | 70.3 | Confident | 74.2 | Confident | 146 Ų | 146 | 52.1 Ų | 52.1 | 55% | 0.551 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -78.5 | 121.5 | 178 | -174.2 | 174.2 | 178.3 | 178.8 | -1.2 | 109.3 | H19 E67 P74 | H19-R64 HydrophobicContact CB-CB 3.85Å; H19-R64 HydrophobicContact CB-CG 4.16Å; R64-E67 IonicContact CZ-OE1 3.36Å; R64-E67 IonicContact NH2-OE1 3.48Å; R64-E67 PolarHBondContact NH2-OE1 3.08Å; R64-P74 VanDerWaalsContact O-CG 3.29Å; R64-P74 WeakPolarHBondContact O-CG 3.27Å |
| 65 | D | 70.9 | Confident | 75 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 6% | 0.064 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 133.2 | 169.4 | -161.5 | 27.9 | 0 | 0 | 0 | 108.9 | L17 S35 R37 T63 | L17-D65 HydrophobicContact CB-CB 4.26Å; L17-D65 HydrophobicContact CD1-CB 4.43Å; S35-D65 WeakPolarHBondContact CB-OD2 3.27Å; S35-D65 PolarHBondContact OG-OD2 2.91Å; R37-D65 IonicContact NH1-OD1 3.97Å; T63-D65 PolarHBondContact O-N 3.12Å |
| 66 | P | 68.4 | Low | 75.3 | Confident | 22 Ų | 22 | 54.3 Ų | 54.3 | 14% | 0.143 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 148.7 | 176.8 | -23 | 33.5 | 0 | 0 | 0 | 112.4 | Q68 D71 | P66-Q68 VanDerWaalsContact C-N 3.27Å; P66-Q68 PolarHBondContact O-N 2.73Å; P66-D71 HydrophobicContact CB-CB 3.62Å; P66-D71 HydrophobicContact CG-CB 3.96Å |
| 67 | E | 63.9 | Low | 75.2 | Confident | 149 Ų | 149 | 54.4 Ų | 54.4 | 70% | 0.696 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -71.4 | -25.3 | 179.8 | -68.5 | -177.7 | -172.3 | 0 | 0 | 112.4 | R64 | R64-E67 IonicContact CZ-OE1 3.36Å; R64-E67 IonicContact NH2-OE1 3.48Å; R64-E67 PolarHBondContact NH2-OE1 3.08Å |
| 68 | Q | 62.4 | Low | 75 | Confident | 123 Ų | 123 | 61 Ų | 61 | 58% | 0.575 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -103.9 | 131 | 175 | -60.8 | -175 | 9.9 | 0 | 0 | 110.5 | P66 S70 D71 | P66-Q68 VanDerWaalsContact C-N 3.27Å; P66-Q68 PolarHBondContact O-N 2.73Å; Q68-S70 PolarHBondContact O-N 3.26Å; Q68-S70 VanDerWaalsContact O-N 3.11Å; Q68-D71 PolarHBondContact O-N 2.85Å |
| 69 | D | 61.9 | Low | 74.9 | Confident | 50 Ų | 50 | 61.9 Ų | 61.9 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -16.5 | -179.4 | -162 | 14.8 | 0 | 0 | 0 | 112.8 | P36 R37 R117 | P36-D69 HydrophobicContact CG-CB 4.14Å; R37-D69 WeakPolarHBondContact CG-OD1 3.33Å; R37-D69 IonicContact CZ-OD1 2.91Å; R37-D69 IonicContact NE-OD1 3.94Å; R37-D69 PolarHBondContact NE-OD1 3.11Å; R37-D69 PolarHBondContact NH2-O 3.15Å; R37-D69 IonicContact NH2-OD1 3.61Å; D69-R117 PolarHBondContact O-NE 3.2Å; D69-R117 PolarHBondContact O-NH2 3.5Å; D69-R117 IonicContact OD1-NE 2.7Å |
| 70 | S | 60.1 | Low | 74.9 | Confident | 74 Ų | 74 | 61.8 Ų | 61.8 | 52% | 0.517 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -22.9 | 176.8 | 46.2 | 0 | 0 | 0 | 0 | 114.6 | Q68 R117 | Q68-S70 PolarHBondContact O-N 3.26Å; Q68-S70 VanDerWaalsContact O-N 3.11Å; S70-R117 PolarHBondContact O-NH2 3.13Å |
| 71 | D | 69.3 | Low | 75 | Confident | 65 Ų | 65 | 61.9 Ų | 61.9 | 35% | 0.348 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -80.4 | 146.3 | -168.5 | -64.1 | -15.9 | 0 | 0 | 0 | 112.4 | R37 P66 Q68 | R37-D71 PolarHBondContact NH2-O 2.81Å; P66-D71 HydrophobicContact CB-CB 3.62Å; P66-D71 HydrophobicContact CG-CB 3.96Å; Q68-D71 PolarHBondContact O-N 2.85Å |
| 72 | P | 67.8 | Low | 75.2 | Confident | 109 Ų | 109 | 61.8 Ų | 61.8 | 71% | 0.708 | 33% | 0.328 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 146.2 | 175.9 | 27.8 | -33.5 | 0 | 0 | 0 | 111.2 | ||
| 73 | L | 71.1 | Confident | 75.8 | Confident | 27 Ų | 27 | 56.2 Ų | 56.2 | 14% | 0.141 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 136.1 | 177.7 | -76.4 | 168 | 0 | 0 | 0 | 111.2 | L17 R37 E116 V120 | L17-L73 HydrophobicContact CD1-CD2 3.51Å; R37-L73 VanDerWaalsContact NH1-CG 3.28Å; L73-E116 HydrophobicContact CD1-CB 3.99Å; L73-E116 HydrophobicContact CD1-CG 3.64Å; L73-V120 HydrophobicContact CD1-CG1 4.47Å; L73-V120 HydrophobicContact CD1-CG2 3.74Å; L73-V120 HydrophobicContact CD2-CG2 4.26Å |
| 74 | P | 74.4 | Confident | 76.4 | Confident | 46 Ų | 46 | 58.1 Ų | 58.1 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 161.9 | 167.6 | 28.2 | -32.1 | 0 | 0 | 0 | 110.8 | T63 R64 V76 | T63-P74 HydrophobicContact CG2-CG 4.11Å; R64-P74 VanDerWaalsContact O-CG 3.29Å; R64-P74 WeakPolarHBondContact O-CG 3.27Å; P74-V76 PolarHBondContact O-N 3.46Å |
| 75 | P | 76.1 | Confident | 77.1 | Confident | 130 Ų | 130 | 51.1 Ų | 51.1 | 84% | 0.844 | 28% | 0.282 | S | S | * | . | trans | -55.8 | 115.7 | 177.1 | 22.3 | -32.6 | 0 | 0 | 0 | 110.4 | ||||
| 76 | V | 80.9 | Confident | 77.7 | Confident | 28 Ų | 28 | 54.3 Ų | 54.3 | 17% | 0.17 | 30% | 0.302 | C | S | . | . | trans | -72 | 136.2 | -177 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | L17 I60 T63 P74 Q78 L113 | L17-V76 HydrophobicContact CD2-CG1 4.3Å; I60-V76 HydrophobicContact CB-CG1 4.36Å; I60-V76 HydrophobicContact CD1-CG1 4.41Å; I60-V76 HydrophobicContact CG1-CG1 4.03Å; I60-V76 HydrophobicContact CG2-CG1 3.71Å; T63-V76 HydrophobicContact CG2-CG2 4.38Å; P74-V76 PolarHBondContact O-N 3.46Å; V76-Q78 PolarHBondContact O-N 3.45Å; V76-L113 HydrophobicContact CG2-CD1 4.13Å | ||
| 77 | H | 84.3 | Confident | 78.4 | Confident | 37 Ų | 37 | 57.7 Ų | 57.7 | 17% | 0.171 | 32% | 0.315 | C | S | . | . | trans | -60.5 | 131.5 | 174.4 | -171.3 | -92 | 0 | 0 | 0 | 111.1 | I60 P61 T63 I79 D208 | I60-H77 HydrophobicContact CG2-CB 3.77Å; P61-H77 WeakPolarHBondContact O-CB 3.5Å; T63-H77 PolarHBondContact OG1-N 3.44Å; H77-I79 PolarHBondContact CE1-O 3.03Å; H77-I79 PolarHBondContact ND1-N 3.11Å; H77-I79 PolarHBondContact ND1-O 3.02Å; H77-I79 PolarHBondContact O-N 2.97Å; H77-D208 IonicContact CE1-OD1 3.23Å; H77-D208 PolarHBondContact CE1-OD1 3.32Å; H77-D208 IonicContact NE2-OD1 3.54Å; H77-D208 PolarHBondContact NE2-OD1 2.9Å; H77-D208 IonicContact NE2-OD2 3.78Å | ||
| 78 | Q | 84.5 | Confident | 79.5 | Confident | 139 Ų | 139 | 52 Ų | 52 | 65% | 0.65 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -69.5 | -28.5 | -168.2 | -72 | -176.1 | -3.9 | 0 | 0 | 114.1 | V76 R109 V110 | V76-Q78 PolarHBondContact O-N 3.45Å; Q78-R109 CarbonylContact O-C 3.58Å; Q78-R109 WeakPolarHBondContact O-CA 3.33Å; Q78-V110 PolarHBondContact O-N 3.41Å |
| 79 | I | 89.1 | Confident | 80.6 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 9% | 0.092 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 131.3 | -179.2 | -60.6 | 175.8 | 0 | 0 | 0 | 109.6 | H77 F108 L127 L207 V210 | H77-I79 PolarHBondContact CE1-O 3.03Å; H77-I79 PolarHBondContact ND1-N 3.11Å; H77-I79 PolarHBondContact ND1-O 3.02Å; H77-I79 PolarHBondContact O-N 2.97Å; I79-F108 WeakPolarHBondContact CA-O 3.42Å; I79-L127 HydrophobicContact CD1-CD1 4.24Å; I79-L127 HydrophobicContact CG1-CD1 4.13Å; I79-L127 HydrophobicContact CG2-CD1 4.21Å; I79-L207 HydrophobicContact CG2-CG 4.14Å; I79-V210 HydrophobicContact CD1-CG2 4.17Å |
| 80 | G | 90.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 177.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | V59 R107 F108 | V59-G80 WeakPolarHBondContact O-CA 3.45Å; G80-R107 WeakPolarHBondContact O-CA 2.9Å; G80-F108 PolarHBondContact N-O 3.36Å; G80-F108 PolarHBondContact O-N 2.84Å |
| 81 | T | 91.4 | Very high | 82.5 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.8 | 177.1 | -61.3 | 0 | 0 | 0 | 0 | 110 | L23 P25 V59 C106 F108 L207 | L23-T81 HydrophobicContact CB-CG2 4.47Å; L23-T81 HydrophobicContact CD2-CG2 3.93Å; L23-T81 HydrophobicContact CG-CG2 3.88Å; L23-T81 VanDerWaalsContact O-CB 3.25Å; L23-T81 WeakPolarHBondContact O-CB 3.39Å; L23-T81 PolarHBondContact O-OG1 3.48Å; P25-T81 HydrophobicContact CG-CG2 4.22Å; V59-T81 PolarHBondContact N-O 2.98Å; V59-T81 PolarHBondContact O-N 3.21Å; T81-C106 WeakPolarHBondContact CA-O 3.28Å; T81-F108 VanDerWaalsContact C-CE1 3.41Å; T81-L207 WeakPolarHBondContact OG1-CD1 3.35Å |
| 82 | A | 90.1 | Very high | 82.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 133.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | I9 L13 I56 I57 L105 C106 F108 | I9-A82 HydrophobicContact CD1-CB 4.41Å; I9-A82 HydrophobicContact CG2-CB 3.86Å; L13-A82 HydrophobicContact CD1-CB 4.03Å; I56-A82 HydrophobicContact CG2-CB 4.04Å; I57-A82 CarbonylContact O-C 3.47Å; I57-A82 WeakPolarHBondContact O-CA 3.27Å; A82-L105 WeakPolarHBondContact O-CB 3.26Å; A82-L105 PolarHBondContact O-N 3.38Å; A82-C106 PolarHBondContact N-O 3.22Å; A82-C106 PolarHBondContact O-N 2.96Å; A82-F108 HydrophobicContact CB-CD1 3.93Å; A82-F108 HydrophobicContact CB-CE1 4.34Å |
| 83 | G | 89.5 | Confident | 82 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 159.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I56 I57 T103 | I56-G83 WeakPolarHBondContact CA-O 3.29Å; I57-G83 PolarHBondContact N-O 3.17Å; I57-G83 PolarHBondContact O-N 3.3Å; G83-T103 CarbonylContact C-O 3.6Å; G83-T103 WeakPolarHBondContact CA-O 3.37Å |
| 84 | I | 87.4 | Confident | 81.5 | Confident | 44 Ų | 44 | 61 Ų | 61 | 23% | 0.226 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 131.1 | 172.9 | -66.6 | 169.5 | 0 | 0 | 0 | 108.3 | I56 V86 I102 T103 L105 | I56-I84 HydrophobicContact CG1-CG1 4.13Å; I84-V86 PolarHBondContact O-N 3.25Å; I84-I102 WeakPolarHBondContact O-CA 3.33Å; I84-T103 PolarHBondContact N-O 3.35Å; I84-T103 PolarHBondContact O-N 3.42Å; I84-L105 HydrophobicContact CD1-CD1 3.78Å; I84-L105 HydrophobicContact CD1-CD2 4.16Å; I84-L105 HydrophobicContact CD1-CG 4.41Å; I84-L105 HydrophobicContact CG1-CD1 3.76Å; I84-L105 HydrophobicContact CG1-CG 4.33Å |
| 85 | A | 85.4 | Confident | 81.5 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 112.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | L46 L52 | L46-A85 HydrophobicContact CD1-CB 4.01Å; L46-A85 HydrophobicContact CD2-CB 3.92Å; L52-A85 VanDerWaalsContact O-O 3.12Å |
| 86 | V | 83.1 | Confident | 81.6 | Confident | 79 Ų | 79 | 64 Ų | 64 | 48% | 0.479 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -36.6 | -179.9 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | I84 L101 T103 | I84-V86 PolarHBondContact O-N 3.25Å; V86-L101 HydrophobicContact CB-CD2 4.31Å; V86-L101 HydrophobicContact CB-CG 4.5Å; V86-L101 HydrophobicContact CG1-CD2 4.36Å; V86-L101 PolarHBondContact N-O 3.34Å; V86-T103 VanDerWaalsContact CG2-OG1 3.29Å; V86-T103 WeakPolarHBondContact CG2-OG1 3.34Å |
| 87 | Q | 83 | Confident | 81.8 | Confident | 92 Ų | 92 | 65.2 Ų | 65.2 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 139.5 | -177.6 | -169.1 | 179.8 | 3 | 0 | 0 | 110.4 | V89 L101 | Q87-V89 HydrophobicContact CG-CG2 4.13Å; Q87-L101 HydrophobicContact CB-CB 3.88Å; Q87-L101 HydrophobicContact CB-CD2 4.27Å; Q87-L101 PolarHBondContact N-O 3.47Å; Q87-L101 PolarHBondContact O-N 2.81Å |
| 88 | V | 86.4 | Confident | 81.9 | Confident | 30 Ų | 30 | 66.1 Ų | 66.1 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 124 | 173.4 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | V42 L46 L47 L52 Y98 L100 | V42-V88 HydrophobicContact CG1-CG1 3.72Å; L46-V88 HydrophobicContact CB-CG2 4.37Å; L46-V88 HydrophobicContact CD1-CG2 4.17Å; L47-V88 HydrophobicContact CD2-CG1 4.27Å; L52-V88 HydrophobicContact CD2-CG2 3.84Å; V88-Y98 HydrophobicContact CG1-CD1 3.87Å; V88-Y98 HydrophobicContact CG1-CG 4.49Å; V88-L100 HydrophobicContact CB-CD2 4Å; V88-L100 HydrophobicContact CG1-CD2 3.71Å; V88-L100 HydrophobicContact CG2-CD2 3.52Å |
| 89 | V | 85.7 | Confident | 82.1 | Confident | 71 Ų | 71 | 61.7 Ų | 61.7 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.8 | 176.3 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | Q87 Y98 T99 | Q87-V89 HydrophobicContact CG-CG2 4.13Å; V89-Y98 CarbonylContact O-C 3.59Å; V89-Y98 VanDerWaalsContact O-CA 3.3Å; V89-Y98 WeakPolarHBondContact O-CA 3.46Å; V89-T99 PolarHBondContact N-O 3.44Å; V89-T99 PolarHBondContact O-N 3.48Å |
| 90 | G | 83.4 | Confident | 82.1 | Confident | 46 Ų | 46 | 60.9 Ų | 60.9 | 47% | 0.474 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 138.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 91 | S | 79.8 | Confident | 82 | Confident | 46 Ų | 46 | 62.5 Ų | 62.5 | 32% | 0.322 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 138.2 | 170 | -179.6 | 0 | 0 | 0 | 0 | 110 | W93 P96 H97 | S91-W93 PolarHBondContact OG-O 2.98Å; S91-P96 WeakPolarHBondContact O-CA 3.43Å; S91-H97 PolarHBondContact N-O 3.14Å; S91-H97 PolarHBondContact O-N 3.25Å |
| 92 | N | 72.8 | Confident | 81.9 | Confident | 134 Ų | 134 | 62.5 Ų | 62.5 | 72% | 0.717 | 33% | 0.333 | S | S | * | . | trans | -104.3 | 6.3 | -174.7 | -66.7 | -5.9 | 0 | 0 | 0 | 113.3 | ||||
| 93 | W | 53.9 | Low | 81.8 | Confident | 223 Ų | 223 | 64.3 Ų | 64.3 | 85% | 0.845 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -136 | 133.3 | -175 | -159.7 | -70.4 | 0 | 0 | 0 | 110.4 | S91 | S91-W93 PolarHBondContact OG-O 2.98Š|
| 94 | P | 59.6 | Low | 81.7 | Confident | 117 Ų | 117 | 64.4 Ų | 64.4 | 76% | 0.76 | 35% | 0.346 | S | S | * | . | S | Bend | cis | -79 | -12.6 | -3.9 | 30.2 | -33.5 | 0 | 0 | 0 | 115.1 | ||
| 95 | K | 73.8 | Confident | 81.6 | Confident | 164 Ų | 164 | 64.2 Ų | 64.2 | 71% | 0.713 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -137.7 | 152.2 | 169.3 | -73.1 | -176.6 | -178.5 | 178.7 | 0 | 108.9 | H97 | K95-H97 PolarHBondContact O-N 3.32Å; K95-H97 PolarHBondContact O-ND1 2.8Å; K95-H97 VanDerWaalsContact O-ND1 3.09Å |
| 96 | P | 78.2 | Confident | 81.6 | Confident | 76 Ų | 76 | 64.4 Ų | 64.4 | 49% | 0.494 | 35% | 0.346 | S | S | . | . | trans | -59.7 | 122.5 | 175.1 | 25.9 | -33.6 | 0 | 0 | 0 | 109.8 | M39 S91 | M39-P96 HydrophobicContact SD-CB 4.34Å; M39-P96 HydrophobicContact SD-CG 4.45Å; S91-P96 WeakPolarHBondContact O-CA 3.43Å | ||
| 97 | H | 85.1 | Confident | 81.9 | Confident | 52 Ų | 52 | 60.7 Ų | 60.7 | 24% | 0.241 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 152.2 | 172.6 | 66.3 | -76.7 | 0 | 0 | 0 | 110.2 | V33 D34 S91 K95 | V33-H97 CarbonylContact O-C 3.51Å; V33-H97 VanDerWaalsContact O-CA 3.28Å; V33-H97 WeakPolarHBondContact O-CA 3.38Å; V33-H97 WeakPolarHBondContact O-CB 3.5Å; D34-H97 HydrophobicContact CB-CB 4.43Å; S91-H97 PolarHBondContact N-O 3.14Å; S91-H97 PolarHBondContact O-N 3.25Å; K95-H97 PolarHBondContact O-N 3.32Å; K95-H97 PolarHBondContact O-ND1 2.8Å; K95-H97 VanDerWaalsContact O-ND1 3.09Å |
| 98 | Y | 87.9 | Confident | 82.3 | Confident | 57 Ų | 57 | 56.3 Ų | 56.3 | 22% | 0.224 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 144.1 | 172.7 | -66.1 | -78.9 | 0 | 0 | 0 | 110.1 | V33 M39 V42 L47 V88 V89 | V33-Y98 WeakPolarHBondContact CA-O 3.5Å; V33-Y98 WeakPolarHBondContact CB-O 3.41Å; V33-Y98 PolarHBondContact N-O 2.93Å; V33-Y98 PolarHBondContact O-N 3.41Å; M39-Y98 HydrophobicContact CG-CD2 4.23Å; V42-Y98 HydrophobicContact CB-CD2 4.05Å; V42-Y98 HydrophobicContact CB-CE2 4.39Å; V42-Y98 HydrophobicContact CB-CG 4.36Å; V42-Y98 HydrophobicContact CG1-CD1 3.97Å; V42-Y98 HydrophobicContact CG1-CD2 3.88Å; V42-Y98 HydrophobicContact CG1-CE1 4.26Å; V42-Y98 HydrophobicContact CG1-CE2 4.17Å; V42-Y98 HydrophobicContact CG1-CG 3.78Å; V42-Y98 HydrophobicContact CG2-CD2 4.44Å; L47-Y98 HydrophobicContact CD1-CE1 3.85Å; V88-Y98 HydrophobicContact CG1-CD1 3.87Å; V88-Y98 HydrophobicContact CG1-CG 4.49Å; V89-Y98 CarbonylContact O-C 3.59Å; V89-Y98 VanDerWaalsContact O-CA 3.3Å; V89-Y98 WeakPolarHBondContact O-CA 3.46Å |
| 99 | T | 88.2 | Confident | 82.5 | Confident | 46 Ų | 46 | 59.6 Ų | 59.6 | 28% | 0.282 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 118.3 | 164.6 | -56.1 | 0 | 0 | 0 | 0 | 108.3 | R30 F31 V89 | R30-T99 HydrophobicContact CB-CG2 4.36Å; F31-T99 WeakPolarHBondContact O-CA 3.45Å; V89-T99 PolarHBondContact N-O 3.44Å; V89-T99 PolarHBondContact O-N 3.48Å |
| 100 | L | 88 | Confident | 82.7 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 126.6 | 178.6 | -60.3 | 179.8 | 0 | 0 | 0 | 110.4 | L16 R30 F31 V33 V42 L46 V88 I102 | L16-L100 HydrophobicContact CD1-CD1 4.21Å; L16-L100 HydrophobicContact CD2-CD1 4.06Å; R30-L100 CarbonylContact C-O 3.5Å; R30-L100 VanDerWaalsContact CA-O 3.26Å; R30-L100 WeakPolarHBondContact CA-O 3.26Å; F31-L100 PolarHBondContact N-O 3.25Å; F31-L100 PolarHBondContact O-N 3.12Å; V33-L100 HydrophobicContact CG2-CD1 3.62Å; V33-L100 HydrophobicContact CG2-CG 3.85Å; V42-L100 HydrophobicContact CG1-CD2 4.3Å; V42-L100 HydrophobicContact CG2-CD1 3.82Å; V42-L100 HydrophobicContact CG2-CD2 3.94Å; V42-L100 HydrophobicContact CG2-CG 4.23Å; L46-L100 HydrophobicContact CD1-CD1 4.2Å; L46-L100 HydrophobicContact CD1-CD2 3.78Å; V88-L100 HydrophobicContact CB-CD2 4Å; V88-L100 HydrophobicContact CG1-CD2 3.71Å; V88-L100 HydrophobicContact CG2-CD2 3.52Å; L100-I102 HydrophobicContact CB-CD1 4.12Å; L100-I102 HydrophobicContact CB-CG1 3.97Å; L100-I102 HydrophobicContact CD1-CD1 4.24Å |
| 101 | L | 88.9 | Confident | 82.9 | Confident | 35 Ų | 35 | 58.4 Ų | 58.4 | 18% | 0.183 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 111.1 | 165.3 | -173.7 | 71 | 0 | 0 | 0 | 108.4 | T28 R30 V86 Q87 | T28-L101 HydrophobicContact CG2-CD1 3.59Å; T28-L101 HydrophobicContact CG2-CD2 4.28Å; T28-L101 HydrophobicContact CG2-CG 3.69Å; R30-L101 HydrophobicContact CG-CD1 3.43Å; R30-L101 VanDerWaalsContact CG-CD1 3.43Å; V86-L101 HydrophobicContact CB-CD2 4.31Å; V86-L101 HydrophobicContact CB-CG 4.5Å; V86-L101 HydrophobicContact CG1-CD2 4.36Å; V86-L101 PolarHBondContact N-O 3.34Å; Q87-L101 HydrophobicContact CB-CB 3.88Å; Q87-L101 HydrophobicContact CB-CD2 4.27Å; Q87-L101 PolarHBondContact N-O 3.47Å; Q87-L101 PolarHBondContact O-N 2.81Å |
| 102 | I | 88.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 130.9 | -175 | -54.4 | 173.6 | 0 | 0 | 0 | 109.6 | L16 L23 T28 V29 F31 I57 V59 I84 L100 | L16-I102 HydrophobicContact CD2-CD1 3.6Å; L23-I102 HydrophobicContact CD2-CB 4.35Å; L23-I102 HydrophobicContact CD2-CG2 3.65Å; T28-I102 WeakPolarHBondContact CA-O 3.39Å; V29-I102 PolarHBondContact N-O 3.38Å; V29-I102 PolarHBondContact O-N 3.05Å; F31-I102 HydrophobicContact CD2-CB 4.41Å; F31-I102 HydrophobicContact CD2-CD1 3.77Å; F31-I102 HydrophobicContact CD2-CG1 4.27Å; F31-I102 HydrophobicContact CE2-CD1 4.37Å; I57-I102 HydrophobicContact CD1-CD1 3.61Å; I57-I102 HydrophobicContact CD1-CG1 4.22Å; V59-I102 HydrophobicContact CG2-CD1 3.79Å; V59-I102 HydrophobicContact CG2-CG2 4.25Å; I84-I102 WeakPolarHBondContact O-CA 3.33Å; L100-I102 HydrophobicContact CB-CD1 4.12Å; L100-I102 HydrophobicContact CB-CG1 3.97Å; L100-I102 HydrophobicContact CD1-CD1 4.24Å |
| 103 | T | 88.3 | Confident | 83.9 | Confident | 38 Ų | 38 | 55.3 Ų | 55.3 | 23% | 0.233 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 122.4 | 170.5 | -60.4 | 0 | 0 | 0 | 0 | 109.6 | S27 T28 G83 I84 V86 | S27-T103 WeakPolarHBondContact O-CA 3.44Å; T28-T103 WeakPolarHBondContact CG2-OG1 3.45Å; T28-T103 PolarHBondContact OG1-OG1 3.28Å; G83-T103 CarbonylContact C-O 3.6Å; G83-T103 WeakPolarHBondContact CA-O 3.37Å; I84-T103 PolarHBondContact N-O 3.35Å; I84-T103 PolarHBondContact O-N 3.42Å; V86-T103 VanDerWaalsContact CG2-OG1 3.29Å; V86-T103 WeakPolarHBondContact CG2-OG1 3.34Å |
| 104 | G | 87.7 | Confident | 85.4 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 3% | 0.031 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 134.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G26 S27 | G26-G104 PolarHBondContact N-O 2.62Å; S27-G104 PolarHBondContact O-N 2.83Å |
| 105 | L | 85.2 | Confident | 86.5 | Confident | 40 Ų | 40 | 48 Ų | 48 | 21% | 0.209 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -59.6 | 179.9 | -60.3 | -179.6 | 0 | 0 | 0 | 111.4 | I7 I56 A82 I84 | I7-L105 HydrophobicContact CD1-CB 4.47Å; I7-L105 HydrophobicContact CD1-CD2 4.27Å; I7-L105 HydrophobicContact CG2-CB 4.43Å; I7-L105 HydrophobicContact CG2-CD1 4.1Å; I56-L105 HydrophobicContact CD1-CD1 4.35Å; I56-L105 HydrophobicContact CG1-CD1 4.36Å; A82-L105 WeakPolarHBondContact O-CB 3.26Å; A82-L105 PolarHBondContact O-N 3.38Å; I84-L105 HydrophobicContact CD1-CD1 3.78Å; I84-L105 HydrophobicContact CD1-CD2 4.16Å; I84-L105 HydrophobicContact CD1-CG 4.41Å; I84-L105 HydrophobicContact CG1-CD1 3.76Å; I84-L105 HydrophobicContact CG1-CG 4.33Å |
| 106 | C | 86.7 | Confident | 86.8 | Confident | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.027 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 158.5 | -172.3 | 65.2 | 0 | 0 | 0 | 0 | 111.9 | I9 T81 A82 D128 | I9-C106 WeakPolarHBondContact CG2-SG 3.33Å; T81-C106 WeakPolarHBondContact CA-O 3.28Å; A82-C106 PolarHBondContact N-O 3.22Å; A82-C106 PolarHBondContact O-N 2.96Å; C106-D128 HydrophobicContact CB-CB 4.05Å |
| 107 | R | 89.3 | Confident | 86.8 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 144.8 | 172.6 | -66.9 | 170.1 | 177 | 80.2 | -5.5 | 111.9 | P25 G80 L127 D128 D190 V206 L207 R215 | P25-R107 HydrophobicContact CG-CG 3.93Å; G80-R107 WeakPolarHBondContact O-CA 2.9Å; R107-L127 HydrophobicContact CB-CB 4.17Å; R107-L127 PolarHBondContact O-N 3.17Å; R107-D128 WeakPolarHBondContact CB-OD2 3.43Å; R107-D128 VanDerWaalsContact CG-OD2 3.3Å; R107-D128 WeakPolarHBondContact CG-OD2 3.45Å; R107-D128 PolarHBondContact N-OD2 3.4Å; R107-D128 IonicContact NH1-OD1 3.49Å; R107-D128 IonicContact NH1-OD2 3.64Å; R107-D128 PolarHBondContact NH1-OD2 3.28Å; R107-D190 IonicContact CZ-OD1 2.98Å; R107-D190 IonicContact CZ-OD2 2.79Å; R107-D190 IonicContact NH1-OD1 2.77Å; R107-D190 IonicContact NH1-OD2 3.55Å; R107-D190 PolarHBondContact NH1-OD2 3.31Å; R107-D190 VanDerWaalsContact NH2-CG 3.25Å; R107-D190 IonicContact NH2-OD1 3.93Å; R107-D190 PolarHBondContact NH2-OD1 2.8Å; R107-D190 IonicContact NH2-OD2 2.85Å; R107-D190 PolarHBondContact NH2-OD2 2.8Å; R107-V206 PolarHBondContact NH2-O 3.31Å; R107-L207 WeakPolarHBondContact CD-O 3.48Å; R107-L207 HydrophobicContact CG-CD1 3.93Å; R107-L207 PolarHBondContact NE-O 3.07Å; R107-R215 VanDerWaalsContact CZ-CZ 3.48Å |
| 108 | F | 91.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 156.2 | 169 | 69.6 | -94.3 | 0 | 0 | 0 | 110.9 | I9 L13 L15 I60 I79 G80 T81 A82 V110 V124 E125 | I9-F108 HydrophobicContact CD1-CB 3.75Å; I9-F108 HydrophobicContact CD1-CG 4.5Å; L13-F108 HydrophobicContact CD1-CD1 4.31Å; L13-F108 HydrophobicContact CD1-CE1 4.38Å; L15-F108 HydrophobicContact CD2-CE2 3.99Å; L15-F108 HydrophobicContact CD2-CZ 3.74Å; I60-F108 HydrophobicContact CD1-CE2 3.84Å; I60-F108 HydrophobicContact CD1-CZ 3.72Å; I79-F108 WeakPolarHBondContact CA-O 3.42Å; G80-F108 PolarHBondContact N-O 3.36Å; G80-F108 PolarHBondContact O-N 2.84Å; T81-F108 VanDerWaalsContact C-CE1 3.41Å; A82-F108 HydrophobicContact CB-CD1 3.93Å; A82-F108 HydrophobicContact CB-CE1 4.34Å; F108-V110 HydrophobicContact CD2-CG2 4.37Å; F108-V110 HydrophobicContact CE2-CG2 3.77Å; F108-V124 HydrophobicContact CB-CB 4.22Å; F108-V124 HydrophobicContact CD2-CB 3.58Å; F108-V124 HydrophobicContact CD2-CG1 3.36Å; F108-V124 HydrophobicContact CD2-CG2 4.49Å; F108-V124 HydrophobicContact CE2-CB 4.24Å; F108-V124 HydrophobicContact CE2-CG1 3.49Å; F108-V124 VanDerWaalsContact CE2-CG1 3.49Å; F108-V124 HydrophobicContact CG-CB 4.08Å; F108-V124 HydrophobicContact CG-CG1 4.22Å; F108-V124 HydrophobicContact CZ-CG1 4.42Å; F108-E125 CarbonylContact C-O 3.57Å; F108-E125 WeakPolarHBondContact CA-O 3.16Å; F108-E125 WeakPolarHBondContact CB-O 3.32Å |
| 109 | R | 91.2 | Very high | 86.2 | Confident | 99 Ų | 99 | 43.2 Ų | 43.2 | 37% | 0.374 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 138.5 | 167.9 | -174.5 | 177.5 | -69.9 | 145.6 | -3.4 | 109.4 | Q78 V124 E125 L127 | Q78-R109 CarbonylContact O-C 3.58Å; Q78-R109 WeakPolarHBondContact O-CA 3.33Å; R109-V124 CarbonylContact O-C 3.53Å; R109-V124 VanDerWaalsContact O-CA 3.26Å; R109-V124 WeakPolarHBondContact O-CA 3.34Å; R109-E125 PolarHBondContact N-O 3.12Å; R109-E125 PolarHBondContact O-N 3.36Å; R109-L127 HydrophobicContact CB-CD1 4.02Å; R109-L127 HydrophobicContact CB-CD2 4.01Å; R109-L127 HydrophobicContact CB-CG 4.08Å |
| 110 | V | 89.9 | Confident | 86 | Confident | 24 Ų | 24 | 41.1 Ų | 41.1 | 15% | 0.145 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 117.3 | 169.8 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | L15 I60 Q78 F108 L113 A122 | L15-V110 HydrophobicContact CD1-CG2 4.28Å; I60-V110 HydrophobicContact CD1-CG2 3.75Å; Q78-V110 PolarHBondContact O-N 3.41Å; F108-V110 HydrophobicContact CD2-CG2 4.37Å; F108-V110 HydrophobicContact CE2-CG2 3.77Å; V110-L113 HydrophobicContact CG1-CD2 4.26Å; V110-A122 HydrophobicContact CG1-CB 4.06Å |
| 111 | S | 87.3 | Confident | 86.1 | Confident | 69 Ų | 69 | 43 Ų | 43 | 48% | 0.483 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -47.4 | 178.7 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | E123 | S111-E123 PolarHBondContact N-O 2.94Å |
| 112 | S | 86.1 | Confident | 86.1 | Confident | 44 Ų | 44 | 41.3 Ų | 41.3 | 31% | 0.308 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 148.6 | 178.2 | 73.1 | 0 | 0 | 0 | 0 | 111.3 | A122 E123 | S112-A122 CarbonylContact O-C 3.42Å; S112-A122 WeakPolarHBondContact O-CA 3.44Å; S112-A122 WeakPolarHBondContact O-CB 3.22Å; S112-E123 PolarHBondContact N-O 3.23Å; S112-E123 PolarHBondContact O-N 3.19Å; S112-E123 WeakPolarHBondContact OG-CB 3.39Å; S112-E123 PolarHBondContact OG-OE2 3.41Å |
| 113 | L | 86.1 | Confident | 86.2 | Confident | 70 Ų | 70 | 44.9 Ų | 44.9 | 37% | 0.366 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 117.6 | 171.1 | -65 | 176.2 | 0 | 0 | 0 | 108.7 | L15 V76 V110 V120 A122 | L15-L113 HydrophobicContact CD1-CD2 4.3Å; V76-L113 HydrophobicContact CG2-CD1 4.13Å; V110-L113 HydrophobicContact CG1-CD2 4.26Å; L113-V120 HydrophobicContact CD2-CG1 3.89Å; L113-A122 HydrophobicContact CD2-CB 3.96Å |
| 114 | L | 85.5 | Confident | 86.3 | Confident | 75 Ų | 75 | 43.4 Ų | 43.4 | 39% | 0.393 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -36.2 | -177.6 | -62.8 | 175.7 | 0 | 0 | 0 | 112.2 | R12 L121 E123 | R12-L114 HydrophobicContact CG-CD1 3.82Å; L114-L121 WeakPolarHBondContact CA-O 3.32Å; L114-L121 WeakPolarHBondContact CB-O 3.24Å; L114-L121 HydrophobicContact CD1-CD2 4.46Å; L114-L121 PolarHBondContact N-O 2.82Å; L114-E123 HydrophobicContact CD1-CB 4.23Å; L114-E123 HydrophobicContact CD2-CB 4.45Å; L114-E123 HydrophobicContact CG-CB 4.28Å |
| 115 | K | 83.8 | Confident | 86.3 | Confident | 111 Ų | 111 | 47.9 Ų | 47.9 | 48% | 0.483 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 139.4 | -176.4 | -154.1 | -173.6 | -165.2 | -157.6 | 0 | 110.6 | R117 P118 V120 L121 | K115-R117 WeakPolarHBondContact CD-O 3.31Å; K115-R117 WeakPolarHBondContact CE-O 3.32Å; K115-R117 VanDerWaalsContact CG-O 3.32Å; K115-R117 WeakPolarHBondContact CG-O 3.32Å; K115-R117 PolarHBondContact NZ-O 3.2Å; K115-R117 VanDerWaalsContact NZ-O 3.11Å; K115-P118 VanDerWaalsContact NZ-CD 3.33Å; K115-V120 CarbonylContact O-C 3.55Å; K115-V120 VanDerWaalsContact O-CA 3.3Å; K115-V120 WeakPolarHBondContact O-CA 3.21Å; K115-L121 HydrophobicContact CB-CB 3.96Å; K115-L121 PolarHBondContact N-O 2.88Å; K115-L121 VanDerWaalsContact N-O 3.07Å; K115-L121 PolarHBondContact O-N 3.32Å |
| 116 | E | 79.2 | Confident | 86.4 | Confident | 82 Ų | 82 | 48.1 Ų | 48.1 | 38% | 0.383 | 24% | 0.236 | S | C | . | . | trans | -102 | -30.7 | 176.4 | -58.4 | -170.9 | 168.1 | 0 | 0 | 113.3 | L73 F119 | L73-E116 HydrophobicContact CD1-CB 3.99Å; L73-E116 HydrophobicContact CD1-CG 3.64Å; E116-F119 CarbonylContact C-O 3.59Å; E116-F119 CarbonylContact O-C 3.49Å; E116-F119 VanDerWaalsContact O-C 3.24Å | ||
| 117 | R | 77.9 | Confident | 86.2 | Confident | 124 Ų | 124 | 49.3 Ų | 49.3 | 47% | 0.468 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -125.5 | 141.6 | -177.9 | -60.3 | -172.8 | -172.5 | 165.6 | 7 | 111.4 | D69 S70 K115 F119 | D69-R117 PolarHBondContact O-NE 3.2Å; D69-R117 PolarHBondContact O-NH2 3.5Å; D69-R117 IonicContact OD1-NE 2.7Å; S70-R117 PolarHBondContact O-NH2 3.13Å; K115-R117 WeakPolarHBondContact CD-O 3.31Å; K115-R117 WeakPolarHBondContact CE-O 3.32Å; K115-R117 VanDerWaalsContact CG-O 3.32Å; K115-R117 WeakPolarHBondContact CG-O 3.32Å; K115-R117 PolarHBondContact NZ-O 3.2Å; K115-R117 VanDerWaalsContact NZ-O 3.11Å; R117-F119 VanDerWaalsContact C-N 3.34Å |
| 118 | P | 76.4 | Confident | 85.2 | Confident | 29 Ų | 29 | 49.9 Ų | 49.9 | 19% | 0.188 | 25% | 0.245 | C | C | . | . | S | Bend | cis | -71.1 | -19.7 | 5.4 | 25.3 | -32.5 | 0 | 0 | 0 | 115.1 | Q40 K115 | Q40-P118 HydrophobicContact CB-CB 4.35Å; Q40-P118 VanDerWaalsContact OE1-CA 3.23Å; Q40-P118 PolarHBondContact OE1-O 2.92Å; Q40-P118 VanDerWaalsContact OE1-O 3.05Å; K115-P118 VanDerWaalsContact NZ-CD 3.33Å |
| 119 | F | 83.9 | Confident | 83.7 | Confident | 14 Ų | 14 | 55.8 Ų | 55.8 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -147.7 | 163.6 | 173.6 | 53.1 | -96.6 | 0 | 0 | 0 | 108.8 | P14 R37 L41 Q44 R45 E116 R117 L121 | P14-F119 HydrophobicContact CB-CD2 4.02Å; P14-F119 HydrophobicContact CB-CE2 3.82Å; R37-F119 WeakPolarHBondContact O-CB 3.49Å; L41-F119 HydrophobicContact CB-CB 3.76Å; L41-F119 HydrophobicContact CB-CD1 4.31Å; L41-F119 HydrophobicContact CB-CD2 4.47Å; L41-F119 HydrophobicContact CB-CG 3.93Å; L41-F119 HydrophobicContact CD1-CB 4.47Å; L41-F119 HydrophobicContact CD1-CD2 4.37Å; L41-F119 HydrophobicContact CG-CG 4.43Å; Q44-F119 HydrophobicContact CB-CE1 4.08Å; R45-F119 HydrophobicContact CG-CE1 4.19Å; R45-F119 HydrophobicContact CG-CE2 4.28Å; R45-F119 HydrophobicContact CG-CZ 3.74Å; E116-F119 CarbonylContact C-O 3.59Å; E116-F119 CarbonylContact O-C 3.49Å; E116-F119 VanDerWaalsContact O-C 3.24Å; R117-F119 VanDerWaalsContact C-N 3.34Å; F119-L121 PolarHBondContact O-N 3.43Å |
| 120 | V | 85.8 | Confident | 81.7 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | trans | -71.8 | 126.2 | -175.9 | -173.1 | 0 | 0 | 0 | 0 | 110.5 | P14 L15 L17 L73 L113 K115 | P14-V120 CarbonylContact C-O 3.46Å; P14-V120 WeakPolarHBondContact CA-O 3.48Å; L15-V120 HydrophobicContact CB-CB 4.16Å; L15-V120 HydrophobicContact CB-CG1 4.12Å; L15-V120 HydrophobicContact CD1-CG1 4.04Å; L15-V120 HydrophobicContact CG-CG1 4.37Å; L15-V120 PolarHBondContact N-O 3.4Å; L17-V120 HydrophobicContact CD1-CG2 4.07Å; L73-V120 HydrophobicContact CD1-CG1 4.47Å; L73-V120 HydrophobicContact CD1-CG2 3.74Å; L73-V120 HydrophobicContact CD2-CG2 4.26Å; L113-V120 HydrophobicContact CD2-CG1 3.89Å; K115-V120 CarbonylContact O-C 3.55Å; K115-V120 VanDerWaalsContact O-CA 3.3Å; K115-V120 WeakPolarHBondContact O-CA 3.21Å | ||
| 121 | L | 89.1 | Confident | 79.7 | Confident | 39 Ų | 39 | 59.3 Ų | 59.3 | 20% | 0.204 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 124.9 | 174.2 | -171.6 | 75.7 | 0 | 0 | 0 | 108 | P14 L114 K115 F119 | P14-L121 HydrophobicContact CB-CD1 4.45Å; L114-L121 WeakPolarHBondContact CA-O 3.32Å; L114-L121 WeakPolarHBondContact CB-O 3.24Å; L114-L121 HydrophobicContact CD1-CD2 4.46Å; L114-L121 PolarHBondContact N-O 2.82Å; K115-L121 HydrophobicContact CB-CB 3.96Å; K115-L121 PolarHBondContact N-O 2.88Å; K115-L121 VanDerWaalsContact N-O 3.07Å; K115-L121 PolarHBondContact O-N 3.32Å; F119-L121 PolarHBondContact O-N 3.43Å |
| 122 | A | 88.7 | Confident | 77.5 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 151.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R12 L13 L15 V110 S112 L113 V124 | R12-A122 WeakPolarHBondContact CA-O 3.45Å; L13-A122 PolarHBondContact N-O 3.03Å; L13-A122 PolarHBondContact O-N 3.04Å; L13-A122 VanDerWaalsContact O-N 3.07Å; L15-A122 HydrophobicContact CD1-CB 3.42Å; L15-A122 VanDerWaalsContact CD1-CB 3.42Å; L15-A122 HydrophobicContact CD2-CB 4.36Å; L15-A122 HydrophobicContact CG-CB 3.86Å; V110-A122 HydrophobicContact CG1-CB 4.06Å; S112-A122 CarbonylContact O-C 3.42Å; S112-A122 WeakPolarHBondContact O-CA 3.44Å; S112-A122 WeakPolarHBondContact O-CB 3.22Å; L113-A122 HydrophobicContact CD2-CB 3.96Å; A122-V124 HydrophobicContact CB-CG1 4.29Å |
| 123 | E | 90.3 | Very high | 75.6 | Confident | 75 Ų | 75 | 65.2 Ų | 65.2 | 35% | 0.35 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 129.4 | 163 | -168.8 | 162.6 | -140.5 | 0 | 0 | 109 | N11 S111 S112 L114 | N11-E123 CarbonylContact O-C 3.56Å; N11-E123 VanDerWaalsContact O-CA 3.29Å; N11-E123 WeakPolarHBondContact O-CA 3.32Å; S111-E123 PolarHBondContact N-O 2.94Å; S112-E123 PolarHBondContact N-O 3.23Å; S112-E123 PolarHBondContact O-N 3.19Å; S112-E123 WeakPolarHBondContact OG-CB 3.39Å; S112-E123 PolarHBondContact OG-OE2 3.41Å; L114-E123 HydrophobicContact CD1-CB 4.23Å; L114-E123 HydrophobicContact CD2-CB 4.45Å; L114-E123 HydrophobicContact CG-CB 4.28Å |
| 124 | V | 91.1 | Very high | 73.4 | Confident | 7 Ų | 7 | 66.2 Ų | 66.2 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 145.3 | -170.9 | -61.2 | 0 | 0 | 0 | 0 | 111.4 | I9 P10 N11 L13 F108 R109 A122 | I9-V124 HydrophobicContact CD1-CG2 4.24Å; P10-V124 WeakPolarHBondContact O-CG2 3.12Å; N11-V124 PolarHBondContact O-N 3.25Å; L13-V124 HydrophobicContact CB-CG1 4.31Å; L13-V124 HydrophobicContact CB-CG2 4.1Å; L13-V124 HydrophobicContact CD1-CG2 3.76Å; L13-V124 HydrophobicContact CG-CG2 3.69Å; F108-V124 HydrophobicContact CB-CB 4.22Å; F108-V124 HydrophobicContact CD2-CB 3.58Å; F108-V124 HydrophobicContact CD2-CG1 3.36Å; F108-V124 HydrophobicContact CD2-CG2 4.49Å; F108-V124 HydrophobicContact CE2-CB 4.24Å; F108-V124 HydrophobicContact CE2-CG1 3.49Å; F108-V124 VanDerWaalsContact CE2-CG1 3.49Å; F108-V124 HydrophobicContact CG-CB 4.08Å; F108-V124 HydrophobicContact CG-CG1 4.22Å; F108-V124 HydrophobicContact CZ-CG1 4.42Å; R109-V124 CarbonylContact O-C 3.53Å; R109-V124 VanDerWaalsContact O-CA 3.26Å; R109-V124 WeakPolarHBondContact O-CA 3.34Å; A122-V124 HydrophobicContact CB-CG1 4.29Å |
| 125 | E | 88.4 | Confident | 71.1 | Confident | 98 Ų | 98 | 67.9 Ų | 67.9 | 46% | 0.458 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 125.5 | 174.3 | -172.1 | -175.1 | -178.3 | 0 | 0 | 109.8 | F108 R109 L127 | F108-E125 CarbonylContact C-O 3.57Å; F108-E125 WeakPolarHBondContact CA-O 3.16Å; F108-E125 WeakPolarHBondContact CB-O 3.32Å; R109-E125 PolarHBondContact N-O 3.12Å; R109-E125 PolarHBondContact O-N 3.36Å; E125-L127 PolarHBondContact O-N 3.16Å |
| 126 | Q | 87.2 | Confident | 68.8 | Low | 44 Ų | 44 | 66.6 Ų | 66.6 | 21% | 0.206 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 124.4 | 177.4 | -173.4 | 171.8 | -17.1 | 0 | 0 | 111.1 | I7 I9 D128 | I7-Q126 PolarHBondContact O-NE2 3.43Å; I7-Q126 PolarHBondContact O-OE1 3.07Å; I9-Q126 HydrophobicContact CD1-CB 3.83Å; I9-Q126 HydrophobicContact CD1-CG 4.21Å; I9-Q126 HydrophobicContact CG1-CB 3.88Å; I9-Q126 HydrophobicContact CG1-CG 4.26Å; Q126-D128 PolarHBondContact NE2-O 3.49Å |
| 127 | L | 81.1 | Confident | 66.9 | Low | 29 Ų | 29 | 69 Ų | 69 | 15% | 0.152 | 35% | 0.351 | C | S | . | . | trans | -93.9 | -33 | -179.6 | -64.3 | 178.1 | 0 | 0 | 0 | 112.7 | I79 R107 R109 E125 K129 V210 | I79-L127 HydrophobicContact CD1-CD1 4.24Å; I79-L127 HydrophobicContact CG1-CD1 4.13Å; I79-L127 HydrophobicContact CG2-CD1 4.21Å; R107-L127 HydrophobicContact CB-CB 4.17Å; R107-L127 PolarHBondContact O-N 3.17Å; R109-L127 HydrophobicContact CB-CD1 4.02Å; R109-L127 HydrophobicContact CB-CD2 4.01Å; R109-L127 HydrophobicContact CB-CG 4.08Å; E125-L127 PolarHBondContact O-N 3.16Å; L127-K129 PolarHBondContact O-N 2.98Å; L127-V210 HydrophobicContact CB-CG1 4.24Å; L127-V210 HydrophobicContact CD1-CG2 3.94Å | ||
| 128 | D | 69.3 | Low | 65 | Low | 12 Ų | 12 | 67 Ų | 67 | 6% | 0.064 | 36% | 0.361 | C | S | . | . | trans | -84.8 | 96.5 | -179.7 | -71.8 | -25.5 | 0 | 0 | 0 | 110.5 | C106 R107 Q126 R215 | C106-D128 HydrophobicContact CB-CB 4.05Å; R107-D128 WeakPolarHBondContact CB-OD2 3.43Å; R107-D128 VanDerWaalsContact CG-OD2 3.3Å; R107-D128 WeakPolarHBondContact CG-OD2 3.45Å; R107-D128 PolarHBondContact N-OD2 3.4Å; R107-D128 IonicContact NH1-OD1 3.49Å; R107-D128 IonicContact NH1-OD2 3.64Å; R107-D128 PolarHBondContact NH1-OD2 3.28Å; Q126-D128 PolarHBondContact NE2-O 3.49Å; D128-R215 IonicContact OD1-CZ 3.95Å; D128-R215 IonicContact OD1-NH1 3.23Å; D128-R215 IonicContact OD1-NH2 2.84Å; D128-R215 PolarHBondContact OD1-NH2 3.46Å | ||
| 129 | K | 58.6 | Low | 63.1 | Low | 124 Ų | 124 | 75.2 Ų | 75.2 | 54% | 0.539 | 40% | 0.397 | S | S | . | . | trans | -101.7 | 78.6 | 166.7 | -65.4 | -179.6 | -175.6 | 175.2 | 0 | 109.2 | L127 E131 Q132 | L127-K129 PolarHBondContact O-N 2.98Å; K129-E131 PolarHBondContact O-N 3.5Å; K129-E131 VanDerWaalsContact O-N 3.12Å; K129-Q132 HydrophobicContact CB-CG 4.36Å; K129-Q132 PolarHBondContact O-N 3.47Å | ||
| 130 | L | 50.7 | Low | 60.6 | Low | 82 Ų | 82 | 77.8 Ų | 77.8 | 43% | 0.429 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -20.8 | -177 | -81.4 | 152.9 | 0 | 0 | 0 | 113.8 | Q132 Y133 E186 | L130-Q132 PolarHBondContact O-N 2.83Å; L130-Y133 PolarHBondContact O-N 3.34Å; L130-E186 HydrophobicContact CD2-CB 4.27Å |
| 131 | E | 47.2 | Very low | 58.6 | Low | 116 Ų | 116 | 82.7 Ų | 82.7 | 54% | 0.542 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.4 | -25.8 | 179.2 | -67.8 | 177.4 | 172.7 | 0 | 0 | 113.2 | G6 K129 Y133 T134 T135 | G6-E131 WeakPolarHBondContact CA-OE1 3.42Å; G6-E131 PolarHBondContact N-OE1 3.36Å; K129-E131 PolarHBondContact O-N 3.5Å; K129-E131 VanDerWaalsContact O-N 3.12Å; E131-Y133 PolarHBondContact O-N 3.43Å; E131-T134 PolarHBondContact O-N 3.21Å; E131-T134 PolarHBondContact O-OG1 3.39Å; E131-T135 PolarHBondContact O-N 3.3Å; E131-T135 PolarHBondContact O-OG1 2.9Å |
| 132 | Q | 42.3 | Very low | 56.1 | Low | 126 Ų | 126 | 85.8 Ų | 85.8 | 59% | 0.589 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -69.7 | -17.6 | -177.9 | -66.1 | -179.3 | -17.5 | 0 | 0 | 114.1 | K129 L130 | K129-Q132 HydrophobicContact CB-CG 4.36Å; K129-Q132 PolarHBondContact O-N 3.47Å; L130-Q132 PolarHBondContact O-N 2.83Å |
| 133 | Y | 45.1 | Very low | 53.9 | Low | 110 Ų | 110 | 90.7 Ų | 90.7 | 43% | 0.431 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -106.4 | -12.4 | -178.7 | -62.1 | -77.2 | 0 | 0 | 0 | 113.2 | L130 E131 | L130-Y133 PolarHBondContact O-N 3.34Å; E131-Y133 PolarHBondContact O-N 3.43Å |
| 134 | T | 40.5 | Very low | 51.7 | Low | 92 Ų | 92 | 93.9 Ų | 93.9 | 56% | 0.564 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -96.4 | -18.6 | -179.5 | 51 | 0 | 0 | 0 | 0 | 113.5 | E131 | E131-T134 PolarHBondContact O-N 3.21Å; E131-T134 PolarHBondContact O-OG1 3.39Å |
| 135 | T | 36.4 | Very low | 49.9 | Very low | 110 Ų | 110 | 98.9 Ų | 98.9 | 68% | 0.675 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -99.1 | -3 | -176.7 | 50.4 | 0 | 0 | 0 | 0 | 115.2 | E131 T137 | E131-T135 PolarHBondContact O-N 3.3Å; E131-T135 PolarHBondContact O-OG1 2.9Å; T135-T137 PolarHBondContact O-N 2.98Å |
| 136 | S | 35.8 | Very low | 48.6 | Very low | 83 Ų | 83 | 96.8 Ų | 96.8 | 58% | 0.58 | 58% | 0.575 | S | S | * | * | trans | -82.6 | 52.9 | 175.2 | 49.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 137 | T | 39.4 | Very low | 47.7 | Very low | 133 Ų | 133 | 99.8 Ų | 99.8 | 82% | 0.816 | 59% | 0.589 | S | S | * | * | trans | -107.9 | 72.7 | 154.1 | 45 | 0 | 0 | 0 | 0 | 108.7 | T135 | T135-T137 PolarHBondContact O-N 2.98Š| ||
| 138 | A | 38.4 | Very low | 47.3 | Very low | 81 Ų | 81 | 99.7 Ų | 99.7 | 67% | 0.669 | 59% | 0.589 | S | S | * | * | S | Bend | trans | 168 | 123.7 | 151.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||
| 139 | E | 34.9 | Very low | 47.5 | Very low | 203 Ų | 203 | 101 Ų | 101 | 95% | 0.949 | 61% | 0.605 | S | S | * | * | S | Bend | trans | 73.2 | 88.4 | 159.6 | -57.9 | 179.6 | -176.6 | 0 | 0 | 118.3 | ||
| 140 | G | 33 | Very low | 48.5 | Very low | 68 Ų | 68 | 99.5 Ų | 99.5 | 70% | 0.701 | 60% | 0.6 | S | S | * | * | trans | 140.8 | 78 | 158.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T142 | G140-T142 PolarHBondContact O-N 3.41Š| ||
| 141 | A | 43.4 | Very low | 49.9 | Very low | 104 Ų | 104 | 96.9 Ų | 96.9 | 86% | 0.86 | 59% | 0.586 | S | S | * | * | trans | -64.8 | 115 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 142 | T | 37.1 | Very low | 51.4 | Low | 105 Ų | 105 | 92 Ų | 92 | 64% | 0.644 | 56% | 0.564 | S | S | * | * | trans | -121.3 | 144.1 | 159.3 | 46.5 | 0 | 0 | 0 | 0 | 109.1 | G140 E144 | G140-T142 PolarHBondContact O-N 3.41Å; T142-E144 PolarHBondContact O-N 3.1Å | ||
| 143 | A | 41.7 | Very low | 53.2 | Low | 103 Ų | 103 | 91.8 Ų | 91.8 | 85% | 0.851 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 6.9 | -164.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 144 | E | 44.3 | Very low | 55 | Low | 142 Ų | 142 | 92.7 Ų | 92.7 | 66% | 0.664 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -23 | -179.8 | -62.8 | -173.7 | 163.1 | 0 | 0 | 113.1 | T142 G146 | T142-E144 PolarHBondContact O-N 3.1Å; E144-G146 VanDerWaalsContact C-N 3.31Å; E144-G146 PolarHBondContact O-N 3.19Å |
| 145 | D | 53.4 | Low | 57.1 | Low | 111 Ų | 111 | 88.4 Ų | 88.4 | 59% | 0.594 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70.8 | -20.9 | -178.9 | -80.9 | -30.8 | 0 | 0 | 0 | 114.6 | G149 | D145-G149 PolarHBondContact O-N 2.88Å; D145-G149 VanDerWaalsContact O-N 3.08Å |
| 146 | G | 61.5 | Low | 59.2 | Low | 54 Ų | 54 | 86.9 Ų | 86.9 | 56% | 0.557 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.6 | -47.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E144 E150 | E144-G146 VanDerWaalsContact C-N 3.31Å; E144-G146 PolarHBondContact O-N 3.19Å; G146-E150 WeakPolarHBondContact O-CB 3.31Å; G146-E150 PolarHBondContact O-N 3.33Å |
| 147 | E | 67.6 | Low | 61.5 | Low | 108 Ų | 108 | 88.2 Ų | 88.2 | 51% | 0.505 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.6 | -41.1 | -179.5 | -72.4 | -165 | -178.4 | 0 | 0 | 112.1 | E150 L151 R217 | E147-E150 PolarHBondContact O-N 3.2Å; E147-L151 WeakPolarHBondContact O-CB 3.49Å; E147-L151 WeakPolarHBondContact O-CG 3.33Å; E147-L151 PolarHBondContact O-N 3.32Å; E147-R217 IonicContact OE2-NH2 2.6Å; E147-R217 PolarHBondContact OE2-NH2 3.16Å |
| 148 | L | 72.8 | Confident | 63.5 | Low | 26 Ų | 26 | 82.4 Ų | 82.4 | 14% | 0.136 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -65 | -42.3 | 177.4 | 178.9 | 62.3 | 0 | 0 | 0 | 111.3 | L151 S152 L212 E213 F216 | L148-L151 PolarHBondContact O-N 3.43Å; L148-S152 VanDerWaalsContact O-CB 3.27Å; L148-S152 WeakPolarHBondContact O-CB 3.48Å; L148-S152 PolarHBondContact O-N 3.46Å; L148-L212 HydrophobicContact CD1-CB 4.36Å; L148-L212 HydrophobicContact CD1-CD2 4.1Å; L148-L212 HydrophobicContact CD1-CG 3.97Å; L148-L212 HydrophobicContact CD2-CD2 4.17Å; L148-E213 HydrophobicContact CB-CG 4.01Å; L148-E213 HydrophobicContact CD1-CB 4.44Å; L148-E213 HydrophobicContact CD1-CG 3.75Å; L148-E213 HydrophobicContact CG-CG 4.31Å; L148-F216 HydrophobicContact CD1-CD2 3.96Å; L148-F216 HydrophobicContact CD1-CE2 4.24Å |
| 149 | G | 72.9 | Confident | 65.5 | Low | 39 Ų | 39 | 78.6 Ų | 78.6 | 40% | 0.402 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D145 Q153 | D145-G149 PolarHBondContact O-N 2.88Å; D145-G149 VanDerWaalsContact O-N 3.08Å; G149-Q153 WeakPolarHBondContact O-CB 3.45Å; G149-Q153 PolarHBondContact O-N 2.92Å |
| 150 | E | 79.1 | Confident | 67.7 | Low | 94 Ų | 94 | 72.1 Ų | 72.1 | 44% | 0.439 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 177.5 | -173.1 | 176.5 | -168.8 | 0 | 0 | 112.2 | G146 E147 Q153 R154 | G146-E150 WeakPolarHBondContact O-CB 3.31Å; G146-E150 PolarHBondContact O-N 3.33Å; E147-E150 PolarHBondContact O-N 3.2Å; E150-Q153 PolarHBondContact O-N 3.45Å; E150-R154 HydrophobicContact CG-CG 4.45Å; E150-R154 WeakPolarHBondContact O-CB 3.22Å; E150-R154 VanDerWaalsContact O-CG 3.3Å; E150-R154 WeakPolarHBondContact O-CG 3.41Å; E150-R154 PolarHBondContact O-N 3.16Å; E150-R154 IonicContact OE1-CZ 3.79Å; E150-R154 IonicContact OE1-NE 2.85Å; E150-R154 PolarHBondContact OE1-NE 2.61Å; E150-R154 VanDerWaalsContact OE1-NE 3.17Å; E150-R154 IonicContact OE1-NH2 2.66Å; E150-R154 PolarHBondContact OE1-NH2 3.43Å |
| 151 | L | 80.8 | Confident | 70 | Confident | 26 Ų | 26 | 73 Ų | 73 | 14% | 0.136 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.9 | -44 | 176.9 | -77.5 | 172.2 | 0 | 0 | 0 | 112 | E147 L148 Q153 R154 F155 F216 R217 L220 | E147-L151 WeakPolarHBondContact O-CB 3.49Å; E147-L151 WeakPolarHBondContact O-CG 3.33Å; E147-L151 PolarHBondContact O-N 3.32Å; L148-L151 PolarHBondContact O-N 3.43Å; L151-Q153 VanDerWaalsContact C-N 3.32Å; L151-Q153 PolarHBondContact O-N 3.49Å; L151-R154 PolarHBondContact O-N 2.9Å; L151-F155 VanDerWaalsContact O-CB 3.31Å; L151-F155 WeakPolarHBondContact O-CB 3.35Å; L151-F155 PolarHBondContact O-N 2.95Å; L151-F216 HydrophobicContact CB-CB 4.19Å; L151-R217 HydrophobicContact CD1-CG 3.83Å; L151-R217 HydrophobicContact CD2-CG 4.46Å; L151-L220 HydrophobicContact CD2-CD2 4.46Å |
| 152 | S | 79.4 | Confident | 71.6 | Confident | 13 Ų | 13 | 69 Ų | 69 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.2 | -42 | 175.5 | 177.5 | 0 | 0 | 0 | 0 | 111.2 | L148 F155 Y156 | L148-S152 VanDerWaalsContact O-CB 3.27Å; L148-S152 WeakPolarHBondContact O-CB 3.48Å; L148-S152 PolarHBondContact O-N 3.46Å; S152-F155 PolarHBondContact O-N 3.44Å; S152-Y156 WeakPolarHBondContact O-CB 3.42Å; S152-Y156 PolarHBondContact O-N 3.05Å |
| 153 | Q | 80.1 | Confident | 73.4 | Confident | 123 Ų | 123 | 64.4 Ų | 64.4 | 58% | 0.575 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -68 | -44.4 | 179.1 | -170.6 | 175.6 | 6.1 | 0 | 0 | 111.7 | G149 E150 L151 F155 Y156 Q157 | G149-Q153 WeakPolarHBondContact O-CB 3.45Å; G149-Q153 PolarHBondContact O-N 2.92Å; E150-Q153 PolarHBondContact O-N 3.45Å; L151-Q153 VanDerWaalsContact C-N 3.32Å; L151-Q153 PolarHBondContact O-N 3.49Å; Q153-F155 VanDerWaalsContact C-N 3.33Å; Q153-F155 PolarHBondContact O-N 3.17Å; Q153-Y156 PolarHBondContact O-N 3.47Å; Q153-Q157 WeakPolarHBondContact O-CB 3.41Å; Q153-Q157 VanDerWaalsContact O-CG 3.31Å; Q153-Q157 WeakPolarHBondContact O-CG 3.49Å; Q153-Q157 PolarHBondContact O-N 3.2Å |
| 154 | R | 82.8 | Confident | 74.7 | Confident | 129 Ų | 129 | 62.7 Ų | 62.7 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 175 | -73.7 | 176.1 | -179.6 | -162.7 | 2.2 | 111.6 | E150 L151 Q157 A158 | E150-R154 HydrophobicContact CG-CG 4.45Å; E150-R154 WeakPolarHBondContact O-CB 3.22Å; E150-R154 VanDerWaalsContact O-CG 3.3Å; E150-R154 WeakPolarHBondContact O-CG 3.41Å; E150-R154 PolarHBondContact O-N 3.16Å; E150-R154 IonicContact OE1-CZ 3.79Å; E150-R154 IonicContact OE1-NE 2.85Å; E150-R154 PolarHBondContact OE1-NE 2.61Å; E150-R154 VanDerWaalsContact OE1-NE 3.17Å; E150-R154 IonicContact OE1-NH2 2.66Å; E150-R154 PolarHBondContact OE1-NH2 3.43Å; L151-R154 PolarHBondContact O-N 2.9Å; R154-Q157 PolarHBondContact O-N 3.01Å; R154-A158 WeakPolarHBondContact O-CB 3.42Å; R154-A158 PolarHBondContact O-N 3.39Å |
| 155 | F | 83.6 | Confident | 75.9 | Confident | 1 Ų | 1 | 58 Ų | 58 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 177.1 | -170.5 | -92.4 | 0 | 0 | 0 | 112.4 | L151 S152 Q153 Q157 A158 A159 L188 V192 F216 A219 L220 L223 | L151-F155 VanDerWaalsContact O-CB 3.31Å; L151-F155 WeakPolarHBondContact O-CB 3.35Å; L151-F155 PolarHBondContact O-N 2.95Å; S152-F155 PolarHBondContact O-N 3.44Å; Q153-F155 VanDerWaalsContact C-N 3.33Å; Q153-F155 PolarHBondContact O-N 3.17Å; F155-Q157 PolarHBondContact O-N 3.42Å; F155-A158 PolarHBondContact O-N 2.88Å; F155-A159 WeakPolarHBondContact O-CB 3.36Å; F155-A159 PolarHBondContact O-N 2.97Å; F155-L188 HydrophobicContact CD1-CB 4.35Å; F155-L188 HydrophobicContact CE1-CB 4.07Å; F155-V192 HydrophobicContact CE1-CB 4Å; F155-V192 HydrophobicContact CE1-CG1 4.24Å; F155-V192 HydrophobicContact CE1-CG2 3.94Å; F155-V192 HydrophobicContact CZ-CB 3.75Å; F155-V192 HydrophobicContact CZ-CG1 3.75Å; F155-V192 HydrophobicContact CZ-CG2 4.22Å; F155-F216 HydrophobicContact CB-CD1 3.57Å; F155-F216 HydrophobicContact CB-CE1 3.71Å; F155-F216 HydrophobicContact CD1-CD1 4.1Å; F155-F216 AromaticContact CD1-CE1 3.76Å; F155-F216 HydrophobicContact CD1-CE1 3.76Å; F155-F216 HydrophobicContact CD2-CD1 4.05Å; F155-F216 AromaticContact CG-CD1 3.64Å; F155-F216 HydrophobicContact CG-CD1 3.64Å; F155-F216 AromaticContact CG-CE1 3.75Å; F155-F216 HydrophobicContact CG-CE1 3.75Å; F155-A219 HydrophobicContact CE2-CB 3.6Å; F155-A219 HydrophobicContact CZ-CB 4.08Å; F155-L220 HydrophobicContact CB-CD1 4.04Å; F155-L220 HydrophobicContact CD2-CB 4.03Å; F155-L220 HydrophobicContact CD2-CD1 3.81Å; F155-L220 HydrophobicContact CG-CD1 4.38Å; F155-L223 HydrophobicContact CD2-CD2 4.08Å; F155-L223 HydrophobicContact CE2-CB 4.48Å; F155-L223 HydrophobicContact CE2-CD2 3.86Å; F155-L223 HydrophobicContact CG-CD2 4.48Å; F155-L223 HydrophobicContact CZ-CD2 4.11Å |
| 156 | Y | 81.8 | Confident | 76.6 | Confident | 79 Ų | 79 | 55.5 Ų | 55.5 | 31% | 0.31 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 176.4 | -174.1 | -95.4 | 0 | 0 | 0 | 111.6 | S152 Q153 A158 A159 V160 L188 | S152-Y156 WeakPolarHBondContact O-CB 3.42Å; S152-Y156 PolarHBondContact O-N 3.05Å; Q153-Y156 PolarHBondContact O-N 3.47Å; Y156-A158 PolarHBondContact O-N 3.44Å; Y156-A159 PolarHBondContact O-N 3.01Å; Y156-V160 HydrophobicContact CD1-CG2 4.1Å; Y156-V160 HydrophobicContact CE1-CG2 3.72Å; Y156-V160 WeakPolarHBondContact O-CG2 3.48Å; Y156-V160 PolarHBondContact O-N 2.88Å; Y156-L188 HydrophobicContact CD2-CD1 3.99Å |
| 157 | Q | 82.9 | Confident | 76.6 | Confident | 111 Ų | 111 | 58.1 Ų | 58.1 | 52% | 0.519 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 175.9 | -73.8 | 174.9 | 3.5 | 0 | 0 | 112.2 | Q153 R154 F155 A159 V160 Q161 | Q153-Q157 WeakPolarHBondContact O-CB 3.41Å; Q153-Q157 VanDerWaalsContact O-CG 3.31Å; Q153-Q157 WeakPolarHBondContact O-CG 3.49Å; Q153-Q157 PolarHBondContact O-N 3.2Å; R154-Q157 PolarHBondContact O-N 3.01Å; F155-Q157 PolarHBondContact O-N 3.42Å; Q157-A159 VanDerWaalsContact C-N 3.34Å; Q157-A159 PolarHBondContact O-N 3.45Å; Q157-V160 PolarHBondContact O-N 3.14Å; Q157-Q161 WeakPolarHBondContact O-CB 3.29Å; Q157-Q161 PolarHBondContact O-N 3.18Å |
| 158 | A | 81.2 | Confident | 76 | Confident | 10 Ų | 10 | 57.2 Ų | 57.2 | 8% | 0.083 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.5 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R154 F155 Y156 Q161 L162 L220 L223 I227 | R154-A158 WeakPolarHBondContact O-CB 3.42Å; R154-A158 PolarHBondContact O-N 3.39Å; F155-A158 PolarHBondContact O-N 2.88Å; Y156-A158 PolarHBondContact O-N 3.44Å; A158-Q161 PolarHBondContact O-N 2.72Å; A158-L162 PolarHBondContact O-N 3.2Å; A158-L220 HydrophobicContact CB-CD1 4.28Å; A158-L223 HydrophobicContact CB-CD2 3.56Å; A158-L223 HydrophobicContact CB-CG 4.01Å; A158-I227 HydrophobicContact CB-CD1 3.96Å; A158-I227 VanDerWaalsContact O-CD1 3.27Å; A158-I227 WeakPolarHBondContact O-CD1 3.44Å |
| 159 | A | 80.9 | Confident | 74.9 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 2% | 0.017 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | F155 Y156 Q157 L162 L163 L180 L223 | F155-A159 WeakPolarHBondContact O-CB 3.36Å; F155-A159 PolarHBondContact O-N 2.97Å; Y156-A159 PolarHBondContact O-N 3.01Å; Q157-A159 VanDerWaalsContact C-N 3.34Å; Q157-A159 PolarHBondContact O-N 3.45Å; A159-L162 PolarHBondContact O-N 3.13Å; A159-L163 PolarHBondContact O-N 2.89Å; A159-L180 HydrophobicContact CB-CD1 4.06Å; A159-L180 HydrophobicContact CB-CD2 4.46Å; A159-L223 HydrophobicContact CB-CD2 4.17Å |
| 160 | V | 81.3 | Confident | 74.2 | Confident | 67 Ų | 67 | 61.5 Ų | 61.5 | 41% | 0.406 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 173.8 | 174.3 | 0 | 0 | 0 | 0 | 111.3 | Y156 Q157 L162 L163 G164 | Y156-V160 HydrophobicContact CD1-CG2 4.1Å; Y156-V160 HydrophobicContact CE1-CG2 3.72Å; Y156-V160 WeakPolarHBondContact O-CG2 3.48Å; Y156-V160 PolarHBondContact O-N 2.88Å; Q157-V160 PolarHBondContact O-N 3.14Å; V160-L162 PolarHBondContact O-N 3.11Å; V160-L163 WeakPolarHBondContact O-CB 3.2Å; V160-L163 PolarHBondContact O-N 3.23Å; V160-G164 PolarHBondContact O-N 3.46Å |
| 161 | Q | 80.9 | Confident | 73.1 | Confident | 87 Ų | 87 | 62 Ų | 62 | 41% | 0.407 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 175.6 | -178.3 | 176.3 | 29.2 | 0 | 0 | 111.6 | Q157 A158 L163 G164 M165 I227 | Q157-Q161 WeakPolarHBondContact O-CB 3.29Å; Q157-Q161 PolarHBondContact O-N 3.18Å; A158-Q161 PolarHBondContact O-N 2.72Å; Q161-L163 VanDerWaalsContact C-N 3.34Å; Q161-G164 PolarHBondContact O-N 3.37Å; Q161-M165 HydrophobicContact CG-CE 3.7Å; Q161-M165 HydrophobicContact CG-SD 4.5Å; Q161-M165 WeakPolarHBondContact O-CG 3.46Å; Q161-M165 PolarHBondContact O-N 2.65Å; Q161-I227 HydrophobicContact CG-CG2 4.39Å |
| 162 | L | 78.6 | Confident | 71.9 | Confident | 19 Ų | 19 | 66 Ų | 66 | 10% | 0.099 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.5 | -45 | 175.3 | -176.6 | 145.7 | 0 | 0 | 0 | 110.8 | A158 A159 V160 G164 M165 L166 L223 Q226 I227 L230 | A158-L162 PolarHBondContact O-N 3.2Å; A159-L162 PolarHBondContact O-N 3.13Å; V160-L162 PolarHBondContact O-N 3.11Å; L162-G164 PolarHBondContact O-N 2.85Å; L162-M165 PolarHBondContact O-N 2.84Å; L162-L166 HydrophobicContact CD2-CD1 3.61Å; L162-L166 WeakPolarHBondContact O-CG 3.4Å; L162-L166 PolarHBondContact O-N 3.23Å; L162-L223 HydrophobicContact CB-CD1 4.18Å; L162-L223 HydrophobicContact CD1-CD1 3.56Å; L162-L223 HydrophobicContact CG-CD1 4.43Å; L162-Q226 HydrophobicContact CD1-CB 3.98Å; L162-I227 HydrophobicContact CB-CD1 4.28Å; L162-I227 HydrophobicContact CB-CG1 3.9Å; L162-I227 HydrophobicContact CD1-CG1 4.17Å; L162-I227 HydrophobicContact CG-CG1 4.43Å; L162-L230 HydrophobicContact CG-CD1 4.36Å |
| 163 | L | 73.9 | Confident | 71.1 | Confident | 8 Ų | 8 | 66 Ų | 66 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 174.9 | -89.2 | 173 | 0 | 0 | 0 | 113.1 | A159 V160 Q161 M165 L166 V173 F176 R177 L180 | A159-L163 PolarHBondContact O-N 2.89Å; V160-L163 WeakPolarHBondContact O-CB 3.2Å; V160-L163 PolarHBondContact O-N 3.23Å; Q161-L163 VanDerWaalsContact C-N 3.34Å; L163-M165 PolarHBondContact O-N 3.43Å; L163-L166 PolarHBondContact O-N 2.91Å; L163-L166 VanDerWaalsContact O-N 3.09Å; L163-V173 HydrophobicContact CD2-CG1 3.52Å; L163-F176 HydrophobicContact CD1-CD1 4.04Å; L163-F176 HydrophobicContact CD1-CE1 4.26Å; L163-F176 HydrophobicContact CD2-CB 4.39Å; L163-F176 HydrophobicContact CD2-CD1 3.43Å; L163-F176 VanDerWaalsContact CD2-CD1 3.43Å; L163-F176 HydrophobicContact CD2-CE1 4.15Å; L163-F176 HydrophobicContact CD2-CG 4.33Å; L163-F176 HydrophobicContact CG-CD1 3.7Å; L163-F176 HydrophobicContact CG-CE1 3.92Å; L163-R177 HydrophobicContact CD1-CB 4.11Å; L163-R177 HydrophobicContact CD1-CG 4.43Å; L163-L180 HydrophobicContact CD1-CD1 3.27Å; L163-L180 HydrophobicContact CD1-CG 4.37Å; L163-L180 HydrophobicContact CG-CD1 4.32Å |
| 164 | G | 69.5 | Low | 70.3 | Confident | 68 Ų | 68 | 61.8 Ų | 61.8 | 70% | 0.701 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -67.1 | -18.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V160 Q161 L162 | V160-G164 PolarHBondContact O-N 3.46Å; Q161-G164 PolarHBondContact O-N 3.37Å; L162-G164 PolarHBondContact O-N 2.85Å |
| 165 | M | 69.9 | Low | 69.2 | Low | 42 Ų | 42 | 62.5 Ų | 62.5 | 21% | 0.207 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -8.9 | 174.3 | -68.8 | 178.6 | -177.3 | 0 | 0 | 113.3 | Q161 L162 L163 I227 K231 Q234 | Q161-M165 HydrophobicContact CG-CE 3.7Å; Q161-M165 HydrophobicContact CG-SD 4.5Å; Q161-M165 WeakPolarHBondContact O-CG 3.46Å; Q161-M165 PolarHBondContact O-N 2.65Å; L162-M165 PolarHBondContact O-N 2.84Å; L163-M165 PolarHBondContact O-N 3.43Å; M165-I227 HydrophobicContact CE-CG2 4.19Å; M165-I227 HydrophobicContact SD-CG2 4.01Å; M165-K231 HydrophobicContact CE-CD 4.3Å; M165-K231 HydrophobicContact CE-CG 3.97Å; M165-K231 HydrophobicContact SD-CG 4.08Å; M165-Q234 PolarHBondContact O-NE2 3.07Å |
| 166 | L | 67.6 | Low | 68.5 | Low | 60 Ų | 60 | 63.5 Ų | 63.5 | 31% | 0.314 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -99.7 | 147.7 | 178.7 | -64.1 | 171.2 | 0 | 0 | 0 | 110.4 | L162 L163 M168 V173 L230 | L162-L166 HydrophobicContact CD2-CD1 3.61Å; L162-L166 WeakPolarHBondContact O-CG 3.4Å; L162-L166 PolarHBondContact O-N 3.23Å; L163-L166 PolarHBondContact O-N 2.91Å; L163-L166 VanDerWaalsContact O-N 3.09Å; L166-M168 PolarHBondContact O-N 3.37Å; L166-V173 HydrophobicContact CB-CG1 4.2Å; L166-V173 HydrophobicContact CB-CG2 4.06Å; L166-V173 HydrophobicContact CD1-CG2 4.35Å; L166-L230 HydrophobicContact CD2-CD1 4.27Å |
| 167 | D | 62.1 | Low | 67.9 | Low | 109 Ų | 109 | 66 Ų | 66 | 58% | 0.583 | 37% | 0.37 | S | S | * | . | trans | -70.2 | 122.1 | -179.2 | -166.3 | -25.9 | 0 | 0 | 0 | 110.8 | S169 V170 | D167-S169 PolarHBondContact O-N 3.46Å; D167-S169 WeakPolarHBondContact OD1-CB 3.33Å; D167-S169 PolarHBondContact OD1-N 3.03Å; D167-S169 PolarHBondContact OD1-OG 2.99Å; D167-S169 PolarHBondContact OD2-OG 2.92Å; D167-V170 HydrophobicContact CB-CG2 4.46Å; D167-V170 PolarHBondContact O-N 2.99Å | ||
| 168 | M | 53.8 | Low | 67.2 | Low | 89 Ų | 89 | 69.8 Ų | 69.8 | 44% | 0.438 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -12.3 | -177.9 | -69.6 | -62.3 | -56.8 | 0 | 0 | 113.3 | L166 V170 V173 | L166-M168 PolarHBondContact O-N 3.37Å; M168-V170 PolarHBondContact O-N 3.13Å; M168-V173 HydrophobicContact SD-CG1 3.92Å |
| 169 | S | 49.3 | Very low | 66.6 | Low | 91 Ų | 91 | 72 Ų | 72 | 64% | 0.636 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -11.2 | 173 | 62 | 0 | 0 | 0 | 0 | 113.5 | D167 P171 | D167-S169 PolarHBondContact O-N 3.46Å; D167-S169 WeakPolarHBondContact OD1-CB 3.33Å; D167-S169 PolarHBondContact OD1-N 3.03Å; D167-S169 PolarHBondContact OD1-OG 2.99Å; D167-S169 PolarHBondContact OD2-OG 2.92Å; S169-P171 WeakPolarHBondContact O-CD 3.32Å |
| 170 | V | 58.7 | Low | 66 | Low | 63 Ų | 63 | 72.3 Ų | 72.3 | 38% | 0.382 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -85 | 116.9 | 178.2 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | D167 M168 V172 V173 A174 | D167-V170 HydrophobicContact CB-CG2 4.46Å; D167-V170 PolarHBondContact O-N 2.99Å; M168-V170 PolarHBondContact O-N 3.13Å; V170-V172 HydrophobicContact CG1-CB 4.12Å; V170-V172 HydrophobicContact CG1-CG2 4.47Å; V170-V172 PolarHBondContact O-N 2.75Å; V170-V173 HydrophobicContact CB-CB 4.32Å; V170-V173 HydrophobicContact CB-CG2 3.8Å; V170-V173 HydrophobicContact CG1-CG2 4.07Å; V170-V173 WeakPolarHBondContact O-CB 3.24Å; V170-V173 PolarHBondContact O-N 2.86Å; V170-A174 PolarHBondContact O-N 3.23Å |
| 171 | P | 55.2 | Low | 65.4 | Low | 106 Ų | 106 | 74 Ų | 74 | 69% | 0.688 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -57.5 | -28.5 | -177 | -25.5 | 33.7 | 0 | 0 | 0 | 114.6 | S169 A174 K175 | S169-P171 WeakPolarHBondContact O-CD 3.32Å; P171-A174 PolarHBondContact O-N 3.39Å; P171-K175 WeakPolarHBondContact O-CB 3.32Å; P171-K175 PolarHBondContact O-N 2.9Å |
| 172 | V | 55.8 | Low | 64.7 | Low | 109 Ų | 109 | 74 Ų | 74 | 66% | 0.661 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -66.4 | -36.9 | 176.3 | -177.6 | 0 | 0 | 0 | 0 | 111.5 | V170 K175 F176 | V170-V172 HydrophobicContact CG1-CB 4.12Å; V170-V172 HydrophobicContact CG1-CG2 4.47Å; V170-V172 PolarHBondContact O-N 2.75Å; V172-K175 PolarHBondContact O-N 3.41Å; V172-F176 WeakPolarHBondContact O-CB 3.4Å; V172-F176 PolarHBondContact O-N 3.15Å |
| 173 | V | 62.5 | Low | 64.2 | Low | 14 Ų | 14 | 75.8 Ų | 75.8 | 9% | 0.085 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -70.4 | -40.3 | 178.2 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | L163 L166 M168 V170 F176 R177 | L163-V173 HydrophobicContact CD2-CG1 3.52Å; L166-V173 HydrophobicContact CB-CG1 4.2Å; L166-V173 HydrophobicContact CB-CG2 4.06Å; L166-V173 HydrophobicContact CD1-CG2 4.35Å; M168-V173 HydrophobicContact SD-CG1 3.92Å; V170-V173 HydrophobicContact CB-CB 4.32Å; V170-V173 HydrophobicContact CB-CG2 3.8Å; V170-V173 HydrophobicContact CG1-CG2 4.07Å; V170-V173 WeakPolarHBondContact O-CB 3.24Å; V170-V173 PolarHBondContact O-N 2.86Å; V173-F176 PolarHBondContact O-N 3.15Å; V173-R177 WeakPolarHBondContact O-CB 3.35Å; V173-R177 PolarHBondContact O-N 2.98Å |
| 174 | A | 63.2 | Low | 64.1 | Low | 33 Ų | 33 | 78.8 Ų | 78.8 | 27% | 0.273 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V170 P171 R178 | V170-A174 PolarHBondContact O-N 3.23Å; P171-A174 PolarHBondContact O-N 3.39Å; A174-R178 WeakPolarHBondContact O-CG 3.34Å; A174-R178 PolarHBondContact O-N 3.24Å; A174-R178 VanDerWaalsContact O-N 3.09Å |
| 175 | K | 61.3 | Low | 64.1 | Low | 144 Ų | 144 | 83.3 Ų | 83.3 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -68.3 | -40 | 174.5 | -170.8 | 176.3 | 175.4 | -179.2 | 0 | 111.9 | P171 V172 R178 L179 | P171-K175 WeakPolarHBondContact O-CB 3.32Å; P171-K175 PolarHBondContact O-N 2.9Å; V172-K175 PolarHBondContact O-N 3.41Å; K175-R178 PolarHBondContact O-N 3.37Å; K175-L179 HydrophobicContact CG-CD1 4.44Å; K175-L179 WeakPolarHBondContact O-CG 3.44Å; K175-L179 PolarHBondContact O-N 2.92Å |
| 176 | F | 67.4 | Low | 64.2 | Low | 23 Ų | 23 | 83.6 Ų | 83.6 | 10% | 0.101 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 176 | -176.4 | -130.4 | 0 | 0 | 0 | 111.7 | L163 V172 V173 L179 L180 V192 M195 | L163-F176 HydrophobicContact CD1-CD1 4.04Å; L163-F176 HydrophobicContact CD1-CE1 4.26Å; L163-F176 HydrophobicContact CD2-CB 4.39Å; L163-F176 HydrophobicContact CD2-CD1 3.43Å; L163-F176 VanDerWaalsContact CD2-CD1 3.43Å; L163-F176 HydrophobicContact CD2-CE1 4.15Å; L163-F176 HydrophobicContact CD2-CG 4.33Å; L163-F176 HydrophobicContact CG-CD1 3.7Å; L163-F176 HydrophobicContact CG-CE1 3.92Å; V172-F176 WeakPolarHBondContact O-CB 3.4Å; V172-F176 PolarHBondContact O-N 3.15Å; V173-F176 PolarHBondContact O-N 3.15Å; F176-L179 PolarHBondContact O-N 3.41Å; F176-L180 HydrophobicContact CE1-CD1 4.13Å; F176-L180 HydrophobicContact CE2-CD2 4.15Å; F176-L180 HydrophobicContact CE2-CG 4.25Å; F176-L180 HydrophobicContact CZ-CD1 4.21Å; F176-L180 HydrophobicContact CZ-CD2 4.15Å; F176-L180 HydrophobicContact CZ-CG 4.24Å; F176-L180 WeakPolarHBondContact O-CG 3.25Å; F176-L180 PolarHBondContact O-N 3.28Å; F176-V192 HydrophobicContact CE2-CG2 4.16Å; F176-V192 HydrophobicContact CZ-CG2 3.97Å; F176-M195 HydrophobicContact CD2-CE 3.92Å; F176-M195 HydrophobicContact CD2-SD 3.2Å; F176-M195 WeakPolarHBondContact CD2-SD 3.47Å; F176-M195 HydrophobicContact CE2-CE 4.28Å; F176-M195 HydrophobicContact CE2-SD 3.35Å; F176-M195 WeakPolarHBondContact CE2-SD 3.36Å; F176-M195 HydrophobicContact CG-SD 4.1Å; F176-M195 HydrophobicContact CZ-SD 4.34Å |
| 177 | R | 69.7 | Low | 64.5 | Low | 131 Ų | 131 | 82.2 Ų | 82.2 | 49% | 0.494 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.5 | -47.7 | 172.5 | -173.4 | 171.8 | -178.2 | 165 | -0.7 | 112.4 | L163 V173 L179 L180 D181 | L163-R177 HydrophobicContact CD1-CB 4.11Å; L163-R177 HydrophobicContact CD1-CG 4.43Å; V173-R177 WeakPolarHBondContact O-CB 3.35Å; V173-R177 PolarHBondContact O-N 2.98Å; R177-L179 VanDerWaalsContact C-N 3.27Å; R177-L179 PolarHBondContact O-N 2.99Å; R177-L180 PolarHBondContact O-N 3.4Å; R177-D181 VanDerWaalsContact O-CG 3.27Å; R177-D181 PolarHBondContact O-N 3.06Å |
| 178 | R | 68.8 | Low | 65.3 | Low | 191 Ų | 191 | 77.1 Ų | 77.1 | 72% | 0.721 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -59.3 | -37.8 | 174.4 | -71.4 | 177.7 | -174.2 | 178.8 | 2.3 | 112.5 | A174 K175 D181 S182 | A174-R178 WeakPolarHBondContact O-CG 3.34Å; A174-R178 PolarHBondContact O-N 3.24Å; A174-R178 VanDerWaalsContact O-N 3.09Å; K175-R178 PolarHBondContact O-N 3.37Å; R178-D181 PolarHBondContact O-N 3.32Å; R178-S182 VanDerWaalsContact O-CB 3.24Å; R178-S182 WeakPolarHBondContact O-CB 3.2Å; R178-S182 PolarHBondContact O-N 2.96Å; R178-S182 VanDerWaalsContact O-N 3.11Å; R178-S182 PolarHBondContact O-OG 3.02Å |
| 179 | L | 67.6 | Low | 66.8 | Low | 56 Ų | 56 | 72.9 Ų | 72.9 | 29% | 0.293 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.1 | -45 | 175.8 | -74.5 | 171.3 | 0 | 0 | 0 | 111.7 | K175 F176 R177 D181 S182 L183 M195 | K175-L179 HydrophobicContact CG-CD1 4.44Å; K175-L179 WeakPolarHBondContact O-CG 3.44Å; K175-L179 PolarHBondContact O-N 2.92Å; F176-L179 PolarHBondContact O-N 3.41Å; R177-L179 VanDerWaalsContact C-N 3.27Å; R177-L179 PolarHBondContact O-N 2.99Å; L179-D181 VanDerWaalsContact C-N 3.29Å; L179-D181 PolarHBondContact O-N 3.12Å; L179-S182 PolarHBondContact O-N 3.34Å; L179-S182 PolarHBondContact O-OG 3.42Å; L179-L183 HydrophobicContact CB-CD1 4.1Å; L179-L183 HydrophobicContact CD2-CD1 4.28Å; L179-L183 VanDerWaalsContact O-CB 3.31Å; L179-L183 WeakPolarHBondContact O-CB 3.15Å; L179-L183 WeakPolarHBondContact O-CD1 3.45Å; L179-L183 WeakPolarHBondContact O-CG 3.4Å; L179-L183 PolarHBondContact O-N 3.03Å; L179-M195 HydrophobicContact CD1-CE 4.06Å |
| 180 | L | 69.3 | Low | 68.4 | Low | 8 Ų | 8 | 68.8 Ų | 68.8 | 4% | 0.042 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.3 | -37.5 | 174.6 | -71.1 | -175.1 | 0 | 0 | 0 | 112.8 | A159 L163 F176 R177 S182 L188 V192 | A159-L180 HydrophobicContact CB-CD1 4.06Å; A159-L180 HydrophobicContact CB-CD2 4.46Å; L163-L180 HydrophobicContact CD1-CD1 3.27Å; L163-L180 HydrophobicContact CD1-CG 4.37Å; L163-L180 HydrophobicContact CG-CD1 4.32Å; F176-L180 HydrophobicContact CE1-CD1 4.13Å; F176-L180 HydrophobicContact CE2-CD2 4.15Å; F176-L180 HydrophobicContact CE2-CG 4.25Å; F176-L180 HydrophobicContact CZ-CD1 4.21Å; F176-L180 HydrophobicContact CZ-CD2 4.15Å; F176-L180 HydrophobicContact CZ-CG 4.24Å; F176-L180 WeakPolarHBondContact O-CG 3.25Å; F176-L180 PolarHBondContact O-N 3.28Å; R177-L180 PolarHBondContact O-N 3.4Å; L180-S182 VanDerWaalsContact C-N 3.34Å; L180-L188 HydrophobicContact CD2-CD2 3.68Å; L180-V192 HydrophobicContact CD2-CG2 4.08Å |
| 181 | D | 68 | Low | 69.5 | Low | 104 Ų | 104 | 66.2 Ų | 66.2 | 56% | 0.556 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -76.1 | -21.1 | 179.9 | -65.3 | -26.9 | 0 | 0 | 0 | 112.7 | R177 R178 L179 | R177-D181 VanDerWaalsContact O-CG 3.27Å; R177-D181 PolarHBondContact O-N 3.06Å; R178-D181 PolarHBondContact O-N 3.32Å; L179-D181 VanDerWaalsContact C-N 3.29Å; L179-D181 PolarHBondContact O-N 3.12Å |
| 182 | S | 67.4 | Low | 70.8 | Confident | 86 Ų | 86 | 61.2 Ų | 61.2 | 60% | 0.601 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -106.7 | -19.4 | -173.1 | 67.3 | 0 | 0 | 0 | 0 | 115.3 | R178 L179 L180 | R178-S182 VanDerWaalsContact O-CB 3.24Å; R178-S182 WeakPolarHBondContact O-CB 3.2Å; R178-S182 PolarHBondContact O-N 2.96Å; R178-S182 VanDerWaalsContact O-N 3.11Å; R178-S182 PolarHBondContact O-OG 3.02Å; L179-S182 PolarHBondContact O-N 3.34Å; L179-S182 PolarHBondContact O-OG 3.42Å; L180-S182 VanDerWaalsContact C-N 3.34Å |
| 183 | L | 67.6 | Low | 72.1 | Confident | 56 Ų | 56 | 56.1 Ų | 56.1 | 29% | 0.293 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -89.8 | 144.6 | -175.7 | -78.5 | 164.3 | 0 | 0 | 0 | 111.9 | L179 L188 V191 | L179-L183 HydrophobicContact CB-CD1 4.1Å; L179-L183 HydrophobicContact CD2-CD1 4.28Å; L179-L183 VanDerWaalsContact O-CB 3.31Å; L179-L183 WeakPolarHBondContact O-CB 3.15Å; L179-L183 WeakPolarHBondContact O-CD1 3.45Å; L179-L183 WeakPolarHBondContact O-CG 3.4Å; L179-L183 PolarHBondContact O-N 3.03Å; L183-L188 HydrophobicContact CB-CD2 4.25Å; L183-V191 HydrophobicContact CD1-CG1 4.32Å; L183-V191 HydrophobicContact CD1-CG2 4.18Å |
| 184 | P | 71.1 | Confident | 73.1 | Confident | 72 Ų | 72 | 56.8 Ų | 56.8 | 47% | 0.468 | 28% | 0.276 | S | S | . | . | trans | -57.7 | 142.4 | 170.1 | -20.3 | 31.5 | 0 | 0 | 0 | 111.1 | E186 T187 | P184-E186 VanDerWaalsContact C-OE2 3.3Å; P184-E186 WeakPolarHBondContact CB-OE2 3.49Å; P184-E186 PolarHBondContact O-N 3.41Å; P184-E186 VanDerWaalsContact O-N 3.09Å; P184-T187 PolarHBondContact O-N 2.93Å; P184-T187 PolarHBondContact O-OG1 2.98Å | ||
| 185 | R | 69.8 | Low | 73.8 | Confident | 163 Ų | 163 | 59.9 Ų | 59.9 | 62% | 0.615 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -58.6 | -29.3 | -174.2 | -70.2 | -179.4 | 177.2 | 169.8 | 1.5 | 112 | T187 L188 F216 | R185-T187 VanDerWaalsContact C-N 3.26Å; R185-T187 PolarHBondContact O-N 3.26Å; R185-L188 HydrophobicContact CB-CD1 4.45Å; R185-L188 HydrophobicContact CG-CD1 4.49Å; R185-L188 WeakPolarHBondContact O-CB 3.26Å; R185-L188 WeakPolarHBondContact O-CG 3.34Å; R185-L188 PolarHBondContact O-N 2.97Å; R185-F216 WeakPolarHBondContact O-CZ 3.49Å |
| 186 | E | 72.1 | Confident | 74.6 | Confident | 48 Ų | 48 | 53.9 Ų | 53.9 | 22% | 0.224 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -68.5 | -25.2 | -177.6 | -51.9 | 71.6 | -151.6 | 0 | 0 | 112.1 | L130 P184 L212 | L130-E186 HydrophobicContact CD2-CB 4.27Å; P184-E186 VanDerWaalsContact C-OE2 3.3Å; P184-E186 WeakPolarHBondContact CB-OE2 3.49Å; P184-E186 PolarHBondContact O-N 3.41Å; P184-E186 VanDerWaalsContact O-N 3.09Å; E186-L212 HydrophobicContact CB-CD1 4.16Å; E186-L212 HydrophobicContact CB-CD2 3.89Å; E186-L212 HydrophobicContact CG-CD2 3.76Å; E186-L212 VanDerWaalsContact O-CD1 3.28Å; E186-L212 WeakPolarHBondContact O-CD1 3.44Å |
| 187 | T | 74.8 | Confident | 74.9 | Confident | 30 Ų | 30 | 63.5 Ų | 63.5 | 18% | 0.184 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -92.5 | -10.9 | -179.7 | 65.1 | 0 | 0 | 0 | 0 | 113.4 | P184 R185 D190 V191 | P184-T187 PolarHBondContact O-N 2.93Å; P184-T187 PolarHBondContact O-OG1 2.98Å; R185-T187 VanDerWaalsContact C-N 3.26Å; R185-T187 PolarHBondContact O-N 3.26Å; T187-D190 PolarHBondContact O-N 3.08Å; T187-V191 WeakPolarHBondContact O-CG2 3.32Å; T187-V191 PolarHBondContact O-N 2.97Å |
| 188 | L | 79.3 | Confident | 75.4 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62 | -42.3 | -175.6 | -64.5 | 179.2 | 0 | 0 | 0 | 114 | F155 Y156 L180 L183 R185 D190 V191 V192 | F155-L188 HydrophobicContact CD1-CB 4.35Å; F155-L188 HydrophobicContact CE1-CB 4.07Å; Y156-L188 HydrophobicContact CD2-CD1 3.99Å; L180-L188 HydrophobicContact CD2-CD2 3.68Å; L183-L188 HydrophobicContact CB-CD2 4.25Å; R185-L188 HydrophobicContact CB-CD1 4.45Å; R185-L188 HydrophobicContact CG-CD1 4.49Å; R185-L188 WeakPolarHBondContact O-CB 3.26Å; R185-L188 WeakPolarHBondContact O-CG 3.34Å; R185-L188 PolarHBondContact O-N 2.97Å; L188-D190 VanDerWaalsContact C-N 3.26Å; L188-D190 PolarHBondContact O-N 2.78Å; L188-V191 PolarHBondContact O-N 2.78Å; L188-V192 VanDerWaalsContact O-CB 3.24Å; L188-V192 WeakPolarHBondContact O-CB 3.46Å; L188-V192 WeakPolarHBondContact O-CG2 3.4Å; L188-V192 PolarHBondContact O-N 3.29Å |
| 189 | P | 83.4 | Confident | 76.1 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.1 | -42.8 | 178.9 | -27.5 | 36.7 | 0 | 0 | 0 | 112.6 | A193 R215 F216 A219 | P189-A193 WeakPolarHBondContact O-CB 3.45Å; P189-A193 PolarHBondContact O-N 3.18Å; P189-R215 HydrophobicContact CB-CB 3.95Å; P189-R215 HydrophobicContact CG-CB 4.32Å; P189-F216 HydrophobicContact CG-CD1 3.55Å; P189-F216 HydrophobicContact CG-CD2 3.91Å; P189-F216 HydrophobicContact CG-CE1 3.41Å; P189-F216 VanDerWaalsContact CG-CE1 3.41Å; P189-F216 HydrophobicContact CG-CE2 3.78Å; P189-F216 HydrophobicContact CG-CG 3.8Å; P189-F216 HydrophobicContact CG-CZ 3.53Å; P189-A219 HydrophobicContact CB-CB 4.05Å |
| 190 | D | 83.6 | Confident | 76.8 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.027 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.9 | -46 | -174.9 | -64.1 | -27.1 | 0 | 0 | 0 | 111.4 | L24 R107 T187 L188 S194 R215 | L24-D190 HydrophobicContact CB-CB 4.46Å; L24-D190 WeakPolarHBondContact CD1-O 3.19Å; R107-D190 IonicContact CZ-OD1 2.98Å; R107-D190 IonicContact CZ-OD2 2.79Å; R107-D190 IonicContact NH1-OD1 2.77Å; R107-D190 IonicContact NH1-OD2 3.55Å; R107-D190 PolarHBondContact NH1-OD2 3.31Å; R107-D190 VanDerWaalsContact NH2-CG 3.25Å; R107-D190 IonicContact NH2-OD1 3.93Å; R107-D190 PolarHBondContact NH2-OD1 2.8Å; R107-D190 IonicContact NH2-OD2 2.85Å; R107-D190 PolarHBondContact NH2-OD2 2.8Å; T187-D190 PolarHBondContact O-N 3.08Å; L188-D190 VanDerWaalsContact C-N 3.26Å; L188-D190 PolarHBondContact O-N 2.78Å; D190-S194 WeakPolarHBondContact O-CB 3.38Å; D190-S194 PolarHBondContact O-N 3.23Å; D190-S194 VanDerWaalsContact O-N 3.11Å; D190-R215 IonicContact OD2-NH1 2.75Å; D190-R215 PolarHBondContact OD2-NH1 3.17Å |
| 191 | V | 82.1 | Confident | 77.6 | Confident | 8 Ų | 8 | 60.8 Ų | 60.8 | 5% | 0.048 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.7 | -46.2 | 179 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | L183 T187 L188 S194 M195 | L183-V191 HydrophobicContact CD1-CG1 4.32Å; L183-V191 HydrophobicContact CD1-CG2 4.18Å; T187-V191 WeakPolarHBondContact O-CG2 3.32Å; T187-V191 PolarHBondContact O-N 2.97Å; L188-V191 PolarHBondContact O-N 2.78Å; V191-S194 PolarHBondContact O-N 3.1Å; V191-S194 PolarHBondContact O-OG 3.41Å; V191-M195 HydrophobicContact CG1-CE 3.8Å; V191-M195 PolarHBondContact O-N 3.43Å |
| 192 | V | 81.6 | Confident | 78.4 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.6 | -41.9 | -178.7 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | F155 F176 L180 L188 S194 M195 I196 L223 | F155-V192 HydrophobicContact CE1-CB 4Å; F155-V192 HydrophobicContact CE1-CG1 4.24Å; F155-V192 HydrophobicContact CE1-CG2 3.94Å; F155-V192 HydrophobicContact CZ-CB 3.75Å; F155-V192 HydrophobicContact CZ-CG1 3.75Å; F155-V192 HydrophobicContact CZ-CG2 4.22Å; F176-V192 HydrophobicContact CE2-CG2 4.16Å; F176-V192 HydrophobicContact CZ-CG2 3.97Å; L180-V192 HydrophobicContact CD2-CG2 4.08Å; L188-V192 VanDerWaalsContact O-CB 3.24Å; L188-V192 WeakPolarHBondContact O-CB 3.46Å; L188-V192 WeakPolarHBondContact O-CG2 3.4Å; L188-V192 PolarHBondContact O-N 3.29Å; V192-S194 PolarHBondContact O-N 3Å; V192-M195 PolarHBondContact O-N 2.89Å; V192-M195 VanDerWaalsContact O-N 3.14Å; V192-I196 HydrophobicContact CG1-CD1 3.58Å; V192-I196 HydrophobicContact CG1-CG1 4.27Å; V192-I196 WeakPolarHBondContact O-CG1 3.43Å; V192-I196 PolarHBondContact O-N 3.47Å; V192-L223 HydrophobicContact CG1-CD1 4.21Å; V192-L223 HydrophobicContact CG1-CD2 4.44Å |
| 193 | A | 84.3 | Confident | 79.3 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.2 | -30 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L24 P189 V206 M222 | L24-A193 HydrophobicContact CD1-CB 3.91Å; P189-A193 WeakPolarHBondContact O-CB 3.45Å; P189-A193 PolarHBondContact O-N 3.18Å; A193-V206 HydrophobicContact CB-CG1 4.21Å; A193-V206 HydrophobicContact CB-CG2 4.33Å; A193-M222 HydrophobicContact CB-CE 4.49Å |
| 194 | S | 83.3 | Confident | 80.2 | Confident | 29 Ų | 29 | 53.9 Ų | 53.9 | 20% | 0.203 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.2 | -33.9 | 175.3 | 81.5 | 0 | 0 | 0 | 0 | 113.3 | S27 D190 V191 V192 K203 | S27-S194 VanDerWaalsContact CB-OG 3.3Å; S27-S194 WeakPolarHBondContact CB-OG 3.38Å; D190-S194 WeakPolarHBondContact O-CB 3.38Å; D190-S194 PolarHBondContact O-N 3.23Å; D190-S194 VanDerWaalsContact O-N 3.11Å; V191-S194 PolarHBondContact O-N 3.1Å; V191-S194 PolarHBondContact O-OG 3.41Å; V192-S194 PolarHBondContact O-N 3Å; S194-K203 PolarHBondContact O-NZ 3.42Å |
| 195 | M | 76.8 | Confident | 81.1 | Confident | 98 Ų | 98 | 54.7 Ų | 54.7 | 48% | 0.483 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -84.6 | -28.1 | -177.3 | -68 | -172.7 | -172.5 | 0 | 0 | 113.4 | F176 L179 V191 V192 | F176-M195 HydrophobicContact CD2-CE 3.92Å; F176-M195 HydrophobicContact CD2-SD 3.2Å; F176-M195 WeakPolarHBondContact CD2-SD 3.47Å; F176-M195 HydrophobicContact CE2-CE 4.28Å; F176-M195 HydrophobicContact CE2-SD 3.35Å; F176-M195 WeakPolarHBondContact CE2-SD 3.36Å; F176-M195 HydrophobicContact CG-SD 4.1Å; F176-M195 HydrophobicContact CZ-SD 4.34Å; L179-M195 HydrophobicContact CD1-CE 4.06Å; V191-M195 HydrophobicContact CG1-CE 3.8Å; V191-M195 PolarHBondContact O-N 3.43Å; V192-M195 PolarHBondContact O-N 2.89Å; V192-M195 VanDerWaalsContact O-N 3.14Å |
| 196 | I | 80 | Confident | 81.9 | Confident | 17 Ų | 17 | 47 Ų | 47 | 9% | 0.087 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -72.1 | 139.8 | 177.1 | -66.3 | 165.1 | 0 | 0 | 0 | 110.4 | V192 T198 L223 Q226 | V192-I196 HydrophobicContact CG1-CD1 3.58Å; V192-I196 HydrophobicContact CG1-CG1 4.27Å; V192-I196 WeakPolarHBondContact O-CG1 3.43Å; V192-I196 PolarHBondContact O-N 3.47Å; I196-T198 HydrophobicContact CB-CG2 4.49Å; I196-T198 HydrophobicContact CG2-CG2 3.65Å; I196-T198 PolarHBondContact O-N 3.33Å; I196-T198 VanDerWaalsContact O-N 3.11Å; I196-L223 HydrophobicContact CD1-CB 3.96Å; I196-L223 HydrophobicContact CD1-CD1 3.8Å; I196-L223 HydrophobicContact CD1-CG 4.48Å; I196-Q226 HydrophobicContact CG2-CG 3.41Å; I196-Q226 VanDerWaalsContact CG2-CG 3.41Å |
| 197 | R | 73.4 | Confident | 82.6 | Confident | 226 Ų | 226 | 44.7 Ų | 44.7 | 85% | 0.853 | 22% | 0.215 | S | C | * | . | trans | -71.8 | 99.8 | 169.2 | -69.4 | -172.7 | 179.6 | -173.6 | -0.1 | 110 | Q226 | R197-Q226 PolarHBondContact O-NE2 2.82Š| ||
| 198 | T | 79.3 | Confident | 83.2 | Confident | 23 Ų | 23 | 46.3 Ų | 46.3 | 14% | 0.141 | 22% | 0.222 | C | C | . | . | trans | -135.3 | 164.1 | 177 | 48 | 0 | 0 | 0 | 0 | 111 | I196 E202 K203 M222 | I196-T198 HydrophobicContact CB-CG2 4.49Å; I196-T198 HydrophobicContact CG2-CG2 3.65Å; I196-T198 PolarHBondContact O-N 3.33Å; I196-T198 VanDerWaalsContact O-N 3.11Å; T198-E202 WeakPolarHBondContact CB-OE2 3.48Å; T198-K203 WeakPolarHBondContact OG1-CE 3.5Å; T198-M222 VanDerWaalsContact CB-CE 3.4Å; T198-M222 HydrophobicContact CG2-CB 3.93Å; T198-M222 HydrophobicContact CG2-CE 3.24Å; T198-M222 HydrophobicContact CG2-CG 4.14Å; T198-M222 WeakPolarHBondContact OG1-CE 3.4Å | ||
| 199 | S | 84.4 | Confident | 83.5 | Confident | 56 Ų | 56 | 46.4 Ų | 46.4 | 39% | 0.392 | 22% | 0.224 | S | C | . | . | trans | -70.1 | 152.3 | 178.9 | 66.7 | 0 | 0 | 0 | 0 | 111.7 | K201 E202 K203 | S199-K201 PolarHBondContact O-N 3.37Å; S199-E202 PolarHBondContact N-OE2 2.93Å; S199-E202 PolarHBondContact O-N 3.45Å; S199-E202 VanDerWaalsContact O-N 3.09Å; S199-E202 VanDerWaalsContact OG-CD 3.32Å; S199-E202 VanDerWaalsContact OG-CG 3.25Å; S199-E202 WeakPolarHBondContact OG-CG 3.46Å; S199-E202 PolarHBondContact OG-N 2.94Å; S199-E202 PolarHBondContact OG-OE2 2.81Å; S199-K203 PolarHBondContact O-N 3.34Å; S199-K203 VanDerWaalsContact O-N 3.12Å | ||
| 200 | N | 82.1 | Confident | 83.3 | Confident | 81 Ų | 81 | 48.8 Ų | 48.8 | 43% | 0.433 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.1 | -32.3 | 176.6 | -72.5 | -15.9 | 0 | 0 | 0 | 112.2 | V22 K203 L204 | V22-N200 HydrophobicContact CG2-CB 4.48Å; N200-K203 PolarHBondContact O-N 2.91Å; N200-L204 WeakPolarHBondContact O-CB 3.39Å; N200-L204 PolarHBondContact O-N 3.39Å |
| 201 | K | 84.7 | Confident | 83.3 | Confident | 169 Ų | 169 | 56.6 Ų | 56.6 | 74% | 0.735 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -61.9 | -43.3 | 174.9 | -68.6 | -174.3 | 177.9 | -177.5 | 0 | 112.1 | S199 L204 Q205 | S199-K201 PolarHBondContact O-N 3.37Å; K201-L204 PolarHBondContact O-N 3.45Å; K201-Q205 WeakPolarHBondContact O-CG 3.39Å; K201-Q205 PolarHBondContact O-N 3.15Å |
| 202 | E | 85.1 | Confident | 83.2 | Confident | 40 Ų | 40 | 56.9 Ų | 56.9 | 19% | 0.187 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.6 | -38.9 | 177.6 | -69.4 | 165.3 | 146.5 | 0 | 0 | 111.4 | T198 S199 L204 Q205 V206 M222 R225 | T198-E202 WeakPolarHBondContact CB-OE2 3.48Å; S199-E202 PolarHBondContact N-OE2 2.93Å; S199-E202 PolarHBondContact O-N 3.45Å; S199-E202 VanDerWaalsContact O-N 3.09Å; S199-E202 VanDerWaalsContact OG-CD 3.32Å; S199-E202 VanDerWaalsContact OG-CG 3.25Å; S199-E202 WeakPolarHBondContact OG-CG 3.46Å; S199-E202 PolarHBondContact OG-N 2.94Å; S199-E202 PolarHBondContact OG-OE2 2.81Å; E202-L204 VanDerWaalsContact C-N 3.32Å; E202-L204 PolarHBondContact O-N 2.69Å; E202-Q205 WeakPolarHBondContact O-CB 3.47Å; E202-Q205 PolarHBondContact O-N 3.18Å; E202-V206 PolarHBondContact O-N 2.93Å; E202-M222 HydrophobicContact CB-CE 3.77Å; E202-M222 HydrophobicContact CB-SD 4.26Å; E202-R225 VanDerWaalsContact CD-NH2 3.34Å; E202-R225 IonicContact OE1-CZ 3.42Å; E202-R225 VanDerWaalsContact OE1-CZ 3.29Å; E202-R225 IonicContact OE1-NH1 3.47Å; E202-R225 PolarHBondContact OE1-NH1 2.72Å; E202-R225 IonicContact OE1-NH2 2.8Å; E202-R225 PolarHBondContact OE1-NH2 3.27Å; E202-R225 IonicContact OE2-NH2 3.65Å; E202-R225 PolarHBondContact OE2-NH2 3.37Å |
| 203 | K | 86.7 | Confident | 83.2 | Confident | 36 Ų | 36 | 59 Ų | 59 | 16% | 0.157 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65 | -36.2 | 175 | -67 | -175 | 177.1 | -172.3 | 0 | 112.4 | V22 S194 T198 S199 N200 Q205 V206 L207 | V22-K203 HydrophobicContact CB-CB 3.91Å; V22-K203 HydrophobicContact CG1-CB 4.28Å; V22-K203 HydrophobicContact CG2-CB 4.03Å; S194-K203 PolarHBondContact O-NZ 3.42Å; T198-K203 WeakPolarHBondContact OG1-CE 3.5Å; S199-K203 PolarHBondContact O-N 3.34Å; S199-K203 VanDerWaalsContact O-N 3.12Å; N200-K203 PolarHBondContact O-N 2.91Å; K203-Q205 VanDerWaalsContact C-N 3.35Å; K203-V206 PolarHBondContact O-N 2.96Å; K203-L207 PolarHBondContact O-N 3.45Å |
| 204 | L | 87.3 | Confident | 83.2 | Confident | 24 Ų | 24 | 63 Ų | 63 | 13% | 0.126 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 175.1 | -168 | 65.9 | 0 | 0 | 0 | 111.4 | P61 N62 N200 K201 E202 V206 L207 D208 | P61-L204 HydrophobicContact CB-CD1 4.04Å; P61-L204 HydrophobicContact CG-CD1 3.5Å; N62-L204 HydrophobicContact CB-CD2 4.37Å; N200-L204 WeakPolarHBondContact O-CB 3.39Å; N200-L204 PolarHBondContact O-N 3.39Å; K201-L204 PolarHBondContact O-N 3.45Å; E202-L204 VanDerWaalsContact C-N 3.32Å; E202-L204 PolarHBondContact O-N 2.69Å; L204-V206 PolarHBondContact O-N 2.79Å; L204-L207 HydrophobicContact CD1-CD2 4.34Å; L204-L207 WeakPolarHBondContact O-CA 3.09Å; L204-L207 WeakPolarHBondContact O-CB 3.33Å; L204-L207 PolarHBondContact O-N 3.14Å; L204-D208 VanDerWaalsContact O-CG 3.31Å; L204-D208 PolarHBondContact O-N 2.85Å |
| 205 | Q | 88.3 | Confident | 83.3 | Confident | 90 Ų | 90 | 62.3 Ų | 62.3 | 42% | 0.421 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.8 | -32.2 | 174.9 | -67.7 | 177.5 | 11.7 | 0 | 0 | 113.3 | K201 E202 K203 A209 K218 | K201-Q205 WeakPolarHBondContact O-CG 3.39Å; K201-Q205 PolarHBondContact O-N 3.15Å; E202-Q205 WeakPolarHBondContact O-CB 3.47Å; E202-Q205 PolarHBondContact O-N 3.18Å; K203-Q205 VanDerWaalsContact C-N 3.35Å; Q205-A209 PolarHBondContact O-N 3.15Å; Q205-K218 HydrophobicContact CB-CD 4.41Å |
| 206 | V | 87.4 | Confident | 83.7 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -74.3 | -33.2 | 174.3 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | L24 R107 A193 E202 K203 L204 K218 M222 | L24-V206 HydrophobicContact CD1-CG1 4.37Å; L24-V206 HydrophobicContact CD2-CB 4.47Å; L24-V206 HydrophobicContact CD2-CG1 4.27Å; R107-V206 PolarHBondContact NH2-O 3.31Å; A193-V206 HydrophobicContact CB-CG1 4.21Å; A193-V206 HydrophobicContact CB-CG2 4.33Å; E202-V206 PolarHBondContact O-N 2.93Å; K203-V206 PolarHBondContact O-N 2.96Å; L204-V206 PolarHBondContact O-N 2.79Å; V206-K218 HydrophobicContact CG2-CB 4.13Å; V206-M222 HydrophobicContact CG2-SD 3.9Å |
| 207 | L | 87.5 | Confident | 84 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 174.2 | -176 | 66.2 | 0 | 0 | 0 | 111.5 | V22 L24 P61 I79 T81 R107 K203 L204 A209 | V22-L207 HydrophobicContact CG1-CB 4.23Å; V22-L207 HydrophobicContact CG1-CD2 4.03Å; L24-L207 HydrophobicContact CD2-CB 3.92Å; L24-L207 HydrophobicContact CD2-CD1 4.19Å; P61-L207 HydrophobicContact CG-CD2 3.66Å; I79-L207 HydrophobicContact CG2-CG 4.14Å; T81-L207 WeakPolarHBondContact OG1-CD1 3.35Å; R107-L207 WeakPolarHBondContact CD-O 3.48Å; R107-L207 HydrophobicContact CG-CD1 3.93Å; R107-L207 PolarHBondContact NE-O 3.07Å; K203-L207 PolarHBondContact O-N 3.45Å; L204-L207 HydrophobicContact CD1-CD2 4.34Å; L204-L207 WeakPolarHBondContact O-CA 3.09Å; L204-L207 WeakPolarHBondContact O-CB 3.33Å; L204-L207 PolarHBondContact O-N 3.14Å; L207-A209 VanDerWaalsContact C-N 3.27Å; L207-A209 PolarHBondContact O-N 3.39Å |
| 208 | D | 86.9 | Confident | 84.7 | Confident | 63 Ų | 63 | 56.1 Ų | 56.1 | 34% | 0.337 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.8 | -24.9 | -179.1 | -68.1 | -22.7 | 0 | 0 | 0 | 113.6 | H77 L204 V210 | H77-D208 IonicContact CE1-OD1 3.23Å; H77-D208 PolarHBondContact CE1-OD1 3.32Å; H77-D208 IonicContact NE2-OD1 3.54Å; H77-D208 PolarHBondContact NE2-OD1 2.9Å; H77-D208 IonicContact NE2-OD2 3.78Å; L204-D208 VanDerWaalsContact O-CG 3.31Å; L204-D208 PolarHBondContact O-N 2.85Å; D208-V210 PolarHBondContact O-N 3.35Å |
| 209 | A | 86.3 | Confident | 85 | Confident | 5 Ų | 5 | 55.1 Ų | 55.1 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | trans | -70.9 | 91.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q205 L207 E214 R215 | Q205-A209 PolarHBondContact O-N 3.15Å; L207-A209 VanDerWaalsContact C-N 3.27Å; L207-A209 PolarHBondContact O-N 3.39Å; A209-E214 HydrophobicContact CB-CB 3.93Å; A209-R215 HydrophobicContact CB-CG 3.81Å; A209-R215 WeakPolarHBondContact O-CG 3.31Å; A209-R215 PolarHBondContact O-NE 3.23Å | ||
| 210 | V | 79.4 | Confident | 85.1 | Confident | 50 Ų | 50 | 53.9 Ų | 53.9 | 30% | 0.303 | 25% | 0.245 | S | C | . | . | trans | -70.8 | -39.3 | 177.9 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | I79 L127 D208 R215 | I79-V210 HydrophobicContact CD1-CG2 4.17Å; L127-V210 HydrophobicContact CB-CG1 4.24Å; L127-V210 HydrophobicContact CD1-CG2 3.94Å; D208-V210 PolarHBondContact O-N 3.35Å; V210-R215 PolarHBondContact O-NE 3.22Å; V210-R215 PolarHBondContact O-NH2 3Å | ||
| 211 | R | 82.3 | Confident | 85.4 | Confident | 170 Ų | 170 | 53.8 Ų | 53.8 | 64% | 0.642 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -76.3 | 137.4 | 179.1 | -70.4 | -177.8 | 173.7 | 168.6 | -4.7 | 111.7 | E213 E214 R215 | R211-E213 VanDerWaalsContact C-N 3.34Å; R211-E213 PolarHBondContact O-N 3.2Å; R211-E214 HydrophobicContact CB-CB 4.44Å; R211-E214 HydrophobicContact CB-CG 4.2Å; R211-E214 PolarHBondContact O-N 3.07Å; R211-E214 VanDerWaalsContact O-N 3.16Å; R211-R215 WeakPolarHBondContact O-CG 3.33Å; R211-R215 PolarHBondContact O-N 3.01Å; R211-R215 VanDerWaalsContact O-N 3.17Å |
| 212 | L | 80.1 | Confident | 85.4 | Confident | 13 Ų | 13 | 46.2 Ų | 46.2 | 7% | 0.068 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -40.5 | -176.3 | -174.2 | 61.2 | 0 | 0 | 0 | 112.8 | L148 E186 E214 R215 F216 | L148-L212 HydrophobicContact CD1-CB 4.36Å; L148-L212 HydrophobicContact CD1-CD2 4.1Å; L148-L212 HydrophobicContact CD1-CG 3.97Å; L148-L212 HydrophobicContact CD2-CD2 4.17Å; E186-L212 HydrophobicContact CB-CD1 4.16Å; E186-L212 HydrophobicContact CB-CD2 3.89Å; E186-L212 HydrophobicContact CG-CD2 3.76Å; E186-L212 VanDerWaalsContact O-CD1 3.28Å; E186-L212 WeakPolarHBondContact O-CD1 3.44Å; L212-E214 VanDerWaalsContact C-N 3.32Å; L212-E214 PolarHBondContact O-N 3.35Å; L212-R215 WeakPolarHBondContact O-CB 3.34Å; L212-R215 PolarHBondContact O-N 3.06Å; L212-F216 HydrophobicContact CD1-CD2 4.16Å; L212-F216 HydrophobicContact CD1-CE2 3.77Å; L212-F216 HydrophobicContact CD2-CE2 4.24Å; L212-F216 HydrophobicContact CG-CD2 4.02Å; L212-F216 HydrophobicContact CG-CE2 3.78Å; L212-F216 WeakPolarHBondContact O-CD2 3.2Å; L212-F216 PolarHBondContact O-N 2.83Å; L212-F216 VanDerWaalsContact O-N 3.12Å |
| 213 | E | 81.7 | Confident | 85.4 | Confident | 47 Ų | 47 | 44.4 Ų | 44.4 | 22% | 0.22 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.1 | -44.5 | 175.3 | -68.8 | 176 | -161.4 | 0 | 0 | 112.7 | L148 R211 R215 F216 R217 | L148-E213 HydrophobicContact CB-CG 4.01Å; L148-E213 HydrophobicContact CD1-CB 4.44Å; L148-E213 HydrophobicContact CD1-CG 3.75Å; L148-E213 HydrophobicContact CG-CG 4.31Å; R211-E213 VanDerWaalsContact C-N 3.34Å; R211-E213 PolarHBondContact O-N 3.2Å; E213-R215 VanDerWaalsContact C-N 3.3Å; E213-R215 PolarHBondContact O-N 3.5Å; E213-F216 PolarHBondContact O-N 2.87Å; E213-R217 WeakPolarHBondContact O-CG 3.36Å; E213-R217 PolarHBondContact O-N 2.86Å; E213-R217 IonicContact OE2-NH1 3.89Å; E213-R217 IonicContact OE2-NH2 2.89Å |
| 214 | E | 83.6 | Confident | 85.3 | Confident | 84 Ų | 84 | 45.3 Ų | 45.3 | 39% | 0.393 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.3 | -36.1 | 179.8 | -66.9 | -177.6 | 174.6 | 0 | 0 | 111 | A209 R211 L212 R217 K218 | A209-E214 HydrophobicContact CB-CB 3.93Å; R211-E214 HydrophobicContact CB-CB 4.44Å; R211-E214 HydrophobicContact CB-CG 4.2Å; R211-E214 PolarHBondContact O-N 3.07Å; R211-E214 VanDerWaalsContact O-N 3.16Å; L212-E214 VanDerWaalsContact C-N 3.32Å; L212-E214 PolarHBondContact O-N 3.35Å; E214-R217 PolarHBondContact O-N 3.38Å; E214-K218 WeakPolarHBondContact O-CB 3.28Å; E214-K218 VanDerWaalsContact O-CG 3.25Å; E214-K218 WeakPolarHBondContact O-CG 3.22Å; E214-K218 PolarHBondContact O-N 3.47Å |
| 215 | R | 86.4 | Confident | 85.3 | Confident | 15 Ų | 15 | 49.8 Ų | 49.8 | 6% | 0.057 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.1 | -47.5 | 174 | -62.3 | 177.3 | -163 | -177.8 | 5.6 | 111.1 | R107 D128 P189 D190 A209 V210 R211 L212 E213 K218 A219 | R107-R215 VanDerWaalsContact CZ-CZ 3.48Å; D128-R215 IonicContact OD1-CZ 3.95Å; D128-R215 IonicContact OD1-NH1 3.23Å; D128-R215 IonicContact OD1-NH2 2.84Å; D128-R215 PolarHBondContact OD1-NH2 3.46Å; P189-R215 HydrophobicContact CB-CB 3.95Å; P189-R215 HydrophobicContact CG-CB 4.32Å; D190-R215 IonicContact OD2-NH1 2.75Å; D190-R215 PolarHBondContact OD2-NH1 3.17Å; A209-R215 HydrophobicContact CB-CG 3.81Å; A209-R215 WeakPolarHBondContact O-CG 3.31Å; A209-R215 PolarHBondContact O-NE 3.23Å; V210-R215 PolarHBondContact O-NE 3.22Å; V210-R215 PolarHBondContact O-NH2 3Å; R211-R215 WeakPolarHBondContact O-CG 3.33Å; R211-R215 PolarHBondContact O-N 3.01Å; R211-R215 VanDerWaalsContact O-N 3.17Å; L212-R215 WeakPolarHBondContact O-CB 3.34Å; L212-R215 PolarHBondContact O-N 3.06Å; E213-R215 VanDerWaalsContact C-N 3.3Å; E213-R215 PolarHBondContact O-N 3.5Å; R215-K218 PolarHBondContact O-N 2.95Å; R215-A219 VanDerWaalsContact O-CB 3.24Å; R215-A219 WeakPolarHBondContact O-CB 3.5Å; R215-A219 PolarHBondContact O-N 3.22Å |
| 216 | F | 84.4 | Confident | 85 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.009 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.2 | -45.3 | 176.2 | -80.7 | -72.8 | 0 | 0 | 0 | 112 | L148 L151 F155 R185 P189 L212 E213 K218 A219 L220 | L148-F216 HydrophobicContact CD1-CD2 3.96Å; L148-F216 HydrophobicContact CD1-CE2 4.24Å; L151-F216 HydrophobicContact CB-CB 4.19Å; F155-F216 HydrophobicContact CB-CD1 3.57Å; F155-F216 HydrophobicContact CB-CE1 3.71Å; F155-F216 HydrophobicContact CD1-CD1 4.1Å; F155-F216 AromaticContact CD1-CE1 3.76Å; F155-F216 HydrophobicContact CD1-CE1 3.76Å; F155-F216 HydrophobicContact CD2-CD1 4.05Å; F155-F216 AromaticContact CG-CD1 3.64Å; F155-F216 HydrophobicContact CG-CD1 3.64Å; F155-F216 AromaticContact CG-CE1 3.75Å; F155-F216 HydrophobicContact CG-CE1 3.75Å; R185-F216 WeakPolarHBondContact O-CZ 3.49Å; P189-F216 HydrophobicContact CG-CD1 3.55Å; P189-F216 HydrophobicContact CG-CD2 3.91Å; P189-F216 HydrophobicContact CG-CE1 3.41Å; P189-F216 VanDerWaalsContact CG-CE1 3.41Å; P189-F216 HydrophobicContact CG-CE2 3.78Å; P189-F216 HydrophobicContact CG-CG 3.8Å; P189-F216 HydrophobicContact CG-CZ 3.53Å; L212-F216 HydrophobicContact CD1-CD2 4.16Å; L212-F216 HydrophobicContact CD1-CE2 3.77Å; L212-F216 HydrophobicContact CD2-CE2 4.24Å; L212-F216 HydrophobicContact CG-CD2 4.02Å; L212-F216 HydrophobicContact CG-CE2 3.78Å; L212-F216 WeakPolarHBondContact O-CD2 3.2Å; L212-F216 PolarHBondContact O-N 2.83Å; L212-F216 VanDerWaalsContact O-N 3.12Å; E213-F216 PolarHBondContact O-N 2.87Å; F216-K218 VanDerWaalsContact C-N 3.26Å; F216-K218 PolarHBondContact O-N 3.2Å; F216-A219 PolarHBondContact O-N 3.08Å; F216-L220 WeakPolarHBondContact O-CB 3.35Å; F216-L220 PolarHBondContact O-N 3.31Å |
| 217 | R | 87.1 | Confident | 84.8 | Confident | 115 Ų | 115 | 48.5 Ų | 48.5 | 43% | 0.434 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.5 | -33.9 | 177.5 | -74.3 | -175.6 | -176.1 | 129.8 | 0.7 | 112.5 | E147 L151 E213 E214 P221 | E147-R217 IonicContact OE2-NH2 2.6Å; E147-R217 PolarHBondContact OE2-NH2 3.16Å; L151-R217 HydrophobicContact CD1-CG 3.83Å; L151-R217 HydrophobicContact CD2-CG 4.46Å; E213-R217 WeakPolarHBondContact O-CG 3.36Å; E213-R217 PolarHBondContact O-N 2.86Å; E213-R217 IonicContact OE2-NH1 3.89Å; E213-R217 IonicContact OE2-NH2 2.89Å; E214-R217 PolarHBondContact O-N 3.38Å; R217-P221 WeakPolarHBondContact O-CD 3.42Å; R217-P221 WeakPolarHBondContact O-CG 3.45Å |
| 218 | K | 87.1 | Confident | 84.7 | Confident | 95 Ų | 95 | 53.7 Ų | 53.7 | 41% | 0.413 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -81.2 | -39.9 | 177.2 | -67.8 | -67.4 | -173.7 | 176.4 | 0 | 113.3 | Q205 V206 E214 R215 F216 | Q205-K218 HydrophobicContact CB-CD 4.41Å; V206-K218 HydrophobicContact CG2-CB 4.13Å; E214-K218 WeakPolarHBondContact O-CB 3.28Å; E214-K218 VanDerWaalsContact O-CG 3.25Å; E214-K218 WeakPolarHBondContact O-CG 3.22Å; E214-K218 PolarHBondContact O-N 3.47Å; R215-K218 PolarHBondContact O-N 2.95Å; F216-K218 VanDerWaalsContact C-N 3.26Å; F216-K218 PolarHBondContact O-N 3.2Å |
| 219 | A | 87.1 | Confident | 84.4 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -78 | -32.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F155 P189 R215 F216 M222 L223 | F155-A219 HydrophobicContact CE2-CB 3.6Å; F155-A219 HydrophobicContact CZ-CB 4.08Å; P189-A219 HydrophobicContact CB-CB 4.05Å; R215-A219 VanDerWaalsContact O-CB 3.24Å; R215-A219 WeakPolarHBondContact O-CB 3.5Å; R215-A219 PolarHBondContact O-N 3.22Å; F216-A219 PolarHBondContact O-N 3.08Å; A219-M222 WeakPolarHBondContact O-CB 3.08Å; A219-M222 PolarHBondContact O-N 3.06Å; A219-L223 PolarHBondContact O-N 3.22Å; A219-L223 VanDerWaalsContact O-N 3.17Å |
| 220 | L | 86.6 | Confident | 84 | Confident | 31 Ų | 31 | 53.8 Ų | 53.8 | 16% | 0.162 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.4 | -47.2 | -176.2 | -175 | 71.4 | 0 | 0 | 0 | 113.2 | L151 F155 A158 F216 M222 L223 T224 | L151-L220 HydrophobicContact CD2-CD2 4.46Å; F155-L220 HydrophobicContact CB-CD1 4.04Å; F155-L220 HydrophobicContact CD2-CB 4.03Å; F155-L220 HydrophobicContact CD2-CD1 3.81Å; F155-L220 HydrophobicContact CG-CD1 4.38Å; A158-L220 HydrophobicContact CB-CD1 4.28Å; F216-L220 WeakPolarHBondContact O-CB 3.35Å; F216-L220 PolarHBondContact O-N 3.31Å; L220-M222 VanDerWaalsContact C-N 3.28Å; L220-M222 PolarHBondContact O-N 3.14Å; L220-L223 WeakPolarHBondContact O-CB 3.18Å; L220-L223 PolarHBondContact O-N 2.93Å; L220-T224 PolarHBondContact O-N 3.22Å; L220-T224 PolarHBondContact O-OG1 3.41Å; L220-T224 VanDerWaalsContact O-OG1 3.06Å |
| 221 | P | 86.8 | Confident | 84 | Confident | 79 Ų | 79 | 55.4 Ų | 55.4 | 51% | 0.513 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.6 | -35.6 | 176.1 | -23.7 | 34.3 | 0 | 0 | 0 | 113.4 | R217 L223 T224 R225 | R217-P221 WeakPolarHBondContact O-CD 3.42Å; R217-P221 WeakPolarHBondContact O-CG 3.45Å; P221-L223 VanDerWaalsContact C-N 3.3Å; P221-L223 PolarHBondContact O-N 2.98Å; P221-T224 PolarHBondContact O-N 3.23Å; P221-R225 WeakPolarHBondContact O-CB 3.29Å; P221-R225 PolarHBondContact O-N 2.97Å |
| 222 | M | 86.4 | Confident | 83.9 | Confident | 9 Ų | 9 | 52.7 Ų | 52.7 | 4% | 0.044 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 178.3 | -60 | 166 | 72 | 0 | 0 | 110.9 | A193 T198 E202 V206 A219 L220 | A193-M222 HydrophobicContact CB-CE 4.49Å; T198-M222 VanDerWaalsContact CB-CE 3.4Å; T198-M222 HydrophobicContact CG2-CB 3.93Å; T198-M222 HydrophobicContact CG2-CE 3.24Å; T198-M222 HydrophobicContact CG2-CG 4.14Å; T198-M222 WeakPolarHBondContact OG1-CE 3.4Å; E202-M222 HydrophobicContact CB-CE 3.77Å; E202-M222 HydrophobicContact CB-SD 4.26Å; V206-M222 HydrophobicContact CG2-SD 3.9Å; A219-M222 WeakPolarHBondContact O-CB 3.08Å; A219-M222 PolarHBondContact O-N 3.06Å; L220-M222 VanDerWaalsContact C-N 3.28Å; L220-M222 PolarHBondContact O-N 3.14Å |
| 223 | L | 83.9 | Confident | 83.6 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.2 | -45.9 | 176.7 | 179.1 | 61.4 | 0 | 0 | 0 | 111.9 | F155 A158 A159 L162 V192 I196 A219 L220 P221 R225 Q226 I227 | F155-L223 HydrophobicContact CD2-CD2 4.08Å; F155-L223 HydrophobicContact CE2-CB 4.48Å; F155-L223 HydrophobicContact CE2-CD2 3.86Å; F155-L223 HydrophobicContact CG-CD2 4.48Å; F155-L223 HydrophobicContact CZ-CD2 4.11Å; A158-L223 HydrophobicContact CB-CD2 3.56Å; A158-L223 HydrophobicContact CB-CG 4.01Å; A159-L223 HydrophobicContact CB-CD2 4.17Å; L162-L223 HydrophobicContact CB-CD1 4.18Å; L162-L223 HydrophobicContact CD1-CD1 3.56Å; L162-L223 HydrophobicContact CG-CD1 4.43Å; V192-L223 HydrophobicContact CG1-CD1 4.21Å; V192-L223 HydrophobicContact CG1-CD2 4.44Å; I196-L223 HydrophobicContact CD1-CB 3.96Å; I196-L223 HydrophobicContact CD1-CD1 3.8Å; I196-L223 HydrophobicContact CD1-CG 4.48Å; A219-L223 PolarHBondContact O-N 3.22Å; A219-L223 VanDerWaalsContact O-N 3.17Å; L220-L223 WeakPolarHBondContact O-CB 3.18Å; L220-L223 PolarHBondContact O-N 2.93Å; P221-L223 VanDerWaalsContact C-N 3.3Å; P221-L223 PolarHBondContact O-N 2.98Å; L223-R225 VanDerWaalsContact C-N 3.34Å; L223-R225 PolarHBondContact O-N 3.36Å; L223-Q226 PolarHBondContact O-N 2.94Å; L223-Q226 VanDerWaalsContact O-N 3.16Å; L223-I227 HydrophobicContact CG-CD1 4.31Å; L223-I227 WeakPolarHBondContact O-CG1 3.29Å; L223-I227 PolarHBondContact O-N 3.43Å; L223-I227 VanDerWaalsContact O-N 3.14Å |
| 224 | T | 85.3 | Confident | 83 | Confident | 56 Ų | 56 | 59.2 Ų | 59.2 | 34% | 0.344 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 177.7 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | L220 P221 Q226 I227 E228 | L220-T224 PolarHBondContact O-N 3.22Å; L220-T224 PolarHBondContact O-OG1 3.41Å; L220-T224 VanDerWaalsContact O-OG1 3.06Å; P221-T224 PolarHBondContact O-N 3.23Å; T224-Q226 VanDerWaalsContact C-N 3.26Å; T224-Q226 PolarHBondContact O-N 3.26Å; T224-I227 WeakPolarHBondContact O-CB 3.29Å; T224-I227 PolarHBondContact O-N 2.86Å; T224-I227 VanDerWaalsContact O-N 3.12Å; T224-E228 PolarHBondContact O-N 2.94Å |
| 225 | R | 87.1 | Confident | 82 | Confident | 117 Ų | 117 | 62.2 Ų | 62.2 | 44% | 0.442 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.2 | -37.3 | 177 | -173.4 | 173.9 | 69.2 | -164.6 | -2.1 | 112.5 | E202 P221 L223 G229 | E202-R225 VanDerWaalsContact CD-NH2 3.34Å; E202-R225 IonicContact OE1-CZ 3.42Å; E202-R225 VanDerWaalsContact OE1-CZ 3.29Å; E202-R225 IonicContact OE1-NH1 3.47Å; E202-R225 PolarHBondContact OE1-NH1 2.72Å; E202-R225 IonicContact OE1-NH2 2.8Å; E202-R225 PolarHBondContact OE1-NH2 3.27Å; E202-R225 IonicContact OE2-NH2 3.65Å; E202-R225 PolarHBondContact OE2-NH2 3.37Å; P221-R225 WeakPolarHBondContact O-CB 3.29Å; P221-R225 PolarHBondContact O-N 2.97Å; L223-R225 VanDerWaalsContact C-N 3.34Å; L223-R225 PolarHBondContact O-N 3.36Å; R225-G229 PolarHBondContact O-N 3.1Å; R225-G229 VanDerWaalsContact O-N 3.08Å |
| 226 | Q | 82.8 | Confident | 80.6 | Confident | 59 Ų | 59 | 66.5 Ų | 66.5 | 28% | 0.276 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.9 | -40.4 | 176.3 | -70.4 | -62.4 | -18.8 | 0 | 0 | 112.7 | L162 I196 R197 L223 T224 E228 G229 L230 | L162-Q226 HydrophobicContact CD1-CB 3.98Å; I196-Q226 HydrophobicContact CG2-CG 3.41Å; I196-Q226 VanDerWaalsContact CG2-CG 3.41Å; R197-Q226 PolarHBondContact O-NE2 2.82Å; L223-Q226 PolarHBondContact O-N 2.94Å; L223-Q226 VanDerWaalsContact O-N 3.16Å; T224-Q226 VanDerWaalsContact C-N 3.26Å; T224-Q226 PolarHBondContact O-N 3.26Å; Q226-E228 VanDerWaalsContact C-N 3.28Å; Q226-E228 PolarHBondContact O-N 3.38Å; Q226-G229 PolarHBondContact O-N 3.06Å; Q226-L230 WeakPolarHBondContact O-CG 3.45Å; Q226-L230 PolarHBondContact O-N 2.97Å |
| 227 | I | 83 | Confident | 79.1 | Confident | 4 Ų | 4 | 77 Ų | 77 | 2% | 0.021 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 176.2 | -65.8 | 168.7 | 0 | 0 | 0 | 110 | A158 Q161 L162 M165 L223 T224 L230 K231 | A158-I227 HydrophobicContact CB-CD1 3.96Å; A158-I227 VanDerWaalsContact O-CD1 3.27Å; A158-I227 WeakPolarHBondContact O-CD1 3.44Å; Q161-I227 HydrophobicContact CG-CG2 4.39Å; L162-I227 HydrophobicContact CB-CD1 4.28Å; L162-I227 HydrophobicContact CB-CG1 3.9Å; L162-I227 HydrophobicContact CD1-CG1 4.17Å; L162-I227 HydrophobicContact CG-CG1 4.43Å; M165-I227 HydrophobicContact CE-CG2 4.19Å; M165-I227 HydrophobicContact SD-CG2 4.01Å; L223-I227 HydrophobicContact CG-CD1 4.31Å; L223-I227 WeakPolarHBondContact O-CG1 3.29Å; L223-I227 PolarHBondContact O-N 3.43Å; L223-I227 VanDerWaalsContact O-N 3.14Å; T224-I227 WeakPolarHBondContact O-CB 3.29Å; T224-I227 PolarHBondContact O-N 2.86Å; T224-I227 VanDerWaalsContact O-N 3.12Å; I227-L230 PolarHBondContact O-N 3.42Å; I227-K231 HydrophobicContact CG2-CD 4.23Å; I227-K231 VanDerWaalsContact O-CG 3.31Å; I227-K231 WeakPolarHBondContact O-CG 3.36Å; I227-K231 PolarHBondContact O-N 3.38Å |
| 228 | E | 84.1 | Confident | 77.2 | Confident | 110 Ų | 110 | 79.4 Ų | 79.4 | 51% | 0.514 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 176.3 | -71.5 | 176.8 | 177.2 | 0 | 0 | 112.5 | T224 Q226 L230 K231 L232 | T224-E228 PolarHBondContact O-N 2.94Å; Q226-E228 VanDerWaalsContact C-N 3.28Å; Q226-E228 PolarHBondContact O-N 3.38Å; E228-L230 VanDerWaalsContact C-N 3.34Å; E228-L230 PolarHBondContact O-N 3.19Å; E228-K231 PolarHBondContact O-N 3.25Å; E228-L232 WeakPolarHBondContact O-CG 3.15Å; E228-L232 PolarHBondContact O-N 2.97Å |
| 229 | G | 81.3 | Confident | 74.9 | Confident | 28 Ų | 28 | 83 Ų | 83 | 29% | 0.289 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -58.5 | -43.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | R225 Q226 L232 L233 | R225-G229 PolarHBondContact O-N 3.1Å; R225-G229 VanDerWaalsContact O-N 3.08Å; Q226-G229 PolarHBondContact O-N 3.06Å; G229-L232 PolarHBondContact O-N 3.17Å; G229-L233 WeakPolarHBondContact O-CG 3.41Å; G229-L233 PolarHBondContact O-N 2.9Å |
| 230 | L | 77.1 | Confident | 72.8 | Confident | 43 Ų | 43 | 87.9 Ų | 87.9 | 23% | 0.225 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 175.6 | -73 | 172.4 | 0 | 0 | 0 | 112.4 | L162 L166 Q226 I227 E228 L232 L233 Q234 | L162-L230 HydrophobicContact CG-CD1 4.36Å; L166-L230 HydrophobicContact CD2-CD1 4.27Å; Q226-L230 WeakPolarHBondContact O-CG 3.45Å; Q226-L230 PolarHBondContact O-N 2.97Å; I227-L230 PolarHBondContact O-N 3.42Å; E228-L230 VanDerWaalsContact C-N 3.34Å; E228-L230 PolarHBondContact O-N 3.19Å; L230-L232 VanDerWaalsContact C-N 3.34Å; L230-L232 PolarHBondContact O-N 3.23Å; L230-L233 HydrophobicContact CD2-CD1 4.48Å; L230-L233 PolarHBondContact O-N 3.23Å; L230-Q234 WeakPolarHBondContact O-CG 3.04Å; L230-Q234 PolarHBondContact O-N 3.09Å |
| 231 | K | 80.9 | Confident | 70.7 | Confident | 83 Ų | 83 | 91.4 Ų | 91.4 | 36% | 0.361 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 174.4 | -76.6 | 173.5 | -176.6 | 171.5 | 0 | 112 | M165 I227 E228 Q234 K235 | M165-K231 HydrophobicContact CE-CD 4.3Å; M165-K231 HydrophobicContact CE-CG 3.97Å; M165-K231 HydrophobicContact SD-CG 4.08Å; I227-K231 HydrophobicContact CG2-CD 4.23Å; I227-K231 VanDerWaalsContact O-CG 3.31Å; I227-K231 WeakPolarHBondContact O-CG 3.36Å; I227-K231 PolarHBondContact O-N 3.38Å; E228-K231 PolarHBondContact O-N 3.25Å; K231-Q234 PolarHBondContact O-N 3.01Å; K231-K235 WeakPolarHBondContact O-CB 3.07Å; K231-K235 WeakPolarHBondContact O-CG 3.49Å; K231-K235 PolarHBondContact O-N 3.03Å |
| 232 | L | 79 | Confident | 68.3 | Low | 114 Ų | 114 | 95.4 Ų | 95.4 | 60% | 0.597 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.9 | -48.6 | 174.5 | -72.8 | 168.8 | 0 | 0 | 0 | 110.7 | E228 G229 L230 Q234 K235 T236 | E228-L232 WeakPolarHBondContact O-CG 3.15Å; E228-L232 PolarHBondContact O-N 2.97Å; G229-L232 PolarHBondContact O-N 3.17Å; L230-L232 VanDerWaalsContact C-N 3.34Å; L230-L232 PolarHBondContact O-N 3.23Å; L232-Q234 VanDerWaalsContact C-N 3.32Å; L232-Q234 PolarHBondContact O-N 3.44Å; L232-K235 PolarHBondContact O-N 3.44Å; L232-K235 VanDerWaalsContact O-N 3.12Å; L232-T236 PolarHBondContact O-N 3.18Å; L232-T236 PolarHBondContact O-OG1 2.93Å |
| 233 | L | 73.2 | Confident | 65.9 | Low | 118 Ų | 118 | 100.4 Ų | 100.4 | 62% | 0.618 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.1 | -41.9 | 176.1 | -73.4 | 166.4 | 0 | 0 | 0 | 112.5 | G229 L230 T236 R237 | G229-L233 WeakPolarHBondContact O-CG 3.41Å; G229-L233 PolarHBondContact O-N 2.9Å; L230-L233 HydrophobicContact CD2-CD1 4.48Å; L230-L233 PolarHBondContact O-N 3.23Å; L233-T236 PolarHBondContact O-N 3.48Å; L233-R237 WeakPolarHBondContact O-CB 3.47Å; L233-R237 PolarHBondContact O-N 2.83Å |
| 234 | Q | 69.2 | Low | 63.7 | Low | 78 Ų | 78 | 107.9 Ų | 107.9 | 36% | 0.364 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.2 | -36.5 | 175.7 | -74.4 | -173.2 | 1 | 0 | 0 | 113 | M165 L230 K231 L232 R237 K238 | M165-Q234 PolarHBondContact O-NE2 3.07Å; L230-Q234 WeakPolarHBondContact O-CG 3.04Å; L230-Q234 PolarHBondContact O-N 3.09Å; K231-Q234 PolarHBondContact O-N 3.01Å; L232-Q234 VanDerWaalsContact C-N 3.32Å; L232-Q234 PolarHBondContact O-N 3.44Å; Q234-R237 CarbonylContact O-C 3.58Å; Q234-R237 PolarHBondContact O-N 3.47Å; Q234-K238 WeakPolarHBondContact O-CB 3.33Å; Q234-K238 PolarHBondContact O-N 3.02Å |
| 235 | K | 63.5 | Low | 61.5 | Low | 148 Ų | 148 | 114.7 Ų | 114.7 | 64% | 0.643 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.8 | -43.2 | 174 | -82.5 | -176.9 | 177.1 | -176.9 | 0 | 111.3 | K231 L232 R237 K238 M239 | K231-K235 WeakPolarHBondContact O-CB 3.07Å; K231-K235 WeakPolarHBondContact O-CG 3.49Å; K231-K235 PolarHBondContact O-N 3.03Å; L232-K235 PolarHBondContact O-N 3.44Å; L232-K235 VanDerWaalsContact O-N 3.12Å; K235-R237 PolarHBondContact O-N 2.84Å; K235-K238 PolarHBondContact O-N 3.48Å; K235-M239 WeakPolarHBondContact O-CG 3.05Å; K235-M239 PolarHBondContact O-N 3.38Å |
| 236 | T | 57.1 | Low | 58.8 | Low | 105 Ų | 105 | 120.8 Ų | 120.8 | 64% | 0.644 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.7 | -34.5 | 174.1 | -38.5 | 0 | 0 | 0 | 0 | 111.5 | L232 L233 | L232-T236 PolarHBondContact O-N 3.18Å; L232-T236 PolarHBondContact O-OG1 2.93Å; L233-T236 PolarHBondContact O-N 3.48Å |
| 237 | R | 52.3 | Low | 56.4 | Low | 223 Ų | 223 | 124.4 Ų | 124.4 | 84% | 0.842 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -74.3 | -28.4 | 175.3 | -136.7 | 176 | -179.8 | -171.5 | -1.5 | 113.8 | L233 Q234 K235 | L233-R237 WeakPolarHBondContact O-CB 3.47Å; L233-R237 PolarHBondContact O-N 2.83Å; Q234-R237 CarbonylContact O-C 3.58Å; Q234-R237 PolarHBondContact O-N 3.47Å; K235-R237 PolarHBondContact O-N 2.84Å |
| 238 | K | 48 | Very low | 54.1 | Low | 164 Ų | 164 | 132.1 Ų | 132.1 | 71% | 0.713 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -88.3 | -18.9 | 177.5 | -80.2 | -174.4 | 176.1 | -177.5 | 0 | 114.1 | Q234 K235 S240 P241 | Q234-K238 WeakPolarHBondContact O-CB 3.33Å; Q234-K238 PolarHBondContact O-N 3.02Å; K235-K238 PolarHBondContact O-N 3.48Å; K238-S240 PolarHBondContact O-N 3.01Å; K238-P241 WeakPolarHBondContact O-CD 3.4Å |
| 239 | M | 39 | Very low | 51.6 | Low | 171 Ų | 171 | 131.6 Ų | 131.6 | 84% | 0.842 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -81.2 | 10.5 | 176.6 | -73 | -132.6 | -55.9 | 0 | 0 | 114.6 | K235 | K235-M239 WeakPolarHBondContact O-CG 3.05Å; K235-M239 PolarHBondContact O-N 3.38Å |
| 240 | S | 43.4 | Very low | 49.1 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -134.8 | 72.2 | 173.1 | -168.5 | 0 | 0 | 0 | 0 | 111.5 | K238 | K238-S240 PolarHBondContact O-N 3.01Š|
| 241 | P | 41.4 | Very low | 46.9 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -142.3 | 14.9 | 142.4 | 39.2 | -25.2 | 0 | 0 | 0 | 116.1 | K238 | K238-P241 WeakPolarHBondContact O-CD 3.4Š|
| 242 | D | 36.3 | Very low | 44.4 | Very low | 162 Ų | 162 | 151.2 Ų | 151.2 | 87% | 0.866 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -153.5 | 53.6 | -173.2 | -129 | 0.4 | 0 | 0 | 0 | 117.9 | ||
| 243 | S | 36.7 | Very low | 42 | Very low | 114 Ų | 114 | 149.9 Ų | 149.9 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -145.9 | 58.2 | 163.2 | 71.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 244 | D | 38 | Very low | 39.8 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | trans | -119.6 | 78.7 | 162.3 | -104.8 | -12.9 | 0 | 0 | 0 | 107.6 | ||||
| 245 | K | 38.2 | Very low | 38 | Very low | 199 Ų | 199 | 150.3 Ų | 150.3 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 158.7 | 126.8 | 145.8 | -86.7 | 159.3 | -175.1 | 176.7 | 0 | 111.9 | ||
| 246 | R | 30 | Very low | 36.5 | Very low | 245 Ų | 245 | 153.1 Ų | 153.1 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | 82.3 | 107 | -179.9 | -52.5 | 173.1 | -177.2 | 172.7 | 1 | 110.8 | ||||
| 247 | V | 33.3 | Very low | 35.5 | Very low | 135 Ų | 135 | 153.6 Ų | 153.6 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | -148.2 | 119.1 | 62.9 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 248 | L | 35.3 | Very low | 34.3 | Very low | 166 Ų | 166 | 146.6 Ų | 146.6 | 87% | 0.869 | 81% | 0.814 | S | S | * | * | trans | -76.8 | 145.5 | 152.8 | -102.6 | 123.7 | 0 | 0 | 0 | 108.4 | ||||
| 249 | S | 30.1 | Very low | 33.4 | Very low | 99 Ų | 99 | 150.4 Ų | 150.4 | 69% | 0.692 | 82% | 0.824 | S | S | * | * | trans | 98.3 | 138.9 | 159.1 | 79.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 250 | V | 30.3 | Very low | 33.1 | Very low | 120 Ų | 120 | 150.2 Ų | 150.2 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | 92.4 | 85.3 | 162.1 | -166.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 251 | R | 30.2 | Very low | 32.5 | Very low | 240 Ų | 240 | 152.7 Ų | 152.7 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | -177.5 | 132.2 | 94.6 | -111.7 | 156 | -175.4 | -171.9 | 0.2 | 112.8 | |||||
| 252 | K | 28.8 | Very low | 32.1 | Very low | 207 Ų | 207 | 154.4 Ų | 154.4 | 90% | 0.9 | 83% | 0.828 | S | S | * | * | trans | -68.2 | 154.6 | 169.7 | -73.2 | 170 | 166.6 | 178.3 | 0 | 110.8 | ||||
| 253 | G | 27.1 | Very low | 31.8 | Very low | 86 Ų | 86 | 153.7 Ų | 153.7 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | trans | 98.4 | 114.3 | 136.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 254 | G | 28.1 | Very low | 31.6 | Very low | 80 Ų | 80 | 155 Ų | 155 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | 172.4 | 75.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 255 | V | 32.3 | Very low | 31.5 | Very low | 124 Ų | 124 | 156.7 Ų | 156.7 | 75% | 0.752 | 83% | 0.825 | S | S | * | * | trans | -59.3 | 130.5 | 168.2 | 171.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 256 | F | 29.9 | Very low | 31.4 | Very low | 207 Ų | 207 | 154.7 Ų | 154.7 | 91% | 0.908 | 82% | 0.823 | S | S | * | * | trans | -151.6 | 142.5 | 139.8 | -88.6 | -72.2 | 0 | 0 | 0 | 110.9 | ||||
| 257 | P | 36.3 | Very low | 31.8 | Very low | 116 Ų | 116 | 149.3 Ų | 149.3 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | -104.3 | 160.7 | -158.7 | 39.1 | -31 | 0 | 0 | 0 | 113.8 | ||||
| 258 | G | 28.4 | Very low | 32.2 | Very low | 76 Ų | 76 | 152.7 Ų | 152.7 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | trans | 104 | 104.7 | 148 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 259 | R | 28.8 | Very low | 32.4 | Very low | 244 Ų | 244 | 147.9 Ų | 147.9 | 92% | 0.921 | 81% | 0.811 | S | S | * | * | -170.7 | 115.7 | 99.6 | -141.8 | 160.6 | 177.2 | 169.8 | -3.5 | 109.3 | |||||
| 260 | Q | 32.7 | Very low | 33.2 | Very low | 167 Ų | 167 | 150.8 Ų | 150.8 | 78% | 0.78 | 81% | 0.813 | S | S | * | * | trans | -54 | 137.2 | 161.4 | -115.8 | 109.6 | 3.9 | 0 | 0 | 109.5 | ||||
| 261 | L | 30.2 | Very low | 34 | Very low | 155 Ų | 155 | 149.5 Ų | 149.5 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -158.9 | 103 | 133.7 | -99.1 | 146.4 | 0 | 0 | 0 | 106.9 | ||||
| 262 | N | 32.3 | Very low | 35.1 | Very low | 142 Ų | 142 | 140.7 Ų | 140.7 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | -59.2 | 129.3 | 165 | -65.5 | -17.5 | 0 | 0 | 0 | 108.4 | ||||
| 263 | L | 30.8 | Very low | 36.7 | Very low | 147 Ų | 147 | 135.9 Ų | 135.9 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | -142.2 | 94.6 | 158.7 | -91.9 | 154.3 | 0 | 0 | 0 | 105.7 | ||||
| 264 | D | 31.7 | Very low | 38.8 | Very low | 140 Ų | 140 | 135.5 Ų | 135.5 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | trans | 52.6 | 105.1 | 146.3 | -49.9 | -29.6 | 0 | 0 | 0 | 118.8 | D266 | D264-D266 VanDerWaalsContact C-N 3.32Å; D264-D266 PolarHBondContact O-N 2.96Å | ||
| 265 | E | 35.9 | Very low | 41.2 | Very low | 196 Ų | 196 | 133.3 Ų | 133.3 | 92% | 0.916 | 72% | 0.716 | S | S | * | * | trans | -90.6 | 34.2 | 176.7 | -126.4 | 178.6 | -169.8 | 0 | 0 | 112.3 | ||||
| 266 | D | 36.4 | Very low | 43.6 | Very low | 156 Ų | 156 | 129 Ų | 129 | 83% | 0.834 | 69% | 0.694 | S | S | * | * | trans | -123.2 | 64.6 | -174.9 | -78.1 | -35.4 | 0 | 0 | 0 | 112.8 | D264 | D264-D266 VanDerWaalsContact C-N 3.32Å; D264-D266 PolarHBondContact O-N 2.96Å | ||
| 267 | D | 38.8 | Very low | 46.1 | Very low | 133 Ų | 133 | 120.5 Ų | 120.5 | 71% | 0.711 | 66% | 0.662 | S | S | * | * | trans | -149.8 | 19.8 | 164.2 | -144.8 | 16.5 | 0 | 0 | 0 | 116.2 | G269 | D267-G269 PolarHBondContact O-N 2.81Å; D267-G269 VanDerWaalsContact O-N 3.1Å | ||
| 268 | E | 42 | Very low | 48.5 | Very low | 205 Ų | 205 | 115.7 Ų | 115.7 | 96% | 0.958 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 20.5 | 176.6 | -73.4 | -164.8 | 152.9 | 0 | 0 | 114.2 | ||
| 269 | G | 40.2 | Very low | 51.3 | Low | 66 Ų | 66 | 115 Ų | 115 | 68% | 0.68 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | -30.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | D267 | D267-G269 PolarHBondContact O-N 2.81Å; D267-G269 VanDerWaalsContact O-N 3.1Å |
| 270 | E | 46.3 | Very low | 54.1 | Low | 159 Ų | 159 | 111.7 Ų | 111.7 | 74% | 0.743 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -99.4 | -29.4 | -172.8 | -78.7 | -169.8 | 154.2 | 0 | 0 | 114.3 | G272 D273 | E270-G272 VanDerWaalsContact C-N 3.31Å; E270-G272 PolarHBondContact O-N 3.36Å; E270-D273 PolarHBondContact O-N 3.2Å |
| 271 | D | 47.7 | Very low | 56.7 | Low | 94 Ų | 94 | 109.8 Ų | 109.8 | 50% | 0.503 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -71.1 | -21.8 | -174 | -87.1 | -13.2 | 0 | 0 | 0 | 114.5 | Q307 | D271-Q307 PolarHBondContact OD2-NE2 2.93Å |
| 272 | G | 52.8 | Low | 59.4 | Low | 55 Ų | 55 | 102.4 Ų | 102.4 | 57% | 0.567 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -69.4 | -30.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | E270 A276 | E270-G272 VanDerWaalsContact C-N 3.31Å; E270-G272 PolarHBondContact O-N 3.36Å; G272-A276 WeakPolarHBondContact O-CB 3.47Å; G272-A276 PolarHBondContact O-N 3.14Å |
| 273 | D | 62.3 | Low | 61.9 | Low | 106 Ų | 106 | 102 Ų | 102 | 57% | 0.567 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -79 | -36.9 | -175.8 | -161.9 | 21.8 | 0 | 0 | 0 | 111.6 | E270 M275 A276 A277 | E270-D273 PolarHBondContact O-N 3.2Å; D273-M275 PolarHBondContact O-N 2.92Å; D273-A276 PolarHBondContact O-N 2.96Å; D273-A277 WeakPolarHBondContact O-CB 3.35Å; D273-A277 PolarHBondContact O-N 3.38Å |
| 274 | D | 70.8 | Confident | 64.5 | Low | 78 Ų | 78 | 97.9 Ų | 97.9 | 42% | 0.417 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67.3 | -38.3 | -176.7 | -143.6 | 25.9 | 0 | 0 | 0 | 111.9 | A277 L278 R316 | D274-A277 PolarHBondContact O-N 3.09Å; D274-L278 PolarHBondContact O-N 2.87Å; D274-R316 IonicContact OD2-CZ 2.86Å; D274-R316 IonicContact OD2-NH1 2.71Å; D274-R316 PolarHBondContact OD2-NH1 3.44Å; D274-R316 VanDerWaalsContact OD2-NH1 3.16Å; D274-R316 IonicContact OD2-NH2 2.68Å; D274-R316 PolarHBondContact OD2-NH2 2.92Å |
| 275 | M | 78.1 | Confident | 66.8 | Low | 33 Ų | 33 | 92.1 Ų | 92.1 | 16% | 0.163 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -71 | -37.7 | 174.5 | -71.4 | -63.5 | -70.7 | 0 | 0 | 112.7 | D273 A277 L278 E279 L299 L302 K303 | D273-M275 PolarHBondContact O-N 2.92Å; M275-A277 VanDerWaalsContact C-N 3.33Å; M275-L278 PolarHBondContact O-N 3.28Å; M275-E279 PolarHBondContact O-N 3.47Å; M275-E279 VanDerWaalsContact O-N 3.12Å; M275-L299 HydrophobicContact CE-CD1 4.17Å; M275-L302 HydrophobicContact CE-CB 4.41Å; M275-L302 HydrophobicContact CE-CD2 3.91Å; M275-L302 HydrophobicContact CE-CG 4.07Å; M275-L302 HydrophobicContact SD-CD2 4.03Å; M275-K303 HydrophobicContact CE-CB 4.41Å; M275-K303 HydrophobicContact CE-CG 3.46Å; M275-K303 VanDerWaalsContact CE-CG 3.46Å |
| 276 | A | 82.4 | Confident | 69.1 | Low | 34 Ų | 34 | 86.7 Ų | 86.7 | 28% | 0.281 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.2 | -36.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G272 D273 E279 R280 | G272-A276 WeakPolarHBondContact O-CB 3.47Å; G272-A276 PolarHBondContact O-N 3.14Å; D273-A276 PolarHBondContact O-N 2.96Å; A276-E279 PolarHBondContact O-N 2.93Å; A276-R280 WeakPolarHBondContact O-CG 3.42Å; A276-R280 PolarHBondContact O-N 3.18Å |
| 277 | A | 84.4 | Confident | 71.6 | Confident | 29 Ų | 29 | 80.1 Ų | 80.1 | 24% | 0.24 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -64 | -43.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D273 D274 M275 E279 R280 K281 | D273-A277 WeakPolarHBondContact O-CB 3.35Å; D273-A277 PolarHBondContact O-N 3.38Å; D274-A277 PolarHBondContact O-N 3.09Å; M275-A277 VanDerWaalsContact C-N 3.33Å; A277-E279 VanDerWaalsContact C-N 3.33Å; A277-E279 PolarHBondContact O-N 3.37Å; A277-R280 PolarHBondContact O-N 3.37Å; A277-K281 WeakPolarHBondContact O-CG 3.32Å; A277-K281 PolarHBondContact O-N 2.95Å |
| 278 | L | 84.9 | Confident | 74 | Confident | 14 Ų | 14 | 77 Ų | 77 | 7% | 0.073 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 175.5 | -159 | 83.7 | 0 | 0 | 0 | 111.6 | D274 M275 K281 I282 L299 L302 L319 E320 | D274-L278 PolarHBondContact O-N 2.87Å; M275-L278 PolarHBondContact O-N 3.28Å; L278-K281 PolarHBondContact O-N 3.41Å; L278-I282 HydrophobicContact CG-CD1 4.4Å; L278-I282 VanDerWaalsContact O-CG1 3.28Å; L278-I282 WeakPolarHBondContact O-CG1 3.42Å; L278-I282 PolarHBondContact O-N 3.23Å; L278-L299 HydrophobicContact CD2-CD1 3.95Å; L278-L302 HydrophobicContact CD2-CD2 4.31Å; L278-L319 HydrophobicContact CD2-CB 3.96Å; L278-L319 HydrophobicContact CD2-CD1 3.74Å; L278-E320 HydrophobicContact CD1-CG 4.1Å |
| 279 | E | 87.3 | Confident | 76.2 | Confident | 61 Ų | 61 | 73.8 Ų | 73.8 | 29% | 0.285 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 177.4 | -173.3 | 161.4 | -163.9 | 0 | 0 | 112.3 | M275 A276 A277 K281 I282 Q283 L299 K303 | M275-E279 PolarHBondContact O-N 3.47Å; M275-E279 VanDerWaalsContact O-N 3.12Å; A276-E279 PolarHBondContact O-N 2.93Å; A277-E279 VanDerWaalsContact C-N 3.33Å; A277-E279 PolarHBondContact O-N 3.37Å; E279-K281 VanDerWaalsContact C-N 3.35Å; E279-K281 PolarHBondContact O-N 2.98Å; E279-I282 PolarHBondContact O-N 3.28Å; E279-Q283 PolarHBondContact O-N 2.89Å; E279-Q283 VanDerWaalsContact O-N 3.15Å; E279-L299 HydrophobicContact CB-CD2 4Å; E279-L299 HydrophobicContact CG-CD2 3.9Å; E279-K303 IonicContact OE1-NZ 3.67Å; E279-K303 IonicContact OE2-NZ 3.84Å; E279-K303 PolarHBondContact OE2-NZ 3.36Å |
| 280 | R | 87.5 | Confident | 78.4 | Confident | 175 Ų | 175 | 73.8 Ų | 73.8 | 66% | 0.66 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.4 | -43.4 | 173.1 | -73.7 | 178 | -174.7 | 154 | 3.8 | 111.8 | A276 A277 Q283 G284 | A276-R280 WeakPolarHBondContact O-CG 3.42Å; A276-R280 PolarHBondContact O-N 3.18Å; A277-R280 PolarHBondContact O-N 3.37Å; R280-Q283 PolarHBondContact O-N 3.17Å; R280-G284 PolarHBondContact O-N 3.44Å |
| 281 | K | 87.6 | Confident | 80.5 | Confident | 127 Ų | 127 | 66.2 Ų | 66.2 | 55% | 0.552 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.8 | -41.1 | 177.9 | -75.2 | 176.3 | -177.6 | 175.6 | 0 | 112.3 | A277 L278 E279 Q283 G284 A285 V323 | A277-K281 WeakPolarHBondContact O-CG 3.32Å; A277-K281 PolarHBondContact O-N 2.95Å; L278-K281 PolarHBondContact O-N 3.41Å; E279-K281 VanDerWaalsContact C-N 3.35Å; E279-K281 PolarHBondContact O-N 2.98Å; K281-Q283 VanDerWaalsContact C-N 3.34Å; K281-Q283 PolarHBondContact O-N 3.37Å; K281-G284 PolarHBondContact O-N 3.12Å; K281-A285 PolarHBondContact O-N 2.79Å; K281-V323 HydrophobicContact CB-CG1 3.75Å; K281-V323 HydrophobicContact CB-CG2 4.26Å; K281-V323 HydrophobicContact CD-CG1 4.4Å; K281-V323 HydrophobicContact CG-CG1 4.46Å |
| 282 | I | 87.9 | Confident | 82.5 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.005 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 176.8 | -69.2 | 163.7 | 0 | 0 | 0 | 111 | L278 E279 M287 L292 C295 L299 L319 V323 | L278-I282 HydrophobicContact CG-CD1 4.4Å; L278-I282 VanDerWaalsContact O-CG1 3.28Å; L278-I282 WeakPolarHBondContact O-CG1 3.42Å; L278-I282 PolarHBondContact O-N 3.23Å; E279-I282 PolarHBondContact O-N 3.28Å; I282-M287 HydrophobicContact CG2-CE 4.44Å; I282-L292 HydrophobicContact CG2-CD1 3.85Å; I282-C295 HydrophobicContact CG2-CB 3.98Å; I282-L299 HydrophobicContact CD1-CD1 4.26Å; I282-L299 HydrophobicContact CD1-CD2 4.19Å; I282-L319 HydrophobicContact CD1-CD2 4.25Å; I282-V323 HydrophobicContact CB-CG2 4.46Å; I282-V323 HydrophobicContact CG1-CG2 3.61Å |
| 283 | Q | 85.1 | Confident | 84.4 | Confident | 133 Ų | 133 | 69.5 Ų | 69.5 | 62% | 0.621 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -68.3 | -34.8 | 176.7 | -67.8 | -179.4 | 1.9 | 0 | 0 | 112.3 | E279 R280 K281 | E279-Q283 PolarHBondContact O-N 2.89Å; E279-Q283 VanDerWaalsContact O-N 3.15Å; R280-Q283 PolarHBondContact O-N 3.17Å; K281-Q283 VanDerWaalsContact C-N 3.34Å; K281-Q283 PolarHBondContact O-N 3.37Å |
| 284 | G | 83.9 | Confident | 85.7 | Confident | 60 Ų | 60 | 66.9 Ų | 66.9 | 62% | 0.619 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -74.8 | -18.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R280 K281 S286 | R280-G284 PolarHBondContact O-N 3.44Å; K281-G284 PolarHBondContact O-N 3.12Å; G284-S286 VanDerWaalsContact C-N 3.25Å; G284-S286 PolarHBondContact O-N 2.71Å |
| 285 | A | 80.6 | Confident | 86.7 | Confident | 19 Ų | 19 | 63.2 Ų | 63.2 | 16% | 0.157 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -4.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K281 M287 | K281-A285 PolarHBondContact O-N 2.79Å; A285-M287 VanDerWaalsContact C-N 3.29Å; A285-M287 HydrophobicContact CB-CE 3.55Å; A285-M287 HydrophobicContact CB-CG 3.93Å; A285-M287 PolarHBondContact O-N 2.92Å |
| 286 | S | 85.1 | Confident | 87.3 | Confident | 82 Ų | 82 | 64.7 Ų | 64.7 | 57% | 0.573 | 35% | 0.349 | S | S | * | . | trans | 46 | 48.9 | 179.5 | -60.6 | 0 | 0 | 0 | 0 | 113.5 | G284 | G284-S286 VanDerWaalsContact C-N 3.25Å; G284-S286 PolarHBondContact O-N 2.71Å | ||
| 287 | M | 87.6 | Confident | 87.8 | Confident | 18 Ų | 18 | 70.6 Ų | 70.6 | 9% | 0.089 | 37% | 0.369 | C | S | . | . | trans | -73 | 153.8 | -179.5 | -48.5 | -173.7 | -168.9 | 0 | 0 | 111.5 | I282 A285 A291 L292 M322 V323 W327 | I282-M287 HydrophobicContact CG2-CE 4.44Å; A285-M287 VanDerWaalsContact C-N 3.29Å; A285-M287 HydrophobicContact CB-CE 3.55Å; A285-M287 HydrophobicContact CB-CG 3.93Å; A285-M287 PolarHBondContact O-N 2.92Å; M287-A291 HydrophobicContact CB-CB 4.06Å; M287-L292 HydrophobicContact CB-CB 4.45Å; M287-M322 HydrophobicContact CE-CB 4.26Å; M287-M322 VanDerWaalsContact CE-O 3.27Å; M287-M322 WeakPolarHBondContact CE-O 3.33Å; M287-M322 HydrophobicContact SD-CE 4.37Å; M287-V323 HydrophobicContact CE-CG2 4.02Å; M287-W327 HydrophobicContact CB-CD2 4.28Å; M287-W327 HydrophobicContact CB-CG 4.23Å; M287-W327 HydrophobicContact CG-CD2 4.3Å; M287-W327 HydrophobicContact CG-CG 4.04Å; M287-W327 HydrophobicContact SD-CZ2 4.48Å | ||
| 288 | P | 89 | Confident | 88.1 | Confident | 68 Ų | 68 | 70.5 Ų | 70.5 | 44% | 0.442 | 36% | 0.363 | S | S | . | . | trans | -57.4 | 152.9 | 169 | -21.8 | 32.4 | 0 | 0 | 0 | 112 | A290 A291 L292 W327 | P288-A290 PolarHBondContact O-N 3.26Å; P288-A290 VanDerWaalsContact O-N 3.13Å; P288-A291 PolarHBondContact O-N 3.32Å; P288-L292 PolarHBondContact O-N 3.38Å; P288-W327 HydrophobicContact CG-CE3 3.83Å; P288-W327 HydrophobicContact CG-CZ3 4.26Å | ||
| 289 | E | 88.1 | Confident | 88.3 | Confident | 138 Ų | 138 | 70 Ų | 70 | 65% | 0.645 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -55.8 | -38.1 | -174.9 | -160.1 | -164.2 | 146.6 | 0 | 0 | 112.9 | R293 | E289-R293 WeakPolarHBondContact O-CB 3.34Å; E289-R293 PolarHBondContact O-N 3.15Å; E289-R293 IonicContact OE1-CZ 2.84Å; E289-R293 IonicContact OE1-NH2 3.16Å; E289-R293 PolarHBondContact OE1-NH2 3.38Å |
| 290 | A | 87.9 | Confident | 88.5 | Confident | 65 Ų | 65 | 74.2 Ų | 74.2 | 54% | 0.537 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.5 | -45.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | P288 V294 | P288-A290 PolarHBondContact O-N 3.26Å; P288-A290 VanDerWaalsContact O-N 3.13Å; A290-V294 WeakPolarHBondContact O-CG2 3.42Å; A290-V294 PolarHBondContact O-N 2.93Å |
| 291 | A | 89.1 | Confident | 88.6 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.008 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -68.9 | -45.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | M287 P288 R293 V294 C295 M322 W327 V483 | M287-A291 HydrophobicContact CB-CB 4.06Å; P288-A291 PolarHBondContact O-N 3.32Å; A291-R293 VanDerWaalsContact C-N 3.3Å; A291-R293 PolarHBondContact O-N 3.28Å; A291-V294 PolarHBondContact O-N 3.11Å; A291-V294 VanDerWaalsContact O-N 3.12Å; A291-C295 PolarHBondContact O-N 3.02Å; A291-M322 HydrophobicContact CB-CE 3.91Å; A291-W327 HydrophobicContact CB-CH2 3.68Å; A291-W327 HydrophobicContact CB-CZ2 4.09Å; A291-W327 HydrophobicContact CB-CZ3 3.91Å; A291-V483 HydrophobicContact CB-CG1 3.94Å |
| 292 | L | 90.7 | Very high | 88.7 | Confident | 56 Ų | 56 | 64.2 Ų | 64.2 | 29% | 0.293 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59 | -41.6 | 178.9 | -174.8 | 66.4 | 0 | 0 | 0 | 111.7 | I282 M287 P288 V294 C295 L296 | I282-L292 HydrophobicContact CG2-CD1 3.85Å; M287-L292 HydrophobicContact CB-CB 4.45Å; P288-L292 PolarHBondContact O-N 3.38Å; L292-V294 VanDerWaalsContact C-N 3.32Å; L292-V294 PolarHBondContact O-N 3.27Å; L292-C295 PolarHBondContact O-N 3.05Å; L292-L296 HydrophobicContact CG-CD1 4.15Å; L292-L296 HydrophobicContact CG-CG 4.48Å; L292-L296 WeakPolarHBondContact O-CG 3.43Å; L292-L296 PolarHBondContact O-N 3.39Å |
| 293 | R | 91.4 | Very high | 88.7 | Confident | 162 Ų | 162 | 69.4 Ų | 69.4 | 61% | 0.611 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.7 | -38.9 | 177.7 | -167.2 | -176.8 | -62.3 | 167 | 0.4 | 112.2 | E289 A291 K297 | E289-R293 WeakPolarHBondContact O-CB 3.34Å; E289-R293 PolarHBondContact O-N 3.15Å; E289-R293 IonicContact OE1-CZ 2.84Å; E289-R293 IonicContact OE1-NH2 3.16Å; E289-R293 PolarHBondContact OE1-NH2 3.38Å; A291-R293 VanDerWaalsContact C-N 3.3Å; A291-R293 PolarHBondContact O-N 3.28Å; R293-K297 WeakPolarHBondContact O-CB 3.41Å; R293-K297 PolarHBondContact O-N 2.85Å |
| 294 | V | 91.3 | Very high | 88.8 | Confident | 51 Ų | 51 | 72.1 Ų | 72.1 | 31% | 0.309 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -68.5 | -46.8 | 176.1 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | A290 A291 L292 L296 K297 E298 Y318 V483 | A290-V294 WeakPolarHBondContact O-CG2 3.42Å; A290-V294 PolarHBondContact O-N 2.93Å; A291-V294 PolarHBondContact O-N 3.11Å; A291-V294 VanDerWaalsContact O-N 3.12Å; L292-V294 VanDerWaalsContact C-N 3.32Å; L292-V294 PolarHBondContact O-N 3.27Å; V294-L296 PolarHBondContact O-N 3Å; V294-K297 PolarHBondContact O-N 3.44Å; V294-E298 HydrophobicContact CG1-CG 4.49Å; V294-E298 PolarHBondContact O-N 2.89Å; V294-Y318 HydrophobicContact CG1-CE1 4.45Å; V294-V483 HydrophobicContact CB-CG2 4.41Å; V294-V483 HydrophobicContact CG1-CG2 4.39Å; V294-V483 HydrophobicContact CG2-CG2 4.21Å |
| 295 | C | 90.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.4 | -45.1 | 176.8 | -72.1 | 0 | 0 | 0 | 0 | 112.5 | I282 A291 L292 K297 E298 L299 L319 M322 | I282-C295 HydrophobicContact CG2-CB 3.98Å; A291-C295 PolarHBondContact O-N 3.02Å; L292-C295 PolarHBondContact O-N 3.05Å; C295-K297 VanDerWaalsContact C-N 3.32Å; C295-K297 PolarHBondContact O-N 3.17Å; C295-E298 PolarHBondContact O-N 3.46Å; C295-L299 VanDerWaalsContact O-CB 3.29Å; C295-L299 WeakPolarHBondContact O-CB 3.36Å; C295-L299 PolarHBondContact O-N 2.83Å; C295-L319 HydrophobicContact CB-CD2 4.15Å; C295-M322 WeakPolarHBondContact SG-CE 3.05Å |
| 296 | L | 90.7 | Very high | 89.2 | Confident | 64 Ų | 64 | 73.3 Ų | 73.3 | 34% | 0.335 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.7 | -35.3 | 178.2 | -70.8 | 173.6 | 0 | 0 | 0 | 112.6 | L292 V294 K300 | L292-L296 HydrophobicContact CG-CD1 4.15Å; L292-L296 HydrophobicContact CG-CG 4.48Å; L292-L296 WeakPolarHBondContact O-CG 3.43Å; L292-L296 PolarHBondContact O-N 3.39Å; V294-L296 PolarHBondContact O-N 3Å; L296-K300 WeakPolarHBondContact O-CG 3.33Å; L296-K300 PolarHBondContact O-N 3.43Å; L296-K300 VanDerWaalsContact O-N 3.13Å |
| 297 | K | 92.1 | Very high | 89.1 | Confident | 159 Ų | 159 | 74.8 Ų | 74.8 | 69% | 0.691 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -67.5 | -44.8 | 175.6 | -174.8 | -178.6 | 177.2 | -176.4 | 0 | 111.3 | R293 V294 C295 K300 R301 | R293-K297 WeakPolarHBondContact O-CB 3.41Å; R293-K297 PolarHBondContact O-N 2.85Å; V294-K297 PolarHBondContact O-N 3.44Å; C295-K297 VanDerWaalsContact C-N 3.32Å; C295-K297 PolarHBondContact O-N 3.17Å; K297-K300 PolarHBondContact O-N 2.96Å; K297-R301 PolarHBondContact O-N 3.42Å; K297-R301 VanDerWaalsContact O-N 3.16Å |
| 298 | E | 90.3 | Very high | 88.8 | Confident | 26 Ų | 26 | 79.4 Ų | 79.4 | 12% | 0.121 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.9 | -36.7 | 177.9 | -70.8 | -67.3 | 173.7 | 0 | 0 | 112.1 | V294 C295 K300 R301 L302 T315 Y318 L319 R420 | V294-E298 HydrophobicContact CG1-CG 4.49Å; V294-E298 PolarHBondContact O-N 2.89Å; C295-E298 PolarHBondContact O-N 3.46Å; E298-K300 PolarHBondContact O-N 3.26Å; E298-R301 WeakPolarHBondContact O-CA 3.47Å; E298-R301 WeakPolarHBondContact O-CB 3.37Å; E298-R301 PolarHBondContact O-N 3.47Å; E298-R301 VanDerWaalsContact O-N 3.12Å; E298-R301 IonicContact OE1-NE 2.76Å; E298-R301 IonicContact OE1-NH2 3.56Å; E298-R301 IonicContact OE2-CZ 3.89Å; E298-R301 IonicContact OE2-NE 2.99Å; E298-R301 PolarHBondContact OE2-NE 2.96Å; E298-R301 IonicContact OE2-NH2 3.29Å; E298-R301 PolarHBondContact OE2-NH2 2.91Å; E298-L302 WeakPolarHBondContact O-CB 3.46Å; E298-L302 PolarHBondContact O-N 3.01Å; E298-T315 HydrophobicContact CB-CG2 4.3Å; E298-Y318 HydrophobicContact CG-CE1 4.24Å; E298-L319 HydrophobicContact CB-CD2 4Å; E298-L319 HydrophobicContact CB-CG 4.5Å; E298-R420 IonicContact OE1-CZ 3.44Å; E298-R420 IonicContact OE1-NH1 3.9Å; E298-R420 IonicContact OE1-NH2 2.75Å; E298-R420 PolarHBondContact OE1-NH2 3.33Å; E298-R420 IonicContact OE2-NH2 2.93Å |
| 299 | L | 91.2 | Very high | 88.6 | Confident | 4 Ų | 4 | 80.9 Ų | 80.9 | 2% | 0.021 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 173.7 | -176.4 | 69.8 | 0 | 0 | 0 | 111.8 | M275 L278 E279 I282 C295 R301 L302 K303 L319 | M275-L299 HydrophobicContact CE-CD1 4.17Å; L278-L299 HydrophobicContact CD2-CD1 3.95Å; E279-L299 HydrophobicContact CB-CD2 4Å; E279-L299 HydrophobicContact CG-CD2 3.9Å; I282-L299 HydrophobicContact CD1-CD1 4.26Å; I282-L299 HydrophobicContact CD1-CD2 4.19Å; C295-L299 VanDerWaalsContact O-CB 3.29Å; C295-L299 WeakPolarHBondContact O-CB 3.36Å; C295-L299 PolarHBondContact O-N 2.83Å; L299-R301 PolarHBondContact O-N 2.87Å; L299-L302 PolarHBondContact O-N 2.95Å; L299-K303 WeakPolarHBondContact O-CG 3.37Å; L299-K303 PolarHBondContact O-N 3.19Å; L299-L319 HydrophobicContact CB-CD1 4.32Å; L299-L319 HydrophobicContact CD1-CD1 4.18Å |
| 300 | K | 90.9 | Very high | 88.3 | Confident | 150 Ų | 150 | 79.4 Ų | 79.4 | 65% | 0.652 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -61.7 | -33.4 | 174 | -75.4 | 176.5 | -177.3 | -179.5 | 0 | 112.3 | L296 K297 E298 | L296-K300 WeakPolarHBondContact O-CG 3.33Å; L296-K300 PolarHBondContact O-N 3.43Å; L296-K300 VanDerWaalsContact O-N 3.13Å; K297-K300 PolarHBondContact O-N 2.96Å; E298-K300 PolarHBondContact O-N 3.26Å |
| 301 | R | 89.3 | Confident | 88 | Confident | 90 Ų | 90 | 81.1 Ų | 81.1 | 34% | 0.34 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -71.3 | -44.2 | 176 | -170.3 | 170.3 | 74.3 | 118.2 | 7.8 | 110.9 | K297 E298 L299 K303 K304 M305 E311 T315 | K297-R301 PolarHBondContact O-N 3.42Å; K297-R301 VanDerWaalsContact O-N 3.16Å; E298-R301 WeakPolarHBondContact O-CA 3.47Å; E298-R301 WeakPolarHBondContact O-CB 3.37Å; E298-R301 PolarHBondContact O-N 3.47Å; E298-R301 VanDerWaalsContact O-N 3.12Å; E298-R301 IonicContact OE1-NE 2.76Å; E298-R301 IonicContact OE1-NH2 3.56Å; E298-R301 IonicContact OE2-CZ 3.89Å; E298-R301 IonicContact OE2-NE 2.99Å; E298-R301 PolarHBondContact OE2-NE 2.96Å; E298-R301 IonicContact OE2-NH2 3.29Å; E298-R301 PolarHBondContact OE2-NH2 2.91Å; L299-R301 PolarHBondContact O-N 2.87Å; R301-K303 PolarHBondContact O-N 2.84Å; R301-K304 PolarHBondContact O-N 3.11Å; R301-M305 PolarHBondContact O-N 2.8Å; R301-E311 IonicContact NH1-OE2 3.97Å; R301-T315 PolarHBondContact NH2-OG1 2.89Å; R301-T315 VanDerWaalsContact NH2-OG1 3.1Å |
| 302 | L | 89.3 | Confident | 88 | Confident | 2 Ų | 2 | 82.3 Ų | 82.3 | 1% | 0.01 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 177.1 | -170.6 | 70.1 | 0 | 0 | 0 | 111.7 | M275 L278 E298 L299 K304 M305 Y312 T315 R316 L319 | M275-L302 HydrophobicContact CE-CB 4.41Å; M275-L302 HydrophobicContact CE-CD2 3.91Å; M275-L302 HydrophobicContact CE-CG 4.07Å; M275-L302 HydrophobicContact SD-CD2 4.03Å; L278-L302 HydrophobicContact CD2-CD2 4.31Å; E298-L302 WeakPolarHBondContact O-CB 3.46Å; E298-L302 PolarHBondContact O-N 3.01Å; L299-L302 PolarHBondContact O-N 2.95Å; L302-K304 PolarHBondContact O-N 2.92Å; L302-K304 VanDerWaalsContact O-N 3.15Å; L302-M305 PolarHBondContact O-N 2.63Å; L302-M305 VanDerWaalsContact O-N 3.11Å; L302-Y312 HydrophobicContact CD1-CD1 4.31Å; L302-Y312 HydrophobicContact CD1-CD2 3.42Å; L302-Y312 VanDerWaalsContact CD1-CD2 3.42Å; L302-Y312 HydrophobicContact CD1-CE1 4.34Å; L302-Y312 HydrophobicContact CD1-CE2 3.46Å; L302-Y312 VanDerWaalsContact CD1-CE2 3.46Å; L302-Y312 HydrophobicContact CD1-CG 3.86Å; L302-Y312 HydrophobicContact CG-CD2 4.23Å; L302-Y312 HydrophobicContact CG-CE2 3.8Å; L302-T315 HydrophobicContact CB-CG2 4.27Å; L302-T315 HydrophobicContact CD1-CG2 4.18Å; L302-R316 HydrophobicContact CD2-CB 4.44Å; L302-L319 HydrophobicContact CD2-CD1 3.9Å |
| 303 | K | 87.9 | Confident | 87.7 | Confident | 110 Ų | 110 | 82.1 Ų | 82.1 | 48% | 0.478 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -25 | 177 | -75.1 | -176.5 | -179.5 | -175.3 | 0 | 114.2 | M275 E279 L299 R301 | M275-K303 HydrophobicContact CE-CB 4.41Å; M275-K303 HydrophobicContact CE-CG 3.46Å; M275-K303 VanDerWaalsContact CE-CG 3.46Å; E279-K303 IonicContact OE1-NZ 3.67Å; E279-K303 IonicContact OE2-NZ 3.84Å; E279-K303 PolarHBondContact OE2-NZ 3.36Å; L299-K303 WeakPolarHBondContact O-CG 3.37Å; L299-K303 PolarHBondContact O-N 3.19Å; R301-K303 PolarHBondContact O-N 2.84Å |
| 304 | K | 88.1 | Confident | 87.5 | Confident | 189 Ų | 189 | 77.3 Ų | 77.3 | 82% | 0.822 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96 | -11.5 | -179.7 | -68.6 | -176.1 | 178.1 | -171.5 | 0 | 113.4 | R301 L302 | R301-K304 PolarHBondContact O-N 3.11Å; L302-K304 PolarHBondContact O-N 2.92Å; L302-K304 VanDerWaalsContact O-N 3.15Å |
| 305 | M | 86.4 | Confident | 87.4 | Confident | 31 Ų | 31 | 75 Ų | 75 | 15% | 0.153 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -93.7 | 133.5 | -171.4 | -172.6 | 175.4 | -76.3 | 0 | 0 | 110.3 | R301 L302 M309 E311 Y312 | R301-M305 PolarHBondContact O-N 2.8Å; L302-M305 PolarHBondContact O-N 2.63Å; L302-M305 VanDerWaalsContact O-N 3.11Å; M305-M309 HydrophobicContact CG-CB 4.32Å; M305-M309 HydrophobicContact CG-SD 4.26Å; M305-M309 HydrophobicContact SD-CB 4.42Å; M305-E311 HydrophobicContact CE-CB 3.88Å; M305-E311 HydrophobicContact SD-CB 3.6Å; M305-Y312 HydrophobicContact CB-CD2 4.4Å |
| 306 | P | 85.6 | Confident | 87.3 | Confident | 73 Ų | 73 | 78.6 Ų | 78.6 | 47% | 0.474 | 39% | 0.392 | S | S | . | . | trans | -63 | 139.2 | 172.9 | -21.2 | 32.7 | 0 | 0 | 0 | 111.9 | S308 M309 | P306-S308 PolarHBondContact O-N 3.35Å; P306-M309 PolarHBondContact O-N 3.48Å | ||
| 307 | Q | 84.3 | Confident | 87.2 | Confident | 114 Ų | 114 | 79.5 Ų | 79.5 | 53% | 0.533 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -25 | -179.2 | -65.5 | -179 | 4.6 | 0 | 0 | 113.5 | D271 M309 Y312 | D271-Q307 PolarHBondContact OD2-NE2 2.93Å; Q307-M309 PolarHBondContact O-N 3.49Å; Q307-Y312 HydrophobicContact CG-CD2 4.45Å; Q307-Y312 HydrophobicContact CG-CE1 4.12Å; Q307-Y312 HydrophobicContact CG-CE2 4.03Å |
| 308 | S | 81.1 | Confident | 87.2 | Confident | 114 Ų | 114 | 72.2 Ų | 72.2 | 80% | 0.797 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -11.7 | 178.9 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | P306 | P306-S308 PolarHBondContact O-N 3.35Š|
| 309 | M | 84.7 | Confident | 87.3 | Confident | 99 Ų | 99 | 71 Ų | 71 | 49% | 0.488 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -80.1 | 136.4 | 177.6 | -80.4 | -164.3 | 169.4 | 0 | 0 | 112.2 | M305 P306 Q307 E311 Y312 | M305-M309 HydrophobicContact CG-CB 4.32Å; M305-M309 HydrophobicContact CG-SD 4.26Å; M305-M309 HydrophobicContact SD-CB 4.42Å; P306-M309 PolarHBondContact O-N 3.48Å; Q307-M309 PolarHBondContact O-N 3.49Å; M309-E311 PolarHBondContact O-N 3.36Å; M309-E311 VanDerWaalsContact O-N 3.1Å; M309-Y312 VanDerWaalsContact O-CB 3.26Å; M309-Y312 WeakPolarHBondContact O-CB 3.49Å; M309-Y312 PolarHBondContact O-N 3.18Å |
| 310 | P | 80.2 | Confident | 87.2 | Confident | 108 Ų | 108 | 73.8 Ų | 73.8 | 70% | 0.701 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -57.4 | -27.5 | 174.7 | -24.8 | 33.2 | 0 | 0 | 0 | 114.3 | Y312 | P310-Y312 VanDerWaalsContact C-N 3.26Å; P310-Y312 PolarHBondContact O-N 2.96Å |
| 311 | E | 83.4 | Confident | 87.3 | Confident | 100 Ų | 100 | 67.1 Ų | 67.1 | 47% | 0.467 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.6 | -22.7 | 176.9 | -70.8 | -165.1 | -171.6 | 0 | 0 | 113.6 | R301 M305 M309 T315 | R301-E311 IonicContact NH1-OE2 3.97Å; M305-E311 HydrophobicContact CE-CB 3.88Å; M305-E311 HydrophobicContact SD-CB 3.6Å; M309-E311 PolarHBondContact O-N 3.36Å; M309-E311 VanDerWaalsContact O-N 3.1Å; E311-T315 WeakPolarHBondContact O-CB 3.44Å; E311-T315 PolarHBondContact O-N 3.43Å; E311-T315 PolarHBondContact O-OG1 3.41Å |
| 312 | Y | 87.6 | Confident | 87.3 | Confident | 26 Ų | 26 | 62.8 Ų | 62.8 | 10% | 0.102 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64 | -52.6 | 178.9 | -175.8 | -86.3 | 0 | 0 | 0 | 110 | L302 M305 Q307 M309 P310 L314 T315 R316 | L302-Y312 HydrophobicContact CD1-CD1 4.31Å; L302-Y312 HydrophobicContact CD1-CD2 3.42Å; L302-Y312 VanDerWaalsContact CD1-CD2 3.42Å; L302-Y312 HydrophobicContact CD1-CE1 4.34Å; L302-Y312 HydrophobicContact CD1-CE2 3.46Å; L302-Y312 VanDerWaalsContact CD1-CE2 3.46Å; L302-Y312 HydrophobicContact CD1-CG 3.86Å; L302-Y312 HydrophobicContact CG-CD2 4.23Å; L302-Y312 HydrophobicContact CG-CE2 3.8Å; M305-Y312 HydrophobicContact CB-CD2 4.4Å; Q307-Y312 HydrophobicContact CG-CD2 4.45Å; Q307-Y312 HydrophobicContact CG-CE1 4.12Å; Q307-Y312 HydrophobicContact CG-CE2 4.03Å; M309-Y312 VanDerWaalsContact O-CB 3.26Å; M309-Y312 WeakPolarHBondContact O-CB 3.49Å; M309-Y312 PolarHBondContact O-N 3.18Å; P310-Y312 VanDerWaalsContact C-N 3.26Å; P310-Y312 PolarHBondContact O-N 2.96Å; Y312-L314 VanDerWaalsContact C-N 3.34Å; Y312-L314 PolarHBondContact O-N 3.36Å; Y312-T315 PolarHBondContact O-N 3.47Å; Y312-R316 WeakPolarHBondContact O-CB 3.49Å; Y312-R316 PolarHBondContact O-N 2.75Å |
| 313 | A | 85.8 | Confident | 87.4 | Confident | 52 Ų | 52 | 64.2 Ų | 64.2 | 43% | 0.43 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T315 R316 N317 | A313-T315 PolarHBondContact O-N 2.89Å; A313-R316 PolarHBondContact O-N 3.37Å; A313-N317 WeakPolarHBondContact O-CB 3.27Å; A313-N317 PolarHBondContact O-N 3.42Å; A313-N317 PolarHBondContact O-ND2 3.41Å; A313-N317 PolarHBondContact O-OD1 3.27Å |
| 314 | L | 87 | Confident | 87.6 | Confident | 62 Ų | 62 | 63.5 Ų | 63.5 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 177.4 | -69.9 | 173.1 | 0 | 0 | 0 | 112.5 | Y312 Y318 | Y312-L314 VanDerWaalsContact C-N 3.34Å; Y312-L314 PolarHBondContact O-N 3.36Å; L314-Y318 WeakPolarHBondContact O-CB 3.44Å; L314-Y318 PolarHBondContact O-N 3.28Å; L314-Y318 VanDerWaalsContact O-N 3.08Å |
| 315 | T | 88.7 | Confident | 87.7 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -72.7 | -37.3 | -179.6 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | E298 R301 L302 E311 Y312 A313 Y318 L319 | E298-T315 HydrophobicContact CB-CG2 4.3Å; R301-T315 PolarHBondContact NH2-OG1 2.89Å; R301-T315 VanDerWaalsContact NH2-OG1 3.1Å; L302-T315 HydrophobicContact CB-CG2 4.27Å; L302-T315 HydrophobicContact CD1-CG2 4.18Å; E311-T315 WeakPolarHBondContact O-CB 3.44Å; E311-T315 PolarHBondContact O-N 3.43Å; E311-T315 PolarHBondContact O-OG1 3.41Å; Y312-T315 PolarHBondContact O-N 3.47Å; A313-T315 PolarHBondContact O-N 2.89Å; T315-Y318 PolarHBondContact O-N 3.21Å; T315-L319 WeakPolarHBondContact O-CG 3.39Å; T315-L319 PolarHBondContact O-N 3.01Å |
| 316 | R | 88.8 | Confident | 87.9 | Confident | 76 Ų | 76 | 53.6 Ų | 53.6 | 29% | 0.287 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.3 | -52.5 | 172.7 | -178.3 | 172.5 | 177.6 | 147.9 | 3.1 | 111.4 | D274 L302 Y312 A313 Y318 L319 E320 | D274-R316 IonicContact OD2-CZ 2.86Å; D274-R316 IonicContact OD2-NH1 2.71Å; D274-R316 PolarHBondContact OD2-NH1 3.44Å; D274-R316 VanDerWaalsContact OD2-NH1 3.16Å; D274-R316 IonicContact OD2-NH2 2.68Å; D274-R316 PolarHBondContact OD2-NH2 2.92Å; L302-R316 HydrophobicContact CD2-CB 4.44Å; Y312-R316 WeakPolarHBondContact O-CB 3.49Å; Y312-R316 PolarHBondContact O-N 2.75Å; A313-R316 PolarHBondContact O-N 3.37Å; R316-Y318 PolarHBondContact O-N 2.83Å; R316-L319 PolarHBondContact O-N 3.09Å; R316-E320 HydrophobicContact CG-CG 4.49Å; R316-E320 WeakPolarHBondContact CG-OE1 3.47Å; R316-E320 IonicContact CZ-OE1 3.16Å; R316-E320 IonicContact NE-OE1 2.92Å; R316-E320 PolarHBondContact NE-OE1 2.75Å; R316-E320 VanDerWaalsContact NE-OE1 3.08Å; R316-E320 IonicContact NH2-OE1 2.63Å; R316-E320 WeakPolarHBondContact O-CG 3.41Å; R316-E320 PolarHBondContact O-N 3.48Å |
| 317 | N | 89.4 | Confident | 88.1 | Confident | 83 Ų | 83 | 51.6 Ų | 51.6 | 44% | 0.444 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58 | -36.6 | 177.7 | -68 | -5.2 | 0 | 0 | 0 | 112.3 | A313 L321 | A313-N317 WeakPolarHBondContact O-CB 3.27Å; A313-N317 PolarHBondContact O-N 3.42Å; A313-N317 PolarHBondContact O-ND2 3.41Å; A313-N317 PolarHBondContact O-OD1 3.27Å; N317-L321 WeakPolarHBondContact O-CB 3.12Å; N317-L321 PolarHBondContact O-N 3.45Å |
| 318 | Y | 91.5 | Very high | 88.2 | Confident | 5 Ų | 5 | 49.6 Ų | 49.6 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65 | -45.6 | 174.6 | 174.7 | -94.9 | 0 | 0 | 0 | 112.3 | V294 E298 L314 T315 R316 L321 M322 R420 Y480 L481 | V294-Y318 HydrophobicContact CG1-CE1 4.45Å; E298-Y318 HydrophobicContact CG-CE1 4.24Å; L314-Y318 WeakPolarHBondContact O-CB 3.44Å; L314-Y318 PolarHBondContact O-N 3.28Å; L314-Y318 VanDerWaalsContact O-N 3.08Å; T315-Y318 PolarHBondContact O-N 3.21Å; R316-Y318 PolarHBondContact O-N 2.83Å; Y318-L321 PolarHBondContact O-N 3Å; Y318-M322 HydrophobicContact CD1-CG 4.27Å; Y318-M322 HydrophobicContact CE1-CG 3.86Å; Y318-M322 HydrophobicContact CE2-CG 4.39Å; Y318-M322 VanDerWaalsContact O-CG 3.29Å; Y318-M322 WeakPolarHBondContact O-CG 3.49Å; Y318-M322 PolarHBondContact O-N 2.98Å; Y318-R420 VanDerWaalsContact CD1-NH1 3.28Å; Y318-R420 VanDerWaalsContact CG-NH1 3.33Å; Y318-Y480 HydrophobicContact CD2-CE1 4.16Å; Y318-L481 PolarHBondContact OH-O 3.2Å |
| 319 | L | 91.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 177.5 | -71.4 | 174.4 | 0 | 0 | 0 | 111.7 | L278 I282 C295 E298 L299 L302 T315 R316 M322 V323 | L278-L319 HydrophobicContact CD2-CB 3.96Å; L278-L319 HydrophobicContact CD2-CD1 3.74Å; I282-L319 HydrophobicContact CD1-CD2 4.25Å; C295-L319 HydrophobicContact CB-CD2 4.15Å; E298-L319 HydrophobicContact CB-CD2 4Å; E298-L319 HydrophobicContact CB-CG 4.5Å; L299-L319 HydrophobicContact CB-CD1 4.32Å; L299-L319 HydrophobicContact CD1-CD1 4.18Å; L302-L319 HydrophobicContact CD2-CD1 3.9Å; T315-L319 WeakPolarHBondContact O-CG 3.39Å; T315-L319 PolarHBondContact O-N 3.01Å; R316-L319 PolarHBondContact O-N 3.09Å; L319-M322 PolarHBondContact O-N 3.31Å; L319-V323 WeakPolarHBondContact O-CG2 3.42Å; L319-V323 PolarHBondContact O-N 3.22Å |
| 320 | E | 90.3 | Very high | 88.7 | Confident | 64 Ų | 64 | 49.6 Ų | 49.6 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 173.6 | -72.6 | 174 | -177.2 | 0 | 0 | 111.2 | L278 R316 M322 V323 E324 | L278-E320 HydrophobicContact CD1-CG 4.1Å; R316-E320 HydrophobicContact CG-CG 4.49Å; R316-E320 WeakPolarHBondContact CG-OE1 3.47Å; R316-E320 IonicContact CZ-OE1 3.16Å; R316-E320 IonicContact NE-OE1 2.92Å; R316-E320 PolarHBondContact NE-OE1 2.75Å; R316-E320 VanDerWaalsContact NE-OE1 3.08Å; R316-E320 IonicContact NH2-OE1 2.63Å; R316-E320 WeakPolarHBondContact O-CG 3.41Å; R316-E320 PolarHBondContact O-N 3.48Å; E320-M322 VanDerWaalsContact C-N 3.35Å; E320-M322 PolarHBondContact O-N 3.11Å; E320-V323 PolarHBondContact O-N 2.96Å; E320-E324 WeakPolarHBondContact O-CG 3.21Å; E320-E324 PolarHBondContact O-N 2.69Å |
| 321 | L | 91.8 | Very high | 89.1 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.8 | -46 | 174.5 | 179.1 | 66.3 | 0 | 0 | 0 | 111.8 | N317 Y318 V323 E324 L325 P427 K435 Y480 L481 | N317-L321 WeakPolarHBondContact O-CB 3.12Å; N317-L321 PolarHBondContact O-N 3.45Å; Y318-L321 PolarHBondContact O-N 3Å; L321-V323 PolarHBondContact O-N 2.8Å; L321-E324 PolarHBondContact O-N 2.85Å; L321-L325 HydrophobicContact CD1-CG 4.43Å; L321-L325 HydrophobicContact CG-CD1 4.38Å; L321-L325 VanDerWaalsContact O-CG 3.31Å; L321-L325 WeakPolarHBondContact O-CG 3.21Å; L321-L325 PolarHBondContact O-N 2.88Å; L321-L325 VanDerWaalsContact O-N 3.14Å; L321-P427 HydrophobicContact CD2-CB 4.13Å; L321-P427 HydrophobicContact CD2-CG 4.02Å; L321-K435 HydrophobicContact CD1-CD 3.7Å; L321-Y480 HydrophobicContact CD2-CD1 3.66Å; L321-Y480 HydrophobicContact CD2-CE1 3.56Å; L321-L481 HydrophobicContact CD2-CD1 4.29Å |
| 322 | M | 91.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.4 | -35.2 | 179.2 | -71.9 | -69.1 | -70.3 | 0 | 0 | 112.4 | M287 A291 C295 Y318 L319 E320 W327 L481 V483 | M287-M322 HydrophobicContact CE-CB 4.26Å; M287-M322 VanDerWaalsContact CE-O 3.27Å; M287-M322 WeakPolarHBondContact CE-O 3.33Å; M287-M322 HydrophobicContact SD-CE 4.37Å; A291-M322 HydrophobicContact CB-CE 3.91Å; C295-M322 WeakPolarHBondContact SG-CE 3.05Å; Y318-M322 HydrophobicContact CD1-CG 4.27Å; Y318-M322 HydrophobicContact CE1-CG 3.86Å; Y318-M322 HydrophobicContact CE2-CG 4.39Å; Y318-M322 VanDerWaalsContact O-CG 3.29Å; Y318-M322 WeakPolarHBondContact O-CG 3.49Å; Y318-M322 PolarHBondContact O-N 2.98Å; L319-M322 PolarHBondContact O-N 3.31Å; E320-M322 VanDerWaalsContact C-N 3.35Å; E320-M322 PolarHBondContact O-N 3.11Å; M322-W327 HydrophobicContact CE-CH2 3.9Å; M322-W327 HydrophobicContact CE-CZ2 3.52Å; M322-W327 PolarHBondContact O-NE1 2.86Å; M322-W327 HydrophobicContact SD-CH2 4.43Å; M322-W327 HydrophobicContact SD-CZ2 3.92Å; M322-L481 HydrophobicContact SD-CD1 3.41Å; M322-L481 WeakPolarHBondContact SD-CD1 3.46Å; M322-L481 HydrophobicContact SD-CD2 4.45Å; M322-L481 HydrophobicContact SD-CG 3.84Å; M322-V483 HydrophobicContact CE-CG2 4.45Å |
| 323 | V | 91.2 | Very high | 88.9 | Confident | 31 Ų | 31 | 52 Ų | 52 | 19% | 0.188 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -73.6 | -39.7 | 177.5 | 166.5 | 0 | 0 | 0 | 0 | 112 | K281 I282 M287 L319 E320 L321 L325 | K281-V323 HydrophobicContact CB-CG1 3.75Å; K281-V323 HydrophobicContact CB-CG2 4.26Å; K281-V323 HydrophobicContact CD-CG1 4.4Å; K281-V323 HydrophobicContact CG-CG1 4.46Å; I282-V323 HydrophobicContact CB-CG2 4.46Å; I282-V323 HydrophobicContact CG1-CG2 3.61Å; M287-V323 HydrophobicContact CE-CG2 4.02Å; L319-V323 WeakPolarHBondContact O-CG2 3.42Å; L319-V323 PolarHBondContact O-N 3.22Å; E320-V323 PolarHBondContact O-N 2.96Å; L321-V323 PolarHBondContact O-N 2.8Å; V323-L325 VanDerWaalsContact C-N 3.3Å; V323-L325 PolarHBondContact O-N 2.76Å |
| 324 | E | 90.6 | Very high | 88.5 | Confident | 95 Ų | 95 | 52.8 Ų | 52.8 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -72.7 | -22.6 | -178.2 | -72.9 | 176.5 | 165.8 | 0 | 0 | 113.5 | E320 L321 K435 | E320-E324 WeakPolarHBondContact O-CG 3.21Å; E320-E324 PolarHBondContact O-N 2.69Å; L321-E324 PolarHBondContact O-N 2.85Å; E324-K435 VanDerWaalsContact OE2-CD 3.28Å; E324-K435 WeakPolarHBondContact OE2-CD 3.37Å; E324-K435 WeakPolarHBondContact OE2-CE 3.15Å; E324-K435 IonicContact OE2-NZ 3.4Å; E324-K435 PolarHBondContact OE2-NZ 3.33Å |
| 325 | L | 91.4 | Very high | 87.9 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -66.3 | 135.3 | 180 | -74.9 | 170.7 | 0 | 0 | 0 | 111.8 | L321 V323 W327 I431 L434 K435 L481 F485 | L321-L325 HydrophobicContact CD1-CG 4.43Å; L321-L325 HydrophobicContact CG-CD1 4.38Å; L321-L325 VanDerWaalsContact O-CG 3.31Å; L321-L325 WeakPolarHBondContact O-CG 3.21Å; L321-L325 PolarHBondContact O-N 2.88Å; L321-L325 VanDerWaalsContact O-N 3.14Å; V323-L325 VanDerWaalsContact C-N 3.3Å; V323-L325 PolarHBondContact O-N 2.76Å; L325-W327 HydrophobicContact CD1-CZ2 4.36Å; L325-W327 PolarHBondContact O-N 2.75Å; L325-I431 HydrophobicContact CD1-CG2 4.13Å; L325-I431 HydrophobicContact CD2-CG2 3.78Å; L325-L434 HydrophobicContact CD2-CB 4.33Å; L325-K435 HydrophobicContact CD2-CB 4.33Å; L325-L481 HydrophobicContact CD1-CD1 3.57Å; L325-L481 HydrophobicContact CD1-CD2 4.24Å; L325-F485 HydrophobicContact CB-CE2 4.14Å; L325-F485 HydrophobicContact CD1-CE2 4.43Å |
| 326 | P | 90.9 | Very high | 87.7 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 5% | 0.045 | 29% | 0.29 | C | S | . | . | trans | -79.8 | 88.2 | -179 | 32 | -34.2 | 0 | 0 | 0 | 110.3 | K329 L434 V439 N440 | P326-K329 HydrophobicContact CB-CB 4.41Å; P326-L434 HydrophobicContact CG-CB 4.46Å; P326-V439 WeakPolarHBondContact CG-O 3.33Å; P326-N440 VanDerWaalsContact O-CB 3.32Å; P326-N440 WeakPolarHBondContact O-CB 3.13Å | ||
| 327 | W | 88.8 | Confident | 87.6 | Confident | 32 Ų | 32 | 55.2 Ų | 55.2 | 12% | 0.121 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -71.7 | -42.9 | 178.7 | -61.5 | 92.6 | 0 | 0 | 0 | 112.7 | M287 P288 A291 M322 L325 N440 L481 V483 F485 | M287-W327 HydrophobicContact CB-CD2 4.28Å; M287-W327 HydrophobicContact CB-CG 4.23Å; M287-W327 HydrophobicContact CG-CD2 4.3Å; M287-W327 HydrophobicContact CG-CG 4.04Å; M287-W327 HydrophobicContact SD-CZ2 4.48Å; P288-W327 HydrophobicContact CG-CE3 3.83Å; P288-W327 HydrophobicContact CG-CZ3 4.26Å; A291-W327 HydrophobicContact CB-CH2 3.68Å; A291-W327 HydrophobicContact CB-CZ2 4.09Å; A291-W327 HydrophobicContact CB-CZ3 3.91Å; M322-W327 HydrophobicContact CE-CH2 3.9Å; M322-W327 HydrophobicContact CE-CZ2 3.52Å; M322-W327 PolarHBondContact O-NE1 2.86Å; M322-W327 HydrophobicContact SD-CH2 4.43Å; M322-W327 HydrophobicContact SD-CZ2 3.92Å; L325-W327 HydrophobicContact CD1-CZ2 4.36Å; L325-W327 PolarHBondContact O-N 2.75Å; W327-N440 PolarHBondContact O-ND2 3.44Å; W327-L481 HydrophobicContact CH2-CD2 4.23Å; W327-V483 HydrophobicContact CH2-CG1 4.33Å; W327-F485 HydrophobicContact CD2-CE2 4.09Å; W327-F485 AromaticContact CE3-CD2 3.97Å; W327-F485 HydrophobicContact CE3-CD2 3.97Å; W327-F485 AromaticContact CE3-CE2 3.84Å; W327-F485 HydrophobicContact CE3-CE2 3.84Å; W327-F485 AromaticContact CH2-CD2 3.88Å; W327-F485 HydrophobicContact CH2-CD2 3.88Å; W327-F485 HydrophobicContact CH2-CE2 4.29Å; W327-F485 HydrophobicContact CZ2-CD2 4.45Å; W327-F485 HydrophobicContact CZ2-CE2 4.48Å; W327-F485 AromaticContact CZ3-CD2 3.61Å; W327-F485 HydrophobicContact CZ3-CD2 3.61Å; W327-F485 AromaticContact CZ3-CE2 3.96Å; W327-F485 HydrophobicContact CZ3-CE2 3.96Å |
| 328 | S | 86.8 | Confident | 87.6 | Confident | 71 Ų | 71 | 61.3 Ų | 61.3 | 50% | 0.497 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -126.7 | -6.5 | -172.2 | 54.3 | 0 | 0 | 0 | 0 | 114.2 | S330 | S328-S330 PolarHBondContact O-N 2.77Š|
| 329 | K | 87.2 | Confident | 87.3 | Confident | 137 Ų | 137 | 62.9 Ų | 62.9 | 60% | 0.596 | 32% | 0.32 | S | S | * | . | trans | -82.1 | 115.5 | -178.4 | -171.8 | 177.7 | 169.8 | -165.6 | 0 | 110.7 | P326 G438 V439 N440 | P326-K329 HydrophobicContact CB-CB 4.41Å; K329-G438 WeakPolarHBondContact CD-O 3.42Å; K329-V439 HydrophobicContact CG-CG1 4.34Å; K329-V439 CarbonylContact O-C 3.54Å; K329-V439 WeakPolarHBondContact O-CA 3.2Å; K329-N440 PolarHBondContact O-N 2.91Å; K329-N440 PolarHBondContact O-OD1 2.98Å | ||
| 330 | S | 88.3 | Confident | 87.1 | Confident | 76 Ų | 76 | 63 Ų | 63 | 53% | 0.531 | 32% | 0.321 | S | S | . | . | trans | -124.3 | 152.1 | 179.6 | 61.4 | 0 | 0 | 0 | 0 | 112.3 | S328 N440 | S328-S330 PolarHBondContact O-N 2.77Å; S330-N440 WeakPolarHBondContact CA-OD1 3.37Å; S330-N440 WeakPolarHBondContact CB-OD1 3.45Å | ||
| 331 | T | 89.6 | Confident | 87.1 | Confident | 27 Ų | 27 | 67 Ų | 67 | 17% | 0.166 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -81.9 | 150.5 | 168 | 48.4 | 0 | 0 | 0 | 0 | 110.8 | E400 V439 N441 | T331-E400 HydrophobicContact CG2-CG 4.27Å; T331-V439 HydrophobicContact CG2-CB 4.46Å; T331-V439 HydrophobicContact CG2-CG1 4.07Å; T331-V439 HydrophobicContact CG2-CG2 4.18Å; T331-N441 PolarHBondContact N-ND2 3.35Å; T331-N441 PolarHBondContact N-OD1 3.37Å; T331-N441 PolarHBondContact O-ND2 3.11Å; T331-N441 VanDerWaalsContact OG1-CG 3.3Å; T331-N441 PolarHBondContact OG1-ND2 2.97Å; T331-N441 VanDerWaalsContact OG1-ND2 3.14Å; T331-N441 PolarHBondContact OG1-OD1 2.94Å |
| 332 | K | 85 | Confident | 87 | Confident | 198 Ų | 198 | 70.5 Ų | 70.5 | 86% | 0.861 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -80.3 | 119.4 | 174 | -70 | -176.5 | -179.6 | 178.9 | 0 | 109.6 | C334 | K332-C334 PolarHBondContact O-N 3.25Š|
| 333 | D | 81.1 | Confident | 86.8 | Confident | 60 Ų | 60 | 73.6 Ų | 73.6 | 32% | 0.321 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -68 | 127.1 | 178.1 | -71.9 | -3.8 | 0 | 0 | 0 | 111.2 | L335 R365 R399 | D333-L335 HydrophobicContact CB-CD1 4.45Å; D333-L335 HydrophobicContact CB-CG 4.3Å; D333-R365 VanDerWaalsContact CG-NH2 3.33Å; D333-R365 IonicContact OD1-NH2 3.8Å; D333-R365 IonicContact OD2-CZ 2.62Å; D333-R365 IonicContact OD2-NH2 3.92Å; D333-R365 PolarHBondContact OD2-NH2 2.82Å; D333-R399 IonicContact OD1-CZ 3.72Å; D333-R399 IonicContact OD1-NE 3.74Å; D333-R399 PolarHBondContact OD1-NE 2.77Å; D333-R399 IonicContact OD1-NH2 4Å; D333-R399 PolarHBondContact OD1-NH2 3.23Å; D333-R399 IonicContact OD2-CZ 3.84Å; D333-R399 IonicContact OD2-NE 2.73Å; D333-R399 IonicContact OD2-NH2 3.37Å; D333-R399 PolarHBondContact OD2-NH2 2.63Å |
| 334 | C | 77.9 | Confident | 86.6 | Confident | 68 Ų | 68 | 72.3 Ų | 72.3 | 46% | 0.459 | 36% | 0.363 | S | S | . | . | trans | -97.1 | 110.8 | 167.3 | -168.3 | 0 | 0 | 0 | 0 | 109 | K332 L397 | K332-C334 PolarHBondContact O-N 3.25Å; C334-L397 PolarHBondContact N-O 3.48Å | ||
| 335 | L | 74.6 | Confident | 86.4 | Confident | 56 Ų | 56 | 71.1 Ų | 71.1 | 29% | 0.293 | 36% | 0.36 | S | S | . | . | trans | -115 | 51.6 | -175.9 | -65.6 | 168.8 | 0 | 0 | 0 | 111.3 | D333 Q366 L397 | D333-L335 HydrophobicContact CB-CD1 4.45Å; D333-L335 HydrophobicContact CB-CG 4.3Å; L335-Q366 HydrophobicContact CB-CG 4.43Å; L335-Q366 PolarHBondContact O-NE2 3.44Å; L335-L397 HydrophobicContact CD2-CD2 3.58Å | ||
| 336 | D | 84.6 | Confident | 86.2 | Confident | 82 Ų | 82 | 76 Ų | 76 | 44% | 0.439 | 39% | 0.386 | S | S | . | . | trans | -94.7 | 109.4 | 171.2 | -176.6 | -1.9 | 0 | 0 | 0 | 111 | R338 A339 A340 | D336-R338 VanDerWaalsContact C-N 3.31Å; D336-R338 PolarHBondContact O-N 3.47Å; D336-R338 PolarHBondContact OD1-N 2.97Å; D336-A339 HydrophobicContact CB-CB 3.94Å; D336-A339 PolarHBondContact OD1-N 2.88Å; D336-A340 WeakPolarHBondContact O-CB 3.38Å; D336-A340 PolarHBondContact O-N 3.03Å | ||
| 337 | I | 86.4 | Confident | 85.9 | Confident | 54 Ų | 54 | 77.6 Ų | 77.6 | 28% | 0.277 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.5 | -33 | -179.6 | -56.8 | 170.2 | 0 | 0 | 0 | 111.7 | R341 L359 A363 | I337-R341 PolarHBondContact O-N 3.44Å; I337-L359 HydrophobicContact CG2-CD2 4.15Å; I337-A363 HydrophobicContact CD1-CB 3.7Å |
| 338 | R | 88.3 | Confident | 85.8 | Confident | 211 Ų | 211 | 76.6 Ų | 76.6 | 80% | 0.796 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -71.6 | -48.9 | -179.6 | -68.7 | -176.7 | -177.2 | 174 | 1.6 | 110.2 | D336 A340 R341 T342 | D336-R338 VanDerWaalsContact C-N 3.31Å; D336-R338 PolarHBondContact O-N 3.47Å; D336-R338 PolarHBondContact OD1-N 2.97Å; R338-A340 VanDerWaalsContact C-N 3.28Å; R338-A340 PolarHBondContact O-N 3.36Å; R338-R341 PolarHBondContact O-N 2.75Å; R338-T342 PolarHBondContact O-N 2.85Å; R338-T342 PolarHBondContact O-OG1 3.39Å |
| 339 | A | 86.9 | Confident | 85.7 | Confident | 38 Ų | 38 | 76.7 Ų | 76.7 | 31% | 0.314 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.3 | -41.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D336 R341 T342 L343 | D336-A339 HydrophobicContact CB-CB 3.94Å; D336-A339 PolarHBondContact OD1-N 2.88Å; A339-R341 VanDerWaalsContact C-N 3.35Å; A339-R341 PolarHBondContact O-N 3.23Å; A339-T342 PolarHBondContact O-N 3.3Å; A339-L343 WeakPolarHBondContact O-CB 3.5Å; A339-L343 WeakPolarHBondContact O-CG 3.46Å; A339-L343 PolarHBondContact O-N 2.93Å |
| 340 | A | 86.8 | Confident | 85.3 | Confident | 3 Ų | 3 | 70.9 Ų | 70.9 | 3% | 0.025 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.7 | -44 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | D336 R338 L343 L344 L359 L362 T396 | D336-A340 WeakPolarHBondContact O-CB 3.38Å; D336-A340 PolarHBondContact O-N 3.03Å; R338-A340 VanDerWaalsContact C-N 3.28Å; R338-A340 PolarHBondContact O-N 3.36Å; A340-L343 PolarHBondContact O-N 3.42Å; A340-L344 WeakPolarHBondContact O-CB 3.35Å; A340-L344 VanDerWaalsContact O-CG 3.24Å; A340-L344 WeakPolarHBondContact O-CG 3.13Å; A340-L344 PolarHBondContact O-N 3.21Å; A340-L359 HydrophobicContact CB-CD2 3.87Å; A340-L362 HydrophobicContact CB-CD1 4.08Å; A340-T396 VanDerWaalsContact CA-CG2 3.42Å; A340-T396 HydrophobicContact CB-CG2 3.23Å |
| 341 | R | 88.8 | Confident | 85 | Confident | 148 Ų | 148 | 68.4 Ų | 68.4 | 56% | 0.558 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.7 | -50.9 | 176.9 | -179.2 | 178.5 | -66.8 | -150.9 | -1.7 | 110.8 | I337 R338 A339 L343 L344 D345 L359 | I337-R341 PolarHBondContact O-N 3.44Å; R338-R341 PolarHBondContact O-N 2.75Å; A339-R341 VanDerWaalsContact C-N 3.35Å; A339-R341 PolarHBondContact O-N 3.23Å; R341-L343 VanDerWaalsContact C-N 3.35Å; R341-L343 PolarHBondContact O-N 2.98Å; R341-L344 PolarHBondContact O-N 2.88Å; R341-D345 WeakPolarHBondContact CG-OD2 3.41Å; R341-D345 WeakPolarHBondContact O-CB 3.31Å; R341-D345 PolarHBondContact O-N 2.88Å; R341-L359 HydrophobicContact CB-CD1 4.06Å; R341-L359 HydrophobicContact CB-CD2 4.22Å; R341-L359 HydrophobicContact CG-CD1 4.16Å |
| 342 | T | 89.6 | Confident | 84.7 | Confident | 82 Ų | 82 | 72.7 Ų | 72.7 | 50% | 0.503 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.8 | -42.2 | -179.4 | -53.9 | 0 | 0 | 0 | 0 | 112.1 | R338 A339 D345 N346 | R338-T342 PolarHBondContact O-N 2.85Å; R338-T342 PolarHBondContact O-OG1 3.39Å; A339-T342 PolarHBondContact O-N 3.3Å; T342-D345 PolarHBondContact O-N 2.92Å; T342-N346 WeakPolarHBondContact O-CB 3.29Å; T342-N346 PolarHBondContact O-N 2.81Å; T342-N346 PolarHBondContact O-ND2 2.91Å |
| 343 | L | 87.4 | Confident | 84.6 | Confident | 64 Ų | 64 | 70 Ų | 70 | 34% | 0.335 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 177.3 | -75.1 | 171 | 0 | 0 | 0 | 112.2 | A339 A340 R341 D345 N346 D347 | A339-L343 WeakPolarHBondContact O-CB 3.5Å; A339-L343 WeakPolarHBondContact O-CG 3.46Å; A339-L343 PolarHBondContact O-N 2.93Å; A340-L343 PolarHBondContact O-N 3.42Å; R341-L343 VanDerWaalsContact C-N 3.35Å; R341-L343 PolarHBondContact O-N 2.98Å; L343-D345 VanDerWaalsContact C-N 3.32Å; L343-D345 PolarHBondContact O-N 3.12Å; L343-N346 PolarHBondContact O-N 3.15Å; L343-D347 WeakPolarHBondContact O-CB 3.05Å; L343-D347 PolarHBondContact O-N 3.2Å |
| 344 | L | 86.9 | Confident | 84.9 | Confident | 4 Ų | 4 | 67.7 Ų | 67.7 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.6 | -36.7 | 177.8 | -73.3 | 169.9 | 0 | 0 | 0 | 112.2 | A340 R341 H348 K355 V358 L359 | A340-L344 WeakPolarHBondContact O-CB 3.35Å; A340-L344 VanDerWaalsContact O-CG 3.24Å; A340-L344 WeakPolarHBondContact O-CG 3.13Å; A340-L344 PolarHBondContact O-N 3.21Å; R341-L344 PolarHBondContact O-N 2.88Å; L344-H348 PolarHBondContact O-N 3.45Å; L344-H348 VanDerWaalsContact O-N 3.15Å; L344-K355 WeakPolarHBondContact O-CE 3.18Å; L344-V358 HydrophobicContact CD1-CG1 3.9Å; L344-L359 HydrophobicContact CD1-CD2 4.16Å; L344-L359 HydrophobicContact CD1-CG 4.35Å |
| 345 | D | 87 | Confident | 85.4 | Confident | 71 Ų | 71 | 65.3 Ų | 65.3 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -71.8 | -34.1 | 176.6 | -73.9 | -29.7 | 0 | 0 | 0 | 113 | R341 T342 L343 K355 | R341-D345 WeakPolarHBondContact CG-OD2 3.41Å; R341-D345 WeakPolarHBondContact O-CB 3.31Å; R341-D345 PolarHBondContact O-N 2.88Å; T342-D345 PolarHBondContact O-N 2.92Å; L343-D345 VanDerWaalsContact C-N 3.32Å; L343-D345 PolarHBondContact O-N 3.12Å; D345-K355 VanDerWaalsContact OD1-CD 3.29Å; D345-K355 WeakPolarHBondContact OD1-CD 3.43Å; D345-K355 WeakPolarHBondContact OD1-CE 3.38Å; D345-K355 IonicContact OD1-NZ 2.72Å; D345-K355 PolarHBondContact OD1-NZ 2.9Å |
| 346 | N | 86.9 | Confident | 86 | Confident | 106 Ų | 106 | 70.9 Ų | 70.9 | 57% | 0.567 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -74.9 | -35.9 | 175.9 | -72.6 | -14.5 | 0 | 0 | 0 | 112.8 | T342 L343 H530 | T342-N346 WeakPolarHBondContact O-CB 3.29Å; T342-N346 PolarHBondContact O-N 2.81Å; T342-N346 PolarHBondContact O-ND2 2.91Å; L343-N346 PolarHBondContact O-N 3.15Å; N346-H530 PolarHBondContact O-CE1 3.43Å |
| 347 | D | 85.2 | Confident | 86.2 | Confident | 41 Ų | 41 | 70.7 Ų | 70.7 | 22% | 0.219 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -81.7 | -26.6 | -177.5 | -77.4 | -11.2 | 0 | 0 | 0 | 112.7 | L343 S392 R395 | L343-D347 WeakPolarHBondContact O-CB 3.05Å; L343-D347 PolarHBondContact O-N 3.2Å; D347-S392 VanDerWaalsContact CB-OG 3.32Å; D347-S392 WeakPolarHBondContact CB-OG 3.28Å; D347-S392 WeakPolarHBondContact OD2-CB 3.3Å; D347-S392 PolarHBondContact OD2-OG 3.39Å; D347-R395 IonicContact OD1-NH1 2.77Å; D347-R395 IonicContact OD2-NH1 3.67Å |
| 348 | H | 85.8 | Confident | 86.2 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 6% | 0.056 | 32% | 0.316 | C | S | . | . | trans | -136.8 | 125.5 | -173.9 | -64.5 | 83.4 | 0 | 0 | 0 | 111.8 | L344 K355 S388 V389 S392 | L344-H348 PolarHBondContact O-N 3.45Å; L344-H348 VanDerWaalsContact O-N 3.15Å; H348-K355 WeakPolarHBondContact O-CE 3.5Å; H348-K355 PolarHBondContact O-NZ 3Å; H348-S388 VanDerWaalsContact CE1-C 3.45Å; H348-S388 PolarHBondContact CE1-O 2.9Å; H348-S388 PolarHBondContact CE1-OG 3.09Å; H348-S388 VanDerWaalsContact NE2-C 3.26Å; H348-S388 WeakPolarHBondContact NE2-CB 3.46Å; H348-S388 PolarHBondContact NE2-OG 3.18Å; H348-V389 PolarHBondContact NE2-N 2.77Å; H348-V389 VanDerWaalsContact NE2-N 3.16Å; H348-S392 PolarHBondContact CE1-OG 3.12Å | ||
| 349 | Y | 84.8 | Confident | 86.2 | Confident | 72 Ų | 72 | 58.9 Ų | 58.9 | 28% | 0.282 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -83.5 | 146.4 | 168.5 | -169.1 | -99.6 | 0 | 0 | 0 | 111.6 | E522 E525 I526 | Y349-E522 HydrophobicContact CD1-CB 4.45Å; Y349-E522 HydrophobicContact CE1-CB 4.28Å; Y349-E522 HydrophobicContact CE1-CG 4.06Å; Y349-E525 HydrophobicContact CD1-CB 3.78Å; Y349-E525 HydrophobicContact CD2-CB 4.29Å; Y349-E525 HydrophobicContact CE1-CB 3.56Å; Y349-E525 HydrophobicContact CE1-CG 4Å; Y349-E525 HydrophobicContact CE2-CB 4.1Å; Y349-E525 HydrophobicContact CE2-CG 4.29Å; Y349-E525 HydrophobicContact CG-CB 4.14Å; Y349-I526 HydrophobicContact CD1-CG1 4.11Å; Y349-I526 HydrophobicContact CG-CG1 4.39Å |
| 350 | A | 79.3 | Confident | 86.3 | Confident | 15 Ų | 15 | 60.4 Ų | 60.4 | 12% | 0.124 | 28% | 0.283 | C | S | . | . | S | Bend | trans | 61 | -155.3 | -174 | 0 | 0 | 0 | 0 | 0 | 113.8 | K355 E522 | A350-K355 WeakPolarHBondContact O-CE 3.46Å; A350-K355 PolarHBondContact O-NZ 2.97Å; A350-K355 VanDerWaalsContact O-NZ 3.12Å; A350-E522 HydrophobicContact CB-CG 4.22Å |
| 351 | M | 82.1 | Confident | 86.1 | Confident | 24 Ų | 24 | 62.1 Ų | 62.1 | 12% | 0.118 | 29% | 0.289 | C | S | . | . | trans | 68.5 | 34.4 | 176.3 | -44.7 | 170.8 | 103.7 | 0 | 0 | 115.3 | K353 L354 K355 V384 V389 V515 Y518 | M351-K353 VanDerWaalsContact C-N 3.31Å; M351-K353 PolarHBondContact O-N 2.98Å; M351-L354 HydrophobicContact CB-CB 4.31Å; M351-L354 PolarHBondContact O-N 3.37Å; M351-K355 PolarHBondContact O-N 2.82Å; M351-V384 WeakPolarHBondContact CE-O 3.46Å; M351-V389 HydrophobicContact CE-CG2 4.27Å; M351-V389 HydrophobicContact SD-CG2 4.22Å; M351-V515 HydrophobicContact CE-CB 4.44Å; M351-V515 HydrophobicContact CE-CG1 3.15Å; M351-V515 HydrophobicContact CE-CG2 4.49Å; M351-Y518 HydrophobicContact CG-CE1 4.18Å | ||
| 352 | D | 82.6 | Confident | 85.8 | Confident | 117 Ų | 117 | 55.5 Ų | 55.5 | 63% | 0.626 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -56 | -41.3 | -173.6 | -55.8 | -45.9 | 0 | 0 | 0 | 113.8 | L354 K355 R356 | D352-L354 VanDerWaalsContact C-N 3.32Å; D352-L354 PolarHBondContact O-N 2.86Å; D352-K355 PolarHBondContact O-N 3.33Å; D352-R356 WeakPolarHBondContact O-CB 3.29Å; D352-R356 PolarHBondContact O-N 2.85Å |
| 353 | K | 83.6 | Confident | 85.6 | Confident | 141 Ų | 141 | 53 Ų | 53 | 61% | 0.613 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -58.8 | -44 | 176.3 | -69.4 | -170.8 | 179.3 | -173.3 | 0 | 111.4 | M351 R357 | M351-K353 VanDerWaalsContact C-N 3.31Å; M351-K353 PolarHBondContact O-N 2.98Å; K353-R357 WeakPolarHBondContact O-CB 3.47Å; K353-R357 PolarHBondContact O-N 2.8Å; K353-R357 VanDerWaalsContact O-N 3.15Å |
| 354 | L | 86.9 | Confident | 85.4 | Confident | 12 Ų | 12 | 54.1 Ų | 54.1 | 6% | 0.063 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.2 | -47.8 | 179 | 179.8 | 147.3 | 0 | 0 | 0 | 110.9 | M351 D352 R356 R357 V358 F378 V389 V515 | M351-L354 HydrophobicContact CB-CB 4.31Å; M351-L354 PolarHBondContact O-N 3.37Å; D352-L354 VanDerWaalsContact C-N 3.32Å; D352-L354 PolarHBondContact O-N 2.86Å; L354-R356 VanDerWaalsContact C-N 3.34Å; L354-R356 PolarHBondContact O-N 3.13Å; L354-R357 PolarHBondContact O-N 2.91Å; L354-R357 VanDerWaalsContact O-N 3.12Å; L354-V358 HydrophobicContact CD2-CG2 3.92Å; L354-V358 HydrophobicContact CG-CG2 4.39Å; L354-V358 WeakPolarHBondContact O-CG2 3.29Å; L354-V358 PolarHBondContact O-N 2.97Å; L354-F378 HydrophobicContact CD1-CD1 3.72Å; L354-F378 HydrophobicContact CD1-CE1 3.86Å; L354-F378 HydrophobicContact CD1-CG 4.25Å; L354-F378 HydrophobicContact CD1-CZ 4.49Å; L354-F378 HydrophobicContact CG-CE1 4.29Å; L354-V389 HydrophobicContact CD1-CG1 4.45Å; L354-V389 HydrophobicContact CD2-CG1 3.52Å; L354-V389 HydrophobicContact CD2-CG2 4.25Å; L354-V515 HydrophobicContact CD1-CG2 3.39Å |
| 355 | K | 88 | Confident | 84.9 | Confident | 18 Ų | 18 | 55 Ų | 55 | 8% | 0.078 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.9 | -45.8 | -179.6 | -70.4 | 176.5 | 176.2 | 174.6 | 0 | 111.4 | L344 D345 H348 A350 M351 D352 R357 V358 L359 | L344-K355 WeakPolarHBondContact O-CE 3.18Å; D345-K355 VanDerWaalsContact OD1-CD 3.29Å; D345-K355 WeakPolarHBondContact OD1-CD 3.43Å; D345-K355 WeakPolarHBondContact OD1-CE 3.38Å; D345-K355 IonicContact OD1-NZ 2.72Å; D345-K355 PolarHBondContact OD1-NZ 2.9Å; H348-K355 WeakPolarHBondContact O-CE 3.5Å; H348-K355 PolarHBondContact O-NZ 3Å; A350-K355 WeakPolarHBondContact O-CE 3.46Å; A350-K355 PolarHBondContact O-NZ 2.97Å; A350-K355 VanDerWaalsContact O-NZ 3.12Å; M351-K355 PolarHBondContact O-N 2.82Å; D352-K355 PolarHBondContact O-N 3.33Å; K355-R357 VanDerWaalsContact C-N 3.29Å; K355-R357 PolarHBondContact O-N 3.06Å; K355-V358 PolarHBondContact O-N 3.1Å; K355-L359 VanDerWaalsContact O-CG 3.29Å; K355-L359 WeakPolarHBondContact O-CG 3.31Å; K355-L359 PolarHBondContact O-N 2.71Å |
| 356 | R | 88.9 | Confident | 84.5 | Confident | 174 Ų | 174 | 56.8 Ų | 56.8 | 66% | 0.657 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -55.9 | -46.1 | 174.8 | -179.8 | 176.9 | 175.8 | 163.6 | 3.9 | 111 | D352 L354 L359 E360 | D352-R356 WeakPolarHBondContact O-CB 3.29Å; D352-R356 PolarHBondContact O-N 2.85Å; L354-R356 VanDerWaalsContact C-N 3.34Å; L354-R356 PolarHBondContact O-N 3.13Å; R356-L359 WeakPolarHBondContact O-CB 3.45Å; R356-L359 PolarHBondContact O-N 2.95Å; R356-E360 IonicContact NE-OE1 3.94Å; R356-E360 PolarHBondContact NE-OE1 3.08Å; R356-E360 WeakPolarHBondContact O-CG 3.44Å; R356-E360 PolarHBondContact O-N 3.13Å |
| 357 | R | 88.2 | Confident | 84.3 | Confident | 77 Ų | 77 | 58.9 Ų | 58.9 | 29% | 0.291 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.5 | -37.6 | -178.3 | -171.1 | 55.7 | -179.2 | 160 | 5.2 | 113.5 | K353 L354 K355 L359 E360 Y361 E511 L513 | K353-R357 WeakPolarHBondContact O-CB 3.47Å; K353-R357 PolarHBondContact O-N 2.8Å; K353-R357 VanDerWaalsContact O-N 3.15Å; L354-R357 PolarHBondContact O-N 2.91Å; L354-R357 VanDerWaalsContact O-N 3.12Å; K355-R357 VanDerWaalsContact C-N 3.29Å; K355-R357 PolarHBondContact O-N 3.06Å; R357-L359 VanDerWaalsContact C-N 3.32Å; R357-E360 WeakPolarHBondContact CD-OE2 3.15Å; R357-E360 IonicContact CZ-OE2 3.45Å; R357-E360 IonicContact NE-OE2 3.99Å; R357-E360 IonicContact NH1-OE2 3.03Å; R357-E360 PolarHBondContact NH1-OE2 3.11Å; R357-E360 WeakPolarHBondContact O-CB 3.49Å; R357-E360 PolarHBondContact O-N 2.98Å; R357-Y361 PolarHBondContact O-N 2.88Å; R357-E511 IonicContact CZ-OE1 3.41Å; R357-E511 IonicContact CZ-OE2 2.78Å; R357-E511 IonicContact NE-OE1 3.2Å; R357-E511 PolarHBondContact NE-OE1 2.86Å; R357-E511 IonicContact NE-OE2 2.8Å; R357-E511 IonicContact NH2-OE1 3.47Å; R357-E511 PolarHBondContact NH2-OE1 2.85Å; R357-E511 IonicContact NH2-OE2 3.72Å; R357-E511 PolarHBondContact NH2-OE2 2.73Å; R357-L513 HydrophobicContact CB-CD1 4.29Å; R357-L513 HydrophobicContact CB-CD2 4.28Å; R357-L513 HydrophobicContact CG-CD1 3.84Å; R357-L513 HydrophobicContact CG-CD2 3.67Å; R357-L513 HydrophobicContact CG-CG 4.41Å |
| 358 | V | 86.5 | Confident | 83.7 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 171.8 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | L344 L354 K355 Y361 L362 F378 I393 | L344-V358 HydrophobicContact CD1-CG1 3.9Å; L354-V358 HydrophobicContact CD2-CG2 3.92Å; L354-V358 HydrophobicContact CG-CG2 4.39Å; L354-V358 WeakPolarHBondContact O-CG2 3.29Å; L354-V358 PolarHBondContact O-N 2.97Å; K355-V358 PolarHBondContact O-N 3.1Å; V358-Y361 WeakPolarHBondContact O-CB 3.21Å; V358-Y361 PolarHBondContact O-N 2.79Å; V358-L362 HydrophobicContact CG1-CD1 4.16Å; V358-L362 VanDerWaalsContact O-CG 3.29Å; V358-L362 WeakPolarHBondContact O-CG 3.17Å; V358-L362 PolarHBondContact O-N 2.86Å; V358-F378 HydrophobicContact CG2-CZ 4.36Å; V358-I393 HydrophobicContact CG1-CD1 3.85Å; V358-I393 HydrophobicContact CG1-CG1 3.71Å; V358-I393 HydrophobicContact CG2-CD1 3.87Å |
| 359 | L | 88.3 | Confident | 82.6 | Confident | 15 Ų | 15 | 69.8 Ų | 69.8 | 8% | 0.079 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64 | -40.3 | 175.6 | -69.2 | 170.8 | 0 | 0 | 0 | 112.2 | I337 A340 R341 L344 K355 R356 R357 Y361 L362 A363 | I337-L359 HydrophobicContact CG2-CD2 4.15Å; A340-L359 HydrophobicContact CB-CD2 3.87Å; R341-L359 HydrophobicContact CB-CD1 4.06Å; R341-L359 HydrophobicContact CB-CD2 4.22Å; R341-L359 HydrophobicContact CG-CD1 4.16Å; L344-L359 HydrophobicContact CD1-CD2 4.16Å; L344-L359 HydrophobicContact CD1-CG 4.35Å; K355-L359 VanDerWaalsContact O-CG 3.29Å; K355-L359 WeakPolarHBondContact O-CG 3.31Å; K355-L359 PolarHBondContact O-N 2.71Å; R356-L359 WeakPolarHBondContact O-CB 3.45Å; R356-L359 PolarHBondContact O-N 2.95Å; R357-L359 VanDerWaalsContact C-N 3.32Å; L359-Y361 VanDerWaalsContact C-N 3.35Å; L359-L362 PolarHBondContact O-N 2.68Å; L359-A363 WeakPolarHBondContact O-CB 3.35Å; L359-A363 PolarHBondContact O-N 3.43Å |
| 360 | E | 88.3 | Confident | 81.7 | Confident | 71 Ų | 71 | 69.8 Ų | 69.8 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 173.5 | -72.5 | 169.3 | -169.5 | 0 | 0 | 111.4 | R356 R357 A363 V364 | R356-E360 IonicContact NE-OE1 3.94Å; R356-E360 PolarHBondContact NE-OE1 3.08Å; R356-E360 WeakPolarHBondContact O-CG 3.44Å; R356-E360 PolarHBondContact O-N 3.13Å; R357-E360 WeakPolarHBondContact CD-OE2 3.15Å; R357-E360 IonicContact CZ-OE2 3.45Å; R357-E360 IonicContact NE-OE2 3.99Å; R357-E360 IonicContact NH1-OE2 3.03Å; R357-E360 PolarHBondContact NH1-OE2 3.11Å; R357-E360 WeakPolarHBondContact O-CB 3.49Å; R357-E360 PolarHBondContact O-N 2.98Å; E360-A363 PolarHBondContact O-N 3.2Å; E360-V364 WeakPolarHBondContact O-CG2 3.47Å; E360-V364 PolarHBondContact O-N 3.29Å |
| 361 | Y | 83.8 | Confident | 80.9 | Confident | 39 Ų | 39 | 71 Ų | 71 | 15% | 0.153 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 175.5 | 178.4 | -94.1 | 0 | 0 | 0 | 111.9 | R357 V358 L359 A363 V364 R365 L376 L491 | R357-Y361 PolarHBondContact O-N 2.88Å; V358-Y361 WeakPolarHBondContact O-CB 3.21Å; V358-Y361 PolarHBondContact O-N 2.79Å; L359-Y361 VanDerWaalsContact C-N 3.35Å; Y361-A363 VanDerWaalsContact C-N 3.33Å; Y361-A363 PolarHBondContact O-N 2.85Å; Y361-V364 PolarHBondContact O-N 3.04Å; Y361-R365 PolarHBondContact O-N 3.01Å; Y361-R365 VanDerWaalsContact O-N 3.11Å; Y361-L376 HydrophobicContact CD1-CD1 3.99Å; Y361-L376 HydrophobicContact CD2-CD1 4.2Å; Y361-L376 HydrophobicContact CD2-CD2 4.15Å; Y361-L376 HydrophobicContact CD2-CG 4.23Å; Y361-L376 HydrophobicContact CE1-CD1 4.35Å; Y361-L376 HydrophobicContact CE2-CG 4.42Å; Y361-L376 HydrophobicContact CG-CD1 3.92Å; Y361-L376 HydrophobicContact CG-CD2 4.46Å; Y361-L376 HydrophobicContact CG-CG 4.44Å; Y361-L491 HydrophobicContact CE1-CD1 3.97Å; Y361-L491 WeakPolarHBondContact OH-CD1 3.48Å |
| 362 | L | 81.8 | Confident | 80.1 | Confident | 8 Ų | 8 | 77.8 Ų | 77.8 | 4% | 0.042 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.9 | -39.2 | 176.4 | -68.7 | 173.7 | 0 | 0 | 0 | 112 | A340 V358 L359 R365 Q366 T396 L397 | A340-L362 HydrophobicContact CB-CD1 4.08Å; V358-L362 HydrophobicContact CG1-CD1 4.16Å; V358-L362 VanDerWaalsContact O-CG 3.29Å; V358-L362 WeakPolarHBondContact O-CG 3.17Å; V358-L362 PolarHBondContact O-N 2.86Å; L359-L362 PolarHBondContact O-N 2.68Å; L362-R365 PolarHBondContact O-N 3.32Å; L362-Q366 PolarHBondContact O-N 2.6Å; L362-T396 HydrophobicContact CD1-CG2 4.38Å; L362-L397 HydrophobicContact CD2-CD1 4.2Å; L362-L397 HydrophobicContact CD2-CD2 3.49Å; L362-L397 VanDerWaalsContact CD2-CD2 3.49Å; L362-L397 HydrophobicContact CD2-CG 3.92Å |
| 363 | A | 85.2 | Confident | 79.4 | Confident | 29 Ų | 29 | 73.8 Ų | 73.8 | 24% | 0.24 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I337 L359 E360 Y361 R365 Q366 L367 | I337-A363 HydrophobicContact CD1-CB 3.7Å; L359-A363 WeakPolarHBondContact O-CB 3.35Å; L359-A363 PolarHBondContact O-N 3.43Å; E360-A363 PolarHBondContact O-N 3.2Å; Y361-A363 VanDerWaalsContact C-N 3.33Å; Y361-A363 PolarHBondContact O-N 2.85Å; A363-R365 PolarHBondContact O-N 3.45Å; A363-Q366 WeakPolarHBondContact O-CB 3.5Å; A363-Q366 PolarHBondContact O-N 2.72Å; A363-L367 PolarHBondContact O-N 3.37Å |
| 364 | V | 83.5 | Confident | 79 | Confident | 88 Ų | 88 | 70.3 Ų | 70.3 | 53% | 0.533 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 175.1 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | E360 Y361 L367 K368 | E360-V364 WeakPolarHBondContact O-CG2 3.47Å; E360-V364 PolarHBondContact O-N 3.29Å; Y361-V364 PolarHBondContact O-N 3.04Å; V364-L367 PolarHBondContact O-N 2.86Å; V364-K368 PolarHBondContact O-N 3.21Å |
| 365 | R | 77.6 | Confident | 79 | Confident | 23 Ų | 23 | 70.5 Ų | 70.5 | 9% | 0.087 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -70.6 | -30.3 | 176.6 | -177.2 | 170 | 161.4 | -156.3 | -17.5 | 113.6 | D333 Y361 L362 A363 L367 K368 L397 | D333-R365 VanDerWaalsContact CG-NH2 3.33Å; D333-R365 IonicContact OD1-NH2 3.8Å; D333-R365 IonicContact OD2-CZ 2.62Å; D333-R365 IonicContact OD2-NH2 3.92Å; D333-R365 PolarHBondContact OD2-NH2 2.82Å; Y361-R365 PolarHBondContact O-N 3.01Å; Y361-R365 VanDerWaalsContact O-N 3.11Å; L362-R365 PolarHBondContact O-N 3.32Å; A363-R365 PolarHBondContact O-N 3.45Å; R365-L367 PolarHBondContact O-N 2.71Å; R365-K368 CarbonylContact C-O 3.58Å; R365-K368 CarbonylContact O-C 3.38Å; R365-L397 VanDerWaalsContact NH1-CD1 3.31Å |
| 366 | Q | 78.4 | Confident | 79.2 | Confident | 108 Ų | 108 | 69.8 Ų | 69.8 | 51% | 0.505 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.7 | -32.3 | 170.5 | -167.7 | 178.6 | 11.8 | 0 | 0 | 111.4 | L335 L362 A363 | L335-Q366 HydrophobicContact CB-CG 4.43Å; L335-Q366 PolarHBondContact O-NE2 3.44Å; L362-Q366 PolarHBondContact O-N 2.6Å; A363-Q366 WeakPolarHBondContact O-CB 3.5Å; A363-Q366 PolarHBondContact O-N 2.72Å |
| 367 | L | 80.9 | Confident | 79.4 | Confident | 150 Ų | 150 | 61.5 Ų | 61.5 | 79% | 0.785 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -83.5 | -31.2 | 178.5 | -64.1 | 172.8 | 0 | 0 | 0 | 113.6 | A363 V364 R365 | A363-L367 PolarHBondContact O-N 3.37Å; V364-L367 PolarHBondContact O-N 2.86Å; R365-L367 PolarHBondContact O-N 2.71Å |
| 368 | K | 74.3 | Confident | 79.6 | Confident | 139 Ų | 139 | 57.8 Ų | 57.8 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | trans | -125 | 120.9 | 179 | -76.1 | -172.7 | 178 | -179.9 | 0 | 111.3 | V364 R365 S370 | V364-K368 PolarHBondContact O-N 3.21Å; R365-K368 CarbonylContact C-O 3.58Å; R365-K368 CarbonylContact O-C 3.38Å; K368-S370 PolarHBondContact O-N 3.26Å | ||
| 369 | T | 62.8 | Low | 79.8 | Confident | 144 Ų | 144 | 58.3 Ų | 58.3 | 88% | 0.883 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -70.1 | -14.7 | 176.9 | -28.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 370 | S | 64.9 | Low | 79.8 | Confident | 72 Ų | 72 | 57.9 Ų | 57.9 | 50% | 0.503 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -93.8 | 131.9 | -179.2 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | K368 K372 | K368-S370 PolarHBondContact O-N 3.26Å; S370-K372 PolarHBondContact O-N 3.47Å |
| 371 | L | 63.4 | Low | 79.5 | Confident | 41 Ų | 41 | 55.2 Ų | 55.2 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | trans | -76.4 | 24 | 178.5 | -75.5 | 159.9 | 0 | 0 | 0 | 113.6 | G373 S488 L491 | L371-G373 PolarHBondContact O-N 3.08Å; L371-S488 WeakPolarHBondContact CD1-O 3.4Å; L371-L491 HydrophobicContact CD2-CD1 4.29Å | ||
| 372 | K | 64.6 | Low | 79.6 | Confident | 166 Ų | 166 | 55.6 Ų | 55.6 | 72% | 0.722 | 31% | 0.311 | S | S | * | . | trans | -76.1 | 77.4 | 177.2 | -66.5 | -169 | 178.9 | -167.9 | 0 | 109.7 | S370 P470 | S370-K372 PolarHBondContact O-N 3.47Å; K372-P470 HydrophobicContact CG-CB 4.32Å | ||
| 373 | G | 66.8 | Low | 79.8 | Confident | 33 Ų | 33 | 56.4 Ų | 56.4 | 34% | 0.34 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -149.5 | 162.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L371 | L371-G373 PolarHBondContact O-N 3.08Š|
| 374 | P | 77.1 | Confident | 79.9 | Confident | 67 Ų | 67 | 55 Ų | 55 | 44% | 0.435 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 149.3 | 176.3 | 29.7 | -35.2 | 0 | 0 | 0 | 110.6 | E511 | P374-E511 HydrophobicContact CB-CB 4.05Å; P374-E511 HydrophobicContact CG-CB 4.12Å |
| 375 | I | 86.8 | Confident | 80 | Confident | 16 Ų | 16 | 52 Ų | 52 | 8% | 0.082 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 131.2 | -178.9 | -68.6 | 149.8 | 0 | 0 | 0 | 109.4 | C377 L468 F492 R509 M510 E511 | I375-C377 PolarHBondContact O-N 3.39Å; I375-L468 HydrophobicContact CD1-CB 3.42Å; I375-L468 VanDerWaalsContact CD1-CB 3.42Å; I375-L468 HydrophobicContact CD1-CD1 4.06Å; I375-L468 HydrophobicContact CD1-CD2 3.41Å; I375-L468 VanDerWaalsContact CD1-CD2 3.41Å; I375-L468 HydrophobicContact CD1-CG 3.76Å; I375-L468 HydrophobicContact CG1-CD2 4.33Å; I375-F492 HydrophobicContact CG2-CB 4.28Å; I375-R509 PolarHBondContact N-O 2.86Å; I375-R509 VanDerWaalsContact N-O 3.12Å; I375-M510 HydrophobicContact CB-CG 4.38Å; I375-M510 CarbonylContact O-C 3.6Å; I375-M510 VanDerWaalsContact O-CA 3.31Å; I375-M510 WeakPolarHBondContact O-CA 3.37Å; I375-E511 PolarHBondContact O-N 2.95Å |
| 376 | L | 90.8 | Very high | 80.6 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 122.9 | 177 | -61.9 | 176.5 | 0 | 0 | 0 | 110 | Y361 F378 A494 L513 | Y361-L376 HydrophobicContact CD1-CD1 3.99Å; Y361-L376 HydrophobicContact CD2-CD1 4.2Å; Y361-L376 HydrophobicContact CD2-CD2 4.15Å; Y361-L376 HydrophobicContact CD2-CG 4.23Å; Y361-L376 HydrophobicContact CE1-CD1 4.35Å; Y361-L376 HydrophobicContact CE2-CG 4.42Å; Y361-L376 HydrophobicContact CG-CD1 3.92Å; Y361-L376 HydrophobicContact CG-CD2 4.46Å; Y361-L376 HydrophobicContact CG-CG 4.44Å; L376-F378 HydrophobicContact CB-CE1 4.38Å; L376-A494 PolarHBondContact O-N 3.04Å; L376-L513 HydrophobicContact CD2-CD1 3.99Å |
| 377 | C | 93.1 | Very high | 81.1 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 110 | 176.1 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | I375 A494 M510 E511 L513 | I375-C377 PolarHBondContact O-N 3.39Å; C377-A494 CarbonylContact C-O 3.59Å; C377-A494 WeakPolarHBondContact CA-O 3.25Å; C377-A494 HydrophobicContact CB-CB 4.13Å; C377-M510 HydrophobicContact CB-CB 3.89Å; C377-M510 HydrophobicContact CB-CG 4.15Å; C377-M510 HydrophobicContact CB-SD 3.91Å; C377-E511 PolarHBondContact N-O 3.01Å; C377-L513 PolarHBondContact O-N 2.82Å |
| 378 | F | 93.6 | Very high | 81.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 116.6 | 177.3 | -54 | -39.8 | 0 | 0 | 0 | 110.5 | L354 V358 L376 K386 V389 I393 I493 A494 T495 A496 L513 V515 | L354-F378 HydrophobicContact CD1-CD1 3.72Å; L354-F378 HydrophobicContact CD1-CE1 3.86Å; L354-F378 HydrophobicContact CD1-CG 4.25Å; L354-F378 HydrophobicContact CD1-CZ 4.49Å; L354-F378 HydrophobicContact CG-CE1 4.29Å; V358-F378 HydrophobicContact CG2-CZ 4.36Å; L376-F378 HydrophobicContact CB-CE1 4.38Å; F378-K386 HydrophobicContact CB-CB 4.28Å; F378-K386 HydrophobicContact CB-CD 4.16Å; F378-K386 HydrophobicContact CB-CG 4.29Å; F378-K386 WeakPolarHBondContact O-CD 3.39Å; F378-V389 HydrophobicContact CD2-CG1 4.49Å; F378-V389 HydrophobicContact CE2-CB 4.38Å; F378-V389 HydrophobicContact CE2-CG1 3.75Å; F378-V389 HydrophobicContact CZ-CG1 3.91Å; F378-I393 HydrophobicContact CE2-CD1 4.26Å; F378-I393 HydrophobicContact CZ-CD1 3.85Å; F378-I493 HydrophobicContact CD2-CG2 3.93Å; F378-I493 HydrophobicContact CE2-CG2 3.5Å; F378-I493 HydrophobicContact CZ-CG2 4.06Å; F378-A494 PolarHBondContact N-O 3.23Å; F378-T495 HydrophobicContact CB-CG2 4.29Å; F378-T495 HydrophobicContact CD2-CG2 4.16Å; F378-T495 CarbonylContact O-C 3.24Å; F378-T495 VanDerWaalsContact O-CA 3.31Å; F378-T495 WeakPolarHBondContact O-CA 3.32Å; F378-A496 PolarHBondContact O-N 3.17Å; F378-L513 HydrophobicContact CD1-CB 4.11Å; F378-L513 HydrophobicContact CD1-CD1 4.16Å; F378-L513 HydrophobicContact CE1-CD1 3.84Å; F378-V515 HydrophobicContact CB-CG2 4.31Å |
| 379 | V | 90.6 | Very high | 82.2 | Confident | 12 Ų | 12 | 37.4 Ų | 37.4 | 7% | 0.073 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 129.1 | -179.8 | -175.6 | 0 | 0 | 0 | 0 | 110.2 | A496 T499 V512 L513 Q514 V515 | V379-A496 WeakPolarHBondContact CA-O 3.36Å; V379-A496 HydrophobicContact CG2-CB 4.19Å; V379-T499 HydrophobicContact CB-CG2 4.46Å; V379-T499 HydrophobicContact CG1-CG2 4.1Å; V379-T499 HydrophobicContact CG2-CG2 3.95Å; V379-V512 HydrophobicContact CB-CG1 4.28Å; V379-V512 HydrophobicContact CG2-CG1 3.69Å; V379-L513 PolarHBondContact N-O 3.47Å; V379-Q514 CarbonylContact O-C 3.53Å; V379-Q514 WeakPolarHBondContact O-CA 3.49Å; V379-V515 PolarHBondContact O-N 3.34Å |
| 380 | G | 87.1 | Confident | 83.4 | Confident | 7 Ų | 7 | 30.6 Ų | 30.6 | 7% | 0.072 | 20% | 0.195 | C | C | . | . | trans | 176.2 | 175.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K386 A496 N497 V515 | G380-K386 PolarHBondContact O-NZ 2.77Å; G380-A496 PolarHBondContact N-O 3.02Å; G380-N497 VanDerWaalsContact O-CA 3.29Å; G380-N497 WeakPolarHBondContact O-CA 3.4Å; G380-N497 PolarHBondContact O-OD1 3.34Å; G380-V515 WeakPolarHBondContact CA-O 3.33Å | ||
| 381 | P | 83.1 | Confident | 84.7 | Confident | 15 Ų | 15 | 34 Ų | 34 | 10% | 0.097 | 20% | 0.197 | C | C | . | . | trans | -61.9 | 161.4 | -179.8 | 21.4 | -26.2 | 0 | 0 | 0 | 112.2 | V384 K386 V515 A564 | P381-V384 HydrophobicContact CB-CG1 4.5Å; P381-V384 HydrophobicContact CG-CG1 3.73Å; P381-V384 WeakPolarHBondContact O-CG2 3.44Å; P381-K386 PolarHBondContact O-NZ 3.45Å; P381-V515 WeakPolarHBondContact CD-O 3.35Å; P381-A564 HydrophobicContact CB-CB 3.97Å; P381-A564 HydrophobicContact CG-CB 3.68Å | ||
| 382 | P | 86.1 | Confident | 85.9 | Confident | 46 Ų | 46 | 32.3 Ų | 32.3 | 30% | 0.299 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | 146.1 | 177.6 | 27 | -34.4 | 0 | 0 | 0 | 111.2 | L651 | P382-L651 HydrophobicContact CG-CD2 4.23Š|
| 383 | G | 85.3 | Confident | 87.1 | Confident | 25 Ų | 25 | 24.5 Ų | 24.5 | 26% | 0.258 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81 | 12.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | G385 G565 V566 | G383-G385 VanDerWaalsContact C-N 3.31Å; G383-G565 WeakPolarHBondContact O-CA 3.3Å; G383-V566 WeakPolarHBondContact O-CG2 3.47Å; G383-V566 PolarHBondContact O-N 2.88Å |
| 384 | V | 86.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -88.6 | 16.5 | 173.5 | -57.4 | 0 | 0 | 0 | 0 | 114 | M351 P381 K386 V515 Y518 | M351-V384 WeakPolarHBondContact CE-O 3.46Å; P381-V384 HydrophobicContact CB-CG1 4.5Å; P381-V384 HydrophobicContact CG-CG1 3.73Å; P381-V384 WeakPolarHBondContact O-CG2 3.44Å; V384-K386 HydrophobicContact CG2-CD 4.14Å; V384-K386 HydrophobicContact CG2-CG 3.57Å; V384-K386 PolarHBondContact O-N 3.34Å; V384-V515 HydrophobicContact CB-CG1 3.89Å; V384-V515 HydrophobicContact CG2-CB 4.08Å; V384-V515 HydrophobicContact CG2-CG1 3.5Å; V384-Y518 HydrophobicContact CB-CE2 4.2Å; V384-Y518 HydrophobicContact CG1-CE2 4.43Å; V384-Y518 PolarHBondContact O-OH 3.25Å |
| 385 | G | 86.8 | Confident | 88.8 | Confident | 26 Ų | 26 | 27.4 Ų | 27.4 | 27% | 0.268 | 15% | 0.147 | S | C | . | . | S | Bend | trans | 76.8 | 11.9 | 175 | 0 | 0 | 0 | 0 | 0 | 117.2 | G383 T387 S388 V389 | G383-G385 VanDerWaalsContact C-N 3.31Å; G385-T387 VanDerWaalsContact C-N 3.3Å; G385-T387 PolarHBondContact O-N 3.4Å; G385-S388 WeakPolarHBondContact O-CA 3.38Å; G385-S388 WeakPolarHBondContact O-CB 3.19Å; G385-S388 PolarHBondContact O-N 3.46Å; G385-V389 WeakPolarHBondContact O-CG2 3.27Å; G385-V389 PolarHBondContact O-N 3.31Å |
| 386 | K | 90 | Very high | 88.8 | Confident | 15 Ų | 15 | 27.3 Ų | 27.3 | 7% | 0.065 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -49.8 | -45.7 | -179.8 | -54.9 | -172.4 | -69.5 | -93.2 | 0 | 113.9 | F378 G380 P381 V384 V389 G390 T495 A496 N497 | F378-K386 HydrophobicContact CB-CB 4.28Å; F378-K386 HydrophobicContact CB-CD 4.16Å; F378-K386 HydrophobicContact CB-CG 4.29Å; F378-K386 WeakPolarHBondContact O-CD 3.39Å; G380-K386 PolarHBondContact O-NZ 2.77Å; P381-K386 PolarHBondContact O-NZ 3.45Å; V384-K386 HydrophobicContact CG2-CD 4.14Å; V384-K386 HydrophobicContact CG2-CG 3.57Å; V384-K386 PolarHBondContact O-N 3.34Å; K386-V389 PolarHBondContact O-N 2.86Å; K386-G390 PolarHBondContact O-N 3.35Å; K386-T495 HydrophobicContact CB-CG2 3.98Å; K386-A496 VanDerWaalsContact CE-O 3.29Å; K386-A496 WeakPolarHBondContact CE-O 3.38Å; K386-N497 PolarHBondContact NZ-OD1 2.94Å; K386-N497 VanDerWaalsContact NZ-OD1 3.13Å |
| 387 | T | 89.6 | Confident | 88.6 | Confident | 42 Ų | 42 | 27.2 Ų | 27.2 | 26% | 0.258 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -67.3 | -36.4 | 178.1 | -43.9 | 0 | 0 | 0 | 0 | 112.3 | G385 G390 R391 L445 | G385-T387 VanDerWaalsContact C-N 3.3Å; G385-T387 PolarHBondContact O-N 3.4Å; T387-G390 PolarHBondContact O-N 2.92Å; T387-R391 PolarHBondContact O-N 3.45Å; T387-L445 HydrophobicContact CG2-CD2 3.47Å; T387-L445 VanDerWaalsContact CG2-CD2 3.47Å |
| 388 | S | 88.6 | Confident | 88.3 | Confident | 54 Ų | 54 | 29 Ų | 29 | 38% | 0.378 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.9 | -41.7 | 178.3 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | H348 G385 G390 R391 S392 | H348-S388 VanDerWaalsContact CE1-C 3.45Å; H348-S388 PolarHBondContact CE1-O 2.9Å; H348-S388 PolarHBondContact CE1-OG 3.09Å; H348-S388 VanDerWaalsContact NE2-C 3.26Å; H348-S388 WeakPolarHBondContact NE2-CB 3.46Å; H348-S388 PolarHBondContact NE2-OG 3.18Å; G385-S388 WeakPolarHBondContact O-CA 3.38Å; G385-S388 WeakPolarHBondContact O-CB 3.19Å; G385-S388 PolarHBondContact O-N 3.46Å; S388-G390 VanDerWaalsContact C-N 3.35Å; S388-G390 PolarHBondContact O-N 3.22Å; S388-R391 WeakPolarHBondContact O-CB 3.38Å; S388-R391 PolarHBondContact O-N 3.01Å; S388-R391 VanDerWaalsContact O-N 3.08Å; S388-S392 PolarHBondContact O-N 3.05Å |
| 389 | V | 88.4 | Confident | 88.2 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.4 | -46.1 | 174.8 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | H348 M351 L354 F378 G385 K386 R391 S392 I393 | H348-V389 PolarHBondContact NE2-N 2.77Å; H348-V389 VanDerWaalsContact NE2-N 3.16Å; M351-V389 HydrophobicContact CE-CG2 4.27Å; M351-V389 HydrophobicContact SD-CG2 4.22Å; L354-V389 HydrophobicContact CD1-CG1 4.45Å; L354-V389 HydrophobicContact CD2-CG1 3.52Å; L354-V389 HydrophobicContact CD2-CG2 4.25Å; F378-V389 HydrophobicContact CD2-CG1 4.49Å; F378-V389 HydrophobicContact CE2-CB 4.38Å; F378-V389 HydrophobicContact CE2-CG1 3.75Å; F378-V389 HydrophobicContact CZ-CG1 3.91Å; G385-V389 WeakPolarHBondContact O-CG2 3.27Å; G385-V389 PolarHBondContact O-N 3.31Å; K386-V389 PolarHBondContact O-N 2.86Å; V389-R391 VanDerWaalsContact C-N 3.26Å; V389-R391 PolarHBondContact O-N 3.48Å; V389-S392 PolarHBondContact O-N 2.92Å; V389-I393 HydrophobicContact CG1-CD1 3.99Å; V389-I393 WeakPolarHBondContact O-CG1 3.41Å; V389-I393 PolarHBondContact O-N 3.37Å |
| 390 | G | 89.4 | Confident | 88.4 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.1 | -37.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | K386 T387 S388 A394 | K386-G390 PolarHBondContact O-N 3.35Å; T387-G390 PolarHBondContact O-N 2.92Å; S388-G390 VanDerWaalsContact C-N 3.35Å; S388-G390 PolarHBondContact O-N 3.22Å; G390-A394 PolarHBondContact O-N 2.94Å |
| 391 | R | 90.9 | Very high | 88.7 | Confident | 143 Ų | 143 | 35.8 Ų | 35.8 | 54% | 0.54 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -68.7 | -42.8 | 175.8 | -174.5 | -176.8 | -66.8 | 170.8 | -2.8 | 112.1 | T387 S388 V389 I393 A394 R395 F401 | T387-R391 PolarHBondContact O-N 3.45Å; S388-R391 WeakPolarHBondContact O-CB 3.38Å; S388-R391 PolarHBondContact O-N 3.01Å; S388-R391 VanDerWaalsContact O-N 3.08Å; V389-R391 VanDerWaalsContact C-N 3.26Å; V389-R391 PolarHBondContact O-N 3.48Å; R391-I393 VanDerWaalsContact C-N 3.3Å; R391-I393 PolarHBondContact O-N 3.28Å; R391-A394 PolarHBondContact O-N 3.34Å; R391-R395 PolarHBondContact O-N 3.36Å; R391-F401 HydrophobicContact CB-CD2 4.35Å; R391-F401 HydrophobicContact CB-CE1 4.4Å; R391-F401 HydrophobicContact CB-CE2 4.23Å; R391-F401 HydrophobicContact CB-CG 4.47Å; R391-F401 HydrophobicContact CB-CZ 4.25Å; R391-F401 HydrophobicContact CG-CD1 4.37Å; R391-F401 HydrophobicContact CG-CG 4.41Å |
| 392 | S | 89.7 | Confident | 89.3 | Confident | 6 Ų | 6 | 37.4 Ų | 37.4 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.6 | -34 | 176.9 | -68.2 | 0 | 0 | 0 | 0 | 112.4 | D347 H348 S388 V389 R395 T396 | D347-S392 VanDerWaalsContact CB-OG 3.32Å; D347-S392 WeakPolarHBondContact CB-OG 3.28Å; D347-S392 WeakPolarHBondContact OD2-CB 3.3Å; D347-S392 PolarHBondContact OD2-OG 3.39Å; H348-S392 PolarHBondContact CE1-OG 3.12Å; S388-S392 PolarHBondContact O-N 3.05Å; V389-S392 PolarHBondContact O-N 2.92Å; S392-R395 PolarHBondContact O-N 2.95Å; S392-T396 VanDerWaalsContact O-CB 3.25Å; S392-T396 WeakPolarHBondContact O-CB 3.44Å; S392-T396 PolarHBondContact O-N 3.21Å; S392-T396 PolarHBondContact O-OG1 2.76Å |
| 393 | I | 88.9 | Confident | 89.7 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.2 | -45.5 | 172.3 | -68.7 | 166.9 | 0 | 0 | 0 | 110.6 | V358 F378 V389 R391 T396 L397 L491 I493 | V358-I393 HydrophobicContact CG1-CD1 3.85Å; V358-I393 HydrophobicContact CG1-CG1 3.71Å; V358-I393 HydrophobicContact CG2-CD1 3.87Å; F378-I393 HydrophobicContact CE2-CD1 4.26Å; F378-I393 HydrophobicContact CZ-CD1 3.85Å; V389-I393 HydrophobicContact CG1-CD1 3.99Å; V389-I393 WeakPolarHBondContact O-CG1 3.41Å; V389-I393 PolarHBondContact O-N 3.37Å; R391-I393 VanDerWaalsContact C-N 3.3Å; R391-I393 PolarHBondContact O-N 3.28Å; I393-T396 PolarHBondContact O-N 3.11Å; I393-L397 HydrophobicContact CG2-CD1 3.88Å; I393-L397 WeakPolarHBondContact O-CB 3.42Å; I393-L397 WeakPolarHBondContact O-CG 3.47Å; I393-L397 PolarHBondContact O-N 3.05Å; I393-L491 HydrophobicContact CG2-CD2 4.38Å; I393-I493 HydrophobicContact CB-CD1 4.33Å; I393-I493 HydrophobicContact CD1-CD1 4Å; I393-I493 HydrophobicContact CG2-CD1 4.07Å |
| 394 | A | 90.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.2 | -46 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G390 R391 T396 L397 G398 R399 F401 V443 | G390-A394 PolarHBondContact O-N 2.94Å; R391-A394 PolarHBondContact O-N 3.34Å; A394-T396 VanDerWaalsContact C-N 3.32Å; A394-T396 PolarHBondContact O-N 2.89Å; A394-L397 PolarHBondContact O-N 3.44Å; A394-G398 PolarHBondContact O-N 3.08Å; A394-R399 CarbonylContact C-O 3.54Å; A394-R399 PolarHBondContact O-N 2.91Å; A394-F401 HydrophobicContact CB-CB 3.74Å; A394-F401 HydrophobicContact CB-CD2 3.92Å; A394-F401 HydrophobicContact CB-CG 4.28Å; A394-V443 HydrophobicContact CB-CB 3.83Å; A394-V443 HydrophobicContact CB-CG1 4.31Å; A394-V443 HydrophobicContact CB-CG2 3.72Å |
| 395 | R | 89.1 | Confident | 90.4 | Very high | 160 Ų | 160 | 42.9 Ų | 42.9 | 60% | 0.604 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -59 | -43.5 | 175.7 | -178.9 | -177.5 | -80.5 | 175.1 | -9.1 | 111.8 | D347 R391 S392 L397 G398 | D347-R395 IonicContact OD1-NH1 2.77Å; D347-R395 IonicContact OD2-NH1 3.67Å; R391-R395 PolarHBondContact O-N 3.36Å; S392-R395 PolarHBondContact O-N 2.95Å; R395-L397 VanDerWaalsContact C-N 3.32Å; R395-L397 PolarHBondContact O-N 3.27Å; R395-G398 PolarHBondContact O-N 3.28Å; R395-G398 VanDerWaalsContact O-N 3.17Å |
| 396 | T | 87.2 | Confident | 90.5 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 8% | 0.08 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.7 | -40 | 178 | -62.5 | 0 | 0 | 0 | 0 | 111.9 | A340 L362 S392 I393 A394 G398 | A340-T396 VanDerWaalsContact CA-CG2 3.42Å; A340-T396 HydrophobicContact CB-CG2 3.23Å; L362-T396 HydrophobicContact CD1-CG2 4.38Å; S392-T396 VanDerWaalsContact O-CB 3.25Å; S392-T396 WeakPolarHBondContact O-CB 3.44Å; S392-T396 PolarHBondContact O-N 3.21Å; S392-T396 PolarHBondContact O-OG1 2.76Å; I393-T396 PolarHBondContact O-N 3.11Å; A394-T396 VanDerWaalsContact C-N 3.32Å; A394-T396 PolarHBondContact O-N 2.89Å; T396-G398 VanDerWaalsContact C-N 3.26Å; T396-G398 PolarHBondContact O-N 3.21Å |
| 397 | L | 85.6 | Confident | 90.3 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -75.2 | -12.8 | 177.3 | -75.2 | 169.4 | 0 | 0 | 0 | 113.8 | C334 L335 L362 R365 I393 A394 R395 R399 V443 L491 | C334-L397 PolarHBondContact N-O 3.48Å; L335-L397 HydrophobicContact CD2-CD2 3.58Å; L362-L397 HydrophobicContact CD2-CD1 4.2Å; L362-L397 HydrophobicContact CD2-CD2 3.49Å; L362-L397 VanDerWaalsContact CD2-CD2 3.49Å; L362-L397 HydrophobicContact CD2-CG 3.92Å; R365-L397 VanDerWaalsContact NH1-CD1 3.31Å; I393-L397 HydrophobicContact CG2-CD1 3.88Å; I393-L397 WeakPolarHBondContact O-CB 3.42Å; I393-L397 WeakPolarHBondContact O-CG 3.47Å; I393-L397 PolarHBondContact O-N 3.05Å; A394-L397 PolarHBondContact O-N 3.44Å; R395-L397 VanDerWaalsContact C-N 3.32Å; R395-L397 PolarHBondContact O-N 3.27Å; L397-R399 HydrophobicContact CB-CB 4.29Å; L397-R399 HydrophobicContact CB-CG 4.1Å; L397-R399 PolarHBondContact O-N 3.07Å; L397-V443 HydrophobicContact CD1-CG2 4.38Å; L397-L491 HydrophobicContact CD1-CD2 3.69Å |
| 398 | G | 87.7 | Confident | 89.9 | Confident | 39 Ų | 39 | 43.2 Ų | 43.2 | 40% | 0.402 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 24 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A394 R395 T396 | A394-G398 PolarHBondContact O-N 3.08Å; R395-G398 PolarHBondContact O-N 3.28Å; R395-G398 VanDerWaalsContact O-N 3.17Å; T396-G398 VanDerWaalsContact C-N 3.26Å; T396-G398 PolarHBondContact O-N 3.21Å |
| 399 | R | 91.1 | Very high | 89.9 | Confident | 12 Ų | 12 | 40.7 Ų | 40.7 | 5% | 0.045 | 21% | 0.214 | C | C | . | . | trans | -102.5 | 148.8 | 179.9 | -74 | -179 | 170.8 | -146.3 | -1.8 | 111 | D333 A394 L397 N441 V443 Q489 | D333-R399 IonicContact OD1-CZ 3.72Å; D333-R399 IonicContact OD1-NE 3.74Å; D333-R399 PolarHBondContact OD1-NE 2.77Å; D333-R399 IonicContact OD1-NH2 4Å; D333-R399 PolarHBondContact OD1-NH2 3.23Å; D333-R399 IonicContact OD2-CZ 3.84Å; D333-R399 IonicContact OD2-NE 2.73Å; D333-R399 IonicContact OD2-NH2 3.37Å; D333-R399 PolarHBondContact OD2-NH2 2.63Å; A394-R399 CarbonylContact C-O 3.54Å; A394-R399 PolarHBondContact O-N 2.91Å; L397-R399 HydrophobicContact CB-CB 4.29Å; L397-R399 HydrophobicContact CB-CG 4.1Å; L397-R399 PolarHBondContact O-N 3.07Å; R399-N441 WeakPolarHBondContact CD-O 3.42Å; R399-N441 PolarHBondContact NE-O 3.38Å; R399-N441 PolarHBondContact NH1-O 3.05Å; R399-N441 VanDerWaalsContact NH1-O 3.14Å; R399-V443 HydrophobicContact CB-CG2 3.85Å; R399-Q489 PolarHBondContact NH1-O 2.92Å | ||
| 400 | E | 93.9 | Very high | 89.7 | Confident | 102 Ų | 102 | 43.3 Ų | 43.3 | 48% | 0.477 | 23% | 0.232 | S | C | . | . | trans | -64 | 143.2 | 172.4 | -67.2 | -59.5 | 153.1 | 0 | 0 | 111.4 | T331 V437 V439 P442 V443 | T331-E400 HydrophobicContact CG2-CG 4.27Å; E400-V437 HydrophobicContact CB-CG1 3.31Å; E400-V437 HydrophobicContact CG-CG1 3.89Å; E400-V439 HydrophobicContact CB-CG2 3.96Å; E400-V439 HydrophobicContact CG-CG2 3.85Å; E400-P442 HydrophobicContact CB-CB 4.49Å; E400-P442 WeakPolarHBondContact O-CA 3.19Å; E400-V443 PolarHBondContact O-N 2.77Å | ||
| 401 | F | 94.9 | Very high | 89.6 | Confident | 46 Ų | 46 | 44.6 Ų | 44.6 | 20% | 0.202 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 130.6 | -177.1 | 176 | -96.6 | 0 | 0 | 0 | 111 | R391 A394 R403 L445 | R391-F401 HydrophobicContact CB-CD2 4.35Å; R391-F401 HydrophobicContact CB-CE1 4.4Å; R391-F401 HydrophobicContact CB-CE2 4.23Å; R391-F401 HydrophobicContact CB-CG 4.47Å; R391-F401 HydrophobicContact CB-CZ 4.25Å; R391-F401 HydrophobicContact CG-CD1 4.37Å; R391-F401 HydrophobicContact CG-CG 4.41Å; A394-F401 HydrophobicContact CB-CB 3.74Å; A394-F401 HydrophobicContact CB-CD2 3.92Å; A394-F401 HydrophobicContact CB-CG 4.28Å; F401-R403 HydrophobicContact CE1-CB 4.11Å; F401-R403 HydrophobicContact CZ-CB 4.26Å; F401-L445 HydrophobicContact CE2-CB 3.78Å; F401-L445 HydrophobicContact CE2-CD2 4.23Å; F401-L445 HydrophobicContact CZ-CB 3.88Å; F401-L445 HydrophobicContact CZ-CD2 3.82Å; F401-L445 HydrophobicContact CZ-CG 4.48Å |
| 402 | H | 95.5 | Very high | 89.5 | Confident | 50 Ų | 50 | 39.8 Ų | 39.8 | 23% | 0.231 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 138.1 | 172.4 | -172.3 | 81 | 0 | 0 | 0 | 111.5 | G433 V437 V443 F444 L445 | H402-G433 WeakPolarHBondContact NE2-CA 3.34Å; H402-V437 HydrophobicContact CB-CG2 3.47Å; H402-V437 VanDerWaalsContact CB-CG2 3.47Å; H402-V443 PolarHBondContact N-O 3.48Å; H402-F444 HydrophobicContact CB-CD1 3.78Å; H402-F444 HydrophobicContact CB-CE1 3.72Å; H402-F444 AromaticContact CD2-CE1 3.92Å; H402-F444 WeakPolarHBondContact O-CA 3.46Å; H402-L445 PolarHBondContact O-N 2.82Å |
| 403 | R | 94.4 | Very high | 89.4 | Confident | 134 Ų | 134 | 40.6 Ų | 40.6 | 51% | 0.506 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 126 | -177.3 | -176.4 | -179.9 | 73.1 | 141 | -4.8 | 110.3 | F401 L445 D447 | F401-R403 HydrophobicContact CE1-CB 4.11Å; F401-R403 HydrophobicContact CZ-CB 4.26Å; R403-L445 HydrophobicContact CG-CB 4.47Å; R403-L445 HydrophobicContact CG-CD2 4.21Å; R403-D447 WeakPolarHBondContact CD-OD2 3.41Å; R403-D447 HydrophobicContact CG-CB 4.17Å; R403-D447 IonicContact CZ-OD2 3.18Å; R403-D447 IonicContact NH1-OD2 3.83Å; R403-D447 PolarHBondContact NH1-OD2 2.98Å |
| 404 | I | 93.8 | Very high | 89.4 | Confident | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.036 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 110.6 | 175.7 | -55.7 | -179.5 | 0 | 0 | 0 | 107.7 | L406 R429 I430 F444 L445 L446 D447 | I404-L406 HydrophobicContact CG2-CD2 4.19Å; I404-R429 HydrophobicContact CG2-CB 4.16Å; I404-I430 HydrophobicContact CD1-CD1 3.75Å; I404-F444 HydrophobicContact CD1-CD2 4.06Å; I404-F444 HydrophobicContact CD1-CE2 4.29Å; I404-F444 HydrophobicContact CD1-CG 4.26Å; I404-L445 PolarHBondContact N-O 3.42Å; I404-L446 HydrophobicContact CB-CD2 4.19Å; I404-L446 HydrophobicContact CD1-CD2 4.37Å; I404-D447 PolarHBondContact O-N 3.33Å |
| 405 | A | 91.8 | Very high | 89.4 | Confident | 45 Ų | 45 | 42.9 Ų | 42.9 | 37% | 0.372 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 124.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | R429 | A405-R429 PolarHBondContact O-NH1 2.75Å |
| 406 | L | 89.6 | Confident | 89.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -103.6 | -5.5 | 176.7 | -65.2 | 173.9 | 0 | 0 | 0 | 112.8 | I404 G408 V409 I415 L446 D447 V449 L452 L464 | I404-L406 HydrophobicContact CG2-CD2 4.19Å; L406-G408 PolarHBondContact O-N 3.29Å; L406-V409 HydrophobicContact CD2-CG2 4.46Å; L406-V409 WeakPolarHBondContact O-CB 3.46Å; L406-V409 WeakPolarHBondContact O-CG2 3.47Å; L406-V409 PolarHBondContact O-N 2.89Å; L406-V409 VanDerWaalsContact O-N 3.08Å; L406-I415 HydrophobicContact CD2-CD1 3.6Å; L406-L446 HydrophobicContact CD1-CB 3.79Å; L406-L446 HydrophobicContact CD1-CD1 4.45Å; L406-L446 HydrophobicContact CD1-CD2 4.23Å; L406-L446 HydrophobicContact CD1-CG 4.37Å; L406-D447 WeakPolarHBondContact CB-O 3.34Å; L406-D447 PolarHBondContact N-O 3.44Å; L406-V449 HydrophobicContact CD1-CG1 3.64Å; L406-L452 HydrophobicContact CB-CD2 3.95Å; L406-L464 HydrophobicContact CD1-CD1 3.81Å; L406-L464 HydrophobicContact CD1-CD2 4.29Å; L406-L464 HydrophobicContact CD2-CD1 4.44Å; L406-L464 HydrophobicContact CD2-CD2 4.44Å | ||
| 407 | G | 84.6 | Confident | 89.5 | Confident | 30 Ų | 30 | 37 Ų | 37 | 31% | 0.309 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 120.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V409 | G407-V409 VanDerWaalsContact C-N 3.3Å; G407-V409 PolarHBondContact O-N 2.87Å |
| 408 | G | 82.5 | Confident | 89.8 | Confident | 59 Ų | 59 | 40 Ų | 40 | 61% | 0.608 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | 3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L406 C410 K451 | L406-G408 PolarHBondContact O-N 3.29Å; G408-C410 PolarHBondContact O-N 3Å; G408-C410 PolarHBondContact O-SG 3.31Å; G408-C410 VanDerWaalsContact O-SG 3.34Å; G408-K451 PolarHBondContact N-O 2.77Å |
| 409 | V | 87.4 | Confident | 89.8 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | trans | -69.4 | 123 | 173.3 | 177.6 | 0 | 0 | 0 | 0 | 109.1 | L406 G407 D414 L452 G453 P460 | L406-V409 HydrophobicContact CD2-CG2 4.46Å; L406-V409 WeakPolarHBondContact O-CB 3.46Å; L406-V409 WeakPolarHBondContact O-CG2 3.47Å; L406-V409 PolarHBondContact O-N 2.89Å; L406-V409 VanDerWaalsContact O-N 3.08Å; G407-V409 VanDerWaalsContact C-N 3.3Å; G407-V409 PolarHBondContact O-N 2.87Å; V409-D414 HydrophobicContact CG1-CB 3.8Å; V409-L452 HydrophobicContact CB-CD2 4.16Å; V409-G453 PolarHBondContact O-N 2.84Å; V409-P460 HydrophobicContact CG1-CB 4.01Å | ||
| 410 | C | 85.4 | Confident | 89.5 | Confident | 58 Ų | 58 | 47.7 Ų | 47.7 | 39% | 0.392 | 25% | 0.248 | S | C | . | . | trans | -120.1 | -14.7 | -175.2 | -67.3 | 0 | 0 | 0 | 0 | 113.2 | G408 S455 | G408-C410 PolarHBondContact O-N 3Å; G408-C410 PolarHBondContact O-SG 3.31Å; G408-C410 VanDerWaalsContact O-SG 3.34Å; C410-S455 WeakPolarHBondContact O-CB 3.29Å; C410-S455 PolarHBondContact O-OG 3.12Å | ||
| 411 | D | 87.7 | Confident | 88.9 | Confident | 27 Ų | 27 | 48.6 Ų | 48.6 | 14% | 0.144 | 26% | 0.261 | C | S | . | . | trans | -120 | 144 | -175.8 | -171 | 11.3 | 0 | 0 | 0 | 110.9 | S413 D414 | D411-S413 PolarHBondContact O-N 3.19Å; D411-S413 PolarHBondContact OD1-N 2.88Å; D411-S413 PolarHBondContact OD1-OG 2.89Å; D411-S413 WeakPolarHBondContact OD2-CB 3.45Å; D411-S413 PolarHBondContact OD2-OG 3.47Å; D411-D414 PolarHBondContact O-N 3.42Å | ||
| 412 | Q | 87.6 | Confident | 88.1 | Confident | 41 Ų | 41 | 53 Ų | 53 | 19% | 0.192 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -28.9 | 173.2 | 163.7 | 163.3 | 38.4 | 0 | 0 | 112 | D414 I415 R416 A463 | Q412-D414 PolarHBondContact O-N 3.39Å; Q412-I415 PolarHBondContact O-N 3.48Å; Q412-R416 HydrophobicContact CG-CG 4.46Å; Q412-R416 PolarHBondContact O-N 3.48Å; Q412-A463 HydrophobicContact CB-CB 4.39Å; Q412-A463 HydrophobicContact CG-CB 3.83Å |
| 413 | S | 88.1 | Confident | 87.2 | Confident | 24 Ų | 24 | 57.9 Ų | 57.9 | 17% | 0.168 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.5 | -24.9 | 177.7 | -44.2 | 0 | 0 | 0 | 0 | 112.9 | D411 I415 G417 H418 | D411-S413 PolarHBondContact O-N 3.19Å; D411-S413 PolarHBondContact OD1-N 2.88Å; D411-S413 PolarHBondContact OD1-OG 2.89Å; D411-S413 WeakPolarHBondContact OD2-CB 3.45Å; D411-S413 PolarHBondContact OD2-OG 3.47Å; S413-I415 VanDerWaalsContact C-N 3.26Å; S413-I415 PolarHBondContact O-N 2.98Å; S413-G417 CarbonylContact O-C 3.43Å; S413-G417 WeakPolarHBondContact O-CA 3.24Å; S413-G417 PolarHBondContact O-N 3.16Å; S413-H418 WeakPolarHBondContact CB-CE1 2.99Å |
| 414 | D | 87.9 | Confident | 86.5 | Confident | 52 Ų | 52 | 54.2 Ų | 54.2 | 28% | 0.278 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.7 | -32 | 174.9 | -88 | 20 | 0 | 0 | 0 | 111.9 | V409 D411 Q412 R429 | V409-D414 HydrophobicContact CG1-CB 3.8Å; D411-D414 PolarHBondContact O-N 3.42Å; Q412-D414 PolarHBondContact O-N 3.39Å; D414-R429 WeakPolarHBondContact O-CB 3.31Å; D414-R429 VanDerWaalsContact O-CG 3.27Å; D414-R429 WeakPolarHBondContact O-CG 3.38Å; D414-R429 PolarHBondContact O-N 2.95Å; D414-R429 IonicContact OD2-CZ 3.66Å; D414-R429 IonicContact OD2-NE 2.75Å; D414-R429 IonicContact OD2-NH2 3.89Å; D414-R429 PolarHBondContact OD2-NH2 3.19Å |
| 415 | I | 90.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -89.5 | -44.8 | -179.7 | -54.6 | -58.4 | 0 | 0 | 0 | 111.2 | L406 Q412 S413 G428 I430 A463 L464 V467 | L406-I415 HydrophobicContact CD2-CD1 3.6Å; Q412-I415 PolarHBondContact O-N 3.48Å; S413-I415 VanDerWaalsContact C-N 3.26Å; S413-I415 PolarHBondContact O-N 2.98Å; I415-G428 WeakPolarHBondContact O-CA 3.35Å; I415-I430 HydrophobicContact CG2-CG1 4.07Å; I415-A463 HydrophobicContact CB-CB 3.85Å; I415-A463 HydrophobicContact CG1-CB 4.31Å; I415-A463 HydrophobicContact CG2-CB 3.96Å; I415-L464 HydrophobicContact CD1-CD2 4.06Å; I415-L464 HydrophobicContact CD1-CG 4.49Å; I415-L464 HydrophobicContact CG1-CD2 4.36Å; I415-L464 HydrophobicContact CG1-CG 4.39Å; I415-L464 HydrophobicContact CG2-CD2 4.27Å; I415-V467 HydrophobicContact CG2-CG2 4.17Å |
| 416 | R | 88.9 | Confident | 86 | Confident | 48 Ų | 48 | 58.2 Ų | 58.2 | 18% | 0.181 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -97.5 | -3.2 | -175.8 | -70.2 | -169.7 | -177.1 | 171.4 | 1.5 | 115.4 | Q412 A463 E466 F476 D478 H479 | Q412-R416 HydrophobicContact CG-CG 4.46Å; Q412-R416 PolarHBondContact O-N 3.48Å; R416-A463 HydrophobicContact CG-CB 4.26Å; R416-E466 IonicContact CZ-OE2 2.83Å; R416-E466 IonicContact NE-OE2 3.34Å; R416-E466 PolarHBondContact NE-OE2 3.39Å; R416-E466 VanDerWaalsContact NH2-CD 3.32Å; R416-E466 IonicContact NH2-OE1 2.89Å; R416-E466 IonicContact NH2-OE2 3.83Å; R416-E466 PolarHBondContact NH2-OE2 3.28Å; R416-F476 HydrophobicContact CG-CE2 4.15Å; R416-F476 HydrophobicContact CG-CZ 4.25Å; R416-D478 CarbonylContact O-C 3.37Å; R416-D478 WeakPolarHBondContact O-CA 3.47Å; R416-H479 PolarHBondContact O-N 3.29Å |
| 417 | G | 90.8 | Very high | 86.2 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | trans | 73.6 | 178 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S413 M426 G428 H479 | S413-G417 CarbonylContact O-C 3.43Å; S413-G417 WeakPolarHBondContact O-CA 3.24Å; S413-G417 PolarHBondContact O-N 3.16Å; G417-M426 WeakPolarHBondContact CA-O 3.36Å; G417-G428 VanDerWaalsContact CA-N 3.27Å; G417-G428 VanDerWaalsContact N-CA 3.29Å; G417-H479 PolarHBondContact O-ND1 3.37Å | ||
| 418 | H | 90.9 | Very high | 86.5 | Confident | 63 Ų | 63 | 57.7 Ų | 57.7 | 29% | 0.292 | 32% | 0.319 | S | S | . | . | trans | -100.6 | 152.6 | 175.2 | -63.8 | -76.1 | 0 | 0 | 0 | 111.3 | S413 R420 Y422 M426 H479 Y480 | S413-H418 WeakPolarHBondContact CB-CE1 2.99Å; H418-R420 PolarHBondContact O-N 3.08Å; H418-Y422 HydrophobicContact CB-CD2 4.46Å; H418-M426 PolarHBondContact N-O 3.48Å; H418-H479 CarbonylContact O-C 3.51Å; H418-Y480 WeakPolarHBondContact O-CA 3.4Å; H418-Y480 VanDerWaalsContact O-CB 3.31Å; H418-Y480 WeakPolarHBondContact O-CB 3.46Å; H418-Y480 PolarHBondContact O-N 2.98Å | ||
| 419 | R | 88.8 | Confident | 87 | Confident | 154 Ų | 154 | 59.2 Ų | 59.2 | 58% | 0.581 | 31% | 0.307 | S | S | * | . | trans | -62.2 | 137.9 | 171.2 | -63.8 | -177.2 | -179.3 | -170.7 | 0 | 110.6 | T421 Y422 S425 H479 | R419-T421 PolarHBondContact O-N 3.41Å; R419-Y422 HydrophobicContact CB-CD2 3.97Å; R419-Y422 HydrophobicContact CB-CE2 3.94Å; R419-Y422 HydrophobicContact CG-CE2 4.44Å; R419-Y422 WeakPolarHBondContact O-CD2 3.49Å; R419-Y422 PolarHBondContact O-N 3.31Å; R419-S425 VanDerWaalsContact O-CB 3.28Å; R419-S425 WeakPolarHBondContact O-CB 3.33Å; R419-H479 HydrophobicContact CG-CB 4.19Å | ||
| 420 | R | 84.5 | Confident | 87.3 | Confident | 60 Ų | 60 | 59.2 Ų | 59.2 | 23% | 0.226 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -20.9 | -178.9 | -161.8 | 174.1 | 71.2 | -173.9 | 2.1 | 114.6 | E298 Y318 H418 Y422 S425 Y480 | E298-R420 IonicContact OE1-CZ 3.44Å; E298-R420 IonicContact OE1-NH1 3.9Å; E298-R420 IonicContact OE1-NH2 2.75Å; E298-R420 PolarHBondContact OE1-NH2 3.33Å; E298-R420 IonicContact OE2-NH2 2.93Å; Y318-R420 VanDerWaalsContact CD1-NH1 3.28Å; Y318-R420 VanDerWaalsContact CG-NH1 3.33Å; H418-R420 PolarHBondContact O-N 3.08Å; R420-Y422 PolarHBondContact O-N 2.91Å; R420-S425 WeakPolarHBondContact CA-OG 3.38Å; R420-S425 PolarHBondContact O-OG 3.26Å; R420-Y480 HydrophobicContact CG-CE2 4.32Å |
| 421 | T | 80.6 | Confident | 87.7 | Confident | 120 Ų | 120 | 56.4 Ų | 56.4 | 74% | 0.736 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -16.1 | 178 | 53 | 0 | 0 | 0 | 0 | 114 | R419 | R419-T421 PolarHBondContact O-N 3.41Š|
| 422 | Y | 79.3 | Confident | 88 | Confident | 138 Ų | 138 | 58.3 Ų | 58.3 | 54% | 0.541 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -85.5 | 136.9 | 178.1 | -62.9 | -59.2 | 0 | 0 | 0 | 111.2 | H418 R419 R420 G424 S425 | H418-Y422 HydrophobicContact CB-CD2 4.46Å; R419-Y422 HydrophobicContact CB-CD2 3.97Å; R419-Y422 HydrophobicContact CB-CE2 3.94Å; R419-Y422 HydrophobicContact CG-CE2 4.44Å; R419-Y422 WeakPolarHBondContact O-CD2 3.49Å; R419-Y422 PolarHBondContact O-N 3.31Å; R420-Y422 PolarHBondContact O-N 2.91Å; Y422-G424 PolarHBondContact O-N 3.06Å; Y422-S425 WeakPolarHBondContact O-CB 3.39Å; Y422-S425 PolarHBondContact O-N 3.49Å; Y422-S425 VanDerWaalsContact O-N 3.09Å; Y422-S425 PolarHBondContact O-OG 3.43Å |
| 423 | V | 74.8 | Confident | 88.2 | Confident | 153 Ų | 153 | 56.4 Ų | 56.4 | 93% | 0.927 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 126.4 | 171.9 | -178.5 | 0 | 0 | 0 | 0 | 108.4 | ||
| 424 | G | 80.3 | Confident | 88.4 | Confident | 58 Ų | 58 | 55.2 Ų | 55.2 | 60% | 0.598 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 20.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y422 M426 | Y422-G424 PolarHBondContact O-N 3.06Å; G424-M426 PolarHBondContact O-N 3.07Å |
| 425 | S | 86.4 | Confident | 88.6 | Confident | 13 Ų | 13 | 57 Ų | 57 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | trans | -60.1 | 132.5 | 175.4 | 48.7 | 0 | 0 | 0 | 0 | 111.7 | R419 R420 Y422 Y480 | R419-S425 VanDerWaalsContact O-CB 3.28Å; R419-S425 WeakPolarHBondContact O-CB 3.33Å; R420-S425 WeakPolarHBondContact CA-OG 3.38Å; R420-S425 PolarHBondContact O-OG 3.26Å; Y422-S425 WeakPolarHBondContact O-CB 3.39Å; Y422-S425 PolarHBondContact O-N 3.49Å; Y422-S425 VanDerWaalsContact O-N 3.09Å; Y422-S425 PolarHBondContact O-OG 3.43Å; S425-Y480 WeakPolarHBondContact O-CE2 3.49Å | ||
| 426 | M | 89.9 | Confident | 88.7 | Confident | 122 Ų | 122 | 60.7 Ų | 60.7 | 60% | 0.601 | 32% | 0.316 | S | S | * | . | trans | -126.1 | 147.9 | 177.9 | -66.6 | -170.4 | -72 | 0 | 0 | 109.9 | G417 H418 G424 | G417-M426 WeakPolarHBondContact CA-O 3.36Å; H418-M426 PolarHBondContact N-O 3.48Å; G424-M426 PolarHBondContact O-N 3.07Å | ||
| 427 | P | 92.3 | Very high | 88.9 | Confident | 19 Ų | 19 | 59.7 Ų | 59.7 | 12% | 0.123 | 32% | 0.316 | C | S | . | . | trans | -67.3 | 158.9 | 170.5 | 29.1 | -34.5 | 0 | 0 | 0 | 111.2 | L321 I431 N432 Y480 | L321-P427 HydrophobicContact CD2-CB 4.13Å; L321-P427 HydrophobicContact CD2-CG 4.02Å; P427-I431 HydrophobicContact CB-CB 4.2Å; P427-I431 HydrophobicContact CB-CG2 3.99Å; P427-N432 WeakPolarHBondContact CG-OD1 3.46Å; P427-N432 PolarHBondContact O-ND2 2.94Å; P427-Y480 HydrophobicContact CB-CD1 4.02Å; P427-Y480 HydrophobicContact CB-CG 4.18Å; P427-Y480 HydrophobicContact CG-CD1 4.43Å | ||
| 428 | G | 92.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | trans | -66.5 | 164.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I415 G417 I430 I431 N432 D478 | I415-G428 WeakPolarHBondContact O-CA 3.35Å; G417-G428 VanDerWaalsContact CA-N 3.27Å; G417-G428 VanDerWaalsContact N-CA 3.29Å; G428-I430 PolarHBondContact O-N 3Å; G428-I431 PolarHBondContact O-N 2.67Å; G428-N432 PolarHBondContact O-N 3.14Å; G428-N432 PolarHBondContact O-ND2 2.76Å; G428-D478 WeakPolarHBondContact CA-OD2 3.3Å; G428-D478 PolarHBondContact N-OD2 3.19Å | ||
| 429 | R | 92.9 | Very high | 89.1 | Confident | 91 Ų | 91 | 58 Ų | 58 | 34% | 0.343 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.1 | -31.9 | 179 | -73.4 | 178.2 | -166.2 | -149.5 | 4.5 | 113 | I404 A405 D414 G433 | I404-R429 HydrophobicContact CG2-CB 4.16Å; A405-R429 PolarHBondContact O-NH1 2.75Å; D414-R429 WeakPolarHBondContact O-CB 3.31Å; D414-R429 VanDerWaalsContact O-CG 3.27Å; D414-R429 WeakPolarHBondContact O-CG 3.38Å; D414-R429 PolarHBondContact O-N 2.95Å; D414-R429 IonicContact OD2-CZ 3.66Å; D414-R429 IonicContact OD2-NE 2.75Å; D414-R429 IonicContact OD2-NH2 3.89Å; D414-R429 PolarHBondContact OD2-NH2 3.19Å; R429-G433 PolarHBondContact O-N 2.83Å |
| 430 | I | 93.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.9 | -52.4 | 177.1 | -56.2 | -54.3 | 0 | 0 | 0 | 110.5 | I404 I415 G428 G433 L434 F444 V467 F476 L487 | I404-I430 HydrophobicContact CD1-CD1 3.75Å; I415-I430 HydrophobicContact CG2-CG1 4.07Å; G428-I430 PolarHBondContact O-N 3Å; I430-G433 PolarHBondContact O-N 2.73Å; I430-L434 PolarHBondContact O-N 3.24Å; I430-F444 HydrophobicContact CG2-CE2 4.11Å; I430-V467 HydrophobicContact CD1-CG1 4.27Å; I430-V467 HydrophobicContact CG1-CG1 4.42Å; I430-V467 HydrophobicContact CG1-CG2 4.24Å; I430-F476 HydrophobicContact CG2-CE1 4.48Å; I430-L487 HydrophobicContact CG2-CD1 3.84Å; I430-L487 HydrophobicContact CG2-CD2 3.95Å |
| 431 | I | 93.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.5 | -41.3 | -179.3 | -61.9 | -56.4 | 0 | 0 | 0 | 110.8 | L325 P427 G428 G433 L434 K435 F476 D478 F485 | L325-I431 HydrophobicContact CD1-CG2 4.13Å; L325-I431 HydrophobicContact CD2-CG2 3.78Å; P427-I431 HydrophobicContact CB-CB 4.2Å; P427-I431 HydrophobicContact CB-CG2 3.99Å; G428-I431 PolarHBondContact O-N 2.67Å; I431-G433 VanDerWaalsContact C-N 3.31Å; I431-G433 PolarHBondContact O-N 2.98Å; I431-L434 HydrophobicContact CD1-CD1 4.33Å; I431-L434 PolarHBondContact O-N 3.48Å; I431-K435 PolarHBondContact O-N 3.44Å; I431-F476 HydrophobicContact CD1-CE1 4.28Å; I431-F476 HydrophobicContact CG1-CE1 4.43Å; I431-D478 HydrophobicContact CD1-CB 4.35Å; I431-D478 HydrophobicContact CG1-CB 3.72Å; I431-D478 WeakPolarHBondContact CG1-OD2 3.29Å; I431-F485 HydrophobicContact CD1-CB 4.41Å; I431-F485 HydrophobicContact CD1-CG 4.39Å |
| 432 | N | 92.9 | Very high | 90.1 | Very high | 66 Ų | 66 | 43.6 Ų | 43.6 | 35% | 0.353 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.6 | -38.9 | 173.2 | -82.1 | -37.1 | 0 | 0 | 0 | 112.5 | P427 G428 K435 A436 | P427-N432 WeakPolarHBondContact CG-OD1 3.46Å; P427-N432 PolarHBondContact O-ND2 2.94Å; G428-N432 PolarHBondContact O-N 3.14Å; G428-N432 PolarHBondContact O-ND2 2.76Å; N432-K435 PolarHBondContact O-N 2.85Å; N432-A436 WeakPolarHBondContact O-CB 3.3Å; N432-A436 PolarHBondContact O-N 3.33Å |
| 433 | G | 92.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.1 | -42.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | H402 R429 I430 I431 A436 V437 | H402-G433 WeakPolarHBondContact NE2-CA 3.34Å; R429-G433 PolarHBondContact O-N 2.83Å; I430-G433 PolarHBondContact O-N 2.73Å; I431-G433 VanDerWaalsContact C-N 3.31Å; I431-G433 PolarHBondContact O-N 2.98Å; G433-A436 PolarHBondContact O-N 3.5Å; G433-V437 WeakPolarHBondContact O-CB 3.35Å; G433-V437 VanDerWaalsContact O-CG2 3.22Å; G433-V437 WeakPolarHBondContact O-CG2 3.37Å; G433-V437 PolarHBondContact O-N 2.84Å |
| 434 | L | 92.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.9 | -41.5 | 175.9 | -72.9 | 170 | 0 | 0 | 0 | 112.2 | L325 P326 I430 I431 V437 G438 P442 F444 F485 L487 V490 | L325-L434 HydrophobicContact CD2-CB 4.33Å; P326-L434 HydrophobicContact CG-CB 4.46Å; I430-L434 PolarHBondContact O-N 3.24Å; I431-L434 HydrophobicContact CD1-CD1 4.33Å; I431-L434 PolarHBondContact O-N 3.48Å; L434-V437 PolarHBondContact O-N 3.05Å; L434-G438 PolarHBondContact O-N 3.03Å; L434-P442 HydrophobicContact CD2-CG 3.92Å; L434-F444 HydrophobicContact CD2-CE2 4.34Å; L434-F444 HydrophobicContact CD2-CZ 3.91Å; L434-F444 HydrophobicContact CG-CE2 4.22Å; L434-F444 HydrophobicContact CG-CZ 3.87Å; L434-F485 HydrophobicContact CD1-CD1 3.84Å; L434-F485 HydrophobicContact CD1-CE1 3.43Å; L434-F485 VanDerWaalsContact CD1-CE1 3.43Å; L434-F485 HydrophobicContact CD1-CZ 4Å; L434-L487 HydrophobicContact CD1-CD2 3.66Å; L434-V490 HydrophobicContact CD2-CG2 4.4Å |
| 435 | K | 92.8 | Very high | 92.5 | Very high | 90 Ų | 90 | 27 Ų | 27 | 39% | 0.391 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -59.4 | -45.5 | 173.3 | 167.9 | 172.7 | 163.1 | 154.9 | 0 | 111.5 | L321 E324 L325 I431 N432 V437 | L321-K435 HydrophobicContact CD1-CD 3.7Å; E324-K435 VanDerWaalsContact OE2-CD 3.28Å; E324-K435 WeakPolarHBondContact OE2-CD 3.37Å; E324-K435 WeakPolarHBondContact OE2-CE 3.15Å; E324-K435 IonicContact OE2-NZ 3.4Å; E324-K435 PolarHBondContact OE2-NZ 3.33Å; L325-K435 HydrophobicContact CD2-CB 4.33Å; I431-K435 PolarHBondContact O-N 3.44Å; N432-K435 PolarHBondContact O-N 2.85Å; K435-V437 VanDerWaalsContact C-N 3.32Å; K435-V437 PolarHBondContact O-N 3.49Å |
| 436 | A | 92.4 | Very high | 92.9 | Very high | 76 Ų | 76 | 26.4 Ų | 26.4 | 63% | 0.628 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -66.3 | -34 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | N432 G433 | N432-A436 WeakPolarHBondContact O-CB 3.3Å; N432-A436 PolarHBondContact O-N 3.33Å; G433-A436 PolarHBondContact O-N 3.5Å |
| 437 | V | 93.4 | Very high | 93 | Very high | 27 Ų | 27 | 21.4 Ų | 21.4 | 16% | 0.164 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -85.7 | -34.7 | -178.1 | 173.4 | 0 | 0 | 0 | 0 | 112.3 | E400 H402 G433 L434 K435 V439 P442 | E400-V437 HydrophobicContact CB-CG1 3.31Å; E400-V437 HydrophobicContact CG-CG1 3.89Å; H402-V437 HydrophobicContact CB-CG2 3.47Å; H402-V437 VanDerWaalsContact CB-CG2 3.47Å; G433-V437 WeakPolarHBondContact O-CB 3.35Å; G433-V437 VanDerWaalsContact O-CG2 3.22Å; G433-V437 WeakPolarHBondContact O-CG2 3.37Å; G433-V437 PolarHBondContact O-N 2.84Å; L434-V437 PolarHBondContact O-N 3.05Å; K435-V437 VanDerWaalsContact C-N 3.32Å; K435-V437 PolarHBondContact O-N 3.49Å; V437-V439 VanDerWaalsContact C-N 3.29Å; V437-V439 HydrophobicContact CG1-CG2 3.55Å; V437-V439 PolarHBondContact O-N 2.58Å; V437-P442 HydrophobicContact CG1-CB 3.75Å; V437-P442 HydrophobicContact CG1-CG 4.39Å |
| 438 | G | 91.3 | Very high | 93 | Very high | 19 Ų | 19 | 23.3 Ų | 23.3 | 20% | 0.196 | 13% | 0.129 | C | C | . | . | trans | 70.4 | 19.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115 | K329 L434 | K329-G438 WeakPolarHBondContact CD-O 3.42Å; L434-G438 PolarHBondContact O-N 3.03Å | ||
| 439 | V | 93.2 | Very high | 92.9 | Very high | 9 Ų | 9 | 23.3 Ų | 23.3 | 6% | 0.055 | 13% | 0.128 | C | C | . | . | trans | -136.4 | 155.1 | 169.9 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | P326 K329 T331 E400 V437 P442 | P326-V439 WeakPolarHBondContact CG-O 3.33Å; K329-V439 HydrophobicContact CG-CG1 4.34Å; K329-V439 CarbonylContact O-C 3.54Å; K329-V439 WeakPolarHBondContact O-CA 3.2Å; T331-V439 HydrophobicContact CG2-CB 4.46Å; T331-V439 HydrophobicContact CG2-CG1 4.07Å; T331-V439 HydrophobicContact CG2-CG2 4.18Å; E400-V439 HydrophobicContact CB-CG2 3.96Å; E400-V439 HydrophobicContact CG-CG2 3.85Å; V437-V439 VanDerWaalsContact C-N 3.29Å; V437-V439 HydrophobicContact CG1-CG2 3.55Å; V437-V439 PolarHBondContact O-N 2.58Å; V439-P442 HydrophobicContact CG2-CB 4.37Å; V439-P442 WeakPolarHBondContact O-CD 3.43Å | ||
| 440 | N | 90.8 | Very high | 92.8 | Very high | 26 Ų | 26 | 19.6 Ų | 19.6 | 14% | 0.139 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -89.8 | -9.8 | -175.2 | 68.2 | 3.1 | 0 | 0 | 0 | 115.1 | P326 W327 K329 S330 P442 | P326-N440 VanDerWaalsContact O-CB 3.32Å; P326-N440 WeakPolarHBondContact O-CB 3.13Å; W327-N440 PolarHBondContact O-ND2 3.44Å; K329-N440 PolarHBondContact O-N 2.91Å; K329-N440 PolarHBondContact O-OD1 2.98Å; S330-N440 WeakPolarHBondContact CA-OD1 3.37Å; S330-N440 WeakPolarHBondContact CB-OD1 3.45Å; N440-P442 WeakPolarHBondContact O-CD 3.3Å |
| 441 | N | 91.8 | Very high | 92.5 | Very high | 7 Ų | 7 | 24.3 Ų | 24.3 | 4% | 0.037 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -117.4 | 39.4 | -179.7 | 69.7 | -26.4 | 0 | 0 | 0 | 114.8 | T331 R399 Q489 | T331-N441 PolarHBondContact N-ND2 3.35Å; T331-N441 PolarHBondContact N-OD1 3.37Å; T331-N441 PolarHBondContact O-ND2 3.11Å; T331-N441 VanDerWaalsContact OG1-CG 3.3Å; T331-N441 PolarHBondContact OG1-ND2 2.97Å; T331-N441 VanDerWaalsContact OG1-ND2 3.14Å; T331-N441 PolarHBondContact OG1-OD1 2.94Å; R399-N441 WeakPolarHBondContact CD-O 3.42Å; R399-N441 PolarHBondContact NE-O 3.38Å; R399-N441 PolarHBondContact NH1-O 3.05Å; R399-N441 VanDerWaalsContact NH1-O 3.14Å; N441-Q489 HydrophobicContact CB-CB 3.98Å |
| 442 | P | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -72.6 | 169.4 | -178.8 | 34.6 | -38.1 | 0 | 0 | 0 | 112.7 | E400 L434 V437 V439 N440 F444 V490 L491 | E400-P442 HydrophobicContact CB-CB 4.49Å; E400-P442 WeakPolarHBondContact O-CA 3.19Å; L434-P442 HydrophobicContact CD2-CG 3.92Å; V437-P442 HydrophobicContact CG1-CB 3.75Å; V437-P442 HydrophobicContact CG1-CG 4.39Å; V439-P442 HydrophobicContact CG2-CB 4.37Å; V439-P442 WeakPolarHBondContact O-CD 3.43Å; N440-P442 WeakPolarHBondContact O-CD 3.3Å; P442-F444 HydrophobicContact CB-CD1 4.36Å; P442-F444 HydrophobicContact CB-CE1 4.2Å; P442-F444 HydrophobicContact CG-CD1 4.07Å; P442-F444 HydrophobicContact CG-CE1 3.69Å; P442-F444 HydrophobicContact CG-CZ 4.06Å; P442-V490 HydrophobicContact CG-CG1 4.35Å; P442-L491 PolarHBondContact O-N 3.43Å | ||
| 443 | V | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 115.1 | 166.2 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | A394 L397 R399 E400 H402 L491 I493 | A394-V443 HydrophobicContact CB-CB 3.83Å; A394-V443 HydrophobicContact CB-CG1 4.31Å; A394-V443 HydrophobicContact CB-CG2 3.72Å; L397-V443 HydrophobicContact CD1-CG2 4.38Å; R399-V443 HydrophobicContact CB-CG2 3.85Å; E400-V443 PolarHBondContact O-N 2.77Å; H402-V443 PolarHBondContact N-O 3.48Å; V443-L491 CarbonylContact C-O 3.56Å; V443-L491 WeakPolarHBondContact CA-O 3.46Å; V443-L491 HydrophobicContact CG1-CD2 4.2Å; V443-L491 HydrophobicContact CG1-CG 4.36Å; V443-L491 HydrophobicContact CG2-CB 4.22Å; V443-L491 HydrophobicContact CG2-CD2 4Å; V443-I493 HydrophobicContact CG1-CD1 3.7Å; V443-I493 HydrophobicContact CG1-CG1 4.22Å |
| 444 | F | 95.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 116.9 | 174.6 | -79.1 | -6.8 | 0 | 0 | 0 | 111.1 | H402 I404 I430 L434 P442 V490 L491 F492 I493 | H402-F444 HydrophobicContact CB-CD1 3.78Å; H402-F444 HydrophobicContact CB-CE1 3.72Å; H402-F444 AromaticContact CD2-CE1 3.92Å; H402-F444 WeakPolarHBondContact O-CA 3.46Å; I404-F444 HydrophobicContact CD1-CD2 4.06Å; I404-F444 HydrophobicContact CD1-CE2 4.29Å; I404-F444 HydrophobicContact CD1-CG 4.26Å; I430-F444 HydrophobicContact CG2-CE2 4.11Å; L434-F444 HydrophobicContact CD2-CE2 4.34Å; L434-F444 HydrophobicContact CD2-CZ 3.91Å; L434-F444 HydrophobicContact CG-CE2 4.22Å; L434-F444 HydrophobicContact CG-CZ 3.87Å; P442-F444 HydrophobicContact CB-CD1 4.36Å; P442-F444 HydrophobicContact CB-CE1 4.2Å; P442-F444 HydrophobicContact CG-CD1 4.07Å; P442-F444 HydrophobicContact CG-CE1 3.69Å; P442-F444 HydrophobicContact CG-CZ 4.06Å; F444-V490 HydrophobicContact CB-CG1 4.17Å; F444-V490 HydrophobicContact CD2-CG1 3.61Å; F444-V490 HydrophobicContact CE2-CG1 4.15Å; F444-V490 HydrophobicContact CG-CG1 3.87Å; F444-L491 PolarHBondContact N-O 3.22Å; F444-F492 HydrophobicContact CB-CD1 3.93Å; F444-F492 HydrophobicContact CB-CE1 4.14Å; F444-F492 HydrophobicContact CD2-CD1 4.39Å; F444-F492 AromaticContact CD2-CE1 3.74Å; F444-F492 HydrophobicContact CD2-CE1 3.74Å; F444-F492 HydrophobicContact CD2-CZ 4.33Å; F444-F492 HydrophobicContact CG-CE1 4.45Å; F444-F492 WeakPolarHBondContact O-CA 3.45Å; F444-I493 PolarHBondContact O-N 3.26Å |
| 445 | L | 95.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 109.7 | 171.3 | -172.2 | 74.5 | 0 | 0 | 0 | 109.9 | T387 F401 H402 R403 I404 D447 I493 T495 | T387-L445 HydrophobicContact CG2-CD2 3.47Å; T387-L445 VanDerWaalsContact CG2-CD2 3.47Å; F401-L445 HydrophobicContact CE2-CB 3.78Å; F401-L445 HydrophobicContact CE2-CD2 4.23Å; F401-L445 HydrophobicContact CZ-CB 3.88Å; F401-L445 HydrophobicContact CZ-CD2 3.82Å; F401-L445 HydrophobicContact CZ-CG 4.48Å; H402-L445 PolarHBondContact O-N 2.82Å; R403-L445 HydrophobicContact CG-CB 4.47Å; R403-L445 HydrophobicContact CG-CD2 4.21Å; I404-L445 PolarHBondContact N-O 3.42Å; L445-D447 PolarHBondContact O-N 3.3Å; L445-I493 CarbonylContact C-O 3.55Å; L445-I493 WeakPolarHBondContact CA-O 3.43Å; L445-I493 HydrophobicContact CD1-CB 3.87Å; L445-I493 HydrophobicContact CD1-CG2 3.66Å; L445-T495 HydrophobicContact CD1-CG2 3.67Å; L445-T495 HydrophobicContact CG-CG2 4.34Å |
| 446 | L | 94.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 97.6 | 172.3 | -57.4 | -176.4 | 0 | 0 | 0 | 108.9 | I404 L406 V449 L464 L468 F492 I493 A494 T495 | I404-L446 HydrophobicContact CB-CD2 4.19Å; I404-L446 HydrophobicContact CD1-CD2 4.37Å; L406-L446 HydrophobicContact CD1-CB 3.79Å; L406-L446 HydrophobicContact CD1-CD1 4.45Å; L406-L446 HydrophobicContact CD1-CD2 4.23Å; L406-L446 HydrophobicContact CD1-CG 4.37Å; L446-V449 HydrophobicContact CB-CG1 3.99Å; L446-L464 HydrophobicContact CD1-CD2 4.4Å; L446-L468 HydrophobicContact CD1-CD1 4.25Å; L446-L468 HydrophobicContact CD1-CD2 3.82Å; L446-L468 HydrophobicContact CD1-CG 4.47Å; L446-F492 HydrophobicContact CD1-CD1 4.25Å; L446-F492 HydrophobicContact CG-CD1 4.43Å; L446-I493 PolarHBondContact N-O 3.08Å; L446-A494 HydrophobicContact CB-CB 4.47Å; L446-A494 CarbonylContact O-C 3.5Å; L446-A494 WeakPolarHBondContact O-CA 3.45Å; L446-T495 PolarHBondContact O-N 3.09Å |
| 447 | D | 93.3 | Very high | 86.5 | Confident | 17 Ų | 17 | 41.6 Ų | 41.6 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 135.4 | -174.5 | -156.2 | 1.1 | 0 | 0 | 0 | 110.9 | R403 I404 L406 L445 T495 | R403-D447 WeakPolarHBondContact CD-OD2 3.41Å; R403-D447 HydrophobicContact CG-CB 4.17Å; R403-D447 IonicContact CZ-OD2 3.18Å; R403-D447 IonicContact NH1-OD2 3.83Å; R403-D447 PolarHBondContact NH1-OD2 2.98Å; I404-D447 PolarHBondContact O-N 3.33Å; L406-D447 WeakPolarHBondContact CB-O 3.34Å; L406-D447 PolarHBondContact N-O 3.44Å; L445-D447 PolarHBondContact O-N 3.3Å; D447-T495 WeakPolarHBondContact CA-OG1 3.31Å; D447-T495 PolarHBondContact OD1-OG1 2.98Å |
| 448 | E | 91.3 | Very high | 85.6 | Confident | 59 Ų | 59 | 41.3 Ų | 41.3 | 28% | 0.276 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.7 | 48.4 | 178.4 | -48.3 | -167.1 | 143.4 | 0 | 0 | 115.4 | D450 K451 T495 | E448-D450 WeakPolarHBondContact CA-OD1 3.3Å; E448-D450 PolarHBondContact O-N 3.22Å; E448-D450 VanDerWaalsContact O-N 3.16Å; E448-K451 HydrophobicContact CB-CB 4.4Å; E448-K451 HydrophobicContact CB-CD 4.2Å; E448-K451 HydrophobicContact CB-CG 4.34Å; E448-K451 PolarHBondContact O-N 3.16Å; E448-K451 VanDerWaalsContact O-N 3.08Å; E448-K451 IonicContact OE1-NZ 3.18Å; E448-K451 PolarHBondContact OE1-NZ 2.94Å; E448-K451 WeakPolarHBondContact OE2-CD 3.43Å; E448-K451 IonicContact OE2-NZ 3.55Å; E448-K451 PolarHBondContact OE2-NZ 3.32Å; E448-T495 WeakPolarHBondContact CA-O 3.18Å; E448-T495 PolarHBondContact N-O 3.1Å; E448-T495 VanDerWaalsContact N-O 3.11Å |
| 449 | V | 91.4 | Very high | 85.2 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -61.4 | -21.6 | 175.9 | -66.3 | 0 | 0 | 0 | 0 | 113.3 | L406 L446 K451 L452 A494 T495 A496 I502 | L406-V449 HydrophobicContact CD1-CG1 3.64Å; L446-V449 HydrophobicContact CB-CG1 3.99Å; V449-K451 PolarHBondContact O-N 3.28Å; V449-L452 WeakPolarHBondContact O-CD1 3.21Å; V449-L452 WeakPolarHBondContact O-CG 3.46Å; V449-A494 HydrophobicContact CG1-CB 4.06Å; V449-A494 HydrophobicContact CG2-CB 4.33Å; V449-T495 WeakPolarHBondContact CG2-O 3.43Å; V449-T495 PolarHBondContact N-O 3.28Å; V449-T495 VanDerWaalsContact N-O 3.08Å; V449-A496 HydrophobicContact CG2-CB 3.85Å; V449-I502 HydrophobicContact CG2-CD1 4.13Å; V449-I502 HydrophobicContact CG2-CG1 4.41Å |
| 450 | D | 89.9 | Confident | 84.9 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 7% | 0.07 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -72.4 | -11.9 | 177.1 | 62.2 | -40.3 | 0 | 0 | 0 | 113.5 | E448 A496 N497 T498 T501 I502 | E448-D450 WeakPolarHBondContact CA-OD1 3.3Å; E448-D450 PolarHBondContact O-N 3.22Å; E448-D450 VanDerWaalsContact O-N 3.16Å; D450-A496 HydrophobicContact CB-CB 3.78Å; D450-N497 VanDerWaalsContact CG-N 3.33Å; D450-N497 WeakPolarHBondContact OD2-CA 3.39Å; D450-N497 VanDerWaalsContact OD2-CB 3.3Å; D450-N497 WeakPolarHBondContact OD2-CB 3.41Å; D450-N497 PolarHBondContact OD2-N 2.75Å; D450-N497 PolarHBondContact OD2-ND2 2.69Å; D450-T498 HydrophobicContact CB-CG2 4.41Å; D450-T498 WeakPolarHBondContact CB-O 3.46Å; D450-T498 PolarHBondContact OD2-N 3.26Å; D450-T501 WeakPolarHBondContact CB-OG1 3.26Å; D450-T501 WeakPolarHBondContact O-CB 3.26Å; D450-T501 PolarHBondContact O-OG1 3.35Å; D450-I502 HydrophobicContact CB-CG1 4.1Å |
| 451 | K | 88 | Confident | 84.7 | Confident | 98 Ų | 98 | 41.4 Ų | 41.4 | 43% | 0.426 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -108.3 | 21.2 | -179.1 | -62.5 | -171.8 | -164 | 165.7 | 0 | 113.6 | G408 E448 V449 G453 | G408-K451 PolarHBondContact N-O 2.77Å; E448-K451 HydrophobicContact CB-CB 4.4Å; E448-K451 HydrophobicContact CB-CD 4.2Å; E448-K451 HydrophobicContact CB-CG 4.34Å; E448-K451 PolarHBondContact O-N 3.16Å; E448-K451 VanDerWaalsContact O-N 3.08Å; E448-K451 IonicContact OE1-NZ 3.18Å; E448-K451 PolarHBondContact OE1-NZ 2.94Å; E448-K451 WeakPolarHBondContact OE2-CD 3.43Å; E448-K451 IonicContact OE2-NZ 3.55Å; E448-K451 PolarHBondContact OE2-NZ 3.32Å; V449-K451 PolarHBondContact O-N 3.28Å; K451-G453 PolarHBondContact O-N 3.5Å |
| 452 | L | 86 | Confident | 84.5 | Confident | 30 Ų | 30 | 43.3 Ų | 43.3 | 16% | 0.157 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -67.9 | 127.2 | 171.8 | -71.9 | 170.4 | 0 | 0 | 0 | 110.2 | L406 V409 V449 P460 L464 L506 | L406-L452 HydrophobicContact CB-CD2 3.95Å; V409-L452 HydrophobicContact CB-CD2 4.16Å; V449-L452 WeakPolarHBondContact O-CD1 3.21Å; V449-L452 WeakPolarHBondContact O-CG 3.46Å; L452-P460 HydrophobicContact CD2-CB 4.32Å; L452-P460 HydrophobicContact CD2-CG 4.25Å; L452-L464 HydrophobicContact CD1-CD1 3.6Å; L452-L464 HydrophobicContact CD2-CD1 4.19Å; L452-L506 HydrophobicContact CD1-CD1 4.2Å |
| 453 | G | 77.5 | Confident | 84.2 | Confident | 22 Ų | 22 | 43.3 Ų | 43.3 | 23% | 0.227 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -96.1 | 143.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | V409 K451 P460 | V409-G453 PolarHBondContact O-N 2.84Å; K451-G453 PolarHBondContact O-N 3.5Å; G453-P460 WeakPolarHBondContact O-CD 3.31Å; G453-P460 WeakPolarHBondContact O-CG 3.2Å |
| 454 | K | 73 | Confident | 84.1 | Confident | 161 Ų | 161 | 43.3 Ų | 43.3 | 70% | 0.7 | 23% | 0.232 | S | C | * | . | P | Polyproline II helix | trans | -91.2 | 124.3 | 167.2 | -68.3 | -171.3 | 177 | -167.4 | 0 | 109.4 | D459 | K454-D459 VanDerWaalsContact CE-OD2 3.31Å; K454-D459 WeakPolarHBondContact CE-OD2 3.2Å; K454-D459 IonicContact NZ-OD2 3.58Å; K454-D459 PolarHBondContact NZ-OD2 2.96Å |
| 455 | S | 72.2 | Confident | 83.8 | Confident | 42 Ų | 42 | 45.7 Ų | 45.7 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -112.7 | 172 | 173.1 | 79.8 | 0 | 0 | 0 | 0 | 112 | C410 Q457 | C410-S455 WeakPolarHBondContact O-CB 3.29Å; C410-S455 PolarHBondContact O-OG 3.12Å; S455-Q457 PolarHBondContact O-N 3Å; S455-Q457 PolarHBondContact OG-N 3.03Å; S455-Q457 VanDerWaalsContact OG-N 3.14Å |
| 456 | L | 58.3 | Low | 83.5 | Confident | 188 Ų | 188 | 46.9 Ų | 46.9 | 98% | 0.984 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -16.6 | 172.1 | -77.1 | 143.4 | 0 | 0 | 0 | 113.2 | ||
| 457 | Q | 63.9 | Low | 83.3 | Confident | 153 Ų | 153 | 46.8 Ų | 46.8 | 72% | 0.715 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -14.5 | -173.9 | -72.3 | 174 | -35 | 0 | 0 | 113.5 | S455 | S455-Q457 PolarHBondContact O-N 3Å; S455-Q457 PolarHBondContact OG-N 3.03Å; S455-Q457 VanDerWaalsContact OG-N 3.14Å |
| 458 | G | 73.2 | Confident | 83 | Confident | 22 Ų | 22 | 46.5 Ų | 46.5 | 23% | 0.227 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | 158.4 | 171.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 459 | D | 82.3 | Confident | 82.7 | Confident | 52 Ų | 52 | 44.5 Ų | 44.5 | 28% | 0.278 | 24% | 0.239 | S | C | . | . | trans | -102.4 | 109.1 | 172.6 | -166 | -15.3 | 0 | 0 | 0 | 109.2 | K454 A461 A462 | K454-D459 VanDerWaalsContact CE-OD2 3.31Å; K454-D459 WeakPolarHBondContact CE-OD2 3.2Å; K454-D459 IonicContact NZ-OD2 3.58Å; K454-D459 PolarHBondContact NZ-OD2 2.96Å; D459-A461 PolarHBondContact O-N 2.92Å; D459-A461 WeakPolarHBondContact OD1-CB 3.43Å; D459-A461 PolarHBondContact OD1-N 3.36Å; D459-A462 HydrophobicContact CB-CB 4.34Å; D459-A462 WeakPolarHBondContact O-CB 3.25Å; D459-A462 PolarHBondContact O-N 3.23Å | ||
| 460 | P | 87.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.8 | -23.4 | 177.1 | 26.3 | -34 | 0 | 0 | 0 | 112.1 | V409 L452 G453 A462 A463 L464 | V409-P460 HydrophobicContact CG1-CB 4.01Å; L452-P460 HydrophobicContact CD2-CB 4.32Å; L452-P460 HydrophobicContact CD2-CG 4.25Å; G453-P460 WeakPolarHBondContact O-CD 3.31Å; G453-P460 WeakPolarHBondContact O-CG 3.2Å; P460-A462 VanDerWaalsContact C-N 3.29Å; P460-A462 PolarHBondContact O-N 3.37Å; P460-A463 WeakPolarHBondContact O-CB 3.36Å; P460-A463 PolarHBondContact O-N 3.02Å; P460-L464 PolarHBondContact O-N 3.09Å |
| 461 | A | 87.4 | Confident | 82 | Confident | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.033 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.1 | -35.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | D459 A463 L464 L465 P503 L506 | D459-A461 PolarHBondContact O-N 2.92Å; D459-A461 WeakPolarHBondContact OD1-CB 3.43Å; D459-A461 PolarHBondContact OD1-N 3.36Å; A461-A463 VanDerWaalsContact C-N 3.33Å; A461-A463 PolarHBondContact O-N 3.12Å; A461-L464 PolarHBondContact O-N 3.02Å; A461-L465 WeakPolarHBondContact O-CG 3.4Å; A461-L465 PolarHBondContact O-N 2.76Å; A461-P503 HydrophobicContact CB-CB 4.15Å; A461-P503 HydrophobicContact CB-CG 3.8Å; A461-L506 HydrophobicContact CB-CD1 3.82Å; A461-L506 HydrophobicContact CB-CG 4.47Å |
| 462 | A | 86.7 | Confident | 81.9 | Confident | 46 Ų | 46 | 52.6 Ų | 52.6 | 38% | 0.38 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -66.6 | -36.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | D459 P460 L465 E466 | D459-A462 HydrophobicContact CB-CB 4.34Å; D459-A462 WeakPolarHBondContact O-CB 3.25Å; D459-A462 PolarHBondContact O-N 3.23Å; P460-A462 VanDerWaalsContact C-N 3.29Å; P460-A462 PolarHBondContact O-N 3.37Å; A462-L465 PolarHBondContact O-N 3.01Å; A462-E466 PolarHBondContact O-N 3.27Å |
| 463 | A | 88.7 | Confident | 82 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.6 | -41.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q412 I415 R416 P460 A461 L465 E466 V467 | Q412-A463 HydrophobicContact CB-CB 4.39Å; Q412-A463 HydrophobicContact CG-CB 3.83Å; I415-A463 HydrophobicContact CB-CB 3.85Å; I415-A463 HydrophobicContact CG1-CB 4.31Å; I415-A463 HydrophobicContact CG2-CB 3.96Å; R416-A463 HydrophobicContact CG-CB 4.26Å; P460-A463 WeakPolarHBondContact O-CB 3.36Å; P460-A463 PolarHBondContact O-N 3.02Å; A461-A463 VanDerWaalsContact C-N 3.33Å; A461-A463 PolarHBondContact O-N 3.12Å; A463-L465 VanDerWaalsContact C-N 3.34Å; A463-E466 PolarHBondContact O-N 3.19Å; A463-V467 WeakPolarHBondContact O-CG2 3.48Å; A463-V467 PolarHBondContact O-N 3.33Å |
| 464 | L | 90.6 | Very high | 82.5 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.8 | -35 | 175.6 | -71.7 | 170.5 | 0 | 0 | 0 | 112.1 | L406 I415 L446 L452 P460 A461 E466 V467 L468 L506 | L406-L464 HydrophobicContact CD1-CD1 3.81Å; L406-L464 HydrophobicContact CD1-CD2 4.29Å; L406-L464 HydrophobicContact CD2-CD1 4.44Å; L406-L464 HydrophobicContact CD2-CD2 4.44Å; I415-L464 HydrophobicContact CD1-CD2 4.06Å; I415-L464 HydrophobicContact CD1-CG 4.49Å; I415-L464 HydrophobicContact CG1-CD2 4.36Å; I415-L464 HydrophobicContact CG1-CG 4.39Å; I415-L464 HydrophobicContact CG2-CD2 4.27Å; L446-L464 HydrophobicContact CD1-CD2 4.4Å; L452-L464 HydrophobicContact CD1-CD1 3.6Å; L452-L464 HydrophobicContact CD2-CD1 4.19Å; P460-L464 PolarHBondContact O-N 3.09Å; A461-L464 PolarHBondContact O-N 3.02Å; L464-E466 VanDerWaalsContact C-N 3.34Å; L464-E466 PolarHBondContact O-N 2.99Å; L464-V467 PolarHBondContact O-N 2.93Å; L464-L468 HydrophobicContact CB-CD1 4.28Å; L464-L468 WeakPolarHBondContact O-CB 3.43Å; L464-L468 WeakPolarHBondContact O-CG 3.41Å; L464-L468 PolarHBondContact O-N 3.24Å; L464-L506 HydrophobicContact CB-CD2 4.16Å |
| 465 | L | 89.3 | Confident | 83.3 | Confident | 50 Ų | 50 | 50.5 Ų | 50.5 | 26% | 0.262 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 176.5 | -78.1 | 167.8 | 0 | 0 | 0 | 112.1 | A461 A462 A463 V467 L468 D469 A505 L506 R509 | A461-L465 WeakPolarHBondContact O-CG 3.4Å; A461-L465 PolarHBondContact O-N 2.76Å; A462-L465 PolarHBondContact O-N 3.01Å; A463-L465 VanDerWaalsContact C-N 3.34Å; L465-V467 VanDerWaalsContact C-N 3.33Å; L465-V467 PolarHBondContact O-N 2.96Å; L465-L468 PolarHBondContact O-N 2.9Å; L465-D469 WeakPolarHBondContact O-CB 3.24Å; L465-D469 PolarHBondContact O-N 3.15Å; L465-A505 HydrophobicContact CD1-CB 3.88Å; L465-A505 HydrophobicContact CD2-CB 4.4Å; L465-A505 WeakPolarHBondContact CD2-O 3.44Å; L465-L506 HydrophobicContact CD2-CD2 3.63Å; L465-L506 HydrophobicContact CD2-CG 4.17Å; L465-L506 HydrophobicContact CG-CD2 3.75Å; L465-L506 HydrophobicContact CG-CG 4.24Å; L465-R509 HydrophobicContact CD2-CG 4.45Å |
| 466 | E | 88.4 | Confident | 84.2 | Confident | 24 Ų | 24 | 48.5 Ų | 48.5 | 11% | 0.112 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 176.1 | -178.4 | -169.3 | -154.5 | 0 | 0 | 112.3 | R416 A462 A463 L464 L468 Q472 F476 | R416-E466 IonicContact CZ-OE2 2.83Å; R416-E466 IonicContact NE-OE2 3.34Å; R416-E466 PolarHBondContact NE-OE2 3.39Å; R416-E466 VanDerWaalsContact NH2-CD 3.32Å; R416-E466 IonicContact NH2-OE1 2.89Å; R416-E466 IonicContact NH2-OE2 3.83Å; R416-E466 PolarHBondContact NH2-OE2 3.28Å; A462-E466 PolarHBondContact O-N 3.27Å; A463-E466 PolarHBondContact O-N 3.19Å; L464-E466 VanDerWaalsContact C-N 3.34Å; L464-E466 PolarHBondContact O-N 2.99Å; E466-L468 VanDerWaalsContact C-N 3.35Å; E466-Q472 HydrophobicContact CG-CB 4.27Å; E466-F476 HydrophobicContact CG-CD2 4.21Å |
| 467 | V | 90.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.9 | -37.6 | 178 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | I415 I430 A463 L464 L465 N473 F476 L487 F492 | I415-V467 HydrophobicContact CG2-CG2 4.17Å; I430-V467 HydrophobicContact CD1-CG1 4.27Å; I430-V467 HydrophobicContact CG1-CG1 4.42Å; I430-V467 HydrophobicContact CG1-CG2 4.24Å; A463-V467 WeakPolarHBondContact O-CG2 3.48Å; A463-V467 PolarHBondContact O-N 3.33Å; L464-V467 PolarHBondContact O-N 2.93Å; L465-V467 VanDerWaalsContact C-N 3.33Å; L465-V467 PolarHBondContact O-N 2.96Å; V467-N473 WeakPolarHBondContact O-CB 3.43Å; V467-F476 HydrophobicContact CG2-CD2 3.7Å; V467-F476 HydrophobicContact CG2-CE2 3.37Å; V467-F476 HydrophobicContact CG2-CZ 3.97Å; V467-L487 HydrophobicContact CG1-CD1 4.01Å; V467-L487 HydrophobicContact CG2-CD1 4.42Å; V467-F492 HydrophobicContact CG1-CD1 4.48Å; V467-F492 HydrophobicContact CG1-CE1 3.53Å; V467-F492 HydrophobicContact CG1-CE2 4.23Å; V467-F492 HydrophobicContact CG1-CZ 3.39Å |
| 468 | L | 87.9 | Confident | 87.1 | Confident | 10 Ų | 10 | 35.1 Ų | 35.1 | 5% | 0.052 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -90.1 | -20.1 | -172.5 | -70.5 | 176.9 | 0 | 0 | 0 | 113.3 | I375 L446 L464 L465 E466 P470 F492 L506 M510 | I375-L468 HydrophobicContact CD1-CB 3.42Å; I375-L468 VanDerWaalsContact CD1-CB 3.42Å; I375-L468 HydrophobicContact CD1-CD1 4.06Å; I375-L468 HydrophobicContact CD1-CD2 3.41Å; I375-L468 VanDerWaalsContact CD1-CD2 3.41Å; I375-L468 HydrophobicContact CD1-CG 3.76Å; I375-L468 HydrophobicContact CG1-CD2 4.33Å; L446-L468 HydrophobicContact CD1-CD1 4.25Å; L446-L468 HydrophobicContact CD1-CD2 3.82Å; L446-L468 HydrophobicContact CD1-CG 4.47Å; L464-L468 HydrophobicContact CB-CD1 4.28Å; L464-L468 WeakPolarHBondContact O-CB 3.43Å; L464-L468 WeakPolarHBondContact O-CG 3.41Å; L464-L468 PolarHBondContact O-N 3.24Å; L465-L468 PolarHBondContact O-N 2.9Å; E466-L468 VanDerWaalsContact C-N 3.35Å; L468-P470 VanDerWaalsContact O-CD 3.3Å; L468-P470 WeakPolarHBondContact O-CD 2.96Å; L468-F492 HydrophobicContact CD2-CB 3.62Å; L468-F492 HydrophobicContact CD2-CD1 3.81Å; L468-F492 HydrophobicContact CD2-CD2 4.07Å; L468-F492 HydrophobicContact CD2-CE1 4.49Å; L468-F492 HydrophobicContact CD2-CG 3.56Å; L468-L506 HydrophobicContact CD1-CD2 3.82Å; L468-M510 HydrophobicContact CD1-CE 4.12Å |
| 469 | D | 85.6 | Confident | 88 | Confident | 18 Ų | 18 | 36.9 Ų | 36.9 | 10% | 0.096 | 20% | 0.199 | C | C | . | . | trans | -75.1 | 117.1 | -179.8 | -169.6 | -8.9 | 0 | 0 | 0 | 110.9 | L465 E471 Q472 N473 | L465-D469 WeakPolarHBondContact O-CB 3.24Å; L465-D469 PolarHBondContact O-N 3.15Å; D469-E471 PolarHBondContact O-N 2.97Å; D469-E471 PolarHBondContact OD1-N 3.47Å; D469-E471 VanDerWaalsContact OD1-N 3.1Å; D469-Q472 HydrophobicContact CB-CB 4.25Å; D469-Q472 HydrophobicContact CB-CG 4.34Å; D469-Q472 PolarHBondContact O-N 3.34Å; D469-Q472 PolarHBondContact OD2-NE2 3.46Å; D469-N473 VanDerWaalsContact O-CB 3.29Å; D469-N473 WeakPolarHBondContact O-CB 3.45Å; D469-N473 PolarHBondContact O-N 3.41Å | ||
| 470 | P | 81.6 | Confident | 88.4 | Confident | 44 Ų | 44 | 35.1 Ų | 35.1 | 29% | 0.286 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -18.1 | 177.9 | -22.7 | 34.2 | 0 | 0 | 0 | 114.4 | K372 L468 N473 | K372-P470 HydrophobicContact CG-CB 4.32Å; L468-P470 VanDerWaalsContact O-CD 3.3Å; L468-P470 WeakPolarHBondContact O-CD 2.96Å; P470-N473 PolarHBondContact O-OD1 2.98Å |
| 471 | E | 83.4 | Confident | 88.6 | Confident | 148 Ų | 148 | 35.1 Ų | 35.1 | 69% | 0.692 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -20.9 | 176 | -64.8 | -170.1 | 167.3 | 0 | 0 | 113.2 | D469 H474 | D469-E471 PolarHBondContact O-N 2.97Å; D469-E471 PolarHBondContact OD1-N 3.47Å; D469-E471 VanDerWaalsContact OD1-N 3.1Å; E471-H474 PolarHBondContact O-CE1 3.12Å; E471-H474 PolarHBondContact O-ND1 3.25Å; E471-H474 VanDerWaalsContact O-ND1 3.13Å |
| 472 | Q | 85.9 | Confident | 88.6 | Confident | 89 Ų | 89 | 41.4 Ų | 41.4 | 42% | 0.416 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | -25.6 | -175.4 | -60.2 | -178.1 | 20.3 | 0 | 0 | 113.2 | E466 D469 H474 S475 | E466-Q472 HydrophobicContact CG-CB 4.27Å; D469-Q472 HydrophobicContact CB-CB 4.25Å; D469-Q472 HydrophobicContact CB-CG 4.34Å; D469-Q472 PolarHBondContact O-N 3.34Å; D469-Q472 PolarHBondContact OD2-NE2 3.46Å; Q472-H474 PolarHBondContact O-N 3.28Å; Q472-H474 VanDerWaalsContact O-N 3.11Å; Q472-S475 PolarHBondContact O-N 3.06Å; Q472-S475 PolarHBondContact O-OG 3.37Å |
| 473 | N | 88.7 | Confident | 88.9 | Confident | 15 Ų | 15 | 39.8 Ų | 39.8 | 8% | 0.08 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -62.2 | -23.1 | -172.5 | 69 | 0.6 | 0 | 0 | 0 | 114.6 | V467 D469 P470 S475 L487 | V467-N473 WeakPolarHBondContact O-CB 3.43Å; D469-N473 VanDerWaalsContact O-CB 3.29Å; D469-N473 WeakPolarHBondContact O-CB 3.45Å; D469-N473 PolarHBondContact O-N 3.41Å; P470-N473 PolarHBondContact O-OD1 2.98Å; N473-S475 PolarHBondContact O-N 3.13Å; N473-L487 HydrophobicContact CB-CB 4.22Å; N473-L487 WeakPolarHBondContact O-CB 3.49Å; N473-L487 PolarHBondContact O-N 2.72Å |
| 474 | H | 88.2 | Confident | 89 | Confident | 102 Ų | 102 | 42.3 Ų | 42.3 | 47% | 0.472 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -70.2 | -21.6 | 176.4 | 71.9 | -87.6 | 0 | 0 | 0 | 113.3 | E471 Q472 D486 | E471-H474 PolarHBondContact O-CE1 3.12Å; E471-H474 PolarHBondContact O-ND1 3.25Å; E471-H474 VanDerWaalsContact O-ND1 3.13Å; Q472-H474 PolarHBondContact O-N 3.28Å; Q472-H474 VanDerWaalsContact O-N 3.11Å; H474-D486 WeakPolarHBondContact CA-OD1 3.5Å; H474-D486 WeakPolarHBondContact O-CA 3.35Å |
| 475 | S | 88.9 | Confident | 89 | Confident | 53 Ų | 53 | 42.5 Ų | 42.5 | 37% | 0.371 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -120.9 | 29.7 | -178.8 | 64.5 | 0 | 0 | 0 | 0 | 112.3 | Q472 N473 T477 | Q472-S475 PolarHBondContact O-N 3.06Å; Q472-S475 PolarHBondContact O-OG 3.37Å; N473-S475 PolarHBondContact O-N 3.13Å; S475-T477 PolarHBondContact O-N 3.48Å |
| 476 | F | 92.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 125.5 | -177 | 172.3 | -104 | 0 | 0 | 0 | 111.1 | R416 I430 I431 E466 V467 D478 A484 F485 L487 | R416-F476 HydrophobicContact CG-CE2 4.15Å; R416-F476 HydrophobicContact CG-CZ 4.25Å; I430-F476 HydrophobicContact CG2-CE1 4.48Å; I431-F476 HydrophobicContact CD1-CE1 4.28Å; I431-F476 HydrophobicContact CG1-CE1 4.43Å; E466-F476 HydrophobicContact CG-CD2 4.21Å; V467-F476 HydrophobicContact CG2-CD2 3.7Å; V467-F476 HydrophobicContact CG2-CE2 3.37Å; V467-F476 HydrophobicContact CG2-CZ 3.97Å; F476-D478 HydrophobicContact CE1-CB 4.07Å; F476-A484 CarbonylContact O-C 3.35Å; F476-A484 WeakPolarHBondContact O-CA 3.43Å; F476-F485 PolarHBondContact N-O 2.82Å; F476-F485 PolarHBondContact O-N 3.02Å; F476-L487 HydrophobicContact CB-CD1 3.71Å; F476-L487 HydrophobicContact CB-CG 4.1Å; F476-L487 HydrophobicContact CD1-CD1 3.63Å; F476-L487 HydrophobicContact CD1-CG 4.32Å; F476-L487 HydrophobicContact CD2-CD1 4.28Å; F476-L487 HydrophobicContact CE1-CD1 4.32Å; F476-L487 HydrophobicContact CG-CD1 3.6Å; F476-L487 HydrophobicContact CG-CG 4.39Å |
| 477 | T | 90.3 | Very high | 89.2 | Confident | 59 Ų | 59 | 42.7 Ų | 42.7 | 36% | 0.362 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 110.2 | 179.3 | 55.3 | 0 | 0 | 0 | 0 | 111.7 | S475 A484 | S475-T477 PolarHBondContact O-N 3.48Å; T477-A484 HydrophobicContact CG2-CB 4.36Å |
| 478 | D | 92.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | trans | -77.5 | 137.9 | 168.1 | -179 | -75.2 | 0 | 0 | 0 | 110 | R416 G428 I431 F476 Y480 L481 N482 | R416-D478 CarbonylContact O-C 3.37Å; R416-D478 WeakPolarHBondContact O-CA 3.47Å; G428-D478 WeakPolarHBondContact CA-OD2 3.3Å; G428-D478 PolarHBondContact N-OD2 3.19Å; I431-D478 HydrophobicContact CD1-CB 4.35Å; I431-D478 HydrophobicContact CG1-CB 3.72Å; I431-D478 WeakPolarHBondContact CG1-OD2 3.29Å; F476-D478 HydrophobicContact CE1-CB 4.07Å; D478-Y480 VanDerWaalsContact C-N 3.27Å; D478-Y480 PolarHBondContact O-N 3.05Å; D478-Y480 WeakPolarHBondContact OD1-CA 3.43Å; D478-Y480 WeakPolarHBondContact OD1-CB 3.44Å; D478-Y480 PolarHBondContact OD1-N 2.98Å; D478-L481 HydrophobicContact CB-CB 3.99Å; D478-L481 PolarHBondContact O-N 3.31Å; D478-L481 PolarHBondContact OD1-N 3.02Å; D478-L481 VanDerWaalsContact OD1-N 3.14Å; D478-N482 WeakPolarHBondContact O-CA 3.46Å; D478-N482 PolarHBondContact O-N 3.1Å | ||
| 479 | H | 91.8 | Very high | 89 | Confident | 58 Ų | 58 | 47.8 Ų | 47.8 | 27% | 0.269 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -26.9 | -177.3 | -65.5 | 160.9 | 0 | 0 | 0 | 113.4 | R416 G417 H418 R419 | R416-H479 PolarHBondContact O-N 3.29Å; G417-H479 PolarHBondContact O-ND1 3.37Å; H418-H479 CarbonylContact O-C 3.51Å; R419-H479 HydrophobicContact CG-CB 4.19Å |
| 480 | Y | 91.8 | Very high | 89.2 | Confident | 15 Ų | 15 | 47.1 Ų | 47.1 | 6% | 0.059 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -45.1 | 175.4 | -171.4 | -92.9 | 0 | 0 | 0 | 110.6 | Y318 L321 H418 R420 S425 P427 D478 | Y318-Y480 HydrophobicContact CD2-CE1 4.16Å; L321-Y480 HydrophobicContact CD2-CD1 3.66Å; L321-Y480 HydrophobicContact CD2-CE1 3.56Å; H418-Y480 WeakPolarHBondContact O-CA 3.4Å; H418-Y480 VanDerWaalsContact O-CB 3.31Å; H418-Y480 WeakPolarHBondContact O-CB 3.46Å; H418-Y480 PolarHBondContact O-N 2.98Å; R420-Y480 HydrophobicContact CG-CE2 4.32Å; S425-Y480 WeakPolarHBondContact O-CE2 3.49Å; P427-Y480 HydrophobicContact CB-CD1 4.02Å; P427-Y480 HydrophobicContact CB-CG 4.18Å; P427-Y480 HydrophobicContact CG-CD1 4.43Å; D478-Y480 VanDerWaalsContact C-N 3.27Å; D478-Y480 PolarHBondContact O-N 3.05Å; D478-Y480 WeakPolarHBondContact OD1-CA 3.43Å; D478-Y480 WeakPolarHBondContact OD1-CB 3.44Å; D478-Y480 PolarHBondContact OD1-N 2.98Å |
| 481 | L | 90.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -42.6 | -178.7 | -152.3 | 77.6 | 0 | 0 | 0 | 112.1 | Y318 L321 M322 L325 W327 D478 V483 F485 | Y318-L481 PolarHBondContact OH-O 3.2Å; L321-L481 HydrophobicContact CD2-CD1 4.29Å; M322-L481 HydrophobicContact SD-CD1 3.41Å; M322-L481 WeakPolarHBondContact SD-CD1 3.46Å; M322-L481 HydrophobicContact SD-CD2 4.45Å; M322-L481 HydrophobicContact SD-CG 3.84Å; L325-L481 HydrophobicContact CD1-CD1 3.57Å; L325-L481 HydrophobicContact CD1-CD2 4.24Å; W327-L481 HydrophobicContact CH2-CD2 4.23Å; D478-L481 HydrophobicContact CB-CB 3.99Å; D478-L481 PolarHBondContact O-N 3.31Å; D478-L481 PolarHBondContact OD1-N 3.02Å; D478-L481 VanDerWaalsContact OD1-N 3.14Å; L481-V483 HydrophobicContact CD2-CB 4.25Å; L481-V483 HydrophobicContact CG-CB 4.35Å; L481-V483 PolarHBondContact O-N 3.39Å; L481-F485 HydrophobicContact CD2-CB 4.43Å; L481-F485 HydrophobicContact CD2-CD2 4.38Å |
| 482 | N | 89.3 | Confident | 90 | Very high | 136 Ų | 136 | 38.8 Ų | 38.8 | 73% | 0.727 | 21% | 0.211 | S | C | * | . | trans | 52.2 | 29.6 | -174 | -162 | 48.1 | 0 | 0 | 0 | 113.9 | D478 | D478-N482 WeakPolarHBondContact O-CA 3.46Å; D478-N482 PolarHBondContact O-N 3.1Å | ||
| 483 | V | 91.1 | Very high | 90.4 | Very high | 13 Ų | 13 | 34.6 Ų | 34.6 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -134.3 | 143.9 | 176 | 178.4 | 0 | 0 | 0 | 0 | 107.1 | A291 V294 M322 W327 L481 F485 | A291-V483 HydrophobicContact CB-CG1 3.94Å; V294-V483 HydrophobicContact CB-CG2 4.41Å; V294-V483 HydrophobicContact CG1-CG2 4.39Å; V294-V483 HydrophobicContact CG2-CG2 4.21Å; M322-V483 HydrophobicContact CE-CG2 4.45Å; W327-V483 HydrophobicContact CH2-CG1 4.33Å; L481-V483 HydrophobicContact CD2-CB 4.25Å; L481-V483 HydrophobicContact CG-CB 4.35Å; L481-V483 PolarHBondContact O-N 3.39Å; V483-F485 PolarHBondContact O-N 3.15Å |
| 484 | A | 90.8 | Very high | 90.6 | Very high | 53 Ų | 53 | 33.9 Ų | 33.9 | 44% | 0.438 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 130 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F476 T477 | F476-A484 CarbonylContact O-C 3.35Å; F476-A484 WeakPolarHBondContact O-CA 3.43Å; T477-A484 HydrophobicContact CG2-CB 4.36Å |
| 485 | F | 91.3 | Very high | 90.9 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 133.2 | 174.6 | -162.3 | -81.3 | 0 | 0 | 0 | 109.4 | L325 W327 I431 L434 F476 L481 V483 L487 | L325-F485 HydrophobicContact CB-CE2 4.14Å; L325-F485 HydrophobicContact CD1-CE2 4.43Å; W327-F485 HydrophobicContact CD2-CE2 4.09Å; W327-F485 AromaticContact CE3-CD2 3.97Å; W327-F485 HydrophobicContact CE3-CD2 3.97Å; W327-F485 AromaticContact CE3-CE2 3.84Å; W327-F485 HydrophobicContact CE3-CE2 3.84Å; W327-F485 AromaticContact CH2-CD2 3.88Å; W327-F485 HydrophobicContact CH2-CD2 3.88Å; W327-F485 HydrophobicContact CH2-CE2 4.29Å; W327-F485 HydrophobicContact CZ2-CD2 4.45Å; W327-F485 HydrophobicContact CZ2-CE2 4.48Å; W327-F485 AromaticContact CZ3-CD2 3.61Å; W327-F485 HydrophobicContact CZ3-CD2 3.61Å; W327-F485 AromaticContact CZ3-CE2 3.96Å; W327-F485 HydrophobicContact CZ3-CE2 3.96Å; I431-F485 HydrophobicContact CD1-CB 4.41Å; I431-F485 HydrophobicContact CD1-CG 4.39Å; L434-F485 HydrophobicContact CD1-CD1 3.84Å; L434-F485 HydrophobicContact CD1-CE1 3.43Å; L434-F485 VanDerWaalsContact CD1-CE1 3.43Å; L434-F485 HydrophobicContact CD1-CZ 4Å; F476-F485 PolarHBondContact N-O 2.82Å; F476-F485 PolarHBondContact O-N 3.02Å; L481-F485 HydrophobicContact CD2-CB 4.43Å; L481-F485 HydrophobicContact CD2-CD2 4.38Å; V483-F485 PolarHBondContact O-N 3.15Å; F485-L487 HydrophobicContact CD1-CD2 3.84Å; F485-L487 HydrophobicContact CE1-CD2 4.29Å; F485-L487 PolarHBondContact O-N 2.89Å |
| 486 | D | 90.9 | Very high | 91.1 | Very high | 78 Ų | 78 | 26.6 Ų | 26.6 | 42% | 0.417 | 15% | 0.148 | S | C | . | . | trans | -83.4 | 111.4 | -178 | -176.2 | 4.6 | 0 | 0 | 0 | 110.7 | H474 S488 | H474-D486 WeakPolarHBondContact CA-OD1 3.5Å; H474-D486 WeakPolarHBondContact O-CA 3.35Å; D486-S488 VanDerWaalsContact CG-OG 3.29Å; D486-S488 WeakPolarHBondContact OD1-CB 3.47Å; D486-S488 PolarHBondContact OD1-N 3.43Å; D486-S488 PolarHBondContact OD1-OG 3.06Å; D486-S488 PolarHBondContact OD2-OG 2.93Å | ||
| 487 | L | 90.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -99.5 | 6 | 175.1 | -58.2 | 177.8 | 0 | 0 | 0 | 112.8 | I430 L434 V467 N473 F476 F485 Q489 V490 | I430-L487 HydrophobicContact CG2-CD1 3.84Å; I430-L487 HydrophobicContact CG2-CD2 3.95Å; L434-L487 HydrophobicContact CD1-CD2 3.66Å; V467-L487 HydrophobicContact CG1-CD1 4.01Å; V467-L487 HydrophobicContact CG2-CD1 4.42Å; N473-L487 HydrophobicContact CB-CB 4.22Å; N473-L487 WeakPolarHBondContact O-CB 3.49Å; N473-L487 PolarHBondContact O-N 2.72Å; F476-L487 HydrophobicContact CB-CD1 3.71Å; F476-L487 HydrophobicContact CB-CG 4.1Å; F476-L487 HydrophobicContact CD1-CD1 3.63Å; F476-L487 HydrophobicContact CD1-CG 4.32Å; F476-L487 HydrophobicContact CD2-CD1 4.28Å; F476-L487 HydrophobicContact CE1-CD1 4.32Å; F476-L487 HydrophobicContact CG-CD1 3.6Å; F476-L487 HydrophobicContact CG-CG 4.39Å; F485-L487 HydrophobicContact CD1-CD2 3.84Å; F485-L487 HydrophobicContact CE1-CD2 4.29Å; F485-L487 PolarHBondContact O-N 2.89Å; L487-Q489 PolarHBondContact O-N 3.16Å; L487-Q489 VanDerWaalsContact O-N 3.14Å; L487-V490 HydrophobicContact CB-CG2 4.27Å; L487-V490 HydrophobicContact CD2-CG2 4.12Å; L487-V490 WeakPolarHBondContact O-CB 3.45Å; L487-V490 PolarHBondContact O-N 3.42Å | ||
| 488 | S | 87.6 | Confident | 90.6 | Very high | 31 Ų | 31 | 27.7 Ų | 27.7 | 22% | 0.217 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24.8 | -174.2 | 67.3 | 0 | 0 | 0 | 0 | 114.1 | L371 D486 | L371-S488 WeakPolarHBondContact CD1-O 3.4Å; D486-S488 VanDerWaalsContact CG-OG 3.29Å; D486-S488 WeakPolarHBondContact OD1-CB 3.47Å; D486-S488 PolarHBondContact OD1-N 3.43Å; D486-S488 PolarHBondContact OD1-OG 3.06Å; D486-S488 PolarHBondContact OD2-OG 2.93Å |
| 489 | Q | 86.9 | Confident | 90.3 | Very high | 86 Ų | 86 | 30.2 Ų | 30.2 | 40% | 0.402 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -10.9 | 179.4 | -63.4 | -60.6 | -38.1 | 0 | 0 | 113.9 | R399 N441 L487 | R399-Q489 PolarHBondContact NH1-O 2.92Å; N441-Q489 HydrophobicContact CB-CB 3.98Å; L487-Q489 PolarHBondContact O-N 3.16Å; L487-Q489 VanDerWaalsContact O-N 3.14Å |
| 490 | V | 90.3 | Very high | 89.8 | Confident | 5 Ų | 5 | 31.7 Ų | 31.7 | 3% | 0.03 | 19% | 0.191 | C | C | . | . | trans | -76.4 | 131.4 | -179.4 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | L434 P442 F444 L487 F492 | L434-V490 HydrophobicContact CD2-CG2 4.4Å; P442-V490 HydrophobicContact CG-CG1 4.35Å; F444-V490 HydrophobicContact CB-CG1 4.17Å; F444-V490 HydrophobicContact CD2-CG1 3.61Å; F444-V490 HydrophobicContact CE2-CG1 4.15Å; F444-V490 HydrophobicContact CG-CG1 3.87Å; L487-V490 HydrophobicContact CB-CG2 4.27Å; L487-V490 HydrophobicContact CD2-CG2 4.12Å; L487-V490 WeakPolarHBondContact O-CB 3.45Å; L487-V490 PolarHBondContact O-N 3.42Å; V490-F492 HydrophobicContact CB-CD2 4.46Å; V490-F492 HydrophobicContact CB-CE2 3.78Å; V490-F492 HydrophobicContact CB-CZ 3.98Å; V490-F492 HydrophobicContact CG1-CD1 4.48Å; V490-F492 HydrophobicContact CG1-CD2 4.26Å; V490-F492 HydrophobicContact CG1-CE1 4.05Å; V490-F492 HydrophobicContact CG1-CE2 3.79Å; V490-F492 HydrophobicContact CG1-CZ 3.67Å | ||
| 491 | L | 89.9 | Confident | 89.5 | Confident | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 114.6 | 173.4 | 176.9 | 63.2 | 0 | 0 | 0 | 109.6 | Y361 L371 I393 L397 P442 V443 F444 I493 | Y361-L491 HydrophobicContact CE1-CD1 3.97Å; Y361-L491 WeakPolarHBondContact OH-CD1 3.48Å; L371-L491 HydrophobicContact CD2-CD1 4.29Å; I393-L491 HydrophobicContact CG2-CD2 4.38Å; L397-L491 HydrophobicContact CD1-CD2 3.69Å; P442-L491 PolarHBondContact O-N 3.43Å; V443-L491 CarbonylContact C-O 3.56Å; V443-L491 WeakPolarHBondContact CA-O 3.46Å; V443-L491 HydrophobicContact CG1-CD2 4.2Å; V443-L491 HydrophobicContact CG1-CG 4.36Å; V443-L491 HydrophobicContact CG2-CB 4.22Å; V443-L491 HydrophobicContact CG2-CD2 4Å; F444-L491 PolarHBondContact N-O 3.22Å; L491-I493 HydrophobicContact CD2-CD1 4.48Å; L491-I493 HydrophobicContact CG-CG1 4.4Å |
| 492 | F | 91.7 | Very high | 89.5 | Confident | 13 Ų | 13 | 35.2 Ų | 35.2 | 6% | 0.057 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 134.1 | 174.6 | -63.1 | -86 | 0 | 0 | 0 | 111.2 | I375 F444 L446 V467 L468 V490 | I375-F492 HydrophobicContact CG2-CB 4.28Å; F444-F492 HydrophobicContact CB-CD1 3.93Å; F444-F492 HydrophobicContact CB-CE1 4.14Å; F444-F492 HydrophobicContact CD2-CD1 4.39Å; F444-F492 AromaticContact CD2-CE1 3.74Å; F444-F492 HydrophobicContact CD2-CE1 3.74Å; F444-F492 HydrophobicContact CD2-CZ 4.33Å; F444-F492 HydrophobicContact CG-CE1 4.45Å; F444-F492 WeakPolarHBondContact O-CA 3.45Å; L446-F492 HydrophobicContact CD1-CD1 4.25Å; L446-F492 HydrophobicContact CG-CD1 4.43Å; V467-F492 HydrophobicContact CG1-CD1 4.48Å; V467-F492 HydrophobicContact CG1-CE1 3.53Å; V467-F492 HydrophobicContact CG1-CE2 4.23Å; V467-F492 HydrophobicContact CG1-CZ 3.39Å; L468-F492 HydrophobicContact CD2-CB 3.62Å; L468-F492 HydrophobicContact CD2-CD1 3.81Å; L468-F492 HydrophobicContact CD2-CD2 4.07Å; L468-F492 HydrophobicContact CD2-CE1 4.49Å; L468-F492 HydrophobicContact CD2-CG 3.56Å; V490-F492 HydrophobicContact CB-CD2 4.46Å; V490-F492 HydrophobicContact CB-CE2 3.78Å; V490-F492 HydrophobicContact CB-CZ 3.98Å; V490-F492 HydrophobicContact CG1-CD1 4.48Å; V490-F492 HydrophobicContact CG1-CD2 4.26Å; V490-F492 HydrophobicContact CG1-CE1 4.05Å; V490-F492 HydrophobicContact CG1-CE2 3.79Å; V490-F492 HydrophobicContact CG1-CZ 3.67Å |
| 493 | I | 93.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 128.6 | 171.1 | -57.8 | 177.1 | 0 | 0 | 0 | 106.9 | F378 I393 V443 F444 L445 L446 L491 | F378-I493 HydrophobicContact CD2-CG2 3.93Å; F378-I493 HydrophobicContact CE2-CG2 3.5Å; F378-I493 HydrophobicContact CZ-CG2 4.06Å; I393-I493 HydrophobicContact CB-CD1 4.33Å; I393-I493 HydrophobicContact CD1-CD1 4Å; I393-I493 HydrophobicContact CG2-CD1 4.07Å; V443-I493 HydrophobicContact CG1-CD1 3.7Å; V443-I493 HydrophobicContact CG1-CG1 4.22Å; F444-I493 PolarHBondContact O-N 3.26Å; L445-I493 CarbonylContact C-O 3.55Å; L445-I493 WeakPolarHBondContact CA-O 3.43Å; L445-I493 HydrophobicContact CD1-CB 3.87Å; L445-I493 HydrophobicContact CD1-CG2 3.66Å; L446-I493 PolarHBondContact N-O 3.08Å; L491-I493 HydrophobicContact CD2-CD1 4.48Å; L491-I493 HydrophobicContact CG-CG1 4.4Å |
| 494 | A | 94.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 150.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L376 C377 F378 L446 V449 M510 | L376-A494 PolarHBondContact O-N 3.04Å; C377-A494 CarbonylContact C-O 3.59Å; C377-A494 WeakPolarHBondContact CA-O 3.25Å; C377-A494 HydrophobicContact CB-CB 4.13Å; F378-A494 PolarHBondContact N-O 3.23Å; L446-A494 HydrophobicContact CB-CB 4.47Å; L446-A494 CarbonylContact O-C 3.5Å; L446-A494 WeakPolarHBondContact O-CA 3.45Å; V449-A494 HydrophobicContact CG1-CB 4.06Å; V449-A494 HydrophobicContact CG2-CB 4.33Å; A494-M510 HydrophobicContact CB-CE 4.11Å; A494-M510 HydrophobicContact CB-SD 4.27Å |
| 495 | T | 94.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 142.7 | 169.3 | 68.5 | 0 | 0 | 0 | 0 | 111 | F378 K386 L445 L446 D447 E448 V449 | F378-T495 HydrophobicContact CB-CG2 4.29Å; F378-T495 HydrophobicContact CD2-CG2 4.16Å; F378-T495 CarbonylContact O-C 3.24Å; F378-T495 VanDerWaalsContact O-CA 3.31Å; F378-T495 WeakPolarHBondContact O-CA 3.32Å; K386-T495 HydrophobicContact CB-CG2 3.98Å; L445-T495 HydrophobicContact CD1-CG2 3.67Å; L445-T495 HydrophobicContact CG-CG2 4.34Å; L446-T495 PolarHBondContact O-N 3.09Å; D447-T495 WeakPolarHBondContact CA-OG1 3.31Å; D447-T495 PolarHBondContact OD1-OG1 2.98Å; E448-T495 WeakPolarHBondContact CA-O 3.18Å; E448-T495 PolarHBondContact N-O 3.1Å; E448-T495 VanDerWaalsContact N-O 3.11Å; V449-T495 WeakPolarHBondContact CG2-O 3.43Å; V449-T495 PolarHBondContact N-O 3.28Å; V449-T495 VanDerWaalsContact N-O 3.08Å |
| 496 | A | 92.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 161.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | F378 V379 G380 K386 V449 D450 I502 | F378-A496 PolarHBondContact O-N 3.17Å; V379-A496 WeakPolarHBondContact CA-O 3.36Å; V379-A496 HydrophobicContact CG2-CB 4.19Å; G380-A496 PolarHBondContact N-O 3.02Å; K386-A496 VanDerWaalsContact CE-O 3.29Å; K386-A496 WeakPolarHBondContact CE-O 3.38Å; V449-A496 HydrophobicContact CG2-CB 3.85Å; D450-A496 HydrophobicContact CB-CB 3.78Å; A496-I502 HydrophobicContact CB-CD1 3.7Å; A496-I502 HydrophobicContact CB-CG1 4.4Å |
| 497 | N | 89.4 | Confident | 89 | Confident | 42 Ų | 42 | 32.6 Ų | 32.6 | 23% | 0.225 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -94.7 | -34.8 | 171.4 | -53 | -66.4 | 0 | 0 | 0 | 112 | G380 K386 D450 | G380-N497 VanDerWaalsContact O-CA 3.29Å; G380-N497 WeakPolarHBondContact O-CA 3.4Å; G380-N497 PolarHBondContact O-OD1 3.34Å; K386-N497 PolarHBondContact NZ-OD1 2.94Å; K386-N497 VanDerWaalsContact NZ-OD1 3.13Å; D450-N497 VanDerWaalsContact CG-N 3.33Å; D450-N497 WeakPolarHBondContact OD2-CA 3.39Å; D450-N497 VanDerWaalsContact OD2-CB 3.3Å; D450-N497 WeakPolarHBondContact OD2-CB 3.41Å; D450-N497 PolarHBondContact OD2-N 2.75Å; D450-N497 PolarHBondContact OD2-ND2 2.69Å |
| 498 | T | 82.4 | Confident | 88.8 | Confident | 40 Ų | 40 | 39.1 Ų | 39.1 | 25% | 0.245 | 24% | 0.241 | C | C | . | . | trans | -134.4 | 147.4 | 176.1 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | D450 A500 T501 | D450-T498 HydrophobicContact CB-CG2 4.41Å; D450-T498 WeakPolarHBondContact CB-O 3.46Å; D450-T498 PolarHBondContact OD2-N 3.26Å; T498-A500 VanDerWaalsContact C-N 3.34Å; T498-A500 PolarHBondContact OG1-N 3.48Å; T498-A500 VanDerWaalsContact OG1-N 3.16Å; T498-T501 HydrophobicContact CG2-CG2 4.12Å; T498-T501 WeakPolarHBondContact CG2-OG1 3.38Å | ||
| 499 | T | 86.5 | Confident | 88.8 | Confident | 55 Ų | 55 | 43.9 Ų | 43.9 | 34% | 0.337 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -76.4 | -23.2 | 170 | 48.5 | 0 | 0 | 0 | 0 | 112.5 | V379 T501 I502 V512 | V379-T499 HydrophobicContact CB-CG2 4.46Å; V379-T499 HydrophobicContact CG1-CG2 4.1Å; V379-T499 HydrophobicContact CG2-CG2 3.95Å; T499-T501 VanDerWaalsContact C-N 3.3Å; T499-T501 PolarHBondContact O-N 2.72Å; T499-I502 PolarHBondContact O-N 3.36Å; T499-V512 HydrophobicContact CG2-CG1 3.85Å; T499-V512 HydrophobicContact CG2-CG2 4.49Å |
| 500 | A | 82.2 | Confident | 88.9 | Confident | 88 Ų | 88 | 40.6 Ų | 40.6 | 73% | 0.727 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -29 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | T498 | T498-A500 VanDerWaalsContact C-N 3.34Å; T498-A500 PolarHBondContact OG1-N 3.48Å; T498-A500 VanDerWaalsContact OG1-N 3.16Å |
| 501 | T | 85.3 | Confident | 88.9 | Confident | 81 Ų | 81 | 42.2 Ų | 42.2 | 50% | 0.497 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -4 | -178.6 | 57 | 0 | 0 | 0 | 0 | 113.1 | D450 T498 T499 | D450-T501 WeakPolarHBondContact CB-OG1 3.26Å; D450-T501 WeakPolarHBondContact O-CB 3.26Å; D450-T501 PolarHBondContact O-OG1 3.35Å; T498-T501 HydrophobicContact CG2-CG2 4.12Å; T498-T501 WeakPolarHBondContact CG2-OG1 3.38Å; T499-T501 VanDerWaalsContact C-N 3.3Å; T499-T501 PolarHBondContact O-N 2.72Å |
| 502 | I | 89.6 | Confident | 88.9 | Confident | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -74.5 | 131.7 | 177.7 | -57 | 177.9 | 0 | 0 | 0 | 108.9 | V449 D450 A496 T499 L506 L507 | V449-I502 HydrophobicContact CG2-CD1 4.13Å; V449-I502 HydrophobicContact CG2-CG1 4.41Å; D450-I502 HydrophobicContact CB-CG1 4.1Å; A496-I502 HydrophobicContact CB-CD1 3.7Å; A496-I502 HydrophobicContact CB-CG1 4.4Å; T499-I502 PolarHBondContact O-N 3.36Å; I502-L506 HydrophobicContact CG2-CB 4.3Å; I502-L507 HydrophobicContact CD1-CD1 4.35Å; I502-L507 HydrophobicContact CG2-CB 4.4Å; I502-L507 HydrophobicContact CG2-CD1 4.34Å |
| 503 | P | 88.6 | Confident | 88.8 | Confident | 24 Ų | 24 | 45 Ų | 45 | 16% | 0.156 | 26% | 0.264 | C | S | . | . | trans | -55.3 | 131 | 174.3 | -27.3 | 35.7 | 0 | 0 | 0 | 112.1 | A461 A505 L506 L507 | A461-P503 HydrophobicContact CB-CB 4.15Å; A461-P503 HydrophobicContact CB-CG 3.8Å; P503-A505 VanDerWaalsContact C-N 3.27Å; P503-A505 PolarHBondContact O-N 3.28Å; P503-L506 HydrophobicContact CB-CD1 4.3Å; P503-L506 HydrophobicContact CG-CD1 4.11Å; P503-L506 WeakPolarHBondContact O-CB 3.31Å; P503-L506 PolarHBondContact O-N 2.71Å; P503-L507 PolarHBondContact O-N 3.22Å; P503-L507 VanDerWaalsContact O-N 3.1Å | ||
| 504 | P | 88.8 | Confident | 88.3 | Confident | 98 Ų | 98 | 52.4 Ų | 52.4 | 64% | 0.636 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -55.4 | -38.6 | -176.3 | -28.8 | 34.8 | 0 | 0 | 0 | 114 | L506 L507 D508 | P504-L506 VanDerWaalsContact C-N 3.26Å; P504-L506 PolarHBondContact O-N 2.92Å; P504-L507 WeakPolarHBondContact O-CB 3.42Å; P504-L507 PolarHBondContact O-N 3.34Å; P504-L507 VanDerWaalsContact O-N 3.09Å; P504-D508 PolarHBondContact O-N 3.22Å |
| 505 | A | 87.9 | Confident | 87.9 | Confident | 53 Ų | 53 | 52.6 Ų | 52.6 | 44% | 0.438 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.7 | -32.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L465 P503 | L465-A505 HydrophobicContact CD1-CB 3.88Å; L465-A505 HydrophobicContact CD2-CB 4.4Å; L465-A505 WeakPolarHBondContact CD2-O 3.44Å; P503-A505 VanDerWaalsContact C-N 3.27Å; P503-A505 PolarHBondContact O-N 3.28Å |
| 506 | L | 88.6 | Confident | 87.1 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -77.4 | -40.3 | 173.5 | -75.2 | 172.7 | 0 | 0 | 0 | 110.8 | L452 A461 L464 L465 L468 I502 P503 P504 D508 R509 M510 | L452-L506 HydrophobicContact CD1-CD1 4.2Å; A461-L506 HydrophobicContact CB-CD1 3.82Å; A461-L506 HydrophobicContact CB-CG 4.47Å; L464-L506 HydrophobicContact CB-CD2 4.16Å; L465-L506 HydrophobicContact CD2-CD2 3.63Å; L465-L506 HydrophobicContact CD2-CG 4.17Å; L465-L506 HydrophobicContact CG-CD2 3.75Å; L465-L506 HydrophobicContact CG-CG 4.24Å; L468-L506 HydrophobicContact CD1-CD2 3.82Å; I502-L506 HydrophobicContact CG2-CB 4.3Å; P503-L506 HydrophobicContact CB-CD1 4.3Å; P503-L506 HydrophobicContact CG-CD1 4.11Å; P503-L506 WeakPolarHBondContact O-CB 3.31Å; P503-L506 PolarHBondContact O-N 2.71Å; P504-L506 VanDerWaalsContact C-N 3.26Å; P504-L506 PolarHBondContact O-N 2.92Å; L506-D508 VanDerWaalsContact C-N 3.31Å; L506-D508 PolarHBondContact O-N 3.03Å; L506-R509 PolarHBondContact O-N 3.35Å; L506-R509 VanDerWaalsContact O-N 3.1Å; L506-M510 HydrophobicContact CB-CE 4.06Å; L506-M510 HydrophobicContact CD2-CE 4.4Å; L506-M510 VanDerWaalsContact O-CG 3.3Å; L506-M510 WeakPolarHBondContact O-CG 3.41Å; L506-M510 PolarHBondContact O-N 3.45Å |
| 507 | L | 89.4 | Confident | 86.6 | Confident | 53 Ų | 53 | 55.3 Ų | 55.3 | 28% | 0.277 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.7 | -40.5 | -179.1 | -164.9 | 70.6 | 0 | 0 | 0 | 112 | I502 P503 P504 R509 M510 V512 | I502-L507 HydrophobicContact CD1-CD1 4.35Å; I502-L507 HydrophobicContact CG2-CB 4.4Å; I502-L507 HydrophobicContact CG2-CD1 4.34Å; P503-L507 PolarHBondContact O-N 3.22Å; P503-L507 VanDerWaalsContact O-N 3.1Å; P504-L507 WeakPolarHBondContact O-CB 3.42Å; P504-L507 PolarHBondContact O-N 3.34Å; P504-L507 VanDerWaalsContact O-N 3.09Å; L507-R509 PolarHBondContact O-N 3.48Å; L507-M510 PolarHBondContact O-N 2.9Å; L507-M510 VanDerWaalsContact O-O 3.11Å; L507-V512 HydrophobicContact CD1-CG2 3.59Å; L507-V512 HydrophobicContact CG-CG2 4.49Å |
| 508 | D | 86.9 | Confident | 86.3 | Confident | 138 Ų | 138 | 54.1 Ų | 54.1 | 74% | 0.738 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -21.8 | 178.2 | -73.7 | -9 | 0 | 0 | 0 | 113.5 | P504 L506 | P504-D508 PolarHBondContact O-N 3.22Å; L506-D508 VanDerWaalsContact C-N 3.31Å; L506-D508 PolarHBondContact O-N 3.03Å |
| 509 | R | 85.9 | Confident | 86.3 | Confident | 131 Ų | 131 | 52.4 Ų | 52.4 | 49% | 0.494 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -5.2 | 176.7 | -58 | -60.4 | -165.5 | 176.3 | 9.2 | 112.7 | I375 L465 L506 L507 | I375-R509 PolarHBondContact N-O 2.86Å; I375-R509 VanDerWaalsContact N-O 3.12Å; L465-R509 HydrophobicContact CD2-CG 4.45Å; L506-R509 PolarHBondContact O-N 3.35Å; L506-R509 VanDerWaalsContact O-N 3.1Å; L507-R509 PolarHBondContact O-N 3.48Å |
| 510 | M | 90 | Very high | 86.1 | Confident | 16 Ų | 16 | 52.3 Ų | 52.3 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 140.7 | -176.5 | -71 | 176.6 | -173.6 | 0 | 0 | 111.3 | I375 C377 L468 A494 L506 L507 | I375-M510 HydrophobicContact CB-CG 4.38Å; I375-M510 CarbonylContact O-C 3.6Å; I375-M510 VanDerWaalsContact O-CA 3.31Å; I375-M510 WeakPolarHBondContact O-CA 3.37Å; C377-M510 HydrophobicContact CB-CB 3.89Å; C377-M510 HydrophobicContact CB-CG 4.15Å; C377-M510 HydrophobicContact CB-SD 3.91Å; L468-M510 HydrophobicContact CD1-CE 4.12Å; A494-M510 HydrophobicContact CB-CE 4.11Å; A494-M510 HydrophobicContact CB-SD 4.27Å; L506-M510 HydrophobicContact CB-CE 4.06Å; L506-M510 HydrophobicContact CD2-CE 4.4Å; L506-M510 VanDerWaalsContact O-CG 3.3Å; L506-M510 WeakPolarHBondContact O-CG 3.41Å; L506-M510 PolarHBondContact O-N 3.45Å; L507-M510 PolarHBondContact O-N 2.9Å; L507-M510 VanDerWaalsContact O-O 3.11Å |
| 511 | E | 89.6 | Confident | 86.2 | Confident | 40 Ų | 40 | 53.3 Ų | 53.3 | 19% | 0.187 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 108.7 | 164.4 | -166.6 | -176.9 | 148.6 | 0 | 0 | 109.2 | R357 P374 I375 C377 L513 | R357-E511 IonicContact CZ-OE1 3.41Å; R357-E511 IonicContact CZ-OE2 2.78Å; R357-E511 IonicContact NE-OE1 3.2Å; R357-E511 PolarHBondContact NE-OE1 2.86Å; R357-E511 IonicContact NE-OE2 2.8Å; R357-E511 IonicContact NH2-OE1 3.47Å; R357-E511 PolarHBondContact NH2-OE1 2.85Å; R357-E511 IonicContact NH2-OE2 3.72Å; R357-E511 PolarHBondContact NH2-OE2 2.73Å; P374-E511 HydrophobicContact CB-CB 4.05Å; P374-E511 HydrophobicContact CG-CB 4.12Å; I375-E511 PolarHBondContact O-N 2.95Å; C377-E511 PolarHBondContact N-O 3.01Å; E511-L513 PolarHBondContact O-N 3.09Å |
| 512 | V | 90.3 | Very high | 86.2 | Confident | 51 Ų | 51 | 51.5 Ų | 51.5 | 31% | 0.309 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 119.2 | -176.6 | 179.3 | 0 | 0 | 0 | 0 | 110.7 | V379 T499 L507 | V379-V512 HydrophobicContact CB-CG1 4.28Å; V379-V512 HydrophobicContact CG2-CG1 3.69Å; T499-V512 HydrophobicContact CG2-CG1 3.85Å; T499-V512 HydrophobicContact CG2-CG2 4.49Å; L507-V512 HydrophobicContact CD1-CG2 3.59Å; L507-V512 HydrophobicContact CG-CG2 4.49Å |
| 513 | L | 89.8 | Confident | 86.3 | Confident | 25 Ų | 25 | 51.4 Ų | 51.4 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 114.1 | 175.6 | -61.9 | 175.9 | 0 | 0 | 0 | 109.9 | R357 L376 C377 F378 V379 E511 | R357-L513 HydrophobicContact CB-CD1 4.29Å; R357-L513 HydrophobicContact CB-CD2 4.28Å; R357-L513 HydrophobicContact CG-CD1 3.84Å; R357-L513 HydrophobicContact CG-CD2 3.67Å; R357-L513 HydrophobicContact CG-CG 4.41Å; L376-L513 HydrophobicContact CD2-CD1 3.99Å; C377-L513 PolarHBondContact O-N 2.82Å; F378-L513 HydrophobicContact CD1-CB 4.11Å; F378-L513 HydrophobicContact CD1-CD1 4.16Å; F378-L513 HydrophobicContact CE1-CD1 3.84Å; V379-L513 PolarHBondContact N-O 3.47Å; E511-L513 PolarHBondContact O-N 3.09Å |
| 514 | Q | 83.4 | Confident | 86.4 | Confident | 155 Ų | 155 | 51.4 Ų | 51.4 | 72% | 0.724 | 27% | 0.27 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 125.7 | 179.5 | -65.4 | -172.7 | 5.1 | 0 | 0 | 111.1 | V379 | V379-Q514 CarbonylContact O-C 3.53Å; V379-Q514 WeakPolarHBondContact O-CA 3.49Å |
| 515 | V | 85.4 | Confident | 86.5 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.024 | 25% | 0.251 | C | S | . | . | trans | -108.5 | 102 | 176 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | M351 L354 F378 V379 G380 P381 V384 | M351-V515 HydrophobicContact CE-CB 4.44Å; M351-V515 HydrophobicContact CE-CG1 3.15Å; M351-V515 HydrophobicContact CE-CG2 4.49Å; L354-V515 HydrophobicContact CD1-CG2 3.39Å; F378-V515 HydrophobicContact CB-CG2 4.31Å; V379-V515 PolarHBondContact O-N 3.34Å; G380-V515 WeakPolarHBondContact CA-O 3.33Å; P381-V515 WeakPolarHBondContact CD-O 3.35Å; V384-V515 HydrophobicContact CB-CG1 3.89Å; V384-V515 HydrophobicContact CG2-CB 4.08Å; V384-V515 HydrophobicContact CG2-CG1 3.5Å | ||
| 516 | P | 78 | Confident | 86.7 | Confident | 48 Ų | 48 | 47.1 Ų | 47.1 | 31% | 0.312 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -70 | 167.2 | 179.9 | 30.8 | -35.4 | 0 | 0 | 0 | 111.5 | K770 | P516-K770 HydrophobicContact CB-CD 4.43Š|
| 517 | G | 80.3 | Confident | 86.9 | Confident | 11 Ų | 11 | 47.1 Ų | 47.1 | 11% | 0.113 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -67.3 | 169.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A564 | G517-A564 WeakPolarHBondContact CA-O 3.27Š|
| 518 | Y | 84.1 | Confident | 87 | Confident | 17 Ų | 17 | 47.2 Ų | 47.2 | 7% | 0.067 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -97.3 | 146.1 | -179.5 | -55.9 | -66.9 | 0 | 0 | 0 | 112.3 | M351 V384 E522 I526 A564 V566 | M351-Y518 HydrophobicContact CG-CE1 4.18Å; V384-Y518 HydrophobicContact CB-CE2 4.2Å; V384-Y518 HydrophobicContact CG1-CE2 4.43Å; V384-Y518 PolarHBondContact O-OH 3.25Å; Y518-E522 WeakPolarHBondContact CA-OE2 3.43Å; Y518-E522 HydrophobicContact CD1-CB 4.42Å; Y518-I526 HydrophobicContact CD1-CD1 3.58Å; Y518-I526 HydrophobicContact CD2-CD1 3.87Å; Y518-I526 HydrophobicContact CE1-CD1 3.58Å; Y518-I526 HydrophobicContact CE2-CD1 3.83Å; Y518-I526 HydrophobicContact CG-CD1 3.73Å; Y518-A564 PolarHBondContact N-O 2.98Å; Y518-V566 HydrophobicContact CD2-CG1 3.99Å; Y518-V566 HydrophobicContact CE2-CG1 4.33Å |
| 519 | T | 81.4 | Confident | 87.2 | Confident | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -68.7 | 164.8 | 165.7 | 61.2 | 0 | 0 | 0 | 0 | 111.3 | E521 E522 K523 L774 V801 | T519-E521 VanDerWaalsContact C-N 3.32Å; T519-E521 PolarHBondContact O-N 3.06Å; T519-E522 PolarHBondContact N-OE2 3.21Å; T519-E522 PolarHBondContact O-N 3.29Å; T519-E522 VanDerWaalsContact OG1-CB 3.31Å; T519-E522 WeakPolarHBondContact OG1-CB 3.49Å; T519-E522 VanDerWaalsContact OG1-CD 3.22Å; T519-E522 WeakPolarHBondContact OG1-CG 2.86Å; T519-E522 PolarHBondContact OG1-N 3.14Å; T519-E522 PolarHBondContact OG1-OE2 3.34Å; T519-K523 VanDerWaalsContact O-CG 3.29Å; T519-K523 WeakPolarHBondContact O-CG 3.45Å; T519-K523 PolarHBondContact O-N 3.29Å; T519-L774 HydrophobicContact CG2-CD2 3.74Å; T519-V801 HydrophobicContact CG2-CG2 3.97Å |
| 520 | Q | 81.8 | Confident | 87.5 | Confident | 52 Ų | 52 | 42.6 Ų | 42.6 | 24% | 0.243 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -39.9 | 178.3 | -70.3 | -177.6 | 1 | 0 | 0 | 112.1 | K523 L524 I557 R778 | Q520-K523 PolarHBondContact O-N 2.75Å; Q520-L524 PolarHBondContact O-N 2.86Å; Q520-I557 HydrophobicContact CB-CG2 4.43Å; Q520-I557 HydrophobicContact CG-CG2 4.1Å; Q520-R778 HydrophobicContact CG-CG 4.38Å |
| 521 | E | 84.4 | Confident | 87.6 | Confident | 109 Ų | 109 | 42.5 Ų | 42.5 | 51% | 0.509 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.3 | -47.1 | 176.3 | -61.8 | 177.3 | 167.7 | 0 | 0 | 111.4 | T519 K523 L524 E525 N800 | T519-E521 VanDerWaalsContact C-N 3.32Å; T519-E521 PolarHBondContact O-N 3.06Å; E521-K523 VanDerWaalsContact C-N 3.3Å; E521-K523 PolarHBondContact O-N 2.96Å; E521-L524 WeakPolarHBondContact O-CB 3.11Å; E521-L524 PolarHBondContact O-N 3.49Å; E521-L524 VanDerWaalsContact O-N 3.15Å; E521-E525 PolarHBondContact O-N 3.12Å; E521-N800 PolarHBondContact OE2-ND2 3.14Å |
| 522 | E | 87.2 | Confident | 87.7 | Confident | 43 Ų | 43 | 41.5 Ų | 41.5 | 20% | 0.201 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.6 | -40.3 | 175.6 | -73.2 | 166.6 | 150.6 | 0 | 0 | 111.7 | Y349 A350 Y518 T519 L524 E525 I526 | Y349-E522 HydrophobicContact CD1-CB 4.45Å; Y349-E522 HydrophobicContact CE1-CB 4.28Å; Y349-E522 HydrophobicContact CE1-CG 4.06Å; A350-E522 HydrophobicContact CB-CG 4.22Å; Y518-E522 WeakPolarHBondContact CA-OE2 3.43Å; Y518-E522 HydrophobicContact CD1-CB 4.42Å; T519-E522 PolarHBondContact N-OE2 3.21Å; T519-E522 PolarHBondContact O-N 3.29Å; T519-E522 VanDerWaalsContact OG1-CB 3.31Å; T519-E522 WeakPolarHBondContact OG1-CB 3.49Å; T519-E522 VanDerWaalsContact OG1-CD 3.22Å; T519-E522 WeakPolarHBondContact OG1-CG 2.86Å; T519-E522 PolarHBondContact OG1-N 3.14Å; T519-E522 PolarHBondContact OG1-OE2 3.34Å; E522-L524 VanDerWaalsContact C-N 3.31Å; E522-L524 PolarHBondContact O-N 3.47Å; E522-E525 PolarHBondContact O-N 3.41Å; E522-I526 WeakPolarHBondContact O-CB 3.32Å; E522-I526 WeakPolarHBondContact O-CD1 3.39Å; E522-I526 WeakPolarHBondContact O-CG1 3.3Å; E522-I526 PolarHBondContact O-N 3.22Å |
| 523 | K | 90.2 | Very high | 87.8 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64 | -36.7 | 176.2 | -72 | -173.6 | -171.3 | -159.8 | 0 | 112.6 | T519 Q520 E521 A527 I557 E563 A564 G565 V566 L569 | T519-K523 VanDerWaalsContact O-CG 3.29Å; T519-K523 WeakPolarHBondContact O-CG 3.45Å; T519-K523 PolarHBondContact O-N 3.29Å; Q520-K523 PolarHBondContact O-N 2.75Å; E521-K523 VanDerWaalsContact C-N 3.3Å; E521-K523 PolarHBondContact O-N 2.96Å; K523-A527 VanDerWaalsContact O-CB 3.26Å; K523-A527 WeakPolarHBondContact O-CB 3.49Å; K523-A527 PolarHBondContact O-N 3.06Å; K523-I557 HydrophobicContact CB-CD1 3.84Å; K523-I557 HydrophobicContact CB-CG1 4.44Å; K523-I557 HydrophobicContact CD-CG2 4.21Å; K523-E563 PolarHBondContact NZ-O 2.93Å; K523-A564 WeakPolarHBondContact CE-O 3.41Å; K523-G565 WeakPolarHBondContact CE-O 3.41Å; K523-G565 PolarHBondContact NZ-O 2.94Å; K523-V566 HydrophobicContact CB-CG1 4.36Å; K523-V566 HydrophobicContact CD-CG1 4.31Å; K523-V566 HydrophobicContact CG-CG1 3.83Å; K523-L569 HydrophobicContact CB-CD2 4.24Å |
| 524 | L | 91.5 | Very high | 87.9 | Confident | 24 Ų | 24 | 44 Ų | 44 | 13% | 0.126 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.5 | -47.7 | 176.9 | -173 | 150.8 | 0 | 0 | 0 | 110.3 | Q520 E521 E522 I526 A527 H528 Q550 Q554 I557 | Q520-L524 PolarHBondContact O-N 2.86Å; E521-L524 WeakPolarHBondContact O-CB 3.11Å; E521-L524 PolarHBondContact O-N 3.49Å; E521-L524 VanDerWaalsContact O-N 3.15Å; E522-L524 VanDerWaalsContact C-N 3.31Å; E522-L524 PolarHBondContact O-N 3.47Å; L524-I526 PolarHBondContact O-N 3.07Å; L524-A527 WeakPolarHBondContact O-CB 3.4Å; L524-A527 PolarHBondContact O-N 3.14Å; L524-H528 PolarHBondContact O-CD2 3.29Å; L524-H528 PolarHBondContact O-N 3.3Å; L524-Q550 HydrophobicContact CD1-CB 4.37Å; L524-Q550 HydrophobicContact CD2-CB 4.48Å; L524-Q550 HydrophobicContact CD2-CG 4.06Å; L524-Q554 HydrophobicContact CD1-CB 4.15Å; L524-I557 HydrophobicContact CB-CD1 4.16Å |
| 525 | E | 91.3 | Very high | 88.4 | Confident | 51 Ų | 51 | 37.2 Ų | 37.2 | 24% | 0.238 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.7 | -44.5 | 175.3 | -74.9 | -66.2 | 143.1 | 0 | 0 | 112.2 | Y349 E521 E522 A527 H528 R529 | Y349-E525 HydrophobicContact CD1-CB 3.78Å; Y349-E525 HydrophobicContact CD2-CB 4.29Å; Y349-E525 HydrophobicContact CE1-CB 3.56Å; Y349-E525 HydrophobicContact CE1-CG 4Å; Y349-E525 HydrophobicContact CE2-CB 4.1Å; Y349-E525 HydrophobicContact CE2-CG 4.29Å; Y349-E525 HydrophobicContact CG-CB 4.14Å; E521-E525 PolarHBondContact O-N 3.12Å; E522-E525 PolarHBondContact O-N 3.41Å; E525-A527 VanDerWaalsContact C-N 3.29Å; E525-A527 PolarHBondContact O-N 3.42Å; E525-H528 PolarHBondContact O-N 3.13Å; E525-R529 WeakPolarHBondContact O-CB 3.27Å; E525-R529 VanDerWaalsContact O-CG 3.32Å; E525-R529 WeakPolarHBondContact O-CG 3.44Å; E525-R529 PolarHBondContact O-N 3.48Å; E525-R529 IonicContact OE2-CZ 3.08Å; E525-R529 VanDerWaalsContact OE2-CZ 3.23Å; E525-R529 IonicContact OE2-NE 2.69Å; E525-R529 PolarHBondContact OE2-NE 3.42Å; E525-R529 IonicContact OE2-NH2 3.95Å; E525-R529 PolarHBondContact OE2-NH2 3.46Å |
| 526 | I | 91.9 | Very high | 88.6 | Confident | 11 Ų | 11 | 37.6 Ų | 37.6 | 6% | 0.056 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.5 | -41.1 | 175.8 | -69.3 | 162.3 | 0 | 0 | 0 | 111 | Y349 Y518 E522 L524 H530 L531 V566 | Y349-I526 HydrophobicContact CD1-CG1 4.11Å; Y349-I526 HydrophobicContact CG-CG1 4.39Å; Y518-I526 HydrophobicContact CD1-CD1 3.58Å; Y518-I526 HydrophobicContact CD2-CD1 3.87Å; Y518-I526 HydrophobicContact CE1-CD1 3.58Å; Y518-I526 HydrophobicContact CE2-CD1 3.83Å; Y518-I526 HydrophobicContact CG-CD1 3.73Å; E522-I526 WeakPolarHBondContact O-CB 3.32Å; E522-I526 WeakPolarHBondContact O-CD1 3.39Å; E522-I526 WeakPolarHBondContact O-CG1 3.3Å; E522-I526 PolarHBondContact O-N 3.22Å; L524-I526 PolarHBondContact O-N 3.07Å; I526-H530 PolarHBondContact O-N 3.19Å; I526-L531 HydrophobicContact CG2-CD1 4.22Å; I526-L531 HydrophobicContact CG2-CD2 4.48Å; I526-L531 HydrophobicContact CG2-CG 4.1Å; I526-L531 PolarHBondContact O-N 3.23Å; I526-V566 HydrophobicContact CG2-CG1 4.24Å; I526-V566 HydrophobicContact CG2-CG2 4.33Å |
| 527 | A | 93.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | I | π-helix | trans | -62.2 | -48.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K523 L524 E525 L531 I532 T553 L569 I573 | K523-A527 VanDerWaalsContact O-CB 3.26Å; K523-A527 WeakPolarHBondContact O-CB 3.49Å; K523-A527 PolarHBondContact O-N 3.06Å; L524-A527 WeakPolarHBondContact O-CB 3.4Å; L524-A527 PolarHBondContact O-N 3.14Å; E525-A527 VanDerWaalsContact C-N 3.29Å; E525-A527 PolarHBondContact O-N 3.42Å; A527-L531 HydrophobicContact CB-CD1 4.28Å; A527-L531 PolarHBondContact O-N 2.99Å; A527-I532 WeakPolarHBondContact O-CB 3.49Å; A527-I532 WeakPolarHBondContact O-CG1 3.08Å; A527-I532 PolarHBondContact O-N 3.23Å; A527-T553 HydrophobicContact CB-CG2 3.74Å; A527-L569 HydrophobicContact CB-CD2 4.17Å; A527-I573 HydrophobicContact CB-CD1 4.14Å |
| 528 | H | 91.5 | Very high | 89.8 | Confident | 56 Ų | 56 | 48.6 Ų | 48.6 | 26% | 0.259 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -73.1 | -38.2 | -178.3 | -80.4 | -86.7 | 0 | 0 | 0 | 113.7 | L524 E525 P533 L548 T553 | L524-H528 PolarHBondContact O-CD2 3.29Å; L524-H528 PolarHBondContact O-N 3.3Å; E525-H528 PolarHBondContact O-N 3.13Å; H528-P533 WeakPolarHBondContact O-CD 3.46Å; H528-L548 PolarHBondContact CE1-O 3.25Å; H528-T553 PolarHBondContact NE2-OG1 3.11Å |
| 529 | R | 90.7 | Very high | 90.2 | Very high | 133 Ų | 133 | 50.3 Ų | 50.3 | 50% | 0.502 | 24% | 0.239 | S | C | . | . | I | π-helix | trans | -78.4 | -32.8 | -178.4 | -65.9 | -177 | -167.5 | -154 | 2.9 | 113.7 | E525 | E525-R529 WeakPolarHBondContact O-CB 3.27Å; E525-R529 VanDerWaalsContact O-CG 3.32Å; E525-R529 WeakPolarHBondContact O-CG 3.44Å; E525-R529 PolarHBondContact O-N 3.48Å; E525-R529 IonicContact OE2-CZ 3.08Å; E525-R529 VanDerWaalsContact OE2-CZ 3.23Å; E525-R529 IonicContact OE2-NE 2.69Å; E525-R529 PolarHBondContact OE2-NE 3.42Å; E525-R529 IonicContact OE2-NH2 3.95Å; E525-R529 PolarHBondContact OE2-NH2 3.46Å |
| 530 | H | 91 | Very high | 90.5 | Very high | 39 Ų | 39 | 53.2 Ų | 53.2 | 18% | 0.181 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -128.4 | -51.8 | -169.4 | -52.4 | -55 | 0 | 0 | 0 | 113.6 | N346 I526 N534 | N346-H530 PolarHBondContact O-CE1 3.43Å; I526-H530 PolarHBondContact O-N 3.19Å; H530-N534 VanDerWaalsContact O-CB 3.26Å; H530-N534 WeakPolarHBondContact O-CB 3.46Å; H530-N534 PolarHBondContact O-N 3.17Å; H530-N534 VanDerWaalsContact O-N 3.13Å; H530-N534 PolarHBondContact O-ND2 3.32Å; H530-N534 VanDerWaalsContact O-ND2 3.11Å |
| 531 | L | 92.3 | Very high | 90.8 | Very high | 14 Ų | 14 | 51.4 Ų | 51.4 | 7% | 0.073 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -70.2 | -47.3 | -169.9 | -53.6 | 177.8 | 0 | 0 | 0 | 112.6 | I526 A527 N534 Q535 V566 L569 E570 I573 | I526-L531 HydrophobicContact CG2-CD1 4.22Å; I526-L531 HydrophobicContact CG2-CD2 4.48Å; I526-L531 HydrophobicContact CG2-CG 4.1Å; I526-L531 PolarHBondContact O-N 3.23Å; A527-L531 HydrophobicContact CB-CD1 4.28Å; A527-L531 PolarHBondContact O-N 2.99Å; L531-N534 PolarHBondContact O-N 3.06Å; L531-Q535 VanDerWaalsContact O-CB 3.32Å; L531-Q535 WeakPolarHBondContact O-CB 3.37Å; L531-Q535 WeakPolarHBondContact O-CG 3.27Å; L531-Q535 PolarHBondContact O-N 3.36Å; L531-V566 HydrophobicContact CD1-CB 3.9Å; L531-V566 HydrophobicContact CD1-CG1 4.44Å; L531-V566 HydrophobicContact CD1-CG2 4.15Å; L531-V566 HydrophobicContact CD2-CG2 4.32Å; L531-L569 HydrophobicContact CD1-CD2 4.01Å; L531-L569 HydrophobicContact CD1-CG 4.14Å; L531-E570 HydrophobicContact CD2-CB 4.34Å; L531-E570 HydrophobicContact CD2-CG 4.43Å; L531-I573 HydrophobicContact CB-CD1 4.04Å; L531-I573 HydrophobicContact CD1-CD1 4.28Å |
| 532 | I | 92.7 | Very high | 90.9 | Very high | 19 Ų | 19 | 49.1 Ų | 49.1 | 10% | 0.097 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.1 | -51.5 | -179.2 | -66.5 | 168.3 | 0 | 0 | 0 | 110.4 | A527 N534 Q535 L536 L548 I573 | A527-I532 WeakPolarHBondContact O-CB 3.49Å; A527-I532 WeakPolarHBondContact O-CG1 3.08Å; A527-I532 PolarHBondContact O-N 3.23Å; I532-N534 PolarHBondContact O-N 2.95Å; I532-Q535 PolarHBondContact O-N 3.45Å; I532-L536 HydrophobicContact CG2-CD1 3.95Å; I532-L536 HydrophobicContact CG2-CG 4.27Å; I532-L536 VanDerWaalsContact O-CG 3.27Å; I532-L536 WeakPolarHBondContact O-CG 3.23Å; I532-L536 PolarHBondContact O-N 2.78Å; I532-L548 HydrophobicContact CD1-CB 4.26Å; I532-I573 HydrophobicContact CG1-CD1 4.18Å; I532-I573 HydrophobicContact CG1-CG2 4.06Å |
| 533 | P | 92.3 | Very high | 90.6 | Very high | 56 Ų | 56 | 51.8 Ų | 51.8 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.1 | -45.8 | 176.2 | -26.5 | 35.2 | 0 | 0 | 0 | 113.4 | H528 Q535 L536 E537 | H528-P533 WeakPolarHBondContact O-CD 3.46Å; P533-Q535 PolarHBondContact O-N 3.43Å; P533-L536 PolarHBondContact O-N 3.41Å; P533-E537 PolarHBondContact O-N 3.26Å |
| 534 | N | 91.4 | Very high | 90.2 | Very high | 73 Ų | 73 | 59 Ų | 59 | 39% | 0.39 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 179.5 | -70.5 | -15.9 | 0 | 0 | 0 | 112.2 | H530 L531 I532 Q538 | H530-N534 VanDerWaalsContact O-CB 3.26Å; H530-N534 WeakPolarHBondContact O-CB 3.46Å; H530-N534 PolarHBondContact O-N 3.17Å; H530-N534 VanDerWaalsContact O-N 3.13Å; H530-N534 PolarHBondContact O-ND2 3.32Å; H530-N534 VanDerWaalsContact O-ND2 3.11Å; L531-N534 PolarHBondContact O-N 3.06Å; I532-N534 PolarHBondContact O-N 2.95Å; N534-Q538 WeakPolarHBondContact O-CB 3.39Å; N534-Q538 VanDerWaalsContact O-CG 3.24Å; N534-Q538 WeakPolarHBondContact O-CG 3.16Å; N534-Q538 PolarHBondContact O-N 3.39Å |
| 535 | Q | 93.3 | Very high | 89.7 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 6% | 0.056 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -70.6 | -35.3 | 178 | -72.7 | -64.5 | -42.1 | 0 | 0 | 112 | L531 I532 P533 H539 E570 I573 | L531-Q535 VanDerWaalsContact O-CB 3.32Å; L531-Q535 WeakPolarHBondContact O-CB 3.37Å; L531-Q535 WeakPolarHBondContact O-CG 3.27Å; L531-Q535 PolarHBondContact O-N 3.36Å; I532-Q535 PolarHBondContact O-N 3.45Å; P533-Q535 PolarHBondContact O-N 3.43Å; Q535-H539 WeakPolarHBondContact O-CB 3.41Å; Q535-H539 PolarHBondContact O-N 2.84Å; Q535-H539 VanDerWaalsContact O-N 3.17Å; Q535-H539 PolarHBondContact O-ND1 3.49Å; Q535-H539 PolarHBondContact OE1-CE1 3.48Å; Q535-E570 HydrophobicContact CG-CG 4.34Å; Q535-E570 PolarHBondContact NE2-OE1 3.03Å; Q535-I573 HydrophobicContact CB-CG2 4.04Å; Q535-I573 HydrophobicContact CG-CG2 4.02Å |
| 536 | L | 91.5 | Very high | 89.4 | Confident | 11 Ų | 11 | 57.4 Ų | 57.4 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.2 | -50 | 172.5 | -72.3 | 172.7 | 0 | 0 | 0 | 110.9 | I532 P533 Q538 H539 G540 L541 P543 L546 | I532-L536 HydrophobicContact CG2-CD1 3.95Å; I532-L536 HydrophobicContact CG2-CG 4.27Å; I532-L536 VanDerWaalsContact O-CG 3.27Å; I532-L536 WeakPolarHBondContact O-CG 3.23Å; I532-L536 PolarHBondContact O-N 2.78Å; P533-L536 PolarHBondContact O-N 3.41Å; L536-Q538 PolarHBondContact O-N 2.89Å; L536-H539 CarbonylContact O-C 3.47Å; L536-H539 PolarHBondContact O-N 2.84Å; L536-G540 PolarHBondContact O-N 3.38Å; L536-L541 CarbonylContact C-O 3.59Å; L536-L541 HydrophobicContact CB-CB 4.45Å; L536-L541 HydrophobicContact CD2-CB 3.58Å; L536-L541 HydrophobicContact CD2-CD1 4.21Å; L536-L541 PolarHBondContact O-N 3.21Å; L536-P543 HydrophobicContact CD1-CG 4.41Å; L536-L546 HydrophobicContact CD2-CB 3.93Å; L536-L546 HydrophobicContact CD2-CD2 3.88Å; L536-L546 HydrophobicContact CD2-CG 4.26Å |
| 537 | E | 91.6 | Very high | 89.1 | Confident | 159 Ų | 159 | 60.7 Ų | 60.7 | 74% | 0.743 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.2 | -46.2 | 178.6 | -170.8 | -179.9 | -175 | 0 | 0 | 111.8 | P533 H539 G540 | P533-E537 PolarHBondContact O-N 3.26Å; E537-H539 PolarHBondContact O-N 3.37Å; E537-G540 PolarHBondContact O-N 3.13Å |
| 538 | Q | 91.6 | Very high | 88.9 | Confident | 131 Ų | 131 | 61.3 Ų | 61.3 | 61% | 0.612 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.6 | -29.6 | 178.6 | -76.1 | 174.3 | 14.3 | 0 | 0 | 113.9 | N534 L536 | N534-Q538 WeakPolarHBondContact O-CB 3.39Å; N534-Q538 VanDerWaalsContact O-CG 3.24Å; N534-Q538 WeakPolarHBondContact O-CG 3.16Å; N534-Q538 PolarHBondContact O-N 3.39Å; L536-Q538 PolarHBondContact O-N 2.89Å |
| 539 | H | 91.4 | Very high | 88.8 | Confident | 54 Ų | 54 | 60.4 Ų | 60.4 | 25% | 0.25 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | 6.5 | -179.2 | -64.9 | 82.4 | 0 | 0 | 0 | 112.9 | Q535 L536 E537 L541 C577 R578 | Q535-H539 WeakPolarHBondContact O-CB 3.41Å; Q535-H539 PolarHBondContact O-N 2.84Å; Q535-H539 VanDerWaalsContact O-N 3.17Å; Q535-H539 PolarHBondContact O-ND1 3.49Å; Q535-H539 PolarHBondContact OE1-CE1 3.48Å; L536-H539 CarbonylContact O-C 3.47Å; L536-H539 PolarHBondContact O-N 2.84Å; E537-H539 PolarHBondContact O-N 3.37Å; H539-L541 HydrophobicContact CB-CD1 4.47Å; H539-L541 HydrophobicContact CB-CG 4.43Å; H539-L541 PolarHBondContact O-N 2.94Å; H539-C577 HydrophobicContact CB-CB 4.28Å; H539-R578 VanDerWaalsContact CD2-CG 3.45Å; H539-R578 WeakPolarHBondContact CD2-CG 3.37Å; H539-R578 WeakPolarHBondContact NE2-CG 3.35Å |
| 540 | G | 88.2 | Confident | 88.7 | Confident | 64 Ų | 64 | 59.1 Ų | 59.1 | 66% | 0.66 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 25.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | L536 E537 | L536-G540 PolarHBondContact O-N 3.38Å; E537-G540 PolarHBondContact O-N 3.13Å |
| 541 | L | 87.9 | Confident | 88.6 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 7% | 0.073 | 34% | 0.338 | C | S | . | . | trans | -95.4 | 149.2 | 177.6 | -67.2 | 175.5 | 0 | 0 | 0 | 110.8 | L536 H539 L546 C577 V580 A581 V584 | L536-L541 CarbonylContact C-O 3.59Å; L536-L541 HydrophobicContact CB-CB 4.45Å; L536-L541 HydrophobicContact CD2-CB 3.58Å; L536-L541 HydrophobicContact CD2-CD1 4.21Å; L536-L541 PolarHBondContact O-N 3.21Å; H539-L541 HydrophobicContact CB-CD1 4.47Å; H539-L541 HydrophobicContact CB-CG 4.43Å; H539-L541 PolarHBondContact O-N 2.94Å; L541-L546 HydrophobicContact CD1-CD2 4.22Å; L541-C577 HydrophobicContact CD1-CB 4.04Å; L541-C577 WeakPolarHBondContact CD1-O 3.3Å; L541-V580 HydrophobicContact CD1-CB 4.38Å; L541-V580 HydrophobicContact CD1-CG1 4.3Å; L541-A581 HydrophobicContact CD1-CB 4.41Å; L541-A581 HydrophobicContact CD2-CB 4.21Å; L541-A581 HydrophobicContact CG-CB 4.44Å; L541-V584 HydrophobicContact CD2-CG2 4.47Å | ||
| 542 | T | 85.9 | Confident | 88.5 | Confident | 61 Ų | 61 | 61.6 Ų | 61.6 | 37% | 0.374 | 34% | 0.336 | S | S | . | . | trans | -103.1 | 156.8 | 173.3 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | Q544 Q545 L546 | T542-Q544 PolarHBondContact O-N 2.91Å; T542-Q545 PolarHBondContact O-N 2.85Å; T542-Q545 VanDerWaalsContact OG1-CG 3.27Å; T542-Q545 WeakPolarHBondContact OG1-CG 3.49Å; T542-Q545 PolarHBondContact OG1-OE1 2.83Å; T542-L546 PolarHBondContact O-N 3.2Å | ||
| 543 | P | 81.9 | Confident | 88.4 | Confident | 100 Ų | 100 | 60.8 Ų | 60.8 | 65% | 0.649 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -17.8 | 175 | -24.8 | 34.4 | 0 | 0 | 0 | 114.3 | L536 | L536-P543 HydrophobicContact CD1-CG 4.41Š|
| 544 | Q | 80.4 | Confident | 88.2 | Confident | 158 Ų | 158 | 62.5 Ų | 62.5 | 74% | 0.738 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -16.2 | 176.3 | -63.2 | 179.7 | -3.3 | 0 | 0 | 113.1 | T542 P612 | T542-Q544 PolarHBondContact O-N 2.91Å; Q544-P612 VanDerWaalsContact O-CA 3.29Å; Q544-P612 WeakPolarHBondContact O-CA 3.42Å; Q544-P612 VanDerWaalsContact O-CB 3.32Å; Q544-P612 WeakPolarHBondContact O-CB 3.42Å |
| 545 | Q | 81.3 | Confident | 88 | Confident | 32 Ų | 32 | 60.5 Ų | 60.5 | 15% | 0.15 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -31.6 | -178.7 | -64.9 | 171.7 | -40.5 | 0 | 0 | 112.1 | T542 M611 I613 | T542-Q545 PolarHBondContact O-N 2.85Å; T542-Q545 VanDerWaalsContact OG1-CG 3.27Å; T542-Q545 WeakPolarHBondContact OG1-CG 3.49Å; T542-Q545 PolarHBondContact OG1-OE1 2.83Å; Q545-M611 HydrophobicContact CB-CE 3.65Å; Q545-M611 HydrophobicContact CG-CE 3.4Å; Q545-I613 WeakPolarHBondContact O-CB 3.4Å; Q545-I613 PolarHBondContact O-N 2.86Å |
| 546 | L | 85.4 | Confident | 87.9 | Confident | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 120.8 | -178.5 | 174.8 | 54.1 | 0 | 0 | 0 | 110.4 | L536 L541 T542 V580 I615 | L536-L546 HydrophobicContact CD2-CB 3.93Å; L536-L546 HydrophobicContact CD2-CD2 3.88Å; L536-L546 HydrophobicContact CD2-CG 4.26Å; L541-L546 HydrophobicContact CD1-CD2 4.22Å; T542-L546 PolarHBondContact O-N 3.2Å; L546-V580 HydrophobicContact CB-CG1 4.19Å; L546-V580 HydrophobicContact CD1-CG1 4.37Å; L546-V580 HydrophobicContact CD1-CG2 3.81Å; L546-V580 HydrophobicContact CD2-CB 4.48Å; L546-V580 HydrophobicContact CD2-CG2 4.35Å; L546-I615 HydrophobicContact CD1-CD1 4.2Å; L546-I615 HydrophobicContact CD1-CG1 3.47Å; L546-I615 VanDerWaalsContact CD1-CG1 3.47Å |
| 547 | L | 86.2 | Confident | 87.8 | Confident | 81 Ų | 81 | 59.9 Ų | 59.9 | 42% | 0.424 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 122.2 | 170.5 | -170.4 | 137.8 | 0 | 0 | 0 | 109.6 | P549 P612 I613 V614 I615 | L547-P549 HydrophobicContact CD2-CG 4.04Å; L547-P549 WeakPolarHBondContact O-CD 3.29Å; L547-P612 HydrophobicContact CB-CB 4.05Å; L547-P612 HydrophobicContact CB-CG 4.24Å; L547-I613 PolarHBondContact N-O 2.73Å; L547-I613 VanDerWaalsContact N-O 3.11Å; L547-V614 HydrophobicContact CB-CG2 4.46Å; L547-V614 HydrophobicContact CD2-CG1 4.22Å; L547-V614 HydrophobicContact CD2-CG2 4.34Å; L547-V614 WeakPolarHBondContact O-CA 3.18Å; L547-I615 PolarHBondContact O-N 2.86Å |
| 548 | L | 87.6 | Confident | 87.3 | Confident | 13 Ų | 13 | 53.8 Ų | 53.8 | 7% | 0.068 | 30% | 0.296 | C | S | . | . | trans | -112.7 | 102.9 | -179.8 | -145.6 | 152.4 | 0 | 0 | 0 | 107.7 | H528 I532 T553 I576 I615 | H528-L548 PolarHBondContact CE1-O 3.25Å; I532-L548 HydrophobicContact CD1-CB 4.26Å; L548-T553 WeakPolarHBondContact CD2-OG1 3.33Å; L548-I576 HydrophobicContact CD1-CD1 3.91Å; L548-I576 HydrophobicContact CD1-CG2 4Å; L548-I615 HydrophobicContact CG-CB 4.38Å | ||
| 549 | P | 89.8 | Confident | 87 | Confident | 37 Ų | 37 | 53.3 Ų | 53.3 | 24% | 0.24 | 29% | 0.289 | C | S | . | . | trans | -62.3 | 155.3 | -179.6 | -22.6 | 33.4 | 0 | 0 | 0 | 112.9 | L547 D551 S552 T553 V614 I615 | L547-P549 HydrophobicContact CD2-CG 4.04Å; L547-P549 WeakPolarHBondContact O-CD 3.29Å; P549-D551 VanDerWaalsContact C-N 3.3Å; P549-D551 PolarHBondContact O-N 3.29Å; P549-S552 WeakPolarHBondContact O-CB 3.38Å; P549-S552 PolarHBondContact O-N 2.82Å; P549-S552 VanDerWaalsContact O-N 3.15Å; P549-T553 PolarHBondContact O-N 3.41Å; P549-T553 PolarHBondContact O-OG1 3.46Å; P549-V614 HydrophobicContact CG-CG1 3.83Å; P549-I615 VanDerWaalsContact CD-O 3.31Å; P549-I615 WeakPolarHBondContact CD-O 3.47Å | ||
| 550 | Q | 89.9 | Confident | 86.7 | Confident | 106 Ų | 106 | 51.2 Ų | 51.2 | 50% | 0.495 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58 | -41.1 | 178 | -74.2 | -173.5 | -16.8 | 0 | 0 | 112.5 | L524 S552 T553 Q554 | L524-Q550 HydrophobicContact CD1-CB 4.37Å; L524-Q550 HydrophobicContact CD2-CB 4.48Å; L524-Q550 HydrophobicContact CD2-CG 4.06Å; Q550-S552 VanDerWaalsContact C-N 3.31Å; Q550-S552 PolarHBondContact O-N 2.94Å; Q550-T553 WeakPolarHBondContact O-CB 3.33Å; Q550-T553 PolarHBondContact O-N 3.38Å; Q550-T553 VanDerWaalsContact O-N 3.17Å; Q550-Q554 PolarHBondContact O-N 3.5Å |
| 551 | D | 88.6 | Confident | 86.6 | Confident | 101 Ų | 101 | 48.7 Ų | 48.7 | 54% | 0.54 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62.4 | -38.7 | 178.1 | -59.8 | -28.4 | 0 | 0 | 0 | 112.1 | P549 Q554 N555 | P549-D551 VanDerWaalsContact C-N 3.3Å; P549-D551 PolarHBondContact O-N 3.29Å; D551-Q554 PolarHBondContact O-N 3Å; D551-N555 PolarHBondContact O-N 3.32Å; D551-N555 PolarHBondContact O-ND2 2.81Å |
| 552 | S | 89.3 | Confident | 86.1 | Confident | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.028 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.4 | -44 | 174.6 | -68.7 | 0 | 0 | 0 | 0 | 110.9 | P549 Q550 Q554 N555 V556 I615 | P549-S552 WeakPolarHBondContact O-CB 3.38Å; P549-S552 PolarHBondContact O-N 2.82Å; P549-S552 VanDerWaalsContact O-N 3.15Å; Q550-S552 VanDerWaalsContact C-N 3.31Å; Q550-S552 PolarHBondContact O-N 2.94Å; S552-Q554 VanDerWaalsContact C-N 3.33Å; S552-Q554 PolarHBondContact O-N 2.68Å; S552-N555 PolarHBondContact O-N 3.23Å; S552-V556 WeakPolarHBondContact O-CG2 3.49Å; S552-V556 PolarHBondContact O-N 3.33Å; S552-I615 VanDerWaalsContact CB-O 3.32Å; S552-I615 WeakPolarHBondContact CB-O 3.48Å; S552-I615 PolarHBondContact OG-O 3.38Å |
| 553 | T | 90.7 | Very high | 85.7 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.7 | -44 | 173.9 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | A527 H528 L548 P549 Q550 N555 V556 I557 | A527-T553 HydrophobicContact CB-CG2 3.74Å; H528-T553 PolarHBondContact NE2-OG1 3.11Å; L548-T553 WeakPolarHBondContact CD2-OG1 3.33Å; P549-T553 PolarHBondContact O-N 3.41Å; P549-T553 PolarHBondContact O-OG1 3.46Å; Q550-T553 WeakPolarHBondContact O-CB 3.33Å; Q550-T553 PolarHBondContact O-N 3.38Å; Q550-T553 VanDerWaalsContact O-N 3.17Å; T553-N555 VanDerWaalsContact C-N 3.31Å; T553-N555 PolarHBondContact O-N 2.85Å; T553-V556 PolarHBondContact O-N 2.93Å; T553-I557 HydrophobicContact CG2-CD1 4.03Å; T553-I557 VanDerWaalsContact O-CG1 3.32Å; T553-I557 WeakPolarHBondContact O-CG1 3.46Å; T553-I557 PolarHBondContact O-N 2.78Å |
| 554 | Q | 89.2 | Confident | 85.6 | Confident | 92 Ų | 92 | 49.9 Ų | 49.9 | 43% | 0.43 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.3 | -37.6 | 177.7 | -167.7 | 176.2 | 9.7 | 0 | 0 | 112 | L524 Q550 D551 S552 I557 S558 | L524-Q554 HydrophobicContact CD1-CB 4.15Å; Q550-Q554 PolarHBondContact O-N 3.5Å; D551-Q554 PolarHBondContact O-N 3Å; S552-Q554 VanDerWaalsContact C-N 3.33Å; S552-Q554 PolarHBondContact O-N 2.68Å; Q554-I557 PolarHBondContact O-N 3.3Å; Q554-S558 WeakPolarHBondContact O-CB 3.3Å; Q554-S558 PolarHBondContact O-N 2.86Å; Q554-S558 PolarHBondContact O-OG 2.92Å |
| 555 | N | 86.8 | Confident | 85.9 | Confident | 31 Ų | 31 | 42.3 Ų | 42.3 | 17% | 0.166 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.6 | -39.4 | 173.2 | -84.6 | -76.7 | 0 | 0 | 0 | 112.5 | D551 S552 T553 I557 S558 R559 H617 L620 | D551-N555 PolarHBondContact O-N 3.32Å; D551-N555 PolarHBondContact O-ND2 2.81Å; S552-N555 PolarHBondContact O-N 3.23Å; T553-N555 VanDerWaalsContact C-N 3.31Å; T553-N555 PolarHBondContact O-N 2.85Å; N555-I557 VanDerWaalsContact C-N 3.33Å; N555-I557 PolarHBondContact O-N 2.89Å; N555-S558 WeakPolarHBondContact CA-OG 3.45Å; N555-S558 PolarHBondContact O-N 3.43Å; N555-S558 PolarHBondContact O-OG 2.99Å; N555-R559 WeakPolarHBondContact O-CB 3.32Å; N555-R559 PolarHBondContact O-N 3.41Å; N555-R559 PolarHBondContact OD1-NE 3.46Å; N555-H617 PolarHBondContact ND2-CE1 3.27Å; N555-H617 PolarHBondContact ND2-ND1 2.93Å; N555-L620 HydrophobicContact CB-CD1 4.27Å |
| 556 | V | 90.5 | Very high | 86.3 | Confident | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.5 | -45.7 | 172.6 | 177.4 | 0 | 0 | 0 | 0 | 110.5 | S552 T553 Y560 T561 L569 K572 I576 L620 L624 | S552-V556 WeakPolarHBondContact O-CG2 3.49Å; S552-V556 PolarHBondContact O-N 3.33Å; T553-V556 PolarHBondContact O-N 2.93Å; V556-Y560 CarbonylContact O-C 3.6Å; V556-Y560 WeakPolarHBondContact O-CA 3.45Å; V556-Y560 WeakPolarHBondContact O-CB 3.38Å; V556-Y560 PolarHBondContact O-N 3.06Å; V556-Y560 VanDerWaalsContact O-N 3.09Å; V556-T561 HydrophobicContact CG1-CG2 4.48Å; V556-T561 PolarHBondContact O-N 2.92Å; V556-L569 HydrophobicContact CB-CD1 4.41Å; V556-L569 HydrophobicContact CG1-CD1 3.72Å; V556-K572 HydrophobicContact CG1-CB 3.84Å; V556-K572 HydrophobicContact CG1-CG 4.48Å; V556-I576 HydrophobicContact CG2-CD1 4.24Å; V556-L620 HydrophobicContact CG2-CD1 4.16Å; V556-L620 HydrophobicContact CG2-CD2 3.61Å; V556-L624 HydrophobicContact CG2-CD1 4.12Å |
| 557 | I | 88.7 | Confident | 86.6 | Confident | 8 Ų | 8 | 47.5 Ų | 47.5 | 4% | 0.041 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.4 | -48.1 | 179.4 | -67.8 | 165.1 | 0 | 0 | 0 | 111 | Q520 K523 L524 T553 Q554 N555 T561 L569 | Q520-I557 HydrophobicContact CB-CG2 4.43Å; Q520-I557 HydrophobicContact CG-CG2 4.1Å; K523-I557 HydrophobicContact CB-CD1 3.84Å; K523-I557 HydrophobicContact CB-CG1 4.44Å; K523-I557 HydrophobicContact CD-CG2 4.21Å; L524-I557 HydrophobicContact CB-CD1 4.16Å; T553-I557 HydrophobicContact CG2-CD1 4.03Å; T553-I557 VanDerWaalsContact O-CG1 3.32Å; T553-I557 WeakPolarHBondContact O-CG1 3.46Å; T553-I557 PolarHBondContact O-N 2.78Å; Q554-I557 PolarHBondContact O-N 3.3Å; N555-I557 VanDerWaalsContact C-N 3.33Å; N555-I557 PolarHBondContact O-N 2.89Å; I557-T561 PolarHBondContact O-OG1 3.37Å; I557-L569 HydrophobicContact CD1-CD2 4.18Å; I557-L569 HydrophobicContact CG1-CD1 3.71Å; I557-L569 HydrophobicContact CG1-CD2 3.84Å; I557-L569 HydrophobicContact CG1-CG 4.42Å |
| 558 | S | 82.6 | Confident | 86.8 | Confident | 31 Ų | 31 | 45.4 Ų | 45.4 | 22% | 0.217 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -78 | -41.3 | -174 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | Q554 N555 | Q554-S558 WeakPolarHBondContact O-CB 3.3Å; Q554-S558 PolarHBondContact O-N 2.86Å; Q554-S558 PolarHBondContact O-OG 2.92Å; N555-S558 WeakPolarHBondContact CA-OG 3.45Å; N555-S558 PolarHBondContact O-N 3.43Å; N555-S558 PolarHBondContact O-OG 2.99Å |
| 559 | R | 83.7 | Confident | 87 | Confident | 122 Ų | 122 | 44.8 Ų | 44.8 | 46% | 0.46 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -103.4 | -18.9 | -169.6 | -62.8 | -173.3 | -178.5 | -168.8 | -0.6 | 115.1 | N555 P627 L628 F629 | N555-R559 WeakPolarHBondContact O-CB 3.32Å; N555-R559 PolarHBondContact O-N 3.41Å; N555-R559 PolarHBondContact OD1-NE 3.46Å; R559-P627 HydrophobicContact CB-CB 4.2Å; R559-L628 PolarHBondContact O-N 3.28Å; R559-F629 WeakPolarHBondContact O-CD2 3.39Å; R559-F629 PolarHBondContact O-N 2.9Å |
| 560 | Y | 86.1 | Confident | 87.2 | Confident | 10 Ų | 10 | 46.1 Ų | 46.1 | 4% | 0.039 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -120.2 | -4.6 | -174.1 | -64.4 | -88.6 | 0 | 0 | 0 | 113.9 | V556 L624 G625 P626 L628 | V556-Y560 CarbonylContact O-C 3.6Å; V556-Y560 WeakPolarHBondContact O-CA 3.45Å; V556-Y560 WeakPolarHBondContact O-CB 3.38Å; V556-Y560 PolarHBondContact O-N 3.06Å; V556-Y560 VanDerWaalsContact O-N 3.09Å; Y560-L624 HydrophobicContact CD1-CB 3.94Å; Y560-L624 HydrophobicContact CD1-CD1 4.16Å; Y560-L624 HydrophobicContact CD2-CD1 4.34Å; Y560-L624 HydrophobicContact CE1-CB 3.64Å; Y560-L624 HydrophobicContact CE1-CD1 4.4Å; Y560-L624 HydrophobicContact CG-CD1 4.11Å; Y560-G625 WeakPolarHBondContact CE1-O 3.32Å; Y560-G625 PolarHBondContact OH-O 3.09Å; Y560-P626 WeakPolarHBondContact CE1-O 3.35Å; Y560-L628 HydrophobicContact CD1-CG 4.44Å |
| 561 | T | 85.3 | Confident | 87.3 | Confident | 10 Ų | 10 | 48.7 Ų | 48.7 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | trans | -132.1 | 142.6 | 177.8 | 76.9 | 0 | 0 | 0 | 0 | 112.5 | V556 I557 L569 K572 | V556-T561 HydrophobicContact CG1-CG2 4.48Å; V556-T561 PolarHBondContact O-N 2.92Å; I557-T561 PolarHBondContact O-OG1 3.37Å; T561-L569 HydrophobicContact CG2-CB 4.25Å; T561-L569 HydrophobicContact CG2-CD1 4.41Å; T561-K572 HydrophobicContact CG2-CG 4.33Å | ||
| 562 | R | 78.2 | Confident | 87.6 | Confident | 148 Ų | 148 | 46.1 Ų | 46.1 | 56% | 0.558 | 20% | 0.203 | S | C | * | . | trans | -140.5 | 85.6 | 172.4 | -172 | 172 | 176.2 | 158.8 | -2.3 | 109.3 | F629 E654 | R562-F629 HydrophobicContact CB-CD1 4.31Å; R562-F629 HydrophobicContact CB-CD2 4.24Å; R562-F629 HydrophobicContact CB-CE1 3.84Å; R562-F629 HydrophobicContact CB-CE2 3.78Å; R562-F629 HydrophobicContact CB-CG 4.49Å; R562-F629 HydrophobicContact CB-CZ 3.55Å; R562-E654 IonicContact CZ-OE1 2.78Å; R562-E654 IonicContact NE-OE1 3.53Å; R562-E654 IonicContact NH2-OE1 3.73Å; R562-E654 PolarHBondContact NH2-OE1 3.37Å | ||
| 563 | E | 78.4 | Confident | 87.8 | Confident | 43 Ų | 43 | 46.1 Ų | 46.1 | 20% | 0.201 | 20% | 0.202 | C | C | . | . | trans | -154.8 | 163.1 | -177.8 | 56 | 173.7 | -177.2 | 0 | 0 | 111.3 | K523 G565 V566 R567 S568 L569 R778 | K523-E563 PolarHBondContact NZ-O 2.93Å; E563-G565 WeakPolarHBondContact CG-O 3.48Å; E563-V566 WeakPolarHBondContact OE1-CA 3.25Å; E563-R567 PolarHBondContact OE1-N 2.65Å; E563-R567 PolarHBondContact OE2-N 3.26Å; E563-S568 WeakPolarHBondContact OE1-CA 3.24Å; E563-S568 VanDerWaalsContact OE1-CB 3.25Å; E563-S568 WeakPolarHBondContact OE1-CB 3.07Å; E563-S568 PolarHBondContact OE1-N 3.27Å; E563-S568 WeakPolarHBondContact OE2-CB 3.46Å; E563-S568 PolarHBondContact OE2-N 3.06Å; E563-L569 PolarHBondContact OE1-N 3.5Å; E563-L569 VanDerWaalsContact OE1-N 3.11Å; E563-R778 PolarHBondContact O-NH1 3.24Å | ||
| 564 | A | 78 | Confident | 87.9 | Confident | 9 Ų | 9 | 46 Ų | 46 | 7% | 0.074 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -81.1 | -35.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P381 G517 Y518 K523 L651 | P381-A564 HydrophobicContact CB-CB 3.97Å; P381-A564 HydrophobicContact CG-CB 3.68Å; G517-A564 WeakPolarHBondContact CA-O 3.27Å; Y518-A564 PolarHBondContact N-O 2.98Å; K523-A564 WeakPolarHBondContact CE-O 3.41Å; A564-L651 WeakPolarHBondContact CB-O 3.2Å |
| 565 | G | 86.7 | Confident | 88.1 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -88.5 | -157.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114 | G383 K523 E563 | G383-G565 WeakPolarHBondContact O-CA 3.3Å; K523-G565 WeakPolarHBondContact CE-O 3.41Å; K523-G565 PolarHBondContact NZ-O 2.94Å; E563-G565 WeakPolarHBondContact CG-O 3.48Å |
| 566 | V | 91.6 | Very high | 88.3 | Confident | 14 Ų | 14 | 41.4 Ų | 41.4 | 9% | 0.085 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -121.7 | 16.1 | -179.8 | -64.8 | 0 | 0 | 0 | 0 | 114.2 | G383 Y518 K523 I526 L531 E563 L569 E570 | G383-V566 WeakPolarHBondContact O-CG2 3.47Å; G383-V566 PolarHBondContact O-N 2.88Å; Y518-V566 HydrophobicContact CD2-CG1 3.99Å; Y518-V566 HydrophobicContact CE2-CG1 4.33Å; K523-V566 HydrophobicContact CB-CG1 4.36Å; K523-V566 HydrophobicContact CD-CG1 4.31Å; K523-V566 HydrophobicContact CG-CG1 3.83Å; I526-V566 HydrophobicContact CG2-CG1 4.24Å; I526-V566 HydrophobicContact CG2-CG2 4.33Å; L531-V566 HydrophobicContact CD1-CB 3.9Å; L531-V566 HydrophobicContact CD1-CG1 4.44Å; L531-V566 HydrophobicContact CD1-CG2 4.15Å; L531-V566 HydrophobicContact CD2-CG2 4.32Å; E563-V566 WeakPolarHBondContact OE1-CA 3.25Å; V566-L569 HydrophobicContact CB-CB 4.32Å; V566-L569 HydrophobicContact CB-CD2 4.37Å; V566-L569 HydrophobicContact CG1-CD2 4.15Å; V566-L569 PolarHBondContact O-N 3.11Å; V566-E570 WeakPolarHBondContact O-CB 3.48Å; V566-E570 PolarHBondContact O-N 3.14Å |
| 567 | R | 90.6 | Very high | 88.3 | Confident | 135 Ų | 135 | 41.4 Ų | 41.4 | 51% | 0.509 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -70 | -43.3 | -174.7 | -173.1 | 178.9 | -173.8 | 178.4 | 2.9 | 112.7 | E563 R571 | E563-R567 PolarHBondContact OE1-N 2.65Å; E563-R567 PolarHBondContact OE2-N 3.26Å; R567-R571 WeakPolarHBondContact O-CG 3.19Å; R567-R571 PolarHBondContact O-N 2.92Å |
| 568 | S | 90.3 | Very high | 88.5 | Confident | 37 Ų | 37 | 47.1 Ų | 47.1 | 26% | 0.259 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.9 | -40 | 173 | -165.2 | 0 | 0 | 0 | 0 | 110.7 | E563 E570 R571 K572 | E563-S568 WeakPolarHBondContact OE1-CA 3.24Å; E563-S568 VanDerWaalsContact OE1-CB 3.25Å; E563-S568 WeakPolarHBondContact OE1-CB 3.07Å; E563-S568 PolarHBondContact OE1-N 3.27Å; E563-S568 WeakPolarHBondContact OE2-CB 3.46Å; E563-S568 PolarHBondContact OE2-N 3.06Å; S568-E570 PolarHBondContact O-N 3.42Å; S568-R571 WeakPolarHBondContact O-CB 3.33Å; S568-R571 PolarHBondContact O-N 3.31Å; S568-K572 WeakPolarHBondContact O-CG 3.49Å; S568-K572 PolarHBondContact O-N 2.89Å |
| 569 | L | 92.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.1 | -49.6 | 175.4 | -178.7 | 59.2 | 0 | 0 | 0 | 111.7 | K523 A527 L531 V556 I557 T561 E563 V566 R571 K572 I573 | K523-L569 HydrophobicContact CB-CD2 4.24Å; A527-L569 HydrophobicContact CB-CD2 4.17Å; L531-L569 HydrophobicContact CD1-CD2 4.01Å; L531-L569 HydrophobicContact CD1-CG 4.14Å; V556-L569 HydrophobicContact CB-CD1 4.41Å; V556-L569 HydrophobicContact CG1-CD1 3.72Å; I557-L569 HydrophobicContact CD1-CD2 4.18Å; I557-L569 HydrophobicContact CG1-CD1 3.71Å; I557-L569 HydrophobicContact CG1-CD2 3.84Å; I557-L569 HydrophobicContact CG1-CG 4.42Å; T561-L569 HydrophobicContact CG2-CB 4.25Å; T561-L569 HydrophobicContact CG2-CD1 4.41Å; E563-L569 PolarHBondContact OE1-N 3.5Å; E563-L569 VanDerWaalsContact OE1-N 3.11Å; V566-L569 HydrophobicContact CB-CB 4.32Å; V566-L569 HydrophobicContact CB-CD2 4.37Å; V566-L569 HydrophobicContact CG1-CD2 4.15Å; V566-L569 PolarHBondContact O-N 3.11Å; L569-R571 VanDerWaalsContact C-N 3.32Å; L569-R571 PolarHBondContact O-N 2.86Å; L569-K572 PolarHBondContact O-N 3.3Å; L569-I573 HydrophobicContact CD1-CD1 4.09Å; L569-I573 HydrophobicContact CD1-CG1 4.39Å; L569-I573 HydrophobicContact CG-CD1 3.95Å; L569-I573 WeakPolarHBondContact O-CG1 3.33Å; L569-I573 PolarHBondContact O-N 2.84Å |
| 570 | E | 93.4 | Very high | 89 | Confident | 65 Ų | 65 | 41.3 Ų | 41.3 | 30% | 0.304 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.6 | -43.4 | 175.6 | -176.2 | -179.7 | -158.7 | 0 | 0 | 112 | L531 Q535 V566 S568 K572 I573 G574 | L531-E570 HydrophobicContact CD2-CB 4.34Å; L531-E570 HydrophobicContact CD2-CG 4.43Å; Q535-E570 HydrophobicContact CG-CG 4.34Å; Q535-E570 PolarHBondContact NE2-OE1 3.03Å; V566-E570 WeakPolarHBondContact O-CB 3.48Å; V566-E570 PolarHBondContact O-N 3.14Å; S568-E570 PolarHBondContact O-N 3.42Å; E570-K572 VanDerWaalsContact C-N 3.34Å; E570-K572 PolarHBondContact O-N 3.11Å; E570-I573 PolarHBondContact O-N 2.82Å; E570-G574 PolarHBondContact O-N 2.64Å |
| 571 | R | 92.8 | Very high | 89 | Confident | 160 Ų | 160 | 42.2 Ų | 42.2 | 60% | 0.604 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -61.5 | -39.8 | 176.8 | -75.1 | 173.7 | 172.6 | -172.9 | -3.7 | 112.9 | R567 S568 L569 A575 | R567-R571 WeakPolarHBondContact O-CG 3.19Å; R567-R571 PolarHBondContact O-N 2.92Å; S568-R571 WeakPolarHBondContact O-CB 3.33Å; S568-R571 PolarHBondContact O-N 3.31Å; L569-R571 VanDerWaalsContact C-N 3.32Å; L569-R571 PolarHBondContact O-N 2.86Å; R571-A575 PolarHBondContact O-N 3.46Å |
| 572 | K | 93.8 | Very high | 89.1 | Confident | 47 Ų | 47 | 45.5 Ų | 45.5 | 20% | 0.204 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.2 | -43.4 | 178.2 | -66.4 | -65.7 | -178.4 | 177.5 | 0 | 111.1 | V556 T561 S568 L569 E570 G574 A575 I576 L624 | V556-K572 HydrophobicContact CG1-CB 3.84Å; V556-K572 HydrophobicContact CG1-CG 4.48Å; T561-K572 HydrophobicContact CG2-CG 4.33Å; S568-K572 WeakPolarHBondContact O-CG 3.49Å; S568-K572 PolarHBondContact O-N 2.89Å; L569-K572 PolarHBondContact O-N 3.3Å; E570-K572 VanDerWaalsContact C-N 3.34Å; E570-K572 PolarHBondContact O-N 3.11Å; K572-G574 VanDerWaalsContact C-N 3.31Å; K572-G574 PolarHBondContact O-N 3.11Å; K572-A575 WeakPolarHBondContact O-CB 3.46Å; K572-A575 PolarHBondContact O-N 2.83Å; K572-A575 VanDerWaalsContact O-N 3.1Å; K572-I576 WeakPolarHBondContact O-CG1 3.48Å; K572-I576 PolarHBondContact O-N 2.87Å; K572-L624 HydrophobicContact CB-CD1 4.5Å; K572-L624 HydrophobicContact CD-CD1 4.5Å; K572-L624 HydrophobicContact CD-CD2 4.07Å |
| 573 | I | 93.5 | Very high | 89.4 | Confident | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.5 | -43.7 | 172.9 | -65.9 | 167.5 | 0 | 0 | 0 | 110.6 | A527 L531 I532 Q535 L569 E570 A575 I576 C577 | A527-I573 HydrophobicContact CB-CD1 4.14Å; L531-I573 HydrophobicContact CB-CD1 4.04Å; L531-I573 HydrophobicContact CD1-CD1 4.28Å; I532-I573 HydrophobicContact CG1-CD1 4.18Å; I532-I573 HydrophobicContact CG1-CG2 4.06Å; Q535-I573 HydrophobicContact CB-CG2 4.04Å; Q535-I573 HydrophobicContact CG-CG2 4.02Å; L569-I573 HydrophobicContact CD1-CD1 4.09Å; L569-I573 HydrophobicContact CD1-CG1 4.39Å; L569-I573 HydrophobicContact CG-CD1 3.95Å; L569-I573 WeakPolarHBondContact O-CG1 3.33Å; L569-I573 PolarHBondContact O-N 2.84Å; E570-I573 PolarHBondContact O-N 2.82Å; I573-A575 VanDerWaalsContact C-N 3.3Å; I573-A575 PolarHBondContact O-N 2.62Å; I573-I576 WeakPolarHBondContact O-CB 3.13Å; I573-I576 PolarHBondContact O-N 3.21Å; I573-I576 VanDerWaalsContact O-N 3.15Å; I573-C577 PolarHBondContact O-N 3.49Å; I573-C577 PolarHBondContact O-SG 2.9Å |
| 574 | G | 93.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -33.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E570 K572 C577 R578 | E570-G574 PolarHBondContact O-N 2.64Å; K572-G574 VanDerWaalsContact C-N 3.31Å; K572-G574 PolarHBondContact O-N 3.11Å; G574-C577 PolarHBondContact O-N 3.19Å; G574-R578 WeakPolarHBondContact O-CG 3.38Å; G574-R578 PolarHBondContact O-N 3.44Å; G574-R578 PolarHBondContact O-NH1 3.29Å |
| 575 | A | 92.4 | Very high | 89.9 | Confident | 25 Ų | 25 | 44.5 Ų | 44.5 | 21% | 0.207 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.6 | -40.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | R571 K572 I573 R578 A579 L624 | R571-A575 PolarHBondContact O-N 3.46Å; K572-A575 WeakPolarHBondContact O-CB 3.46Å; K572-A575 PolarHBondContact O-N 2.83Å; K572-A575 VanDerWaalsContact O-N 3.1Å; I573-A575 VanDerWaalsContact C-N 3.3Å; I573-A575 PolarHBondContact O-N 2.62Å; A575-R578 VanDerWaalsContact CA-NH2 3.35Å; A575-R578 PolarHBondContact O-N 3.29Å; A575-A579 PolarHBondContact O-N 2.99Å; A575-L624 HydrophobicContact CB-CD2 4Å |
| 576 | I | 91.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 172.9 | -62 | 167.4 | 0 | 0 | 0 | 110.3 | L548 V556 K572 I573 R578 A579 V580 I615 L620 I623 L624 | L548-I576 HydrophobicContact CD1-CD1 3.91Å; L548-I576 HydrophobicContact CD1-CG2 4Å; V556-I576 HydrophobicContact CG2-CD1 4.24Å; K572-I576 WeakPolarHBondContact O-CG1 3.48Å; K572-I576 PolarHBondContact O-N 2.87Å; I573-I576 WeakPolarHBondContact O-CB 3.13Å; I573-I576 PolarHBondContact O-N 3.21Å; I573-I576 VanDerWaalsContact O-N 3.15Å; I576-R578 VanDerWaalsContact C-N 3.34Å; I576-R578 PolarHBondContact O-N 3.22Å; I576-A579 PolarHBondContact O-N 2.94Å; I576-V580 HydrophobicContact CG2-CG2 4.39Å; I576-V580 VanDerWaalsContact O-CG2 3.27Å; I576-V580 WeakPolarHBondContact O-CG2 3.47Å; I576-V580 PolarHBondContact O-N 2.93Å; I576-I615 HydrophobicContact CG2-CD1 4.23Å; I576-I615 HydrophobicContact CG2-CG1 3.86Å; I576-I615 HydrophobicContact CG2-CG2 4.34Å; I576-L620 HydrophobicContact CD1-CD2 3.6Å; I576-L620 HydrophobicContact CG1-CD2 4.42Å; I576-I623 HydrophobicContact CG1-CG2 4.3Å; I576-L624 HydrophobicContact CD1-CD1 4.19Å; I576-L624 HydrophobicContact CG1-CD1 4.37Å; I576-L624 HydrophobicContact CG1-CD2 4.18Å; I576-L624 HydrophobicContact CG1-CG 4.29Å |
| 577 | C | 91.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59 | -43.7 | 177.8 | -64.1 | 0 | 0 | 0 | 0 | 111.7 | H539 L541 I573 G574 V580 A581 | H539-C577 HydrophobicContact CB-CB 4.28Å; L541-C577 HydrophobicContact CD1-CB 4.04Å; L541-C577 WeakPolarHBondContact CD1-O 3.3Å; I573-C577 PolarHBondContact O-N 3.49Å; I573-C577 PolarHBondContact O-SG 2.9Å; G574-C577 PolarHBondContact O-N 3.19Å; C577-V580 PolarHBondContact O-N 3.07Å; C577-A581 WeakPolarHBondContact O-CB 3.24Å; C577-A581 PolarHBondContact O-N 2.78Å |
| 578 | R | 91.9 | Very high | 86.6 | Confident | 129 Ų | 129 | 49 Ų | 49 | 49% | 0.487 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 175.7 | -75.4 | -172 | -62.3 | -81.1 | 1 | 112.9 | H539 G574 A575 I576 V580 A581 V582 | H539-R578 VanDerWaalsContact CD2-CG 3.45Å; H539-R578 WeakPolarHBondContact CD2-CG 3.37Å; H539-R578 WeakPolarHBondContact NE2-CG 3.35Å; G574-R578 WeakPolarHBondContact O-CG 3.38Å; G574-R578 PolarHBondContact O-N 3.44Å; G574-R578 PolarHBondContact O-NH1 3.29Å; A575-R578 VanDerWaalsContact CA-NH2 3.35Å; A575-R578 PolarHBondContact O-N 3.29Å; I576-R578 VanDerWaalsContact C-N 3.34Å; I576-R578 PolarHBondContact O-N 3.22Å; R578-V580 VanDerWaalsContact C-N 3.28Å; R578-V580 PolarHBondContact O-N 2.83Å; R578-A581 PolarHBondContact O-N 3.07Å; R578-V582 WeakPolarHBondContact O-CG2 3.37Å; R578-V582 PolarHBondContact O-N 3.01Å |
| 579 | A | 88.5 | Confident | 84.5 | Confident | 29 Ų | 29 | 57.6 Ų | 57.6 | 24% | 0.24 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | A575 I576 K583 I623 | A575-A579 PolarHBondContact O-N 2.99Å; I576-A579 PolarHBondContact O-N 2.94Å; A579-K583 PolarHBondContact O-N 2.93Å; A579-I623 HydrophobicContact CB-CB 4.44Å; A579-I623 HydrophobicContact CB-CD1 4.2Å; A579-I623 HydrophobicContact CB-CG1 4.02Å; A579-I623 HydrophobicContact CB-CG2 3.6Å |
| 580 | V | 87.8 | Confident | 82.3 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.6 | -41.4 | 176.3 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | L541 L546 I576 C577 R578 V582 K583 V584 I613 I615 | L541-V580 HydrophobicContact CD1-CB 4.38Å; L541-V580 HydrophobicContact CD1-CG1 4.3Å; L546-V580 HydrophobicContact CB-CG1 4.19Å; L546-V580 HydrophobicContact CD1-CG1 4.37Å; L546-V580 HydrophobicContact CD1-CG2 3.81Å; L546-V580 HydrophobicContact CD2-CB 4.48Å; L546-V580 HydrophobicContact CD2-CG2 4.35Å; I576-V580 HydrophobicContact CG2-CG2 4.39Å; I576-V580 VanDerWaalsContact O-CG2 3.27Å; I576-V580 WeakPolarHBondContact O-CG2 3.47Å; I576-V580 PolarHBondContact O-N 2.93Å; C577-V580 PolarHBondContact O-N 3.07Å; R578-V580 VanDerWaalsContact C-N 3.28Å; R578-V580 PolarHBondContact O-N 2.83Å; V580-V582 VanDerWaalsContact C-N 3.28Å; V580-V582 PolarHBondContact O-N 2.92Å; V580-K583 PolarHBondContact O-N 3.01Å; V580-K583 VanDerWaalsContact O-N 3.12Å; V580-V584 HydrophobicContact CG1-CG2 4.14Å; V580-V584 WeakPolarHBondContact O-CG2 3.47Å; V580-V584 PolarHBondContact O-N 2.92Å; V580-I613 HydrophobicContact CG1-CB 4.49Å; V580-I613 HydrophobicContact CG1-CD1 3.94Å; V580-I613 HydrophobicContact CG2-CG2 4.43Å; V580-I615 HydrophobicContact CG2-CD1 3.93Å |
| 581 | A | 87.6 | Confident | 79.9 | Confident | 30 Ų | 30 | 66.1 Ų | 66.1 | 25% | 0.248 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59 | -38.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L541 C577 R578 V584 A585 | L541-A581 HydrophobicContact CD1-CB 4.41Å; L541-A581 HydrophobicContact CD2-CB 4.21Å; L541-A581 HydrophobicContact CG-CB 4.44Å; C577-A581 WeakPolarHBondContact O-CB 3.24Å; C577-A581 PolarHBondContact O-N 2.78Å; R578-A581 PolarHBondContact O-N 3.07Å; A581-V584 PolarHBondContact O-N 2.84Å; A581-A585 VanDerWaalsContact O-CB 3.31Å; A581-A585 WeakPolarHBondContact O-CB 3.43Å; A581-A585 PolarHBondContact O-N 3.38Å |
| 582 | V | 87.4 | Confident | 77.4 | Confident | 79 Ų | 79 | 67 Ų | 67 | 48% | 0.479 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.9 | -50.3 | 172.6 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | R578 V580 V584 A585 E586 | R578-V582 WeakPolarHBondContact O-CG2 3.37Å; R578-V582 PolarHBondContact O-N 3.01Å; V580-V582 VanDerWaalsContact C-N 3.28Å; V580-V582 PolarHBondContact O-N 2.92Å; V582-V584 VanDerWaalsContact C-N 3.31Å; V582-V584 PolarHBondContact O-N 2.87Å; V582-A585 PolarHBondContact O-N 3.31Å; V582-E586 HydrophobicContact CG1-CG 4.43Å; V582-E586 WeakPolarHBondContact O-CB 3.34Å; V582-E586 WeakPolarHBondContact O-CG 3.43Å; V582-E586 PolarHBondContact O-N 2.87Å |
| 583 | K | 83.6 | Confident | 74.7 | Confident | 103 Ų | 103 | 68.8 Ų | 68.8 | 45% | 0.448 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.8 | -39.3 | 178.2 | -70.3 | -176 | 177 | -174.1 | 0 | 112.9 | A579 V580 G587 I613 | A579-K583 PolarHBondContact O-N 2.93Å; V580-K583 PolarHBondContact O-N 3.01Å; V580-K583 VanDerWaalsContact O-N 3.12Å; K583-G587 PolarHBondContact O-N 3.35Å; K583-I613 HydrophobicContact CB-CD1 4.37Å |
| 584 | V | 83.7 | Confident | 72.3 | Confident | 15 Ų | 15 | 74.2 Ų | 74.2 | 9% | 0.091 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69.1 | -42.4 | 178 | 171.8 | 0 | 0 | 0 | 0 | 111 | L541 V580 A581 V582 G587 H588 M611 I613 | L541-V584 HydrophobicContact CD2-CG2 4.47Å; V580-V584 HydrophobicContact CG1-CG2 4.14Å; V580-V584 WeakPolarHBondContact O-CG2 3.47Å; V580-V584 PolarHBondContact O-N 2.92Å; A581-V584 PolarHBondContact O-N 2.84Å; V582-V584 VanDerWaalsContact C-N 3.31Å; V582-V584 PolarHBondContact O-N 2.87Å; V584-G587 PolarHBondContact O-N 2.92Å; V584-H588 PolarHBondContact O-CD2 2.88Å; V584-H588 VanDerWaalsContact O-CD2 3.24Å; V584-H588 PolarHBondContact O-N 3.31Å; V584-M611 HydrophobicContact CG2-CE 4.18Å; V584-I613 HydrophobicContact CG2-CD1 4.06Å |
| 585 | A | 82.6 | Confident | 70 | Confident | 61 Ų | 61 | 80.1 Ų | 80.1 | 50% | 0.504 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.4 | -39.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A581 V582 H588 R589 | A581-A585 VanDerWaalsContact O-CB 3.31Å; A581-A585 WeakPolarHBondContact O-CB 3.43Å; A581-A585 PolarHBondContact O-N 3.38Å; V582-A585 PolarHBondContact O-N 3.31Å; A585-H588 PolarHBondContact O-N 3.33Å; A585-R589 PolarHBondContact O-N 2.95Å |
| 586 | E | 80.6 | Confident | 67.3 | Low | 124 Ų | 124 | 84.5 Ų | 84.5 | 58% | 0.579 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.2 | -41.7 | 172.8 | -71.9 | 175.2 | 167.8 | 0 | 0 | 111.6 | V582 H588 R589 | V582-E586 HydrophobicContact CG1-CG 4.43Å; V582-E586 WeakPolarHBondContact O-CB 3.34Å; V582-E586 WeakPolarHBondContact O-CG 3.43Å; V582-E586 PolarHBondContact O-N 2.87Å; E586-H588 VanDerWaalsContact C-N 3.35Å; E586-H588 PolarHBondContact O-N 2.9Å; E586-R589 PolarHBondContact O-N 3.37Å |
| 587 | G | 65.1 | Low | 65 | Low | 17 Ų | 17 | 88 Ų | 88 | 18% | 0.175 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -66.4 | -29.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K583 V584 | K583-G587 PolarHBondContact O-N 3.35Å; V584-G587 PolarHBondContact O-N 2.92Å |
| 588 | H | 54.9 | Low | 62.2 | Low | 103 Ų | 103 | 97.3 Ų | 97.3 | 48% | 0.477 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -72.8 | -31.2 | 175 | -86.3 | -64.5 | 0 | 0 | 0 | 113.3 | V584 A585 E586 V590 K591 | V584-H588 PolarHBondContact O-CD2 2.88Å; V584-H588 VanDerWaalsContact O-CD2 3.24Å; V584-H588 PolarHBondContact O-N 3.31Å; A585-H588 PolarHBondContact O-N 3.33Å; E586-H588 VanDerWaalsContact C-N 3.35Å; E586-H588 PolarHBondContact O-N 2.9Å; H588-V590 PolarHBondContact O-N 2.89Å; H588-K591 PolarHBondContact O-N 3.22Å; H588-K591 VanDerWaalsContact O-N 3.07Å |
| 589 | R | 46.8 | Very low | 59.9 | Low | 216 Ų | 216 | 100.4 Ų | 100.4 | 82% | 0.815 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.4 | -24.8 | 175.6 | -84.9 | -177.8 | 163.7 | 179.3 | -4 | 113.5 | A585 E586 | A585-R589 PolarHBondContact O-N 2.95Å; E586-R589 PolarHBondContact O-N 3.37Å |
| 590 | V | 46 | Very low | 57.3 | Low | 107 Ų | 107 | 107.6 Ų | 107.6 | 65% | 0.648 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -21.5 | 178.1 | -174.7 | 0 | 0 | 0 | 0 | 112.1 | H588 | H588-V590 PolarHBondContact O-N 2.89Š|
| 591 | K | 43.6 | Very low | 54.8 | Low | 138 Ų | 138 | 116.6 Ų | 116.6 | 60% | 0.6 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -24.2 | -175.7 | -73.7 | -175.4 | 177.1 | 178.4 | 0 | 115 | H588 | H588-K591 PolarHBondContact O-N 3.22Å; H588-K591 VanDerWaalsContact O-N 3.07Å |
| 592 | E | 39.1 | Very low | 52.5 | Low | 179 Ų | 179 | 124.5 Ų | 124.5 | 84% | 0.836 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -89.5 | -5.9 | -180 | -76.3 | -173.9 | 161.1 | 0 | 0 | 114.5 | T594 | E592-T594 PolarHBondContact O-N 3.43Š|
| 593 | A | 37.9 | Very low | 50 | Low | 83 Ų | 83 | 129.5 Ų | 129.5 | 69% | 0.686 | 68% | 0.681 | S | S | * | * | trans | -83.3 | 85.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 594 | T | 41.7 | Very low | 47.7 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 72% | 0.718 | 70% | 0.702 | S | S | * | * | trans | -98.6 | 175.3 | 164.8 | 57.9 | 0 | 0 | 0 | 0 | 110.1 | E592 | E592-T594 PolarHBondContact O-N 3.43Š| ||
| 595 | P | 46.2 | Very low | 45.5 | Very low | 126 Ų | 126 | 141.9 Ų | 141.9 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | -117.4 | 111.9 | -95.2 | 30.3 | -9.9 | 0 | 0 | 0 | 110.2 | |||||
| 596 | S | 35.7 | Very low | 43.3 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -136.6 | 120.3 | 166.2 | 49.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 597 | G | 41.6 | Very low | 41.6 | Very low | 73 Ų | 73 | 141.1 Ų | 141.1 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | trans | -59 | 141.6 | -163.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 598 | Q | 34.6 | Very low | 40.9 | Very low | 197 Ų | 197 | 143.9 Ų | 143.9 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | -167.3 | 132.2 | 112.9 | -97.3 | 162.8 | 13.5 | 0 | 0 | 108.2 | Q600 | Q598-Q600 PolarHBondContact O-N 3.2Š| |||
| 599 | E | 43.3 | Very low | 40.8 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 91% | 0.907 | 77% | 0.765 | S | S | * | * | trans | -62.5 | 120.6 | 174.9 | -65.7 | 170.5 | 150.5 | 0 | 0 | 109.5 | ||||
| 600 | Q | 34.4 | Very low | 41.3 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | -153.4 | 102.7 | 155.8 | -108.2 | 162.1 | 31.8 | 0 | 0 | 110.3 | Q598 | Q598-Q600 PolarHBondContact O-N 3.2Š| ||
| 601 | Q | 34.4 | Very low | 42.1 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | trans | 56.8 | 129.8 | 141.2 | -65.1 | 173.6 | 8 | 0 | 0 | 120.6 | ||||
| 602 | Q | 39 | Very low | 43.1 | Very low | 195 Ų | 195 | 135.4 Ų | 135.4 | 91% | 0.911 | 75% | 0.746 | S | S | * | * | trans | -68.5 | 131 | -177.3 | -75.6 | 158.6 | -32.4 | 0 | 0 | 112.6 | ||||
| 603 | E | 34.4 | Very low | 44.9 | Very low | 185 Ų | 185 | 127.9 Ų | 127.9 | 86% | 0.864 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -160.8 | 123 | 132.9 | -104 | 167.4 | -167.4 | 0 | 0 | 107.7 | ||
| 604 | D | 35.3 | Very low | 47 | Very low | 166 Ų | 166 | 127.6 Ų | 127.6 | 89% | 0.888 | 70% | 0.701 | S | S | * | * | trans | 48.6 | 64.5 | 170.6 | -62.2 | -16 | 0 | 0 | 0 | 119.9 | A606 | D604-A606 PolarHBondContact O-N 2.7Å; D604-A606 VanDerWaalsContact O-N 3.15Å | ||
| 605 | K | 37.3 | Very low | 49 | Very low | 212 Ų | 212 | 122 Ų | 122 | 92% | 0.922 | 67% | 0.667 | S | S | * | * | trans | -76.4 | 92.6 | 157.3 | -75.1 | -176.9 | 178.6 | 177.3 | 0 | 109.7 | A607 | K605-A607 PolarHBondContact O-N 2.91Š| ||
| 606 | A | 37.9 | Very low | 50.8 | Low | 88 Ų | 88 | 119.7 Ų | 119.7 | 73% | 0.727 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 121.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | D604 | D604-A606 PolarHBondContact O-N 2.7Å; D604-A606 VanDerWaalsContact O-N 3.15Å |
| 607 | A | 45.3 | Very low | 52.9 | Low | 81 Ų | 81 | 118.9 Ų | 118.9 | 67% | 0.669 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -52 | 148.1 | 170 | 0 | 0 | 0 | 0 | 0 | 109.8 | K605 | K605-A607 PolarHBondContact O-N 2.91Š|
| 608 | P | 48.7 | Very low | 54.8 | Low | 74 Ų | 74 | 119.9 Ų | 119.9 | 48% | 0.481 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 134.1 | 170.5 | 23.5 | -31.7 | 0 | 0 | 0 | 107.9 | E610 | P608-E610 PolarHBondContact O-N 2.97Š|
| 609 | P | 54.3 | Low | 57 | Low | 54 Ų | 54 | 111.2 Ų | 111.2 | 35% | 0.351 | 58% | 0.584 | S | S | . | * | P | Polyproline II helix | trans | -52.4 | 131.4 | -177.2 | 20.1 | -31.1 | 0 | 0 | 0 | 109 | M611 I613 | P609-M611 HydrophobicContact CG-SD 4.39Å; P609-M611 WeakPolarHBondContact O-CG 3.25Å; P609-M611 PolarHBondContact O-N 3.22Å; P609-I613 HydrophobicContact CB-CD1 4.26Å; P609-I613 HydrophobicContact CB-CG1 4.16Å; P609-I613 HydrophobicContact CG-CD1 4.34Å |
| 610 | E | 57.3 | Low | 59 | Low | 187 Ų | 187 | 102.1 Ų | 102.1 | 87% | 0.874 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 117.6 | 171.4 | -74.3 | -171.9 | 163.9 | 0 | 0 | 107.4 | P608 P612 | P608-E610 PolarHBondContact O-N 2.97Å; E610-P612 CarbonylContact O-C 3.41Å |
| 611 | M | 61.2 | Low | 61.5 | Low | 92 Ų | 92 | 99.5 Ų | 99.5 | 45% | 0.453 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -90.5 | 136.1 | -179.5 | -60.1 | -65.3 | -96.1 | 0 | 0 | 108 | Q545 V584 P609 I613 | Q545-M611 HydrophobicContact CB-CE 3.65Å; Q545-M611 HydrophobicContact CG-CE 3.4Å; V584-M611 HydrophobicContact CG2-CE 4.18Å; P609-M611 HydrophobicContact CG-SD 4.39Å; P609-M611 WeakPolarHBondContact O-CG 3.25Å; P609-M611 PolarHBondContact O-N 3.22Å; M611-I613 HydrophobicContact SD-CD1 4.36Å; M611-I613 HydrophobicContact SD-CG1 4.14Å |
| 612 | P | 66 | Low | 63.9 | Low | 53 Ų | 53 | 96.4 Ų | 96.4 | 34% | 0.344 | 52% | 0.517 | S | S | . | . | S | Bend | cis | -77.8 | 147.9 | 3.1 | 30.5 | -34.2 | 0 | 0 | 0 | 113.5 | Q544 L547 E610 V614 | Q544-P612 VanDerWaalsContact O-CA 3.29Å; Q544-P612 WeakPolarHBondContact O-CA 3.42Å; Q544-P612 VanDerWaalsContact O-CB 3.32Å; Q544-P612 WeakPolarHBondContact O-CB 3.42Å; L547-P612 HydrophobicContact CB-CB 4.05Å; L547-P612 HydrophobicContact CB-CG 4.24Å; E610-P612 CarbonylContact O-C 3.41Å; P612-V614 HydrophobicContact CG-CG2 4.34Å; P612-V614 PolarHBondContact O-N 2.91Å |
| 613 | I | 77.1 | Confident | 66.2 | Low | 22 Ų | 22 | 89 Ų | 89 | 11% | 0.113 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 103 | 167.7 | -63.3 | 167.1 | 0 | 0 | 0 | 107.2 | Q545 L547 V580 K583 V584 P609 M611 I615 | Q545-I613 WeakPolarHBondContact O-CB 3.4Å; Q545-I613 PolarHBondContact O-N 2.86Å; L547-I613 PolarHBondContact N-O 2.73Å; L547-I613 VanDerWaalsContact N-O 3.11Å; V580-I613 HydrophobicContact CG1-CB 4.49Å; V580-I613 HydrophobicContact CG1-CD1 3.94Å; V580-I613 HydrophobicContact CG2-CG2 4.43Å; K583-I613 HydrophobicContact CB-CD1 4.37Å; V584-I613 HydrophobicContact CG2-CD1 4.06Å; P609-I613 HydrophobicContact CB-CD1 4.26Å; P609-I613 HydrophobicContact CB-CG1 4.16Å; P609-I613 HydrophobicContact CG-CD1 4.34Å; M611-I613 HydrophobicContact SD-CD1 4.36Å; M611-I613 HydrophobicContact SD-CG1 4.14Å; I613-I615 HydrophobicContact CG2-CD1 3.94Å |
| 614 | V | 81.5 | Confident | 68.8 | Low | 76 Ų | 76 | 81.5 Ų | 81.5 | 46% | 0.461 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 123.1 | 175.6 | -176.3 | 0 | 0 | 0 | 0 | 108.6 | L547 P549 P612 D616 | L547-V614 HydrophobicContact CB-CG2 4.46Å; L547-V614 HydrophobicContact CD2-CG1 4.22Å; L547-V614 HydrophobicContact CD2-CG2 4.34Å; L547-V614 WeakPolarHBondContact O-CA 3.18Å; P549-V614 HydrophobicContact CG-CG1 3.83Å; P612-V614 HydrophobicContact CG-CG2 4.34Å; P612-V614 PolarHBondContact O-N 2.91Å; V614-D616 PolarHBondContact O-N 3.48Å |
| 615 | I | 84 | Confident | 71.3 | Confident | 1 Ų | 1 | 74.7 Ų | 74.7 | 1% | 0.005 | 42% | 0.418 | C | S | . | . | trans | -90 | 98.3 | 177.8 | -58.8 | -61.4 | 0 | 0 | 0 | 109.1 | L546 L547 L548 P549 S552 I576 V580 I613 A619 L620 I623 | L546-I615 HydrophobicContact CD1-CD1 4.2Å; L546-I615 HydrophobicContact CD1-CG1 3.47Å; L546-I615 VanDerWaalsContact CD1-CG1 3.47Å; L547-I615 PolarHBondContact O-N 2.86Å; L548-I615 HydrophobicContact CG-CB 4.38Å; P549-I615 VanDerWaalsContact CD-O 3.31Å; P549-I615 WeakPolarHBondContact CD-O 3.47Å; S552-I615 VanDerWaalsContact CB-O 3.32Å; S552-I615 WeakPolarHBondContact CB-O 3.48Å; S552-I615 PolarHBondContact OG-O 3.38Å; I576-I615 HydrophobicContact CG2-CD1 4.23Å; I576-I615 HydrophobicContact CG2-CG1 3.86Å; I576-I615 HydrophobicContact CG2-CG2 4.34Å; V580-I615 HydrophobicContact CG2-CD1 3.93Å; I613-I615 HydrophobicContact CG2-CD1 3.94Å; I615-A619 HydrophobicContact CD1-CB 4.27Å; I615-A619 HydrophobicContact CG2-CB 4.34Å; I615-L620 HydrophobicContact CG2-CD2 3.64Å; I615-L620 HydrophobicContact CG2-CG 3.75Å; I615-I623 HydrophobicContact CD1-CD1 3.81Å | ||
| 616 | D | 82.8 | Confident | 73.6 | Confident | 77 Ų | 77 | 68.9 Ų | 68.9 | 41% | 0.412 | 40% | 0.402 | S | S | . | . | trans | -88.5 | -179.7 | 173.8 | 70.1 | -16.8 | 0 | 0 | 0 | 111.9 | V614 V618 A619 L620 | V614-D616 PolarHBondContact O-N 3.48Å; D616-V618 PolarHBondContact O-N 3.3Å; D616-A619 PolarHBondContact O-N 3.48Å; D616-A619 WeakPolarHBondContact OD1-CB 3.42Å; D616-A619 PolarHBondContact OD1-N 2.96Å; D616-L620 WeakPolarHBondContact O-CG 3.3Å; D616-L620 PolarHBondContact O-N 2.77Å | ||
| 617 | H | 80 | Confident | 75.6 | Confident | 100 Ų | 100 | 67 Ų | 67 | 46% | 0.463 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.4 | -30.4 | -179.2 | -60.1 | -45.8 | 0 | 0 | 0 | 113.4 | N555 K621 | N555-H617 PolarHBondContact ND2-CE1 3.27Å; N555-H617 PolarHBondContact ND2-ND1 2.93Å; H617-K621 PolarHBondContact O-N 3.19Å |
| 618 | V | 81.5 | Confident | 77.1 | Confident | 93 Ų | 93 | 68 Ų | 68 | 56% | 0.564 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -72.9 | -50.6 | 178.6 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | D616 L620 K621 D622 | D616-V618 PolarHBondContact O-N 3.3Å; V618-L620 PolarHBondContact O-N 2.9Å; V618-K621 WeakPolarHBondContact O-CB 3.32Å; V618-K621 PolarHBondContact O-N 3.09Å; V618-D622 PolarHBondContact O-N 3.46Å; V618-D622 VanDerWaalsContact O-N 3.09Å |
| 619 | A | 81.2 | Confident | 78.3 | Confident | 16 Ų | 16 | 67.7 Ų | 67.7 | 13% | 0.132 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.6 | -34.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I615 D616 K621 D622 I623 | I615-A619 HydrophobicContact CD1-CB 4.27Å; I615-A619 HydrophobicContact CG2-CB 4.34Å; D616-A619 PolarHBondContact O-N 3.48Å; D616-A619 WeakPolarHBondContact OD1-CB 3.42Å; D616-A619 PolarHBondContact OD1-N 2.96Å; A619-K621 VanDerWaalsContact C-N 3.33Å; A619-K621 PolarHBondContact O-N 3.33Å; A619-D622 PolarHBondContact O-N 3.39Å; A619-I623 WeakPolarHBondContact O-CB 3.46Å; A619-I623 WeakPolarHBondContact O-CD1 3.48Å; A619-I623 VanDerWaalsContact O-CG1 3.22Å; A619-I623 WeakPolarHBondContact O-CG1 3.2Å; A619-I623 PolarHBondContact O-N 3.49Å |
| 620 | L | 85.4 | Confident | 78.7 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 173.3 | -80.5 | 176.7 | 0 | 0 | 0 | 112.2 | N555 V556 I576 I615 D616 V618 I623 L624 | N555-L620 HydrophobicContact CB-CD1 4.27Å; V556-L620 HydrophobicContact CG2-CD1 4.16Å; V556-L620 HydrophobicContact CG2-CD2 3.61Å; I576-L620 HydrophobicContact CD1-CD2 3.6Å; I576-L620 HydrophobicContact CG1-CD2 4.42Å; I615-L620 HydrophobicContact CG2-CD2 3.64Å; I615-L620 HydrophobicContact CG2-CG 3.75Å; D616-L620 WeakPolarHBondContact O-CG 3.3Å; D616-L620 PolarHBondContact O-N 2.77Å; V618-L620 PolarHBondContact O-N 2.9Å; L620-I623 PolarHBondContact O-N 3.32Å; L620-L624 HydrophobicContact CD2-CD1 4.13Å; L620-L624 WeakPolarHBondContact O-CB 3.45Å; L620-L624 PolarHBondContact O-N 3.4Å |
| 621 | K | 86.3 | Confident | 78.7 | Confident | 125 Ų | 125 | 68.6 Ų | 68.6 | 54% | 0.543 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68.8 | -37.1 | 179.8 | -169.3 | 180 | 177.3 | -176.1 | 0 | 111.7 | H617 V618 A619 I623 G625 | H617-K621 PolarHBondContact O-N 3.19Å; V618-K621 WeakPolarHBondContact O-CB 3.32Å; V618-K621 PolarHBondContact O-N 3.09Å; A619-K621 VanDerWaalsContact C-N 3.33Å; A619-K621 PolarHBondContact O-N 3.33Å; K621-I623 VanDerWaalsContact C-N 3.34Å; K621-G625 CarbonylContact O-C 3.58Å; K621-G625 WeakPolarHBondContact O-CA 3.38Å; K621-G625 PolarHBondContact O-N 3.13Å |
| 622 | D | 85.8 | Confident | 78.4 | Confident | 125 Ų | 125 | 68.6 Ų | 68.6 | 67% | 0.668 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.5 | -37.5 | 177 | -65.8 | -18.2 | 0 | 0 | 0 | 112.1 | V618 A619 | V618-D622 PolarHBondContact O-N 3.46Å; V618-D622 VanDerWaalsContact O-N 3.09Å; A619-D622 PolarHBondContact O-N 3.39Å |
| 623 | I | 87.3 | Confident | 78 | Confident | 41 Ų | 41 | 66.9 Ų | 66.9 | 21% | 0.21 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -85.4 | -47.6 | -176.5 | -64.2 | 166.8 | 0 | 0 | 0 | 112.3 | I576 A579 I615 A619 L620 K621 | I576-I623 HydrophobicContact CG1-CG2 4.3Å; A579-I623 HydrophobicContact CB-CB 4.44Å; A579-I623 HydrophobicContact CB-CD1 4.2Å; A579-I623 HydrophobicContact CB-CG1 4.02Å; A579-I623 HydrophobicContact CB-CG2 3.6Å; I615-I623 HydrophobicContact CD1-CD1 3.81Å; A619-I623 WeakPolarHBondContact O-CB 3.46Å; A619-I623 WeakPolarHBondContact O-CD1 3.48Å; A619-I623 VanDerWaalsContact O-CG1 3.22Å; A619-I623 WeakPolarHBondContact O-CG1 3.2Å; A619-I623 PolarHBondContact O-N 3.49Å; L620-I623 PolarHBondContact O-N 3.32Å; K621-I623 VanDerWaalsContact C-N 3.34Å |
| 624 | L | 88.6 | Confident | 77 | Confident | 26 Ų | 26 | 69.7 Ų | 69.7 | 14% | 0.136 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -94.9 | -9.7 | -173.8 | -62.3 | -177.8 | 0 | 0 | 0 | 113.4 | V556 Y560 K572 A575 I576 L620 | V556-L624 HydrophobicContact CG2-CD1 4.12Å; Y560-L624 HydrophobicContact CD1-CB 3.94Å; Y560-L624 HydrophobicContact CD1-CD1 4.16Å; Y560-L624 HydrophobicContact CD2-CD1 4.34Å; Y560-L624 HydrophobicContact CE1-CB 3.64Å; Y560-L624 HydrophobicContact CE1-CD1 4.4Å; Y560-L624 HydrophobicContact CG-CD1 4.11Å; K572-L624 HydrophobicContact CB-CD1 4.5Å; K572-L624 HydrophobicContact CD-CD1 4.5Å; K572-L624 HydrophobicContact CD-CD2 4.07Å; A575-L624 HydrophobicContact CB-CD2 4Å; I576-L624 HydrophobicContact CD1-CD1 4.19Å; I576-L624 HydrophobicContact CG1-CD1 4.37Å; I576-L624 HydrophobicContact CG1-CD2 4.18Å; I576-L624 HydrophobicContact CG1-CG 4.29Å; L620-L624 HydrophobicContact CD2-CD1 4.13Å; L620-L624 WeakPolarHBondContact O-CB 3.45Å; L620-L624 PolarHBondContact O-N 3.4Å |
| 625 | G | 87.5 | Confident | 75.8 | Confident | 23 Ų | 23 | 73.8 Ų | 73.8 | 24% | 0.237 | 40% | 0.395 | C | S | . | . | trans | 82.9 | -170 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y560 K621 | Y560-G625 WeakPolarHBondContact CE1-O 3.32Å; Y560-G625 PolarHBondContact OH-O 3.09Å; K621-G625 CarbonylContact O-C 3.58Å; K621-G625 WeakPolarHBondContact O-CA 3.38Å; K621-G625 PolarHBondContact O-N 3.13Å | ||
| 626 | P | 85.3 | Confident | 74.6 | Confident | 91 Ų | 91 | 77.8 Ų | 77.8 | 59% | 0.591 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -60.6 | 152.2 | 177.1 | 26.7 | -34.3 | 0 | 0 | 0 | 111.8 | Y560 L628 | Y560-P626 WeakPolarHBondContact CE1-O 3.35Å; P626-L628 PolarHBondContact O-N 3.1Å |
| 627 | P | 80.9 | Confident | 73.7 | Confident | 47 Ų | 47 | 74.5 Ų | 74.5 | 31% | 0.305 | 39% | 0.393 | S | S | . | . | trans | -47.9 | 136 | 171.7 | -29.3 | 37.1 | 0 | 0 | 0 | 111.9 | R559 | R559-P627 HydrophobicContact CB-CB 4.2Š| ||
| 628 | L | 77.8 | Confident | 73.2 | Confident | 102 Ų | 102 | 74 Ų | 74 | 53% | 0.534 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -91.3 | -24.1 | -179.6 | -67.6 | 173.3 | 0 | 0 | 0 | 112.4 | R559 Y560 P626 | R559-L628 PolarHBondContact O-N 3.28Å; Y560-L628 HydrophobicContact CD1-CG 4.44Å; P626-L628 PolarHBondContact O-N 3.1Å |
| 629 | F | 72.6 | Confident | 73.1 | Confident | 68 Ų | 68 | 75 Ų | 75 | 30% | 0.298 | 40% | 0.398 | S | S | . | . | trans | -131.9 | 127.9 | -177 | -52.7 | -69.1 | 0 | 0 | 0 | 109.6 | R559 R562 | R559-F629 WeakPolarHBondContact O-CD2 3.39Å; R559-F629 PolarHBondContact O-N 2.9Å; R562-F629 HydrophobicContact CB-CD1 4.31Å; R562-F629 HydrophobicContact CB-CD2 4.24Å; R562-F629 HydrophobicContact CB-CE1 3.84Å; R562-F629 HydrophobicContact CB-CE2 3.78Å; R562-F629 HydrophobicContact CB-CG 4.49Å; R562-F629 HydrophobicContact CB-CZ 3.55Å | ||
| 630 | D | 63.3 | Low | 73.4 | Confident | 123 Ų | 123 | 76.8 Ų | 76.8 | 66% | 0.658 | 41% | 0.409 | S | S | * | . | trans | -99 | 151.8 | 169.4 | -76.7 | -40.4 | 0 | 0 | 0 | 110.7 | E632 | D630-E632 HydrophobicContact CB-CG 4.1Å; D630-E632 PolarHBondContact O-N 3.49Å | ||
| 631 | M | 57.9 | Low | 73.5 | Confident | 137 Ų | 137 | 76.7 Ų | 76.7 | 68% | 0.675 | 41% | 0.408 | S | S | * | . | trans | -78 | 75.4 | 170.6 | -76.6 | -171.1 | 173.9 | 0 | 0 | 109.4 | V633 | M631-V633 PolarHBondContact O-N 2.93Å; M631-V633 VanDerWaalsContact O-N 3.15Å | ||
| 632 | E | 53.6 | Low | 73.7 | Confident | 92 Ų | 92 | 71.4 Ų | 71.4 | 43% | 0.43 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 3.3 | -171.9 | -64.6 | -174.7 | 147.1 | 0 | 0 | 115.7 | D630 S634 R636 | D630-E632 HydrophobicContact CB-CG 4.1Å; D630-E632 PolarHBondContact O-N 3.49Å; E632-S634 PolarHBondContact O-N 3.34Å; E632-R636 VanDerWaalsContact CD-NH2 3.31Å; E632-R636 IonicContact OE1-NH2 3.35Å; E632-R636 PolarHBondContact OE1-NH2 3.24Å; E632-R636 IonicContact OE2-CZ 3.63Å; E632-R636 IonicContact OE2-NH2 3.84Å; E632-R636 PolarHBondContact OE2-NH2 3.43Å |
| 633 | V | 56.9 | Low | 74 | Confident | 18 Ų | 18 | 65.4 Ų | 65.4 | 11% | 0.109 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.6 | -34.3 | -165.9 | -176 | 0 | 0 | 0 | 0 | 113.2 | M631 L637 L644 I655 A779 | M631-V633 PolarHBondContact O-N 2.93Å; M631-V633 VanDerWaalsContact O-N 3.15Å; V633-L637 HydrophobicContact CG1-CD1 4.29Å; V633-L637 WeakPolarHBondContact O-CD1 3.13Å; V633-L644 HydrophobicContact CG1-CD2 4.1Å; V633-I655 HydrophobicContact CG2-CD1 3.88Å; V633-A779 HydrophobicContact CG2-CB 4.1Å; V633-A779 WeakPolarHBondContact CG2-O 3.22Å |
| 634 | S | 56.3 | Low | 74.1 | Confident | 80 Ų | 80 | 63.5 Ų | 63.5 | 56% | 0.559 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -82.7 | -28.6 | -173 | 52 | 0 | 0 | 0 | 0 | 114.9 | E632 | E632-S634 PolarHBondContact O-N 3.34Å |
| 635 | E | 56.6 | Low | 74.2 | Confident | 162 Ų | 162 | 62.4 Ų | 62.4 | 76% | 0.757 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -78.9 | -29.8 | -173.7 | -73.1 | -173 | 170.1 | 0 | 0 | 113.5 | T638 | E635-T638 PolarHBondContact O-OG1 3.22Å; E635-T638 VanDerWaalsContact O-OG1 3.11Å |
| 636 | R | 59.9 | Low | 74.3 | Confident | 85 Ų | 85 | 61.6 Ų | 61.6 | 32% | 0.321 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -82.8 | -19.6 | -176.5 | -63.1 | -168.4 | -173.4 | 168.2 | 11.8 | 114.4 | E632 T638 F657 | E632-R636 VanDerWaalsContact CD-NH2 3.31Å; E632-R636 IonicContact OE1-NH2 3.35Å; E632-R636 PolarHBondContact OE1-NH2 3.24Å; E632-R636 IonicContact OE2-CZ 3.63Å; E632-R636 IonicContact OE2-NH2 3.84Å; E632-R636 PolarHBondContact OE2-NH2 3.43Å; R636-T638 VanDerWaalsContact C-N 3.29Å; R636-T638 PolarHBondContact O-N 2.96Å; R636-F657 HydrophobicContact CB-CD1 4.32Å; R636-F657 HydrophobicContact CB-CE1 4.21Å |
| 637 | L | 63.7 | Low | 74.2 | Confident | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 6.1 | -176.9 | -68.6 | 163.7 | 0 | 0 | 0 | 113.2 | V633 L639 V642 | V633-L637 HydrophobicContact CG1-CD1 4.29Å; V633-L637 WeakPolarHBondContact O-CD1 3.13Å; L637-L639 VanDerWaalsContact C-N 3.28Å; L637-L639 PolarHBondContact O-N 3.35Å; L637-V642 HydrophobicContact CD2-CB 4.41Å; L637-V642 HydrophobicContact CD2-CG1 4.03Å |
| 638 | T | 69.7 | Low | 74.2 | Confident | 90 Ų | 90 | 61.9 Ų | 61.9 | 55% | 0.552 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -3.3 | 177.4 | 60.3 | 0 | 0 | 0 | 0 | 113.8 | E635 R636 L746 | E635-T638 PolarHBondContact O-OG1 3.22Å; E635-T638 VanDerWaalsContact O-OG1 3.11Å; R636-T638 VanDerWaalsContact C-N 3.29Å; R636-T638 PolarHBondContact O-N 2.96Å; T638-L746 WeakPolarHBondContact O-CD2 3.36Å |
| 639 | L | 79.6 | Confident | 73.8 | Confident | 113 Ų | 113 | 57.9 Ų | 57.9 | 59% | 0.592 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -113.6 | 137.8 | 180 | -65.3 | 174.6 | 0 | 0 | 0 | 111.1 | L637 V642 L746 | L637-L639 VanDerWaalsContact C-N 3.28Å; L637-L639 PolarHBondContact O-N 3.35Å; L639-V642 HydrophobicContact CB-CG2 4.39Å; L639-L746 VanDerWaalsContact C-CD2 3.49Å |
| 640 | P | 86.3 | Confident | 73.2 | Confident | 55 Ų | 55 | 58.6 Ų | 58.6 | 36% | 0.357 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 144.1 | 170 | -19.8 | 31.8 | 0 | 0 | 0 | 110.8 | L746 | P640-L746 HydrophobicContact CB-CD2 4.49Å; P640-L746 HydrophobicContact CG-CD2 3.79Å |
| 641 | G | 88.1 | Confident | 72.9 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89 | 13.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E659 A660 C737 S740 | G641-E659 CarbonylContact O-C 3.54Å; G641-E659 WeakPolarHBondContact O-CA 3.39Å; G641-A660 PolarHBondContact O-N 2.94Å; G641-C737 PolarHBondContact O-SG 3.21Å; G641-S740 PolarHBondContact N-OG 2.93Å |
| 642 | V | 90.4 | Very high | 73.4 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 131.2 | 172.6 | -171.1 | 0 | 0 | 0 | 0 | 110.1 | L637 L639 F657 V658 E659 V747 | L637-V642 HydrophobicContact CD2-CB 4.41Å; L637-V642 HydrophobicContact CD2-CG1 4.03Å; L639-V642 HydrophobicContact CB-CG2 4.39Å; V642-F657 HydrophobicContact CG1-CD1 4.26Å; V642-V658 WeakPolarHBondContact CA-O 3.49Å; V642-E659 HydrophobicContact CG1-CG 4.12Å; V642-E659 HydrophobicContact CG2-CG 4.14Å; V642-V747 WeakPolarHBondContact O-CG2 3.47Å |
| 643 | A | 91.1 | Very high | 74.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 151.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | V658 T733 C737 V747 | A643-V658 PolarHBondContact N-O 2.89Å; A643-V658 PolarHBondContact O-N 2.9Å; A643-T733 HydrophobicContact CB-CG2 3.94Å; A643-C737 HydrophobicContact CB-CB 3.8Å; A643-V747 HydrophobicContact CB-CG2 4.41Å |
| 644 | L | 89.9 | Confident | 75.5 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 117 | -179.4 | -170.9 | 67.3 | 0 | 0 | 0 | 111.3 | V633 I655 F657 A752 M753 V781 | V633-L644 HydrophobicContact CG1-CD2 4.1Å; L644-I655 HydrophobicContact CD1-CB 4.02Å; L644-I655 HydrophobicContact CD1-CD1 4.39Å; L644-F657 HydrophobicContact CD1-CD1 3.97Å; L644-F657 HydrophobicContact CD1-CE1 3.68Å; L644-F657 HydrophobicContact CD1-CE2 4.34Å; L644-F657 HydrophobicContact CD1-CG 4.42Å; L644-F657 HydrophobicContact CD1-CZ 3.87Å; L644-A752 HydrophobicContact CD2-CB 3.94Å; L644-A752 HydrophobicContact CG-CB 4.16Å; L644-M753 PolarHBondContact O-N 2.88Å; L644-V781 HydrophobicContact CD2-CG2 3.54Å |
| 645 | G | 90.3 | Very high | 76.8 | Confident | 3 Ų | 3 | 47.6 Ų | 47.6 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 158.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | M656 T733 M753 | G645-M656 PolarHBondContact N-O 3.49Å; G645-M656 PolarHBondContact O-N 3.31Å; G645-T733 WeakPolarHBondContact CA-OG1 3.49Å; G645-M753 CarbonylContact C-O 3.59Å; G645-M753 WeakPolarHBondContact CA-O 3.36Å |
| 646 | L | 89.3 | Confident | 78.2 | Confident | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 125 | 174 | -56.1 | 172.9 | 0 | 0 | 0 | 110.9 | I655 A752 M753 K772 A776 V784 | L646-I655 HydrophobicContact CD2-CG2 3.98Å; L646-A752 HydrophobicContact CD1-CB 4.15Å; L646-A752 HydrophobicContact CD2-CB 3.76Å; L646-A752 HydrophobicContact CG-CB 3.88Å; L646-M753 PolarHBondContact N-O 3.49Å; L646-K772 HydrophobicContact CB-CB 3.87Å; L646-K772 HydrophobicContact CB-CD 4.2Å; L646-K772 HydrophobicContact CB-CG 4Å; L646-K772 HydrophobicContact CD1-CB 4.16Å; L646-A776 HydrophobicContact CD1-CB 4.1Å; L646-A776 HydrophobicContact CD2-CB 3.79Å; L646-V784 HydrophobicContact CD1-CG1 3.72Å |
| 647 | A | 84 | Confident | 79.5 | Confident | 14 Ų | 14 | 37.8 Ų | 37.8 | 12% | 0.116 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 152.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G653 E654 M656 | A647-G653 WeakPolarHBondContact O-CA 3.37Å; A647-E654 PolarHBondContact N-O 3.3Å; A647-E654 PolarHBondContact O-N 2.82Å; A647-M656 HydrophobicContact CB-CB 4.5Å; A647-M656 HydrophobicContact CB-CE 3.71Å |
| 648 | W | 80.3 | Confident | 80.8 | Confident | 129 Ų | 129 | 37.4 Ų | 37.4 | 49% | 0.489 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.1 | 169.6 | -177.4 | 87 | 0 | 0 | 0 | 109.2 | D771 K772 | W648-D771 PolarHBondContact NE1-OD2 3.01Å; W648-K772 HydrophobicContact CB-CG 4.47Å |
| 649 | T | 71.1 | Confident | 81.8 | Confident | 19 Ų | 19 | 35.7 Ų | 35.7 | 12% | 0.117 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 161.6 | 172.1 | 75.2 | 0 | 0 | 0 | 0 | 109.2 | L651 G652 | T649-L651 PolarHBondContact O-N 2.93Å; T649-L651 PolarHBondContact OG1-N 2.85Å; T649-G652 WeakPolarHBondContact CA-O 3.43Å; T649-G652 PolarHBondContact N-O 3.48Å; T649-G652 CarbonylContact O-C 3.59Å; T649-G652 WeakPolarHBondContact O-CA 3.35Å; T649-G652 PolarHBondContact O-N 2.95Å; T649-G652 VanDerWaalsContact O-O 3.1Å; T649-G652 PolarHBondContact OG1-N 3.44Å; T649-G652 PolarHBondContact OG1-O 2.74Å |
| 650 | P | 58.6 | Low | 82.4 | Confident | 83 Ų | 83 | 30.8 Ų | 30.8 | 54% | 0.539 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -18.3 | 172.2 | -24.7 | 34.9 | 0 | 0 | 0 | 114.2 | G652 | P650-G652 VanDerWaalsContact C-N 3.33Š|
| 651 | L | 57.3 | Low | 82.7 | Confident | 109 Ų | 109 | 31.1 Ų | 31.1 | 57% | 0.571 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -3.8 | 176.1 | -62.3 | 172.7 | 0 | 0 | 0 | 112.7 | P382 A564 T649 | P382-L651 HydrophobicContact CG-CD2 4.23Å; A564-L651 WeakPolarHBondContact CB-O 3.2Å; T649-L651 PolarHBondContact O-N 2.93Å; T649-L651 PolarHBondContact OG1-N 2.85Å |
| 652 | G | 68.9 | Low | 82.8 | Confident | 6 Ų | 6 | 35.3 Ų | 35.3 | 6% | 0.062 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 120.3 | -174.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T649 P650 | T649-G652 WeakPolarHBondContact CA-O 3.43Å; T649-G652 PolarHBondContact N-O 3.48Å; T649-G652 CarbonylContact O-C 3.59Å; T649-G652 WeakPolarHBondContact O-CA 3.35Å; T649-G652 PolarHBondContact O-N 2.95Å; T649-G652 VanDerWaalsContact O-O 3.1Å; T649-G652 PolarHBondContact OG1-N 3.44Å; T649-G652 PolarHBondContact OG1-O 2.74Å; P650-G652 VanDerWaalsContact C-N 3.33Å |
| 653 | G | 75.3 | Confident | 82.8 | Confident | 8 Ų | 8 | 39.3 Ų | 39.3 | 8% | 0.082 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 148.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | A647 D771 A775 R778 | A647-G653 WeakPolarHBondContact O-CA 3.37Å; G653-D771 WeakPolarHBondContact CA-O 3.37Å; G653-A775 WeakPolarHBondContact O-CB 3.48Å; G653-R778 PolarHBondContact O-NH2 3.28Å |
| 654 | E | 79 | Confident | 82.7 | Confident | 62 Ų | 62 | 47.3 Ų | 47.3 | 29% | 0.29 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 148.6 | 179 | -178.1 | 168.1 | -149.8 | 0 | 0 | 110.6 | R562 A647 | R562-E654 IonicContact CZ-OE1 2.78Å; R562-E654 IonicContact NE-OE1 3.53Å; R562-E654 IonicContact NH2-OE1 3.73Å; R562-E654 PolarHBondContact NH2-OE1 3.37Å; A647-E654 PolarHBondContact N-O 3.3Å; A647-E654 PolarHBondContact O-N 2.82Å |
| 655 | I | 83.6 | Confident | 82.5 | Confident | 34 Ų | 34 | 48.5 Ų | 48.5 | 17% | 0.174 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 139.9 | 169.9 | 56.3 | 161.3 | 0 | 0 | 0 | 110.5 | V633 L644 L646 F657 A779 | V633-I655 HydrophobicContact CG2-CD1 3.88Å; L644-I655 HydrophobicContact CD1-CB 4.02Å; L644-I655 HydrophobicContact CD1-CD1 4.39Å; L646-I655 HydrophobicContact CD2-CG2 3.98Å; I655-F657 HydrophobicContact CD1-CE2 4.19Å; I655-F657 HydrophobicContact CD1-CZ 4.37Å; I655-A779 HydrophobicContact CD1-CB 3.86Å; I655-A779 HydrophobicContact CG1-CB 4.43Å; I655-A779 HydrophobicContact CG2-CB 3.66Å |
| 656 | M | 85.6 | Confident | 82.3 | Confident | 23 Ų | 23 | 56.7 Ų | 56.7 | 11% | 0.113 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 126.2 | 179.9 | -174.6 | -176.1 | -53.1 | 0 | 0 | 109.8 | G645 A647 M679 F718 K725 | G645-M656 PolarHBondContact N-O 3.49Å; G645-M656 PolarHBondContact O-N 3.31Å; A647-M656 HydrophobicContact CB-CB 4.5Å; A647-M656 HydrophobicContact CB-CE 3.71Å; M656-M679 HydrophobicContact SD-CE 4.42Å; M656-F718 HydrophobicContact CG-CD1 4.49Å; M656-F718 HydrophobicContact SD-CD1 3.56Å; M656-F718 VanDerWaalsContact SD-CD1 3.56Å; M656-F718 HydrophobicContact SD-CE1 4.22Å; M656-K725 HydrophobicContact CE-CB 4.15Å; M656-K725 HydrophobicContact CE-CD 3.4Å; M656-K725 VanDerWaalsContact CE-CD 3.4Å; M656-K725 HydrophobicContact CE-CG 3.62Å; M656-K725 HydrophobicContact SD-CD 3.74Å |
| 657 | F | 87.4 | Confident | 82.1 | Confident | 17 Ų | 17 | 57.6 Ų | 57.6 | 8% | 0.075 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 137.2 | 167.3 | -62.7 | -85.7 | 0 | 0 | 0 | 109.6 | R636 V642 L644 I655 P719 | R636-F657 HydrophobicContact CB-CD1 4.32Å; R636-F657 HydrophobicContact CB-CE1 4.21Å; V642-F657 HydrophobicContact CG1-CD1 4.26Å; L644-F657 HydrophobicContact CD1-CD1 3.97Å; L644-F657 HydrophobicContact CD1-CE1 3.68Å; L644-F657 HydrophobicContact CD1-CE2 4.34Å; L644-F657 HydrophobicContact CD1-CG 4.42Å; L644-F657 HydrophobicContact CD1-CZ 3.87Å; I655-F657 HydrophobicContact CD1-CE2 4.19Å; I655-F657 HydrophobicContact CD1-CZ 4.37Å; F657-P719 HydrophobicContact CB-CG 4.46Å; F657-P719 WeakPolarHBondContact O-CD 3.42Å |
| 658 | V | 90.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 119.2 | 168.3 | -174.1 | 0 | 0 | 0 | 0 | 106.5 | V642 A643 L716 F718 T733 M734 C737 | V642-V658 WeakPolarHBondContact CA-O 3.49Å; A643-V658 PolarHBondContact N-O 2.89Å; A643-V658 PolarHBondContact O-N 2.9Å; V658-L716 HydrophobicContact CG1-CD2 3.51Å; V658-L716 HydrophobicContact CG1-CG 4.2Å; V658-F718 HydrophobicContact CB-CD1 4.49Å; V658-F718 HydrophobicContact CB-CE1 4.23Å; V658-F718 HydrophobicContact CG1-CD1 4.31Å; V658-F718 HydrophobicContact CG1-CE1 3.79Å; V658-F718 HydrophobicContact CG1-CZ 3.98Å; V658-F718 HydrophobicContact CG2-CD1 3.82Å; V658-F718 HydrophobicContact CG2-CE1 3.51Å; V658-F718 HydrophobicContact CG2-CZ 4.46Å; V658-T733 HydrophobicContact CB-CG2 4.12Å; V658-T733 HydrophobicContact CG2-CG2 3.53Å; V658-M734 HydrophobicContact CG1-CG 4.46Å; V658-C737 HydrophobicContact CB-CB 4.37Å; V658-C737 HydrophobicContact CG1-CB 4.11Å; V658-C737 PolarHBondContact O-SG 2.88Å |
| 659 | E | 91.7 | Very high | 82.9 | Confident | 55 Ų | 55 | 57.9 Ų | 57.9 | 26% | 0.257 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 132.9 | -177.5 | -64.9 | 171.4 | -172.3 | 0 | 0 | 108.1 | G641 V642 L716 H717 P719 | G641-E659 CarbonylContact O-C 3.54Å; G641-E659 WeakPolarHBondContact O-CA 3.39Å; V642-E659 HydrophobicContact CG1-CG 4.12Å; V642-E659 HydrophobicContact CG2-CG 4.14Å; E659-L716 CarbonylContact O-C 3.45Å; E659-L716 WeakPolarHBondContact O-CA 3.46Å; E659-H717 HydrophobicContact CB-CB 4.49Å; E659-H717 PolarHBondContact N-O 3.48Å; E659-H717 PolarHBondContact O-N 3.38Å; E659-H717 IonicContact OE2-CD2 2.62Å; E659-P719 HydrophobicContact CG-CG 4.36Å; E659-P719 WeakPolarHBondContact OE1-CG 3.39Å |
| 660 | A | 92.6 | Very high | 83.9 | Confident | 10 Ų | 10 | 59.7 Ų | 59.7 | 8% | 0.083 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 134.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | G641 H715 L716 C737 L738 L741 | G641-A660 PolarHBondContact O-N 2.94Å; A660-H715 WeakPolarHBondContact CA-O 3.35Å; A660-L716 HydrophobicContact CB-CD1 3.92Å; A660-L716 HydrophobicContact CB-CG 4.26Å; A660-C737 WeakPolarHBondContact CB-SG 3.24Å; A660-L738 HydrophobicContact CB-CD2 4.15Å; A660-L741 HydrophobicContact CB-CD2 3.73Å; A660-L741 WeakPolarHBondContact O-CD1 3.35Å |
| 661 | S | 91.5 | Very high | 85.5 | Confident | 62 Ų | 62 | 57.7 Ų | 57.7 | 43% | 0.434 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 152.8 | 170.5 | 66.3 | 0 | 0 | 0 | 0 | 109.9 | I714 H715 | S661-I714 WeakPolarHBondContact O-CA 3.47Å; S661-H715 PolarHBondContact N-O 3.35Å; S661-H715 PolarHBondContact O-N 2.96Å |
| 662 | R | 90.2 | Very high | 86.9 | Confident | 87 Ų | 87 | 54.7 Ų | 54.7 | 33% | 0.328 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 143.6 | 175.2 | 62.2 | -179.1 | -178.9 | -176.2 | 0.2 | 110.1 | L702 T712 D713 L741 | R662-L702 HydrophobicContact CG-CD2 4.11Å; R662-T712 HydrophobicContact CB-CG2 3.71Å; R662-D713 CarbonylContact C-O 3.52Å; R662-D713 WeakPolarHBondContact CA-O 3.5Å; R662-L741 HydrophobicContact CB-CD1 4.48Å; R662-L741 HydrophobicContact CB-CD2 4.06Å; R662-L741 HydrophobicContact CB-CG 4.4Å; R662-L741 HydrophobicContact CG-CD1 4.04Å; R662-L741 HydrophobicContact CG-CD2 4.48Å; R662-L741 HydrophobicContact CG-CG 4.29Å; R662-L741 PolarHBondContact NH1-O 3.44Å |
| 663 | M | 91.3 | Very high | 87.6 | Confident | 98 Ų | 98 | 55.4 Ų | 55.4 | 48% | 0.483 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 160.5 | 177.8 | 62.9 | -162.8 | -154.6 | 0 | 0 | 110.1 | T712 D713 | M663-T712 CarbonylContact O-C 3.51Å; M663-T712 WeakPolarHBondContact O-CA 3.43Å; M663-D713 HydrophobicContact CE-CB 3.87Å; M663-D713 HydrophobicContact CG-CB 3.74Å; M663-D713 PolarHBondContact N-O 2.79Å; M663-D713 PolarHBondContact O-N 2.99Å |
| 664 | E | 87.8 | Confident | 87.9 | Confident | 167 Ų | 167 | 61.2 Ų | 61.2 | 78% | 0.78 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 133.8 | 174.5 | -67.7 | -178.9 | 173.8 | 0 | 0 | 109.9 | L702 | E664-L702 HydrophobicContact CG-CD1 3.87Å |
| 665 | G | 87.3 | Confident | 88.1 | Confident | 27 Ų | 27 | 59.3 Ų | 59.3 | 28% | 0.278 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -180 | -163.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | G711 | G665-G711 PolarHBondContact N-O 3.18Å; G665-G711 VanDerWaalsContact N-O 3.13Å; G665-G711 CarbonylContact O-C 3Å; G665-G711 WeakPolarHBondContact O-CA 3.31Å |
| 666 | E | 85.6 | Confident | 88.1 | Confident | 175 Ų | 175 | 58.4 Ų | 58.4 | 82% | 0.818 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -92.7 | 1.2 | -173 | -64.4 | -175.4 | 170.1 | 0 | 0 | 114.1 | D713 | E666-D713 PolarHBondContact N-OD1 2.95Š|
| 667 | G | 84.3 | Confident | 88.1 | Confident | 25 Ų | 25 | 62.9 Ų | 62.9 | 26% | 0.258 | 34% | 0.337 | S | S | . | . | S | Bend | trans | 96.2 | 28.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | M709 T712 D713 | G667-M709 VanDerWaalsContact CA-O 3.31Å; G667-M709 WeakPolarHBondContact CA-O 3.47Å; G667-M709 WeakPolarHBondContact O-CE 3.39Å; G667-T712 WeakPolarHBondContact CA-O 3.26Å; G667-D713 PolarHBondContact N-OD1 3.06Å |
| 668 | Q | 90 | Very high | 88.1 | Confident | 114 Ų | 114 | 65 Ų | 65 | 53% | 0.533 | 35% | 0.351 | S | S | . | . | trans | -83.3 | 145.6 | 179.2 | -61.3 | -161.8 | 0.3 | 0 | 0 | 112.5 | D713 I714 | Q668-D713 PolarHBondContact N-OD1 3.47Å; Q668-D713 WeakPolarHBondContact O-CA 3.47Å; Q668-I714 PolarHBondContact O-N 2.98Å | ||
| 669 | L | 91.6 | Very high | 88 | Confident | 34 Ų | 34 | 65.1 Ų | 65.1 | 18% | 0.178 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 111.9 | 172.8 | 179.1 | 64.7 | 0 | 0 | 0 | 109.8 | L671 A683 I687 I714 | L669-L671 HydrophobicContact CD1-CD2 4.06Å; L669-L671 HydrophobicContact CD2-CD2 4.13Å; L669-L671 HydrophobicContact CD2-CG 4.45Å; L669-L671 HydrophobicContact CG-CD2 3.94Å; L669-L671 HydrophobicContact CG-CG 4.21Å; L669-A683 HydrophobicContact CD2-CB 4.39Å; L669-I687 HydrophobicContact CD2-CG2 4.35Å; L669-I714 HydrophobicContact CD1-CB 4.09Å; L669-I714 HydrophobicContact CD1-CG2 3.95Å |
| 670 | T | 92.1 | Very high | 87.9 | Confident | 57 Ų | 57 | 66.4 Ų | 66.4 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 128.6 | 174.9 | -60.7 | 0 | 0 | 0 | 0 | 110.1 | T672 I714 H715 L716 | T670-T672 HydrophobicContact CG2-CG2 4.35Å; T670-I714 PolarHBondContact N-O 3.48Å; T670-H715 CarbonylContact O-C 3.59Å; T670-H715 WeakPolarHBondContact O-CA 3.33Å; T670-H715 PolarHBondContact O-CD2 2.81Å; T670-L716 PolarHBondContact O-N 3.35Å |
| 671 | L | 91.9 | Very high | 87.8 | Confident | 42 Ų | 42 | 72 Ų | 72 | 22% | 0.22 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128.5 | -178.3 | -59.2 | 176.1 | 0 | 0 | 0 | 110.5 | L669 L675 K680 A683 L716 | L669-L671 HydrophobicContact CD1-CD2 4.06Å; L669-L671 HydrophobicContact CD2-CD2 4.13Å; L669-L671 HydrophobicContact CD2-CG 4.45Å; L669-L671 HydrophobicContact CG-CD2 3.94Å; L669-L671 HydrophobicContact CG-CG 4.21Å; L671-L675 HydrophobicContact CB-CD1 3.95Å; L671-K680 HydrophobicContact CD1-CB 3.98Å; L671-K680 HydrophobicContact CD1-CG 3.97Å; L671-A683 HydrophobicContact CD1-CB 3.84Å; L671-A683 HydrophobicContact CD2-CB 3.76Å; L671-A683 HydrophobicContact CG-CB 4.48Å; L671-L716 HydrophobicContact CD2-CB 3.61Å |
| 672 | T | 86.9 | Confident | 87.8 | Confident | 45 Ų | 45 | 69.3 Ų | 69.3 | 28% | 0.276 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 154.2 | -178.8 | 56.7 | 0 | 0 | 0 | 0 | 112.4 | T670 H715 L716 H717 F718 | T670-T672 HydrophobicContact CG2-CG2 4.35Å; T672-H715 WeakPolarHBondContact CG2-NE2 3.39Å; T672-H715 PolarHBondContact OG1-NE2 3.47Å; T672-L716 PolarHBondContact N-O 2.76Å; T672-L716 PolarHBondContact OG1-O 3.04Å; T672-H717 PolarHBondContact OG1-ND1 2.96Å; T672-F718 PolarHBondContact O-N 3.44Å |
| 673 | G | 84.2 | Confident | 87.9 | Confident | 22 Ų | 22 | 65.3 Ų | 65.3 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 115.9 | 31.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | L675 F718 | G673-L675 PolarHBondContact O-N 3.42Å; G673-F718 WeakPolarHBondContact CA-O 3.43Å |
| 674 | Q | 81.9 | Confident | 87.9 | Confident | 129 Ų | 129 | 65.3 Ų | 65.3 | 60% | 0.603 | 35% | 0.346 | S | S | * | . | S | Bend | trans | 55.9 | 50 | 178 | -59 | -175.9 | 1.2 | 0 | 0 | 113.9 | K725 | Q674-K725 PolarHBondContact O-N 2.85Š|
| 675 | L | 83 | Confident | 88.1 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 12% | 0.115 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -80.1 | 135.4 | 179.7 | -58 | 177.2 | 0 | 0 | 0 | 111.5 | L671 G673 M679 K680 F718 K725 | L671-L675 HydrophobicContact CB-CD1 3.95Å; G673-L675 PolarHBondContact O-N 3.42Å; L675-M679 HydrophobicContact CB-CB 4.18Å; L675-M679 HydrophobicContact CD2-CB 4.27Å; L675-M679 HydrophobicContact CD2-CE 3.4Å; L675-M679 VanDerWaalsContact CD2-CE 3.4Å; L675-K680 HydrophobicContact CB-CG 4.37Å; L675-K680 WeakPolarHBondContact O-CE 3.49Å; L675-F718 HydrophobicContact CD1-CD2 3.55Å; L675-F718 HydrophobicContact CD1-CE2 3.44Å; L675-F718 VanDerWaalsContact CD1-CE2 3.44Å; L675-F718 HydrophobicContact CD1-CZ 4.4Å; L675-F718 HydrophobicContact CD2-CB 4.2Å; L675-F718 HydrophobicContact CD2-CD1 4.37Å; L675-F718 HydrophobicContact CD2-CD2 3.63Å; L675-F718 HydrophobicContact CD2-CE2 3.95Å; L675-F718 HydrophobicContact CD2-CG 3.83Å; L675-F718 HydrophobicContact CD2-CZ 4.46Å; L675-F718 HydrophobicContact CG-CD2 4Å; L675-F718 HydrophobicContact CG-CE2 4.26Å; L675-K725 HydrophobicContact CD2-CB 4.28Å |
| 676 | G | 83.3 | Confident | 88.4 | Confident | 15 Ų | 15 | 58.1 Ų | 58.1 | 16% | 0.155 | 31% | 0.306 | C | S | . | . | trans | -71.7 | 172.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V678 M679 K680 K725 D726 | G676-V678 VanDerWaalsContact C-N 3.34Å; G676-V678 PolarHBondContact O-N 2.78Å; G676-M679 PolarHBondContact O-N 3.35Å; G676-K680 WeakPolarHBondContact O-CG 3.06Å; G676-K680 PolarHBondContact O-N 2.97Å; G676-K725 PolarHBondContact N-O 3.11Å; G676-K725 VanDerWaalsContact N-O 3.13Å; G676-D726 WeakPolarHBondContact CA-OD1 3.32Å | ||
| 677 | D | 85.8 | Confident | 88.7 | Confident | 118 Ų | 118 | 50.3 Ų | 50.3 | 63% | 0.631 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -69.4 | -31.8 | -173.2 | -64.5 | -33.2 | 0 | 0 | 0 | 112.6 | M679 K680 E681 | D677-M679 VanDerWaalsContact C-N 3.35Å; D677-M679 PolarHBondContact O-N 3.26Å; D677-K680 PolarHBondContact O-N 2.67Å; D677-K680 IonicContact OD1-NZ 2.72Å; D677-K680 PolarHBondContact OD1-NZ 3.49Å; D677-E681 PolarHBondContact O-N 3.47Å |
| 678 | V | 87.7 | Confident | 89 | Confident | 60 Ų | 60 | 51.9 Ų | 51.9 | 36% | 0.364 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.3 | -37 | 177.3 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | G676 S682 D726 P728 | G676-V678 VanDerWaalsContact C-N 3.34Å; G676-V678 PolarHBondContact O-N 2.78Å; V678-S682 PolarHBondContact O-N 2.9Å; V678-S682 PolarHBondContact O-OG 3.37Å; V678-D726 WeakPolarHBondContact CB-OD1 3.36Å; V678-D726 PolarHBondContact N-OD1 3.22Å; V678-P728 HydrophobicContact CG1-CB 4.03Å; V678-P728 HydrophobicContact CG1-CG 4.3Å |
| 679 | M | 87.3 | Confident | 89.2 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.02 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.7 | -38.1 | 174.5 | -86.2 | -88.5 | -81.2 | 0 | 0 | 111.9 | M656 L675 G676 D677 S682 A683 F718 K725 G727 A730 M734 | M656-M679 HydrophobicContact SD-CE 4.42Å; L675-M679 HydrophobicContact CB-CB 4.18Å; L675-M679 HydrophobicContact CD2-CB 4.27Å; L675-M679 HydrophobicContact CD2-CE 3.4Å; L675-M679 VanDerWaalsContact CD2-CE 3.4Å; G676-M679 PolarHBondContact O-N 3.35Å; D677-M679 VanDerWaalsContact C-N 3.35Å; D677-M679 PolarHBondContact O-N 3.26Å; M679-S682 WeakPolarHBondContact O-CB 3.36Å; M679-S682 PolarHBondContact O-N 3.43Å; M679-A683 PolarHBondContact O-N 2.85Å; M679-F718 HydrophobicContact CE-CD1 3.96Å; M679-F718 HydrophobicContact CE-CE1 3.62Å; M679-F718 HydrophobicContact CE-CZ 3.98Å; M679-K725 HydrophobicContact CE-CB 4.14Å; M679-K725 WeakPolarHBondContact CG-O 3.47Å; M679-G727 WeakPolarHBondContact CG-O 3.47Å; M679-G727 VanDerWaalsContact SD-O 3.36Å; M679-A730 HydrophobicContact CE-CB 4.32Å; M679-A730 HydrophobicContact SD-CB 3.8Å; M679-M734 HydrophobicContact CE-CE 3.97Å; M679-M734 HydrophobicContact SD-CE 3.41Å; M679-M734 WeakPolarHBondContact SD-CE 3.31Å |
| 680 | K | 89.8 | Confident | 89.2 | Confident | 82 Ų | 82 | 45.3 Ų | 45.3 | 36% | 0.357 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.6 | -44.1 | 175.6 | -64.6 | 172.4 | -163.5 | 157.1 | 0 | 111.2 | L671 L675 G676 D677 S682 A683 H684 | L671-K680 HydrophobicContact CD1-CB 3.98Å; L671-K680 HydrophobicContact CD1-CG 3.97Å; L675-K680 HydrophobicContact CB-CG 4.37Å; L675-K680 WeakPolarHBondContact O-CE 3.49Å; G676-K680 WeakPolarHBondContact O-CG 3.06Å; G676-K680 PolarHBondContact O-N 2.97Å; D677-K680 PolarHBondContact O-N 2.67Å; D677-K680 IonicContact OD1-NZ 2.72Å; D677-K680 PolarHBondContact OD1-NZ 3.49Å; K680-S682 VanDerWaalsContact C-N 3.31Å; K680-S682 PolarHBondContact O-N 3.46Å; K680-A683 WeakPolarHBondContact O-CB 3.44Å; K680-A683 PolarHBondContact O-N 3.43Å; K680-H684 PolarHBondContact O-CD2 2.93Å; K680-H684 PolarHBondContact O-N 2.87Å; K680-H684 VanDerWaalsContact O-N 3.1Å |
| 681 | E | 90.9 | Very high | 89 | Confident | 126 Ų | 126 | 48.5 Ų | 48.5 | 59% | 0.589 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -60 | -42.8 | 174.8 | -171.6 | 174.1 | -174.7 | 0 | 0 | 111.4 | D677 A683 H684 L685 | D677-E681 PolarHBondContact O-N 3.47Å; E681-A683 VanDerWaalsContact C-N 3.31Å; E681-A683 PolarHBondContact O-N 2.79Å; E681-H684 PolarHBondContact O-N 2.96Å; E681-H684 VanDerWaalsContact O-N 3.16Å; E681-L685 HydrophobicContact CG-CD1 4.47Å; E681-L685 WeakPolarHBondContact O-CG 3.5Å; E681-L685 PolarHBondContact O-N 2.88Å |
| 682 | S | 91.9 | Very high | 88.9 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 5% | 0.049 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.9 | -38 | 176 | -59.2 | 0 | 0 | 0 | 0 | 112.9 | V678 M679 K680 L685 A686 | V678-S682 PolarHBondContact O-N 2.9Å; V678-S682 PolarHBondContact O-OG 3.37Å; M679-S682 WeakPolarHBondContact O-CB 3.36Å; M679-S682 PolarHBondContact O-N 3.43Å; K680-S682 VanDerWaalsContact C-N 3.31Å; K680-S682 PolarHBondContact O-N 3.46Å; S682-L685 PolarHBondContact O-N 2.88Å; S682-A686 PolarHBondContact O-N 3.36Å |
| 683 | A | 91.6 | Very high | 89 | Confident | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.017 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.1 | -41 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L669 L671 M679 K680 E681 L685 A686 I687 M734 | L669-A683 HydrophobicContact CD2-CB 4.39Å; L671-A683 HydrophobicContact CD1-CB 3.84Å; L671-A683 HydrophobicContact CD2-CB 3.76Å; L671-A683 HydrophobicContact CG-CB 4.48Å; M679-A683 PolarHBondContact O-N 2.85Å; K680-A683 WeakPolarHBondContact O-CB 3.44Å; K680-A683 PolarHBondContact O-N 3.43Å; E681-A683 VanDerWaalsContact C-N 3.31Å; E681-A683 PolarHBondContact O-N 2.79Å; A683-L685 VanDerWaalsContact C-N 3.34Å; A683-L685 PolarHBondContact O-N 3.4Å; A683-A686 PolarHBondContact O-N 3.29Å; A683-I687 PolarHBondContact O-N 3.39Å; A683-I687 VanDerWaalsContact O-N 3.09Å; A683-M734 VanDerWaalsContact CA-SD 3.54Å; A683-M734 HydrophobicContact CB-SD 3.67Å |
| 684 | H | 91.8 | Very high | 89.1 | Confident | 99 Ų | 99 | 49 Ų | 49 | 46% | 0.458 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.3 | -35.6 | 174 | -73.6 | -65.5 | 0 | 0 | 0 | 112.7 | K680 E681 I687 S688 | K680-H684 PolarHBondContact O-CD2 2.93Å; K680-H684 PolarHBondContact O-N 2.87Å; K680-H684 VanDerWaalsContact O-N 3.1Å; E681-H684 PolarHBondContact O-N 2.96Å; E681-H684 VanDerWaalsContact O-N 3.16Å; H684-I687 WeakPolarHBondContact O-CG2 3.4Å; H684-S688 VanDerWaalsContact O-CB 3.31Å; H684-S688 WeakPolarHBondContact O-CB 3.37Å; H684-S688 PolarHBondContact O-N 2.77Å; H684-S688 VanDerWaalsContact O-N 3.08Å; H684-S688 PolarHBondContact O-OG 3.48Å |
| 685 | L | 92.3 | Very high | 89.2 | Confident | 42 Ų | 42 | 52.5 Ų | 52.5 | 22% | 0.22 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 172.9 | -72.9 | 170.8 | 0 | 0 | 0 | 111.5 | E681 S682 A683 S688 W689 I757 L759 | E681-L685 HydrophobicContact CG-CD1 4.47Å; E681-L685 WeakPolarHBondContact O-CG 3.5Å; E681-L685 PolarHBondContact O-N 2.88Å; S682-L685 PolarHBondContact O-N 2.88Å; A683-L685 VanDerWaalsContact C-N 3.34Å; A683-L685 PolarHBondContact O-N 3.4Å; L685-S688 PolarHBondContact O-N 3.16Å; L685-W689 PolarHBondContact O-N 3.17Å; L685-I757 HydrophobicContact CB-CD1 4.29Å; L685-I757 HydrophobicContact CB-CG1 4.44Å; L685-L759 HydrophobicContact CD2-CD1 4.29Å; L685-L759 HydrophobicContact CD2-CD2 3.44Å; L685-L759 VanDerWaalsContact CD2-CD2 3.44Å; L685-L759 HydrophobicContact CD2-CG 3.52Å |
| 686 | A | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.8 | -48.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S682 A683 S688 W689 L690 M734 V735 L738 I757 | S682-A686 PolarHBondContact O-N 3.36Å; A683-A686 PolarHBondContact O-N 3.29Å; A686-S688 PolarHBondContact O-N 3.12Å; A686-W689 PolarHBondContact O-N 3.46Å; A686-L690 WeakPolarHBondContact O-CG 3.5Å; A686-L690 PolarHBondContact O-N 3.18Å; A686-M734 HydrophobicContact CB-CB 4.04Å; A686-V735 HydrophobicContact CB-CG2 3.63Å; A686-L738 HydrophobicContact CB-CD1 4.31Å; A686-I757 HydrophobicContact CB-CD1 3.8Å |
| 687 | I | 91.4 | Very high | 89.4 | Confident | 11 Ų | 11 | 53.7 Ų | 53.7 | 6% | 0.056 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 179.6 | -159.1 | 72.3 | 0 | 0 | 0 | 111.7 | L669 A683 H684 W689 L690 R691 M709 I714 L738 F742 | L669-I687 HydrophobicContact CD2-CG2 4.35Å; A683-I687 PolarHBondContact O-N 3.39Å; A683-I687 VanDerWaalsContact O-N 3.09Å; H684-I687 WeakPolarHBondContact O-CG2 3.4Å; I687-W689 PolarHBondContact O-N 3.17Å; I687-L690 PolarHBondContact O-N 2.62Å; I687-R691 WeakPolarHBondContact O-CG 3.39Å; I687-R691 PolarHBondContact O-N 3.47Å; I687-M709 HydrophobicContact CD1-CG 4.22Å; I687-M709 HydrophobicContact CD1-SD 3.67Å; I687-M709 HydrophobicContact CG1-CE 4.26Å; I687-M709 HydrophobicContact CG1-CG 4.01Å; I687-M709 HydrophobicContact CG1-SD 3.82Å; I687-I714 HydrophobicContact CD1-CD1 3.92Å; I687-L738 HydrophobicContact CD1-CD1 3.94Å; I687-L738 HydrophobicContact CD1-CD2 4.36Å; I687-F742 HydrophobicContact CD1-CE2 4Å; I687-F742 HydrophobicContact CD1-CZ 3.94Å |
| 688 | S | 91.4 | Very high | 89.4 | Confident | 58 Ų | 58 | 53.3 Ų | 53.3 | 41% | 0.406 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 178.9 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | H684 L685 A686 A692 | H684-S688 VanDerWaalsContact O-CB 3.31Å; H684-S688 WeakPolarHBondContact O-CB 3.37Å; H684-S688 PolarHBondContact O-N 2.77Å; H684-S688 VanDerWaalsContact O-N 3.08Å; H684-S688 PolarHBondContact O-OG 3.48Å; L685-S688 PolarHBondContact O-N 3.16Å; A686-S688 PolarHBondContact O-N 3.12Å; S688-A692 WeakPolarHBondContact O-CB 3.31Å; S688-A692 PolarHBondContact O-N 2.82Å; S688-A692 VanDerWaalsContact O-N 3.13Å |
| 689 | W | 92.9 | Very high | 89.3 | Confident | 9 Ų | 9 | 50.5 Ų | 50.5 | 3% | 0.034 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.3 | -41.8 | 176.6 | -175.4 | 89.1 | 0 | 0 | 0 | 112.2 | L685 A686 I687 A692 N693 Y697 V735 G761 L813 L817 | L685-W689 PolarHBondContact O-N 3.17Å; A686-W689 PolarHBondContact O-N 3.46Å; I687-W689 PolarHBondContact O-N 3.17Å; W689-A692 PolarHBondContact O-N 2.91Å; W689-N693 PolarHBondContact NE1-ND2 3.18Å; W689-N693 PolarHBondContact O-N 3.39Å; W689-N693 VanDerWaalsContact O-N 3.11Å; W689-N693 PolarHBondContact O-ND2 3.39Å; W689-Y697 HydrophobicContact CH2-CD2 4.23Å; W689-Y697 AromaticContact CH2-CE2 3.5Å; W689-Y697 HydrophobicContact CH2-CE2 3.5Å; W689-Y697 VanDerWaalsContact CH2-CE2 3.5Å; W689-Y697 HydrophobicContact CZ2-CE2 4.17Å; W689-Y697 HydrophobicContact CZ3-CE2 4.21Å; W689-V735 HydrophobicContact CE3-CG1 4.08Å; W689-V735 HydrophobicContact CZ3-CG1 3.91Å; W689-G761 VanDerWaalsContact NE1-CA 3.3Å; W689-L813 HydrophobicContact CD2-CD1 3.45Å; W689-L813 VanDerWaalsContact CD2-CD1 3.45Å; W689-L813 HydrophobicContact CE3-CD1 3.68Å; W689-L813 HydrophobicContact CG-CD1 3.95Å; W689-L813 HydrophobicContact CH2-CB 3.65Å; W689-L813 HydrophobicContact CH2-CD1 4.02Å; W689-L813 HydrophobicContact CH2-CG 4.49Å; W689-L813 HydrophobicContact CZ2-CB 3.67Å; W689-L813 HydrophobicContact CZ2-CD1 3.84Å; W689-L813 HydrophobicContact CZ2-CG 4.39Å; W689-L813 HydrophobicContact CZ3-CB 4.23Å; W689-L813 HydrophobicContact CZ3-CD1 3.96Å; W689-L817 HydrophobicContact CH2-CD1 4.19Å; W689-L817 HydrophobicContact CZ3-CD1 4.28Å |
| 690 | L | 90.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65 | -42.5 | 178.3 | -75.6 | 168.7 | 0 | 0 | 0 | 112.3 | A686 I687 A692 N693 A694 L699 V735 L738 A739 F742 | A686-L690 WeakPolarHBondContact O-CG 3.5Å; A686-L690 PolarHBondContact O-N 3.18Å; I687-L690 PolarHBondContact O-N 2.62Å; L690-A692 VanDerWaalsContact C-N 3.33Å; L690-A692 PolarHBondContact O-N 2.85Å; L690-N693 CarbonylContact O-C 3.47Å; L690-N693 PolarHBondContact O-N 2.85Å; L690-A694 WeakPolarHBondContact O-CA 3.49Å; L690-A694 PolarHBondContact O-N 3.43Å; L690-L699 HydrophobicContact CB-CD1 4.34Å; L690-L699 HydrophobicContact CD2-CD1 3.62Å; L690-V735 HydrophobicContact CD2-CG1 4.12Å; L690-V735 HydrophobicContact CG-CG1 4.37Å; L690-L738 HydrophobicContact CD1-CB 3.27Å; L690-L738 HydrophobicContact CD1-CD1 3.94Å; L690-L738 HydrophobicContact CD1-CG 4.26Å; L690-A739 HydrophobicContact CD2-CB 4.15Å; L690-F742 HydrophobicContact CD1-CE2 4.43Å |
| 691 | R | 89.8 | Confident | 88.7 | Confident | 124 Ų | 124 | 49.8 Ų | 49.8 | 47% | 0.468 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.4 | -44 | 173.9 | -71.3 | -179.9 | 81 | -174.9 | -1.9 | 111.7 | I687 N693 A694 D707 P708 M709 | I687-R691 WeakPolarHBondContact O-CG 3.39Å; I687-R691 PolarHBondContact O-N 3.47Å; R691-N693 PolarHBondContact O-N 3.48Å; R691-A694 PolarHBondContact O-N 3.15Å; R691-D707 IonicContact CZ-OD1 3.87Å; R691-D707 IonicContact CZ-OD2 3.53Å; R691-D707 IonicContact NE-OD1 3.13Å; R691-D707 PolarHBondContact NE-OD1 3.35Å; R691-D707 VanDerWaalsContact NE-OD1 3.13Å; R691-D707 IonicContact NE-OD2 3.49Å; R691-D707 PolarHBondContact NE-OD2 2.98Å; R691-D707 IonicContact NH2-OD1 3.76Å; R691-D707 IonicContact NH2-OD2 2.72Å; R691-D707 PolarHBondContact NH2-OD2 3.27Å; R691-P708 HydrophobicContact CG-CG 4.22Å; R691-M709 HydrophobicContact CG-CG 3.98Å |
| 692 | A | 89.3 | Confident | 87.9 | Confident | 81 Ų | 81 | 47.2 Ų | 47.2 | 67% | 0.669 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63.9 | -28.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S688 W689 L690 | S688-A692 WeakPolarHBondContact O-CB 3.31Å; S688-A692 PolarHBondContact O-N 2.82Å; S688-A692 VanDerWaalsContact O-N 3.13Å; W689-A692 PolarHBondContact O-N 2.91Å; L690-A692 VanDerWaalsContact C-N 3.33Å; L690-A692 PolarHBondContact O-N 2.85Å |
| 693 | N | 88.4 | Confident | 87.1 | Confident | 37 Ų | 37 | 53.2 Ų | 53.2 | 20% | 0.198 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -110.3 | 9.7 | -176.8 | -63 | -73.5 | 0 | 0 | 0 | 114 | W689 L690 R691 R695 T696 Y697 | W689-N693 PolarHBondContact NE1-ND2 3.18Å; W689-N693 PolarHBondContact O-N 3.39Å; W689-N693 VanDerWaalsContact O-N 3.11Å; W689-N693 PolarHBondContact O-ND2 3.39Å; L690-N693 CarbonylContact O-C 3.47Å; L690-N693 PolarHBondContact O-N 2.85Å; R691-N693 PolarHBondContact O-N 3.48Å; N693-R695 VanDerWaalsContact C-N 3.28Å; N693-R695 PolarHBondContact O-N 2.89Å; N693-T696 WeakPolarHBondContact O-CB 3.4Å; N693-T696 PolarHBondContact O-N 3.03Å; N693-Y697 HydrophobicContact CB-CD2 3.8Å; N693-Y697 HydrophobicContact CB-CE2 4.08Å; N693-Y697 PolarHBondContact O-N 3.26Å |
| 694 | A | 86.5 | Confident | 86.4 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 3% | 0.025 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -41.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113 | L690 R691 Y697 Q698 L699 P708 | L690-A694 WeakPolarHBondContact O-CA 3.49Å; L690-A694 PolarHBondContact O-N 3.43Å; R691-A694 PolarHBondContact O-N 3.15Å; A694-Y697 CarbonylContact O-C 3.56Å; A694-Y697 PolarHBondContact O-N 3.02Å; A694-Q698 PolarHBondContact O-N 2.66Å; A694-L699 HydrophobicContact CB-CB 4.18Å; A694-L699 PolarHBondContact O-N 3.07Å; A694-P708 HydrophobicContact CB-CG 4.01Å |
| 695 | R | 85 | Confident | 85.7 | Confident | 201 Ų | 201 | 51.7 Ų | 51.7 | 76% | 0.758 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -38 | 178.3 | -66.7 | -176 | -179.3 | -179.3 | 0.5 | 113.6 | N693 Y697 | N693-R695 VanDerWaalsContact C-N 3.28Å; N693-R695 PolarHBondContact O-N 2.89Å; R695-Y697 PolarHBondContact O-N 3.3Å |
| 696 | T | 84.9 | Confident | 85 | Confident | 56 Ų | 56 | 53.7 Ų | 53.7 | 34% | 0.344 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -39.3 | 179.2 | -54.2 | 0 | 0 | 0 | 0 | 110.3 | N693 A827 K828 | N693-T696 WeakPolarHBondContact O-CB 3.4Å; N693-T696 PolarHBondContact O-N 3.03Å; T696-A827 HydrophobicContact CG2-CB 4.44Å; T696-A827 WeakPolarHBondContact O-CA 3.12Å; T696-K828 PolarHBondContact O-N 3.01Å |
| 697 | Y | 83.9 | Confident | 84.5 | Confident | 7 Ų | 7 | 55.7 Ų | 55.7 | 3% | 0.027 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 5.9 | -171.7 | -76.8 | -54 | 0 | 0 | 0 | 115.1 | W689 N693 A694 R695 L699 D814 L817 F825 A827 | W689-Y697 HydrophobicContact CH2-CD2 4.23Å; W689-Y697 AromaticContact CH2-CE2 3.5Å; W689-Y697 HydrophobicContact CH2-CE2 3.5Å; W689-Y697 VanDerWaalsContact CH2-CE2 3.5Å; W689-Y697 HydrophobicContact CZ2-CE2 4.17Å; W689-Y697 HydrophobicContact CZ3-CE2 4.21Å; N693-Y697 HydrophobicContact CB-CD2 3.8Å; N693-Y697 HydrophobicContact CB-CE2 4.08Å; N693-Y697 PolarHBondContact O-N 3.26Å; A694-Y697 CarbonylContact O-C 3.56Å; A694-Y697 PolarHBondContact O-N 3.02Å; R695-Y697 PolarHBondContact O-N 3.3Å; Y697-L699 PolarHBondContact O-N 3.48Å; Y697-D814 WeakPolarHBondContact OH-CB 3.36Å; Y697-D814 PolarHBondContact OH-OD1 2.87Å; Y697-L817 HydrophobicContact CD1-CD1 4.4Å; Y697-L817 HydrophobicContact CE1-CD1 4.02Å; Y697-L817 HydrophobicContact CE2-CD1 4.24Å; Y697-F825 AromaticContact CD1-CD1 3.41Å; Y697-F825 HydrophobicContact CD1-CD1 3.41Å; Y697-F825 VanDerWaalsContact CD1-CD1 3.41Å; Y697-F825 AromaticContact CD1-CE1 3.71Å; Y697-F825 HydrophobicContact CD1-CE1 3.71Å; Y697-F825 AromaticContact CE1-CD1 3.91Å; Y697-F825 HydrophobicContact CE1-CD1 3.91Å; Y697-F825 HydrophobicContact CG-CD1 4.21Å; Y697-F825 HydrophobicContact CG-CE1 4.06Å; Y697-A827 HydrophobicContact CD1-CB 4.43Å; Y697-A827 HydrophobicContact CE1-CB 3.98Å |
| 698 | Q | 85.9 | Confident | 84.1 | Confident | 109 Ų | 109 | 55.1 Ų | 55.1 | 51% | 0.509 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 38.6 | 179.3 | -52.9 | 178.7 | 10.3 | 0 | 0 | 112.7 | A694 | A694-Q698 PolarHBondContact O-N 2.66Š|
| 699 | L | 85.9 | Confident | 83.8 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | trans | -83.5 | 128.3 | 177.3 | -52.5 | 179.5 | 0 | 0 | 0 | 109 | L690 A694 Y697 F742 F825 | L690-L699 HydrophobicContact CB-CD1 4.34Å; L690-L699 HydrophobicContact CD2-CD1 3.62Å; A694-L699 HydrophobicContact CB-CB 4.18Å; A694-L699 PolarHBondContact O-N 3.07Å; Y697-L699 PolarHBondContact O-N 3.48Å; L699-F742 HydrophobicContact CB-CB 4.05Å; L699-F742 HydrophobicContact CD2-CB 4.15Å; L699-F825 HydrophobicContact CD2-CE1 4.19Å; L699-F825 HydrophobicContact CD2-CZ 4Å | ||
| 700 | T | 83.7 | Confident | 83.5 | Confident | 57 Ų | 57 | 58.4 Ų | 58.4 | 35% | 0.35 | 32% | 0.321 | S | S | . | . | trans | -125.2 | 152.9 | -177.9 | 57.1 | 0 | 0 | 0 | 0 | 111.7 | G705 | T700-G705 WeakPolarHBondContact CA-O 3.17Š| ||
| 701 | N | 80.9 | Confident | 83.1 | Confident | 13 Ų | 13 | 60.4 Ų | 60.4 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | trans | -75.1 | -175.4 | 168.8 | 71.4 | 8.6 | 0 | 0 | 0 | 111.5 | V703 G704 G705 D707 E710 | N701-V703 PolarHBondContact O-N 2.93Å; N701-V703 PolarHBondContact OD1-N 3.27Å; N701-G704 PolarHBondContact O-N 3.22Å; N701-G704 PolarHBondContact OD1-N 2.9Å; N701-G705 PolarHBondContact N-O 3.45Å; N701-G705 WeakPolarHBondContact OD1-CA 3.35Å; N701-G705 PolarHBondContact OD1-N 2.95Å; N701-D707 WeakPolarHBondContact CB-O 3.3Å; N701-E710 PolarHBondContact ND2-O 3.35Å | ||
| 702 | L | 74.8 | Confident | 83 | Confident | 72 Ų | 72 | 54.6 Ų | 54.6 | 38% | 0.377 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -29 | 179.9 | -74.2 | 168.8 | 0 | 0 | 0 | 114.1 | R662 E664 T712 | R662-L702 HydrophobicContact CG-CD2 4.11Å; E664-L702 HydrophobicContact CG-CD1 3.87Å; L702-T712 HydrophobicContact CD1-CG2 4.12Å; L702-T712 HydrophobicContact CG-CG2 4.24Å |
| 703 | V | 75.4 | Confident | 83.1 | Confident | 134 Ų | 134 | 51.8 Ų | 51.8 | 81% | 0.812 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 5.4 | -175.4 | -163.3 | 0 | 0 | 0 | 0 | 111.9 | N701 | N701-V703 PolarHBondContact O-N 2.93Å; N701-V703 PolarHBondContact OD1-N 3.27Å |
| 704 | G | 75.4 | Confident | 83.4 | Confident | 51 Ų | 51 | 50.1 Ų | 50.1 | 53% | 0.526 | 28% | 0.284 | S | S | . | . | S | Bend | trans | 81.9 | 13.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | N701 | N701-G704 PolarHBondContact O-N 3.22Å; N701-G704 PolarHBondContact OD1-N 2.9Å |
| 705 | G | 77.8 | Confident | 83.7 | Confident | 18 Ų | 18 | 52.8 Ų | 52.8 | 19% | 0.186 | 30% | 0.297 | C | S | . | . | trans | -71.8 | 162.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.1 | T700 N701 | T700-G705 WeakPolarHBondContact CA-O 3.17Å; N701-G705 PolarHBondContact N-O 3.45Å; N701-G705 WeakPolarHBondContact OD1-CA 3.35Å; N701-G705 PolarHBondContact OD1-N 2.95Å | ||
| 706 | P | 77.2 | Confident | 84.1 | Confident | 83 Ų | 83 | 43.3 Ų | 43.3 | 54% | 0.539 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -81.2 | -19.8 | -172.8 | 32.8 | -36.2 | 0 | 0 | 0 | 114.8 | ||
| 707 | D | 84.1 | Confident | 84.4 | Confident | 42 Ų | 42 | 44 Ų | 44 | 23% | 0.225 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -98.9 | 114.5 | 170.6 | -172.8 | -10.4 | 0 | 0 | 0 | 109 | R691 N701 M709 E710 | R691-D707 IonicContact CZ-OD1 3.87Å; R691-D707 IonicContact CZ-OD2 3.53Å; R691-D707 IonicContact NE-OD1 3.13Å; R691-D707 PolarHBondContact NE-OD1 3.35Å; R691-D707 VanDerWaalsContact NE-OD1 3.13Å; R691-D707 IonicContact NE-OD2 3.49Å; R691-D707 PolarHBondContact NE-OD2 2.98Å; R691-D707 IonicContact NH2-OD1 3.76Å; R691-D707 IonicContact NH2-OD2 2.72Å; R691-D707 PolarHBondContact NH2-OD2 3.27Å; N701-D707 WeakPolarHBondContact CB-O 3.3Å; D707-M709 PolarHBondContact O-N 3.05Å; D707-M709 PolarHBondContact OD1-N 3.37Å; D707-E710 HydrophobicContact CB-CB 4.07Å; D707-E710 PolarHBondContact O-N 2.92Å |
| 708 | P | 82.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -17.1 | -175.1 | 25.2 | -34 | 0 | 0 | 0 | 114.4 | R691 A694 F742 | R691-P708 HydrophobicContact CG-CG 4.22Å; A694-P708 HydrophobicContact CB-CG 4.01Å; P708-F742 HydrophobicContact CB-CD1 3.7Å; P708-F742 HydrophobicContact CB-CD2 4.09Å; P708-F742 HydrophobicContact CB-CE1 3.61Å; P708-F742 HydrophobicContact CB-CE2 4Å; P708-F742 HydrophobicContact CB-CG 3.94Å; P708-F742 HydrophobicContact CB-CZ 3.73Å; P708-F742 HydrophobicContact CG-CE2 4.41Å; P708-F742 HydrophobicContact CG-CZ 4.4Å; P708-F742 WeakPolarHBondContact O-CE1 3.4Å |
| 709 | M | 85.6 | Confident | 84.1 | Confident | 11 Ų | 11 | 39.8 Ų | 39.8 | 5% | 0.054 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -13.6 | 179.4 | -71.1 | -65.5 | -76.6 | 0 | 0 | 114.1 | G667 I687 R691 D707 G711 T712 I714 F742 | G667-M709 VanDerWaalsContact CA-O 3.31Å; G667-M709 WeakPolarHBondContact CA-O 3.47Å; G667-M709 WeakPolarHBondContact O-CE 3.39Å; I687-M709 HydrophobicContact CD1-CG 4.22Å; I687-M709 HydrophobicContact CD1-SD 3.67Å; I687-M709 HydrophobicContact CG1-CE 4.26Å; I687-M709 HydrophobicContact CG1-CG 4.01Å; I687-M709 HydrophobicContact CG1-SD 3.82Å; R691-M709 HydrophobicContact CG-CG 3.98Å; D707-M709 PolarHBondContact O-N 3.05Å; D707-M709 PolarHBondContact OD1-N 3.37Å; M709-G711 PolarHBondContact O-N 3.33Å; M709-T712 PolarHBondContact O-N 3.04Å; M709-I714 HydrophobicContact CE-CD1 4.36Å; M709-I714 HydrophobicContact SD-CD1 3.27Å; M709-I714 WeakPolarHBondContact SD-CD1 3.16Å; M709-I714 HydrophobicContact SD-CG1 3.87Å; M709-F742 HydrophobicContact SD-CZ 4.35Å |
| 710 | E | 85.9 | Confident | 82.7 | Confident | 125 Ų | 125 | 44.5 Ų | 44.5 | 58% | 0.584 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 121 | -177.6 | -172 | 176.3 | -168.9 | 0 | 0 | 110 | N701 D707 T712 | N701-E710 PolarHBondContact ND2-O 3.35Å; D707-E710 HydrophobicContact CB-CB 4.07Å; D707-E710 PolarHBondContact O-N 2.92Å; E710-T712 PolarHBondContact O-N 3.15Å |
| 711 | G | 83.5 | Confident | 81.3 | Confident | 43 Ų | 43 | 43 Ų | 43 | 44% | 0.443 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 9.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G665 M709 | G665-G711 PolarHBondContact N-O 3.18Å; G665-G711 VanDerWaalsContact N-O 3.13Å; G665-G711 CarbonylContact O-C 3Å; G665-G711 WeakPolarHBondContact O-CA 3.31Å; M709-G711 PolarHBondContact O-N 3.33Å |
| 712 | T | 87.6 | Confident | 79.4 | Confident | 2 Ų | 2 | 47.4 Ų | 47.4 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 114.6 | -172.6 | -55 | 0 | 0 | 0 | 0 | 111.3 | R662 M663 G667 L702 M709 E710 | R662-T712 HydrophobicContact CB-CG2 3.71Å; M663-T712 CarbonylContact O-C 3.51Å; M663-T712 WeakPolarHBondContact O-CA 3.43Å; G667-T712 WeakPolarHBondContact CA-O 3.26Å; L702-T712 HydrophobicContact CD1-CG2 4.12Å; L702-T712 HydrophobicContact CG-CG2 4.24Å; M709-T712 PolarHBondContact O-N 3.04Å; E710-T712 PolarHBondContact O-N 3.15Å |
| 713 | D | 91.3 | Very high | 78.6 | Confident | 22 Ų | 22 | 47.3 Ų | 47.3 | 12% | 0.118 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 146.3 | 169.4 | -75.1 | -3.2 | 0 | 0 | 0 | 110.7 | R662 M663 E666 G667 Q668 | R662-D713 CarbonylContact C-O 3.52Å; R662-D713 WeakPolarHBondContact CA-O 3.5Å; M663-D713 HydrophobicContact CE-CB 3.87Å; M663-D713 HydrophobicContact CG-CB 3.74Å; M663-D713 PolarHBondContact N-O 2.79Å; M663-D713 PolarHBondContact O-N 2.99Å; E666-D713 PolarHBondContact N-OD1 2.95Å; G667-D713 PolarHBondContact N-OD1 3.06Å; Q668-D713 PolarHBondContact N-OD1 3.47Å; Q668-D713 WeakPolarHBondContact O-CA 3.47Å |
| 714 | I | 93.4 | Very high | 77.7 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134.4 | -178.8 | -60.6 | -176.2 | 0 | 0 | 0 | 110.3 | S661 Q668 L669 T670 I687 M709 L738 L741 F742 | S661-I714 WeakPolarHBondContact O-CA 3.47Å; Q668-I714 PolarHBondContact O-N 2.98Å; L669-I714 HydrophobicContact CD1-CB 4.09Å; L669-I714 HydrophobicContact CD1-CG2 3.95Å; T670-I714 PolarHBondContact N-O 3.48Å; I687-I714 HydrophobicContact CD1-CD1 3.92Å; M709-I714 HydrophobicContact CE-CD1 4.36Å; M709-I714 HydrophobicContact SD-CD1 3.27Å; M709-I714 WeakPolarHBondContact SD-CD1 3.16Å; M709-I714 HydrophobicContact SD-CG1 3.87Å; I714-L738 HydrophobicContact CD1-CD2 4.21Å; I714-L738 HydrophobicContact CG2-CD2 3.87Å; I714-L741 HydrophobicContact CG2-CD2 4.47Å; I714-F742 HydrophobicContact CD1-CE1 3.57Å; I714-F742 HydrophobicContact CD1-CE2 4.25Å; I714-F742 HydrophobicContact CD1-CZ 3.2Å |
| 715 | H | 93.6 | Very high | 77.4 | Confident | 60 Ų | 60 | 44.9 Ų | 44.9 | 28% | 0.278 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 112.2 | 171.7 | -169.4 | 174.4 | 0 | 0 | 0 | 109.3 | A660 S661 T670 T672 | A660-H715 WeakPolarHBondContact CA-O 3.35Å; S661-H715 PolarHBondContact N-O 3.35Å; S661-H715 PolarHBondContact O-N 2.96Å; T670-H715 CarbonylContact O-C 3.59Å; T670-H715 WeakPolarHBondContact O-CA 3.33Å; T670-H715 PolarHBondContact O-CD2 2.81Å; T672-H715 WeakPolarHBondContact CG2-NE2 3.39Å; T672-H715 PolarHBondContact OG1-NE2 3.47Å |
| 716 | L | 92.5 | Very high | 77 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 122 | 170.9 | -132.4 | 111.2 | 0 | 0 | 0 | 109.7 | V658 E659 A660 T670 L671 T672 F718 M734 L738 | V658-L716 HydrophobicContact CG1-CD2 3.51Å; V658-L716 HydrophobicContact CG1-CG 4.2Å; E659-L716 CarbonylContact O-C 3.45Å; E659-L716 WeakPolarHBondContact O-CA 3.46Å; A660-L716 HydrophobicContact CB-CD1 3.92Å; A660-L716 HydrophobicContact CB-CG 4.26Å; T670-L716 PolarHBondContact O-N 3.35Å; L671-L716 HydrophobicContact CD2-CB 3.61Å; T672-L716 PolarHBondContact N-O 2.76Å; T672-L716 PolarHBondContact OG1-O 3.04Å; L716-F718 HydrophobicContact CB-CE2 4.47Å; L716-F718 HydrophobicContact CD2-CD2 4.28Å; L716-F718 HydrophobicContact CD2-CE1 4.31Å; L716-F718 HydrophobicContact CD2-CE2 3.28Å; L716-F718 HydrophobicContact CD2-CZ 3.3Å; L716-F718 HydrophobicContact CG-CE2 4.4Å; L716-M734 HydrophobicContact CD2-CG 4.12Å; L716-M734 HydrophobicContact CD2-SD 4.43Å; L716-L738 HydrophobicContact CD1-CD1 4.06Å; L716-L738 HydrophobicContact CD1-CD2 3.55Å; L716-L738 HydrophobicContact CD1-CG 3.76Å |
| 717 | H | 90.8 | Very high | 76.9 | Confident | 71 Ų | 71 | 45.8 Ų | 45.8 | 33% | 0.329 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 136.4 | 179.3 | -172.9 | 62.3 | 0 | 0 | 0 | 111 | E659 T672 | E659-H717 HydrophobicContact CB-CB 4.49Å; E659-H717 PolarHBondContact N-O 3.48Å; E659-H717 PolarHBondContact O-N 3.38Å; E659-H717 IonicContact OE2-CD2 2.62Å; T672-H717 PolarHBondContact OG1-ND1 2.96Å |
| 718 | F | 87.8 | Confident | 76.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -117.4 | 93.7 | 173.8 | -64.2 | -98.7 | 0 | 0 | 0 | 108.7 | M656 V658 T672 G673 L675 M679 L716 A720 K725 M734 | M656-F718 HydrophobicContact CG-CD1 4.49Å; M656-F718 HydrophobicContact SD-CD1 3.56Å; M656-F718 VanDerWaalsContact SD-CD1 3.56Å; M656-F718 HydrophobicContact SD-CE1 4.22Å; V658-F718 HydrophobicContact CB-CD1 4.49Å; V658-F718 HydrophobicContact CB-CE1 4.23Å; V658-F718 HydrophobicContact CG1-CD1 4.31Å; V658-F718 HydrophobicContact CG1-CE1 3.79Å; V658-F718 HydrophobicContact CG1-CZ 3.98Å; V658-F718 HydrophobicContact CG2-CD1 3.82Å; V658-F718 HydrophobicContact CG2-CE1 3.51Å; V658-F718 HydrophobicContact CG2-CZ 4.46Å; T672-F718 PolarHBondContact O-N 3.44Å; G673-F718 WeakPolarHBondContact CA-O 3.43Å; L675-F718 HydrophobicContact CD1-CD2 3.55Å; L675-F718 HydrophobicContact CD1-CE2 3.44Å; L675-F718 VanDerWaalsContact CD1-CE2 3.44Å; L675-F718 HydrophobicContact CD1-CZ 4.4Å; L675-F718 HydrophobicContact CD2-CB 4.2Å; L675-F718 HydrophobicContact CD2-CD1 4.37Å; L675-F718 HydrophobicContact CD2-CD2 3.63Å; L675-F718 HydrophobicContact CD2-CE2 3.95Å; L675-F718 HydrophobicContact CD2-CG 3.83Å; L675-F718 HydrophobicContact CD2-CZ 4.46Å; L675-F718 HydrophobicContact CG-CD2 4Å; L675-F718 HydrophobicContact CG-CE2 4.26Å; M679-F718 HydrophobicContact CE-CD1 3.96Å; M679-F718 HydrophobicContact CE-CE1 3.62Å; M679-F718 HydrophobicContact CE-CZ 3.98Å; L716-F718 HydrophobicContact CB-CE2 4.47Å; L716-F718 HydrophobicContact CD2-CD2 4.28Å; L716-F718 HydrophobicContact CD2-CE1 4.31Å; L716-F718 HydrophobicContact CD2-CE2 3.28Å; L716-F718 HydrophobicContact CD2-CZ 3.3Å; L716-F718 HydrophobicContact CG-CE2 4.4Å; F718-A720 PolarHBondContact O-N 2.84Å; F718-K725 HydrophobicContact CB-CD 4.28Å; F718-K725 PolarHBondContact O-NZ 3.5Å; F718-M734 HydrophobicContact CE1-CE 4.1Å; F718-M734 HydrophobicContact CE1-CG 4.44Å; F718-M734 HydrophobicContact CZ-CE 3.64Å; F718-M734 HydrophobicContact CZ-CG 4Å; F718-M734 HydrophobicContact CZ-SD 3.97Å | ||
| 719 | P | 75.9 | Confident | 77 | Confident | 28 Ų | 28 | 46.8 Ų | 46.8 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | trans | -47.6 | 138.7 | -176.7 | -28.9 | 33.2 | 0 | 0 | 0 | 113.5 | F657 E659 G721 K725 | F657-P719 HydrophobicContact CB-CG 4.46Å; F657-P719 WeakPolarHBondContact O-CD 3.42Å; E659-P719 HydrophobicContact CG-CG 4.36Å; E659-P719 WeakPolarHBondContact OE1-CG 3.39Å; P719-G721 PolarHBondContact O-N 2.84Å; P719-K725 PolarHBondContact O-NZ 3.22Å | ||
| 720 | A | 56.9 | Low | 77.2 | Confident | 101 Ų | 101 | 46.8 Ų | 46.8 | 84% | 0.835 | 30% | 0.303 | S | S | * | . | trans | -56.7 | 130.2 | -162.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | F718 | F718-A720 PolarHBondContact O-N 2.84Š| ||
| 721 | G | 54.1 | Low | 77.4 | Confident | 25 Ų | 25 | 40.8 Ų | 40.8 | 26% | 0.258 | 28% | 0.275 | S | S | . | . | trans | -116.5 | 147 | 141.2 | 0 | 0 | 0 | 0 | 0 | 106.6 | P719 V723 | P719-G721 PolarHBondContact O-N 2.84Å; G721-V723 PolarHBondContact O-N 3.42Å | ||
| 722 | A | 41.6 | Very low | 77.9 | Confident | 106 Ų | 106 | 38.9 Ų | 38.9 | 88% | 0.876 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -65.6 | 9.7 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 723 | V | 57.5 | Low | 78.2 | Confident | 70 Ų | 70 | 38.8 Ų | 38.8 | 42% | 0.424 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -113.3 | 127.4 | -175.1 | -174.7 | 0 | 0 | 0 | 0 | 107.8 | G721 K725 | G721-V723 PolarHBondContact O-N 3.42Å; V723-K725 PolarHBondContact O-N 3.27Å |
| 724 | T | 56.7 | Low | 78.4 | Confident | 102 Ų | 102 | 37.8 Ų | 37.8 | 63% | 0.626 | 25% | 0.249 | S | C | * | . | trans | -57 | 122.4 | 175 | 47.1 | 0 | 0 | 0 | 0 | 110.1 | D726 | T724-D726 PolarHBondContact O-N 2.99Š| ||
| 725 | K | 70.6 | Confident | 78.5 | Confident | 31 Ų | 31 | 37.8 Ų | 37.8 | 14% | 0.135 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -89.8 | 100.7 | 179.3 | -64.6 | 165.4 | 175.9 | -178.3 | 0 | 107.5 | M656 Q674 L675 G676 M679 F718 P719 V723 | M656-K725 HydrophobicContact CE-CB 4.15Å; M656-K725 HydrophobicContact CE-CD 3.4Å; M656-K725 VanDerWaalsContact CE-CD 3.4Å; M656-K725 HydrophobicContact CE-CG 3.62Å; M656-K725 HydrophobicContact SD-CD 3.74Å; Q674-K725 PolarHBondContact O-N 2.85Å; L675-K725 HydrophobicContact CD2-CB 4.28Å; G676-K725 PolarHBondContact N-O 3.11Å; G676-K725 VanDerWaalsContact N-O 3.13Å; M679-K725 HydrophobicContact CE-CB 4.14Å; M679-K725 WeakPolarHBondContact CG-O 3.47Å; F718-K725 HydrophobicContact CB-CD 4.28Å; F718-K725 PolarHBondContact O-NZ 3.5Å; P719-K725 PolarHBondContact O-NZ 3.22Å; V723-K725 PolarHBondContact O-N 3.27Å |
| 726 | D | 68.3 | Low | 78.5 | Confident | 100 Ų | 100 | 34.9 Ų | 34.9 | 54% | 0.535 | 24% | 0.236 | S | C | . | . | trans | -132.3 | 125.3 | -179.7 | -158.6 | 17 | 0 | 0 | 0 | 110.1 | G676 V678 T724 | G676-D726 WeakPolarHBondContact CA-OD1 3.32Å; V678-D726 WeakPolarHBondContact CB-OD1 3.36Å; V678-D726 PolarHBondContact N-OD1 3.22Å; T724-D726 PolarHBondContact O-N 2.99Å | ||
| 727 | G | 75.9 | Confident | 78.6 | Confident | 21 Ų | 21 | 34.9 Ų | 34.9 | 22% | 0.216 | 24% | 0.235 | C | C | . | . | trans | 146.5 | 142.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | M679 S729 | M679-G727 WeakPolarHBondContact CG-O 3.47Å; M679-G727 VanDerWaalsContact SD-O 3.36Å; G727-S729 PolarHBondContact O-N 3.39Å; G727-S729 VanDerWaalsContact O-N 3.15Å | ||
| 728 | P | 83.7 | Confident | 78.7 | Confident | 38 Ų | 38 | 31.6 Ų | 31.6 | 25% | 0.247 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -77.1 | -2.7 | -171.5 | 32.6 | -36.2 | 0 | 0 | 0 | 114 | V678 A730 G731 E756 | V678-P728 HydrophobicContact CG1-CB 4.03Å; V678-P728 HydrophobicContact CG1-CG 4.3Å; P728-A730 PolarHBondContact O-N 2.8Å; P728-G731 PolarHBondContact O-N 3.36Å; P728-E756 HydrophobicContact CB-CB 4.18Å; P728-E756 HydrophobicContact CB-CG 3.88Å; P728-E756 HydrophobicContact CG-CB 4.38Å; P728-E756 HydrophobicContact CG-CG 4.26Å; P728-E756 WeakPolarHBondContact CG-OE2 3.41Å |
| 729 | S | 84.6 | Confident | 78.9 | Confident | 25 Ų | 25 | 31.6 Ų | 31.6 | 18% | 0.175 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -71.3 | -2.6 | -168.7 | 69.2 | 0 | 0 | 0 | 0 | 116.2 | G727 T754 G755 K772 | G727-S729 PolarHBondContact O-N 3.39Å; G727-S729 VanDerWaalsContact O-N 3.15Å; S729-T754 PolarHBondContact O-OG1 3.22Å; S729-T754 VanDerWaalsContact O-OG1 3.09Å; S729-G755 CarbonylContact C-O 3.59Å; S729-G755 PolarHBondContact O-N 2.92Å; S729-K772 PolarHBondContact OG-NZ 2.94Å |
| 730 | A | 88.4 | Confident | 79.7 | Confident | 10 Ų | 10 | 30.2 Ų | 30.2 | 8% | 0.083 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -97.3 | 3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | M679 P728 V732 T733 M734 | M679-A730 HydrophobicContact CE-CB 4.32Å; M679-A730 HydrophobicContact SD-CB 3.8Å; P728-A730 PolarHBondContact O-N 2.8Å; A730-V732 PolarHBondContact O-N 3.03Å; A730-T733 WeakPolarHBondContact O-CB 3.46Å; A730-T733 PolarHBondContact O-N 3.08Å; A730-M734 HydrophobicContact CB-CE 3.83Å; A730-M734 WeakPolarHBondContact O-CG 3.3Å; A730-M734 PolarHBondContact O-N 2.66Å |
| 731 | G | 91.2 | Very high | 81.4 | Confident | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.1 | -46.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | P728 T733 M734 V735 G755 I757 | P728-G731 PolarHBondContact O-N 3.36Å; G731-T733 VanDerWaalsContact C-N 3.28Å; G731-T733 PolarHBondContact O-N 2.88Å; G731-M734 PolarHBondContact O-N 2.97Å; G731-V735 WeakPolarHBondContact O-CG2 3.31Å; G731-V735 PolarHBondContact O-N 3.3Å; G731-G755 PolarHBondContact N-O 3.32Å; G731-I757 VanDerWaalsContact C-CG2 3.49Å |
| 732 | V | 94.5 | Very high | 83.1 | Confident | 2 Ų | 2 | 25 Ų | 25 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.2 | -34.4 | 177.5 | -64.3 | 0 | 0 | 0 | 0 | 112.7 | A730 T736 M753 T754 G755 I757 V763 L813 V816 | A730-V732 PolarHBondContact O-N 3.03Å; V732-T736 PolarHBondContact O-N 3.09Å; V732-T736 VanDerWaalsContact O-N 3.08Å; V732-T736 PolarHBondContact O-OG1 3.08Å; V732-M753 HydrophobicContact CG2-CB 4.17Å; V732-M753 HydrophobicContact CG2-CG 4.03Å; V732-T754 VanDerWaalsContact CG2-C 3.41Å; V732-G755 PolarHBondContact N-O 2.89Å; V732-I757 HydrophobicContact CB-CG2 4.39Å; V732-I757 HydrophobicContact CG1-CG2 3.6Å; V732-V763 HydrophobicContact CG1-CG1 3.93Å; V732-V763 HydrophobicContact CG1-CG2 3.96Å; V732-L813 HydrophobicContact CG1-CD2 4.02Å; V732-V816 HydrophobicContact CB-CG1 4.18Å; V732-V816 HydrophobicContact CB-CG2 4.4Å; V732-V816 HydrophobicContact CG1-CG2 4.12Å |
| 733 | T | 93.8 | Very high | 85.3 | Confident | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.1 | -43.2 | 177 | -44.8 | 0 | 0 | 0 | 0 | 111 | A643 G645 V658 A730 G731 T736 C737 M753 | A643-T733 HydrophobicContact CB-CG2 3.94Å; G645-T733 WeakPolarHBondContact CA-OG1 3.49Å; V658-T733 HydrophobicContact CB-CG2 4.12Å; V658-T733 HydrophobicContact CG2-CG2 3.53Å; A730-T733 WeakPolarHBondContact O-CB 3.46Å; A730-T733 PolarHBondContact O-N 3.08Å; G731-T733 VanDerWaalsContact C-N 3.28Å; G731-T733 PolarHBondContact O-N 2.88Å; T733-T736 PolarHBondContact O-N 2.99Å; T733-C737 VanDerWaalsContact O-CB 3.25Å; T733-C737 WeakPolarHBondContact O-CB 3.39Å; T733-C737 PolarHBondContact O-N 3.24Å; T733-M753 HydrophobicContact CG2-CG 4.33Å; T733-M753 WeakPolarHBondContact OG1-CG 3.31Å |
| 734 | M | 94.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.9 | -42.7 | 177.3 | -62.5 | -177.9 | -150.6 | 0 | 0 | 111.6 | V658 M679 A683 A686 L716 F718 A730 G731 T736 C737 L738 | V658-M734 HydrophobicContact CG1-CG 4.46Å; M679-M734 HydrophobicContact CE-CE 3.97Å; M679-M734 HydrophobicContact SD-CE 3.41Å; M679-M734 WeakPolarHBondContact SD-CE 3.31Å; A683-M734 VanDerWaalsContact CA-SD 3.54Å; A683-M734 HydrophobicContact CB-SD 3.67Å; A686-M734 HydrophobicContact CB-CB 4.04Å; L716-M734 HydrophobicContact CD2-CG 4.12Å; L716-M734 HydrophobicContact CD2-SD 4.43Å; F718-M734 HydrophobicContact CE1-CE 4.1Å; F718-M734 HydrophobicContact CE1-CG 4.44Å; F718-M734 HydrophobicContact CZ-CE 3.64Å; F718-M734 HydrophobicContact CZ-CG 4Å; F718-M734 HydrophobicContact CZ-SD 3.97Å; A730-M734 HydrophobicContact CB-CE 3.83Å; A730-M734 WeakPolarHBondContact O-CG 3.3Å; A730-M734 PolarHBondContact O-N 2.66Å; G731-M734 PolarHBondContact O-N 2.97Å; M734-T736 VanDerWaalsContact C-N 3.35Å; M734-T736 PolarHBondContact O-N 2.87Å; M734-C737 PolarHBondContact O-N 3.44Å; M734-L738 WeakPolarHBondContact O-CB 3.45Å; M734-L738 WeakPolarHBondContact O-CG 3.42Å; M734-L738 PolarHBondContact O-N 3.38Å |
| 735 | V | 95 | Very high | 88.2 | Confident | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.7 | -46.7 | 175.7 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | A686 W689 L690 G731 L738 A739 I757 L813 L817 | A686-V735 HydrophobicContact CB-CG2 3.63Å; W689-V735 HydrophobicContact CE3-CG1 4.08Å; W689-V735 HydrophobicContact CZ3-CG1 3.91Å; L690-V735 HydrophobicContact CD2-CG1 4.12Å; L690-V735 HydrophobicContact CG-CG1 4.37Å; G731-V735 WeakPolarHBondContact O-CG2 3.31Å; G731-V735 PolarHBondContact O-N 3.3Å; V735-L738 PolarHBondContact O-N 3.05Å; V735-A739 WeakPolarHBondContact O-CB 3.48Å; V735-A739 PolarHBondContact O-N 2.84Å; V735-I757 HydrophobicContact CG2-CD1 3.65Å; V735-L813 HydrophobicContact CB-CD2 4.28Å; V735-L813 HydrophobicContact CG1-CD1 4.23Å; V735-L813 HydrophobicContact CG1-CD2 4.16Å; V735-L813 HydrophobicContact CG2-CD1 4.08Å; V735-L813 HydrophobicContact CG2-CD2 4.24Å; V735-L817 HydrophobicContact CG1-CD2 4.45Å |
| 736 | T | 94.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.2 | -41.3 | -178.4 | -54.3 | 0 | 0 | 0 | 0 | 112.1 | V732 T733 M734 A739 S740 V747 M753 F821 | V732-T736 PolarHBondContact O-N 3.09Å; V732-T736 VanDerWaalsContact O-N 3.08Å; V732-T736 PolarHBondContact O-OG1 3.08Å; T733-T736 PolarHBondContact O-N 2.99Å; M734-T736 VanDerWaalsContact C-N 3.35Å; M734-T736 PolarHBondContact O-N 2.87Å; T736-A739 PolarHBondContact O-N 3.21Å; T736-S740 WeakPolarHBondContact O-CB 3.39Å; T736-S740 PolarHBondContact O-N 3.21Å; T736-V747 HydrophobicContact CG2-CG1 4.19Å; T736-V747 HydrophobicContact CG2-CG2 3.95Å; T736-M753 HydrophobicContact CG2-CE 4Å; T736-M753 HydrophobicContact CG2-SD 4.25Å; T736-M753 PolarHBondContact OG1-SD 2.96Å; T736-M753 VanDerWaalsContact OG1-SD 3.35Å; T736-F821 HydrophobicContact CG2-CE2 3.95Å; T736-F821 HydrophobicContact CG2-CZ 4.15Å |
| 737 | C | 93.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.2 | -50.6 | 174.1 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | G641 A643 V658 A660 T733 M734 S740 L741 | G641-C737 PolarHBondContact O-SG 3.21Å; A643-C737 HydrophobicContact CB-CB 3.8Å; V658-C737 HydrophobicContact CB-CB 4.37Å; V658-C737 HydrophobicContact CG1-CB 4.11Å; V658-C737 PolarHBondContact O-SG 2.88Å; A660-C737 WeakPolarHBondContact CB-SG 3.24Å; T733-C737 VanDerWaalsContact O-CB 3.25Å; T733-C737 WeakPolarHBondContact O-CB 3.39Å; T733-C737 PolarHBondContact O-N 3.24Å; M734-C737 PolarHBondContact O-N 3.44Å; C737-S740 WeakPolarHBondContact O-CB 3.25Å; C737-S740 PolarHBondContact O-N 3.38Å; C737-L741 PolarHBondContact O-N 3.42Å |
| 738 | L | 93.1 | Very high | 90.8 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -67.7 | -39 | 178.8 | -72.5 | 170.2 | 0 | 0 | 0 | 112.3 | A660 A686 I687 L690 I714 L716 M734 V735 S740 L741 F742 | A660-L738 HydrophobicContact CB-CD2 4.15Å; A686-L738 HydrophobicContact CB-CD1 4.31Å; I687-L738 HydrophobicContact CD1-CD1 3.94Å; I687-L738 HydrophobicContact CD1-CD2 4.36Å; L690-L738 HydrophobicContact CD1-CB 3.27Å; L690-L738 HydrophobicContact CD1-CD1 3.94Å; L690-L738 HydrophobicContact CD1-CG 4.26Å; I714-L738 HydrophobicContact CD1-CD2 4.21Å; I714-L738 HydrophobicContact CG2-CD2 3.87Å; L716-L738 HydrophobicContact CD1-CD1 4.06Å; L716-L738 HydrophobicContact CD1-CD2 3.55Å; L716-L738 HydrophobicContact CD1-CG 3.76Å; M734-L738 WeakPolarHBondContact O-CB 3.45Å; M734-L738 WeakPolarHBondContact O-CG 3.42Å; M734-L738 PolarHBondContact O-N 3.38Å; V735-L738 PolarHBondContact O-N 3.05Å; L738-S740 VanDerWaalsContact C-N 3.32Å; L738-S740 PolarHBondContact O-N 3.45Å; L738-L741 WeakPolarHBondContact O-CB 3.23Å; L738-L741 PolarHBondContact O-N 2.95Å; L738-F742 HydrophobicContact CB-CE2 4.26Å; L738-F742 WeakPolarHBondContact O-CD2 3.42Å; L738-F742 WeakPolarHBondContact O-CG 3.33Å; L738-F742 PolarHBondContact O-N 3.04Å |
| 739 | A | 92.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L690 V735 T736 S743 L817 F825 | L690-A739 HydrophobicContact CD2-CB 4.15Å; V735-A739 WeakPolarHBondContact O-CB 3.48Å; V735-A739 PolarHBondContact O-N 2.84Å; T736-A739 PolarHBondContact O-N 3.21Å; A739-S743 VanDerWaalsContact O-CB 3.25Å; A739-S743 WeakPolarHBondContact O-CB 3.36Å; A739-S743 PolarHBondContact O-N 3.27Å; A739-S743 PolarHBondContact O-OG 3.43Å; A739-L817 HydrophobicContact CB-CD2 3.74Å; A739-F825 HydrophobicContact CB-CZ 4.15Å |
| 740 | S | 92.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.8 | -46.5 | 172.1 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | G641 T736 C737 L738 F742 S743 G744 R745 | G641-S740 PolarHBondContact N-OG 2.93Å; T736-S740 WeakPolarHBondContact O-CB 3.39Å; T736-S740 PolarHBondContact O-N 3.21Å; C737-S740 WeakPolarHBondContact O-CB 3.25Å; C737-S740 PolarHBondContact O-N 3.38Å; L738-S740 VanDerWaalsContact C-N 3.32Å; L738-S740 PolarHBondContact O-N 3.45Å; S740-F742 PolarHBondContact O-N 3.01Å; S740-S743 PolarHBondContact O-OG 3.41Å; S740-G744 WeakPolarHBondContact O-CA 3.43Å; S740-G744 PolarHBondContact O-N 3.46Å; S740-R745 WeakPolarHBondContact CB-O 3.41Å; S740-R745 PolarHBondContact O-N 3.06Å; S740-R745 PolarHBondContact OG-O 3.08Å |
| 741 | L | 92 | Very high | 90.9 | Very high | 14 Ų | 14 | 22 Ų | 22 | 7% | 0.073 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.6 | -46.5 | 179.2 | -177.6 | 63.9 | 0 | 0 | 0 | 112.7 | A660 R662 I714 C737 L738 | A660-L741 HydrophobicContact CB-CD2 3.73Å; A660-L741 WeakPolarHBondContact O-CD1 3.35Å; R662-L741 HydrophobicContact CB-CD1 4.48Å; R662-L741 HydrophobicContact CB-CD2 4.06Å; R662-L741 HydrophobicContact CB-CG 4.4Å; R662-L741 HydrophobicContact CG-CD1 4.04Å; R662-L741 HydrophobicContact CG-CD2 4.48Å; R662-L741 HydrophobicContact CG-CG 4.29Å; R662-L741 PolarHBondContact NH1-O 3.44Å; I714-L741 HydrophobicContact CG2-CD2 4.47Å; C737-L741 PolarHBondContact O-N 3.42Å; L738-L741 WeakPolarHBondContact O-CB 3.23Å; L738-L741 PolarHBondContact O-N 2.95Å |
| 742 | F | 90.3 | Very high | 90.9 | Very high | 3 Ų | 3 | 22 Ų | 22 | 1% | 0.013 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -74.5 | -35.2 | -178.1 | -65.8 | -53 | 0 | 0 | 0 | 113.4 | I687 L690 L699 P708 M709 I714 L738 S740 | I687-F742 HydrophobicContact CD1-CE2 4Å; I687-F742 HydrophobicContact CD1-CZ 3.94Å; L690-F742 HydrophobicContact CD1-CE2 4.43Å; L699-F742 HydrophobicContact CB-CB 4.05Å; L699-F742 HydrophobicContact CD2-CB 4.15Å; P708-F742 HydrophobicContact CB-CD1 3.7Å; P708-F742 HydrophobicContact CB-CD2 4.09Å; P708-F742 HydrophobicContact CB-CE1 3.61Å; P708-F742 HydrophobicContact CB-CE2 4Å; P708-F742 HydrophobicContact CB-CG 3.94Å; P708-F742 HydrophobicContact CB-CZ 3.73Å; P708-F742 HydrophobicContact CG-CE2 4.41Å; P708-F742 HydrophobicContact CG-CZ 4.4Å; P708-F742 WeakPolarHBondContact O-CE1 3.4Å; M709-F742 HydrophobicContact SD-CZ 4.35Å; I714-F742 HydrophobicContact CD1-CE1 3.57Å; I714-F742 HydrophobicContact CD1-CE2 4.25Å; I714-F742 HydrophobicContact CD1-CZ 3.2Å; L738-F742 HydrophobicContact CB-CE2 4.26Å; L738-F742 WeakPolarHBondContact O-CD2 3.42Å; L738-F742 WeakPolarHBondContact O-CG 3.33Å; L738-F742 PolarHBondContact O-N 3.04Å; S740-F742 PolarHBondContact O-N 3.01Å |
| 743 | S | 88.1 | Confident | 91 | Very high | 35 Ų | 35 | 21.9 Ų | 21.9 | 25% | 0.245 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -84.5 | -15.6 | 179.5 | 65.3 | 0 | 0 | 0 | 0 | 113.8 | A739 S740 R745 | A739-S743 VanDerWaalsContact O-CB 3.25Å; A739-S743 WeakPolarHBondContact O-CB 3.36Å; A739-S743 PolarHBondContact O-N 3.27Å; A739-S743 PolarHBondContact O-OG 3.43Å; S740-S743 PolarHBondContact O-OG 3.41Å; S743-R745 PolarHBondContact O-N 2.85Å; S743-R745 WeakPolarHBondContact OG-CB 3.41Å; S743-R745 PolarHBondContact OG-N 2.88Å |
| 744 | G | 86.8 | Confident | 91 | Very high | 45 Ų | 45 | 21.9 Ų | 21.9 | 46% | 0.464 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.1 | 10.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114 | S740 | S740-G744 WeakPolarHBondContact O-CA 3.43Å; S740-G744 PolarHBondContact O-N 3.46Å |
| 745 | R | 88.8 | Confident | 90.9 | Very high | 102 Ų | 102 | 21.9 Ų | 21.9 | 39% | 0.385 | 12% | 0.124 | S | C | . | . | P | Polyproline II helix | trans | -87.9 | 142.1 | -179.2 | -65.7 | 178.7 | 173.1 | -135.1 | -2.4 | 111 | S740 S743 F821 | S740-R745 WeakPolarHBondContact CB-O 3.41Å; S740-R745 PolarHBondContact O-N 3.06Å; S740-R745 PolarHBondContact OG-O 3.08Å; S743-R745 PolarHBondContact O-N 2.85Å; S743-R745 WeakPolarHBondContact OG-CB 3.41Å; S743-R745 PolarHBondContact OG-N 2.88Å; R745-F821 HydrophobicContact CB-CD1 3.8Å; R745-F821 HydrophobicContact CB-CE1 3.79Å |
| 746 | L | 89.9 | Confident | 90.8 | Very high | 89 Ų | 89 | 25 Ų | 25 | 47% | 0.466 | 14% | 0.138 | S | C | . | . | P | Polyproline II helix | trans | -78.1 | 134.6 | 176 | -61.8 | 176.6 | 0 | 0 | 0 | 110.8 | T638 L639 P640 F821 | T638-L746 WeakPolarHBondContact O-CD2 3.36Å; L639-L746 VanDerWaalsContact C-CD2 3.49Å; P640-L746 HydrophobicContact CB-CD2 4.49Å; P640-L746 HydrophobicContact CG-CD2 3.79Å; L746-F821 VanDerWaalsContact O-CD1 3.23Å; L746-F821 WeakPolarHBondContact O-CD1 3.46Å |
| 747 | V | 90.4 | Very high | 90.8 | Very high | 5 Ų | 5 | 25.2 Ų | 25.2 | 3% | 0.03 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -73.2 | 141 | 168.2 | -176.3 | 0 | 0 | 0 | 0 | 108 | V642 A643 T736 S749 F821 | V642-V747 WeakPolarHBondContact O-CG2 3.47Å; A643-V747 HydrophobicContact CB-CG2 4.41Å; T736-V747 HydrophobicContact CG2-CG1 4.19Å; T736-V747 HydrophobicContact CG2-CG2 3.95Å; V747-S749 PolarHBondContact O-N 3.4Å; V747-F821 HydrophobicContact CG2-CE1 4.01Å; V747-F821 HydrophobicContact CG2-CZ 4.06Å |
| 748 | R | 87.5 | Confident | 90.8 | Very high | 56 Ų | 56 | 27 Ų | 27 | 21% | 0.211 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 132.9 | 176.5 | -74.8 | 179.8 | 63.9 | 114.9 | -2.9 | 111.4 | D750 V751 S820 D822 | R748-D750 WeakPolarHBondContact CB-OD1 3.24Å; R748-D750 IonicContact CZ-OD1 2.69Å; R748-D750 IonicContact CZ-OD2 2.67Å; R748-D750 IonicContact NE-OD1 3.17Å; R748-D750 PolarHBondContact NE-OD1 3.31Å; R748-D750 IonicContact NE-OD2 3.26Å; R748-D750 IonicContact NH2-OD1 3.57Å; R748-D750 PolarHBondContact NH2-OD1 2.58Å; R748-D750 IonicContact NH2-OD2 3.19Å; R748-D750 PolarHBondContact NH2-OD2 3.47Å; R748-D750 PolarHBondContact O-N 3.36Å; R748-V751 HydrophobicContact CB-CB 4.26Å; R748-V751 HydrophobicContact CB-CG2 3.59Å; R748-V751 HydrophobicContact CG-CG2 4.42Å; R748-V751 PolarHBondContact O-N 2.66Å; R748-S820 WeakPolarHBondContact CB-O 3.43Å; R748-S820 WeakPolarHBondContact CG-O 3.48Å; R748-S820 PolarHBondContact N-O 3.33Å; R748-D822 VanDerWaalsContact CD-OD1 3.3Å; R748-D822 WeakPolarHBondContact CD-OD1 3.42Å; R748-D822 VanDerWaalsContact CG-OD1 3.32Å; R748-D822 WeakPolarHBondContact CG-OD1 3.47Å; R748-D822 IonicContact CZ-OD1 3.79Å; R748-D822 IonicContact NE-OD1 3.9Å; R748-D822 IonicContact NH1-OD1 2.79Å; R748-D822 PolarHBondContact NH1-OD1 3.23Å |
| 749 | S | 83.6 | Confident | 90.6 | Very high | 68 Ų | 68 | 32.4 Ų | 32.4 | 48% | 0.476 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -16.7 | -177.8 | 60.9 | 0 | 0 | 0 | 0 | 113.9 | V747 | V747-S749 PolarHBondContact O-N 3.4Š|
| 750 | D | 85.8 | Confident | 90.4 | Very high | 39 Ų | 39 | 43.1 Ų | 43.1 | 21% | 0.209 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 11.7 | -176.9 | 70.7 | -25.9 | 0 | 0 | 0 | 113.8 | R748 V781 K782 R783 | R748-D750 WeakPolarHBondContact CB-OD1 3.24Å; R748-D750 IonicContact CZ-OD1 2.69Å; R748-D750 IonicContact CZ-OD2 2.67Å; R748-D750 IonicContact NE-OD1 3.17Å; R748-D750 PolarHBondContact NE-OD1 3.31Å; R748-D750 IonicContact NE-OD2 3.26Å; R748-D750 IonicContact NH2-OD1 3.57Å; R748-D750 PolarHBondContact NH2-OD1 2.58Å; R748-D750 IonicContact NH2-OD2 3.19Å; R748-D750 PolarHBondContact NH2-OD2 3.47Å; R748-D750 PolarHBondContact O-N 3.36Å; D750-V781 WeakPolarHBondContact O-CG1 3.16Å; D750-K782 HydrophobicContact CB-CB 4.29Å; D750-K782 PolarHBondContact O-N 2.9Å; D750-R783 PolarHBondContact O-N 3.38Å |
| 751 | V | 90.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.2 | -176.1 | -180 | 0 | 0 | 0 | 0 | 111.5 | R748 M753 R783 V785 | R748-V751 HydrophobicContact CB-CB 4.26Å; R748-V751 HydrophobicContact CB-CG2 3.59Å; R748-V751 HydrophobicContact CG-CG2 4.42Å; R748-V751 PolarHBondContact O-N 2.66Å; V751-M753 HydrophobicContact CG1-CE 4.04Å; V751-R783 WeakPolarHBondContact CA-O 3.33Å; V751-R783 HydrophobicContact CG2-CB 4.13Å; V751-R783 HydrophobicContact CG2-CG 4.25Å; V751-V785 HydrophobicContact CG1-CG2 3.88Å |
| 752 | A | 91.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 151.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L644 L646 A776 V781 R783 V784 V785 | L644-A752 HydrophobicContact CD2-CB 3.94Å; L644-A752 HydrophobicContact CG-CB 4.16Å; L646-A752 HydrophobicContact CD1-CB 4.15Å; L646-A752 HydrophobicContact CD2-CB 3.76Å; L646-A752 HydrophobicContact CG-CB 3.88Å; A752-A776 HydrophobicContact CB-CB 4.38Å; A752-V781 HydrophobicContact CB-CB 4.48Å; A752-V781 HydrophobicContact CB-CG1 3.76Å; A752-V781 HydrophobicContact CB-CG2 4.2Å; A752-R783 PolarHBondContact N-O 3.01Å; A752-V784 CarbonylContact O-C 3.6Å; A752-V784 WeakPolarHBondContact O-CA 3.44Å; A752-V785 PolarHBondContact O-N 3.06Å |
| 753 | M | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 153.6 | -175.5 | 63.7 | -164.9 | 72.5 | 0 | 0 | 113.6 | L644 G645 L646 V732 T733 T736 V751 V785 V816 S820 | L644-M753 PolarHBondContact O-N 2.88Å; G645-M753 CarbonylContact C-O 3.59Å; G645-M753 WeakPolarHBondContact CA-O 3.36Å; L646-M753 PolarHBondContact N-O 3.49Å; V732-M753 HydrophobicContact CG2-CB 4.17Å; V732-M753 HydrophobicContact CG2-CG 4.03Å; T733-M753 HydrophobicContact CG2-CG 4.33Å; T733-M753 WeakPolarHBondContact OG1-CG 3.31Å; T736-M753 HydrophobicContact CG2-CE 4Å; T736-M753 HydrophobicContact CG2-SD 4.25Å; T736-M753 PolarHBondContact OG1-SD 2.96Å; T736-M753 VanDerWaalsContact OG1-SD 3.35Å; V751-M753 HydrophobicContact CG1-CE 4.04Å; M753-V785 WeakPolarHBondContact CA-O 3.5Å; M753-V785 HydrophobicContact CB-CB 3.85Å; M753-V785 HydrophobicContact CB-CG2 4.43Å; M753-V816 HydrophobicContact SD-CG1 4.12Å; M753-S820 WeakPolarHBondContact CE-OG 3.44Å |
| 754 | T | 93.8 | Very high | 90.7 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | trans | -149.5 | 147.1 | 169 | -170.8 | 0 | 0 | 0 | 0 | 110 | S729 V732 V766 I769 K772 V785 L786 P787 | S729-T754 PolarHBondContact O-OG1 3.22Å; S729-T754 VanDerWaalsContact O-OG1 3.09Å; V732-T754 VanDerWaalsContact CG2-C 3.41Å; T754-V766 HydrophobicContact CG2-CG2 3.81Å; T754-I769 HydrophobicContact CG2-CD1 4.46Å; T754-K772 HydrophobicContact CG2-CD 3.98Å; T754-K772 PolarHBondContact OG1-NZ 2.96Å; T754-V785 PolarHBondContact N-O 3.42Å; T754-L786 HydrophobicContact CG2-CD2 3.56Å; T754-P787 WeakPolarHBondContact O-CD 3.42Å | ||
| 755 | G | 93 | Very high | 91 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | 163.1 | 139.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S729 G731 V732 | S729-G755 CarbonylContact C-O 3.59Å; S729-G755 PolarHBondContact O-N 2.92Å; G731-G755 PolarHBondContact N-O 3.32Å; V732-G755 PolarHBondContact N-O 2.89Å | ||
| 756 | E | 93.5 | Very high | 91.1 | Very high | 65 Ų | 65 | 44.2 Ų | 44.2 | 30% | 0.304 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 150.5 | 168.3 | 168.7 | 177 | 170.8 | 0 | 0 | 109.6 | P728 V763 L764 V766 | P728-E756 HydrophobicContact CB-CB 4.18Å; P728-E756 HydrophobicContact CB-CG 3.88Å; P728-E756 HydrophobicContact CG-CB 4.38Å; P728-E756 HydrophobicContact CG-CG 4.26Å; P728-E756 WeakPolarHBondContact CG-OE2 3.41Å; E756-V763 CarbonylContact O-C 3.59Å; E756-V763 WeakPolarHBondContact O-CA 3.28Å; E756-L764 HydrophobicContact CB-CB 3.98Å; E756-L764 HydrophobicContact CG-CB 4.08Å; E756-L764 HydrophobicContact CG-CD1 4.13Å; E756-L764 PolarHBondContact N-O 3.48Å; E756-L764 PolarHBondContact O-N 3.45Å; E756-V766 HydrophobicContact CB-CG1 4.31Å |
| 757 | I | 94.5 | Very high | 90.9 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 154.7 | -175.6 | 65.7 | 173.8 | 0 | 0 | 0 | 110.9 | L685 A686 G731 V732 V735 L813 | L685-I757 HydrophobicContact CB-CD1 4.29Å; L685-I757 HydrophobicContact CB-CG1 4.44Å; A686-I757 HydrophobicContact CB-CD1 3.8Å; G731-I757 VanDerWaalsContact C-CG2 3.49Å; V732-I757 HydrophobicContact CB-CG2 4.39Å; V732-I757 HydrophobicContact CG1-CG2 3.6Å; V735-I757 HydrophobicContact CG2-CD1 3.65Å; I757-L813 HydrophobicContact CG2-CD1 4.48Å; I757-L813 HydrophobicContact CG2-CD2 3.75Å; I757-L813 HydrophobicContact CG2-CG 4.46Å |
| 758 | T | 92.6 | Very high | 90.6 | Very high | 38 Ų | 38 | 43.7 Ų | 43.7 | 23% | 0.233 | 24% | 0.24 | C | C | . | . | trans | -117.9 | 163 | 172.1 | 61 | 0 | 0 | 0 | 0 | 110.4 | R760 G761 L762 L764 | T758-R760 PolarHBondContact O-N 3.47Å; T758-G761 PolarHBondContact O-N 3.43Å; T758-L762 PolarHBondContact N-O 3.44Å; T758-L762 WeakPolarHBondContact OG1-CB 3.29Å; T758-L762 PolarHBondContact OG1-N 2.84Å; T758-L762 VanDerWaalsContact OG1-N 3.12Å; T758-L762 PolarHBondContact OG1-O 2.96Å; T758-L764 HydrophobicContact CG2-CD1 3.62Å; T758-L764 HydrophobicContact CG2-CD2 4.42Å; T758-L764 HydrophobicContact CG2-CG 3.93Å | ||
| 759 | L | 88.9 | Confident | 90.7 | Very high | 114 Ų | 114 | 41.3 Ų | 41.3 | 60% | 0.597 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -18 | 171.8 | -72 | 175.6 | 0 | 0 | 0 | 114 | L685 | L685-L759 HydrophobicContact CD2-CD1 4.29Å; L685-L759 HydrophobicContact CD2-CD2 3.44Å; L685-L759 VanDerWaalsContact CD2-CD2 3.44Å; L685-L759 HydrophobicContact CD2-CG 3.52Å |
| 760 | R | 88.9 | Confident | 90.7 | Very high | 225 Ų | 225 | 39.9 Ų | 39.9 | 85% | 0.849 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -2.4 | 177 | -63.1 | -172.7 | -178.7 | -159.2 | 0.9 | 113.3 | T758 | T758-R760 PolarHBondContact O-N 3.47Š|
| 761 | G | 87.9 | Confident | 90.5 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | trans | 77.4 | 17.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | W689 T758 N812 L813 | W689-G761 VanDerWaalsContact NE1-CA 3.3Å; T758-G761 PolarHBondContact O-N 3.43Å; G761-N812 CarbonylContact O-C 3.58Å; G761-N812 WeakPolarHBondContact O-CA 3.42Å; G761-N812 WeakPolarHBondContact O-CB 3.43Å; G761-L813 PolarHBondContact O-N 3.45Å | ||
| 762 | L | 94.3 | Very high | 90.4 | Very high | 92 Ų | 92 | 40 Ų | 40 | 48% | 0.482 | 22% | 0.217 | S | C | . | . | B | Isolated β-bridge | trans | -76.9 | 141.5 | 168.7 | -63 | 172.9 | 0 | 0 | 0 | 110.4 | T758 | T758-L762 PolarHBondContact N-O 3.44Å; T758-L762 WeakPolarHBondContact OG1-CB 3.29Å; T758-L762 PolarHBondContact OG1-N 2.84Å; T758-L762 VanDerWaalsContact OG1-N 3.12Å; T758-L762 PolarHBondContact OG1-O 2.96Å |
| 763 | V | 94.8 | Very high | 90.2 | Very high | 12 Ų | 12 | 40 Ų | 40 | 7% | 0.073 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 119.3 | 174.1 | -177 | 0 | 0 | 0 | 0 | 109.3 | V732 E756 P787 A810 G811 L813 V816 | V732-V763 HydrophobicContact CG1-CG1 3.93Å; V732-V763 HydrophobicContact CG1-CG2 3.96Å; E756-V763 CarbonylContact O-C 3.59Å; E756-V763 WeakPolarHBondContact O-CA 3.28Å; V763-P787 HydrophobicContact CG1-CB 3.89Å; V763-P787 HydrophobicContact CG1-CG 3.89Å; V763-A810 HydrophobicContact CG2-CB 4.43Å; V763-G811 PolarHBondContact N-O 3.4Å; V763-L813 HydrophobicContact CG2-CD2 4.33Å; V763-V816 HydrophobicContact CG2-CG2 3.94Å |
| 764 | L | 93.3 | Very high | 89.7 | Confident | 46 Ų | 46 | 40.6 Ų | 40.6 | 24% | 0.241 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 150.8 | -177.3 | -64 | -176.9 | 0 | 0 | 0 | 111.7 | E756 T758 P787 | E756-L764 HydrophobicContact CB-CB 3.98Å; E756-L764 HydrophobicContact CG-CB 4.08Å; E756-L764 HydrophobicContact CG-CD1 4.13Å; E756-L764 PolarHBondContact N-O 3.48Å; E756-L764 PolarHBondContact O-N 3.45Å; T758-L764 HydrophobicContact CG2-CD1 3.62Å; T758-L764 HydrophobicContact CG2-CD2 4.42Å; T758-L764 HydrophobicContact CG2-CG 3.93Å; L764-P787 VanDerWaalsContact O-CG 3.24Å; L764-P787 WeakPolarHBondContact O-CG 3.45Å |
| 765 | P | 92.5 | Very high | 89.1 | Confident | 55 Ų | 55 | 40.8 Ų | 40.8 | 36% | 0.357 | 22% | 0.222 | S | C | . | . | P | Polyproline II helix | trans | -66.9 | 148.7 | -178 | 26.7 | -33 | 0 | 0 | 0 | 112.1 | R789 N790 | P765-R789 HydrophobicContact CB-CB 3.97Å; P765-R789 HydrophobicContact CG-CB 4.18Å; P765-N790 WeakPolarHBondContact CA-OD1 3.4Å; P765-N790 WeakPolarHBondContact CB-OD1 3.45Å |
| 766 | V | 91 | Very high | 88.7 | Confident | 15 Ų | 15 | 40.8 Ų | 40.8 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | trans | -126.1 | 155.7 | -179.4 | -61.1 | 0 | 0 | 0 | 0 | 111.1 | T754 E756 I769 P787 N790 | T754-V766 HydrophobicContact CG2-CG2 3.81Å; E756-V766 HydrophobicContact CB-CG1 4.31Å; V766-I769 HydrophobicContact CG2-CD1 3.7Å; V766-P787 HydrophobicContact CG2-CG 4.27Å; V766-N790 PolarHBondContact N-OD1 3.09Å; V766-N790 PolarHBondContact O-ND2 3.48Å | ||
| 767 | G | 85.9 | Confident | 88.3 | Confident | 55 Ų | 55 | 39.7 Ų | 39.7 | 57% | 0.567 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -82.6 | 167.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K772 | G767-K772 PolarHBondContact O-NZ 2.84Š|
| 768 | G | 84.3 | Confident | 87.4 | Confident | 28 Ų | 28 | 42.6 Ų | 42.6 | 29% | 0.289 | 23% | 0.227 | S | C | . | . | trans | 71.9 | 28.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K770 D771 K772 | G768-K770 VanDerWaalsContact C-N 3.34Å; G768-K770 PolarHBondContact O-N 3.21Å; G768-D771 PolarHBondContact O-N 3.44Å; G768-K772 WeakPolarHBondContact O-CB 3.36Å; G768-K772 VanDerWaalsContact O-CG 3.3Å; G768-K772 WeakPolarHBondContact O-CG 3.28Å; G768-K772 PolarHBondContact O-N 3.03Å | ||
| 769 | I | 88.8 | Confident | 86.6 | Confident | 6 Ų | 6 | 41.8 Ų | 41.8 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.4 | -47 | -175.3 | -61.4 | -66 | 0 | 0 | 0 | 111.6 | T754 V766 D771 K772 V773 L786 N790 D793 | T754-I769 HydrophobicContact CG2-CD1 4.46Å; V766-I769 HydrophobicContact CG2-CD1 3.7Å; I769-D771 PolarHBondContact O-N 3.04Å; I769-K772 PolarHBondContact O-N 3.03Å; I769-V773 HydrophobicContact CG2-CG2 3.99Å; I769-V773 WeakPolarHBondContact O-CB 3.39Å; I769-V773 VanDerWaalsContact O-CG2 3.23Å; I769-V773 WeakPolarHBondContact O-CG2 3.18Å; I769-V773 PolarHBondContact O-N 3.35Å; I769-L786 HydrophobicContact CD1-CD2 4.07Å; I769-L786 HydrophobicContact CG2-CD1 3.9Å; I769-N790 HydrophobicContact CD1-CB 3.88Å; I769-N790 HydrophobicContact CG1-CB 3.94Å; I769-D793 HydrophobicContact CB-CB 4.07Å; I769-D793 HydrophobicContact CG1-CB 4.21Å; I769-D793 HydrophobicContact CG2-CB 4.27Å |
| 770 | K | 83.8 | Confident | 86 | Confident | 38 Ų | 38 | 39 Ų | 39 | 17% | 0.165 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -53.3 | -54.2 | 178.3 | 177.1 | 168.3 | -177.4 | 155.2 | 0 | 112.5 | P516 G768 K772 V773 L774 E796 L797 | P516-K770 HydrophobicContact CB-CD 4.43Å; G768-K770 VanDerWaalsContact C-N 3.34Å; G768-K770 PolarHBondContact O-N 3.21Å; K770-K772 VanDerWaalsContact C-N 3.35Å; K770-K772 PolarHBondContact O-N 2.85Å; K770-V773 PolarHBondContact O-N 3.38Å; K770-L774 HydrophobicContact CG-CD1 4.06Å; K770-L774 WeakPolarHBondContact O-CB 3.27Å; K770-L774 VanDerWaalsContact O-CG 3.24Å; K770-L774 WeakPolarHBondContact O-CG 3.36Å; K770-L774 PolarHBondContact O-N 3.3Å; K770-E796 HydrophobicContact CD-CB 4.34Å; K770-E796 PolarHBondContact NZ-O 3.49Å; K770-L797 HydrophobicContact CB-CD2 4.4Å; K770-L797 HydrophobicContact CG-CD2 4.21Å |
| 771 | D | 82.1 | Confident | 85.8 | Confident | 38 Ų | 38 | 28.5 Ų | 28.5 | 20% | 0.203 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.4 | -39.5 | -178.7 | -69.8 | -41.9 | 0 | 0 | 0 | 112.2 | W648 G653 G768 I769 A775 | W648-D771 PolarHBondContact NE1-OD2 3.01Å; G653-D771 WeakPolarHBondContact CA-O 3.37Å; G768-D771 PolarHBondContact O-N 3.44Å; I769-D771 PolarHBondContact O-N 3.04Å; D771-A775 WeakPolarHBondContact O-CB 3.46Å; D771-A775 PolarHBondContact O-N 2.84Å |
| 772 | K | 87.6 | Confident | 85.7 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 1% | 0.013 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64 | -45.4 | 177.2 | -76.2 | 177.7 | 176.9 | 179.7 | 0 | 111.9 | L646 W648 S729 T754 G767 G768 I769 K770 A775 A776 | L646-K772 HydrophobicContact CB-CB 3.87Å; L646-K772 HydrophobicContact CB-CD 4.2Å; L646-K772 HydrophobicContact CB-CG 4Å; L646-K772 HydrophobicContact CD1-CB 4.16Å; W648-K772 HydrophobicContact CB-CG 4.47Å; S729-K772 PolarHBondContact OG-NZ 2.94Å; T754-K772 HydrophobicContact CG2-CD 3.98Å; T754-K772 PolarHBondContact OG1-NZ 2.96Å; G767-K772 PolarHBondContact O-NZ 2.84Å; G768-K772 WeakPolarHBondContact O-CB 3.36Å; G768-K772 VanDerWaalsContact O-CG 3.3Å; G768-K772 WeakPolarHBondContact O-CG 3.28Å; G768-K772 PolarHBondContact O-N 3.03Å; I769-K772 PolarHBondContact O-N 3.03Å; K770-K772 VanDerWaalsContact C-N 3.35Å; K770-K772 PolarHBondContact O-N 2.85Å; K772-A775 WeakPolarHBondContact O-CB 3.47Å; K772-A775 PolarHBondContact O-N 3.16Å; K772-A776 PolarHBondContact O-N 3.29Å |
| 773 | V | 89.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67 | -41.2 | 178.3 | 173.5 | 0 | 0 | 0 | 0 | 110.8 | I769 K770 A775 A776 H777 V784 L786 L797 V801 L805 F807 | I769-V773 HydrophobicContact CG2-CG2 3.99Å; I769-V773 WeakPolarHBondContact O-CB 3.39Å; I769-V773 VanDerWaalsContact O-CG2 3.23Å; I769-V773 WeakPolarHBondContact O-CG2 3.18Å; I769-V773 PolarHBondContact O-N 3.35Å; K770-V773 PolarHBondContact O-N 3.38Å; V773-A775 PolarHBondContact O-N 3.47Å; V773-A776 WeakPolarHBondContact O-CB 3.5Å; V773-A776 PolarHBondContact O-N 3.14Å; V773-A776 VanDerWaalsContact O-N 3.15Å; V773-H777 PolarHBondContact O-N 3.25Å; V773-V784 HydrophobicContact CG2-CG1 4.46Å; V773-L786 HydrophobicContact CG2-CD1 4.18Å; V773-L797 HydrophobicContact CB-CD1 4.36Å; V773-L797 HydrophobicContact CB-CD2 3.96Å; V773-L797 HydrophobicContact CG1-CD1 3.83Å; V773-L797 HydrophobicContact CG1-CD2 3.88Å; V773-L797 HydrophobicContact CG2-CD1 4.45Å; V773-V801 HydrophobicContact CG1-CG1 4.12Å; V773-L805 HydrophobicContact CG1-CD1 3.47Å; V773-L805 VanDerWaalsContact CG1-CD1 3.47Å; V773-F807 HydrophobicContact CG1-CE1 3.8Å; V773-F807 HydrophobicContact CG1-CZ 3.85Å; V773-F807 HydrophobicContact CG2-CE1 4Å |
| 774 | L | 82.6 | Confident | 85.5 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.068 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.4 | -33.9 | 172.7 | -71.1 | 173.3 | 0 | 0 | 0 | 112.1 | T519 K770 R778 V801 | T519-L774 HydrophobicContact CG2-CD2 3.74Å; K770-L774 HydrophobicContact CG-CD1 4.06Å; K770-L774 WeakPolarHBondContact O-CB 3.27Å; K770-L774 VanDerWaalsContact O-CG 3.24Å; K770-L774 WeakPolarHBondContact O-CG 3.36Å; K770-L774 PolarHBondContact O-N 3.3Å; L774-R778 WeakPolarHBondContact O-CB 3.39Å; L774-R778 VanDerWaalsContact O-CG 3.24Å; L774-R778 WeakPolarHBondContact O-CG 3.32Å; L774-R778 PolarHBondContact O-N 3.43Å; L774-R778 PolarHBondContact O-NE 3.35Å; L774-V801 HydrophobicContact CD2-CG1 4.38Å; L774-V801 HydrophobicContact CD2-CG2 3.96Å |
| 775 | A | 81.4 | Confident | 85.6 | Confident | 4 Ų | 4 | 30.8 Ų | 30.8 | 3% | 0.033 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.6 | -42.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G653 D771 K772 V773 R778 A779 | G653-A775 WeakPolarHBondContact O-CB 3.48Å; D771-A775 WeakPolarHBondContact O-CB 3.46Å; D771-A775 PolarHBondContact O-N 2.84Å; K772-A775 WeakPolarHBondContact O-CB 3.47Å; K772-A775 PolarHBondContact O-N 3.16Å; V773-A775 PolarHBondContact O-N 3.47Å; A775-R778 PolarHBondContact O-N 3.12Å; A775-A779 WeakPolarHBondContact O-CB 3.32Å; A775-A779 PolarHBondContact O-N 3.32Å |
| 776 | A | 86 | Confident | 85.8 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.3 | -47.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L646 A752 K772 V773 R778 A779 G780 V781 V784 | L646-A776 HydrophobicContact CD1-CB 4.1Å; L646-A776 HydrophobicContact CD2-CB 3.79Å; A752-A776 HydrophobicContact CB-CB 4.38Å; K772-A776 PolarHBondContact O-N 3.29Å; V773-A776 WeakPolarHBondContact O-CB 3.5Å; V773-A776 PolarHBondContact O-N 3.14Å; V773-A776 VanDerWaalsContact O-N 3.15Å; A776-R778 PolarHBondContact O-N 2.87Å; A776-A779 CarbonylContact O-C 3.57Å; A776-A779 WeakPolarHBondContact O-CB 3.33Å; A776-A779 PolarHBondContact O-N 3.07Å; A776-A779 VanDerWaalsContact O-N 3.12Å; A776-G780 PolarHBondContact O-N 2.93Å; A776-V781 HydrophobicContact CB-CB 4.23Å; A776-V781 WeakPolarHBondContact O-CB 3.4Å; A776-V781 PolarHBondContact O-N 2.85Å; A776-V781 VanDerWaalsContact O-N 3.13Å; A776-V784 HydrophobicContact CB-CG2 3.78Å |
| 777 | H | 83.8 | Confident | 86 | Confident | 42 Ų | 42 | 27.5 Ų | 27.5 | 19% | 0.194 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.2 | -47.2 | 177 | -175.3 | -101.4 | 0 | 0 | 0 | 112.1 | V773 A779 G780 V801 D804 L805 | V773-H777 PolarHBondContact O-N 3.25Å; H777-A779 PolarHBondContact O-N 2.83Å; H777-G780 PolarHBondContact O-N 2.53Å; H777-V801 HydrophobicContact CB-CG1 4.17Å; H777-D804 IonicContact NE2-OD2 2.88Å; H777-L805 HydrophobicContact CB-CD1 4.2Å |
| 778 | R | 76.5 | Confident | 86.4 | Confident | 68 Ų | 68 | 31 Ų | 31 | 26% | 0.257 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.2 | -28 | 176.7 | -74.1 | -179.4 | -57 | 175.5 | 7.8 | 113.3 | Q520 E563 G653 L774 A775 A776 G780 | Q520-R778 HydrophobicContact CG-CG 4.38Å; E563-R778 PolarHBondContact O-NH1 3.24Å; G653-R778 PolarHBondContact O-NH2 3.28Å; L774-R778 WeakPolarHBondContact O-CB 3.39Å; L774-R778 VanDerWaalsContact O-CG 3.24Å; L774-R778 WeakPolarHBondContact O-CG 3.32Å; L774-R778 PolarHBondContact O-N 3.43Å; L774-R778 PolarHBondContact O-NE 3.35Å; A775-R778 PolarHBondContact O-N 3.12Å; A776-R778 PolarHBondContact O-N 2.87Å; R778-G780 VanDerWaalsContact C-N 3.27Å |
| 779 | A | 74.6 | Confident | 86.8 | Confident | 20 Ų | 20 | 38.2 Ų | 38.2 | 17% | 0.165 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V633 I655 A775 A776 H777 V781 | V633-A779 HydrophobicContact CG2-CB 4.1Å; V633-A779 WeakPolarHBondContact CG2-O 3.22Å; I655-A779 HydrophobicContact CD1-CB 3.86Å; I655-A779 HydrophobicContact CG1-CB 4.43Å; I655-A779 HydrophobicContact CG2-CB 3.66Å; A775-A779 WeakPolarHBondContact O-CB 3.32Å; A775-A779 PolarHBondContact O-N 3.32Å; A776-A779 CarbonylContact O-C 3.57Å; A776-A779 WeakPolarHBondContact O-CB 3.33Å; A776-A779 PolarHBondContact O-N 3.07Å; A776-A779 VanDerWaalsContact O-N 3.12Å; H777-A779 PolarHBondContact O-N 2.83Å; A779-V781 VanDerWaalsContact C-N 3.29Å; A779-V781 HydrophobicContact CB-CG2 4.13Å; A779-V781 PolarHBondContact O-N 3.12Å |
| 780 | G | 76.3 | Confident | 87 | Confident | 56 Ų | 56 | 38.2 Ų | 38.2 | 58% | 0.577 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 16.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | A776 H777 R778 | A776-G780 PolarHBondContact O-N 2.93Å; H777-G780 PolarHBondContact O-N 2.53Å; R778-G780 VanDerWaalsContact C-N 3.27Å |
| 781 | V | 84.6 | Confident | 87.4 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | trans | -70.5 | 138 | 174.7 | 179.8 | 0 | 0 | 0 | 0 | 108.7 | L644 D750 A752 A776 A779 R783 L805 | L644-V781 HydrophobicContact CD2-CG2 3.54Å; D750-V781 WeakPolarHBondContact O-CG1 3.16Å; A752-V781 HydrophobicContact CB-CB 4.48Å; A752-V781 HydrophobicContact CB-CG1 3.76Å; A752-V781 HydrophobicContact CB-CG2 4.2Å; A776-V781 HydrophobicContact CB-CB 4.23Å; A776-V781 WeakPolarHBondContact O-CB 3.4Å; A776-V781 PolarHBondContact O-N 2.85Å; A776-V781 VanDerWaalsContact O-N 3.13Å; A779-V781 VanDerWaalsContact C-N 3.29Å; A779-V781 HydrophobicContact CB-CG2 4.13Å; A779-V781 PolarHBondContact O-N 3.12Å; V781-R783 WeakPolarHBondContact CG1-O 3.39Å; V781-L805 WeakPolarHBondContact O-CD2 3.39Å | ||
| 782 | K | 86.8 | Confident | 87.7 | Confident | 143 Ų | 143 | 47 Ų | 47 | 62% | 0.622 | 22% | 0.22 | S | C | * | . | trans | -97 | -28.4 | -179.6 | -65.3 | -172 | 175.8 | -176 | 0 | 113.5 | D750 L805 D806 | D750-K782 HydrophobicContact CB-CB 4.29Å; D750-K782 PolarHBondContact O-N 2.9Å; K782-L805 WeakPolarHBondContact O-CA 3.44Å; K782-D806 PolarHBondContact O-N 2.95Å | ||
| 783 | R | 91 | Very high | 87.6 | Confident | 57 Ų | 57 | 48.7 Ų | 48.7 | 22% | 0.215 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 133.3 | -176.4 | 178.3 | 175.3 | -70.4 | 159.3 | 0.7 | 111.7 | D750 V751 A752 V781 D806 V808 | D750-R783 PolarHBondContact O-N 3.38Å; V751-R783 WeakPolarHBondContact CA-O 3.33Å; V751-R783 HydrophobicContact CG2-CB 4.13Å; V751-R783 HydrophobicContact CG2-CG 4.25Å; A752-R783 PolarHBondContact N-O 3.01Å; V781-R783 WeakPolarHBondContact CG1-O 3.39Å; R783-D806 CarbonylContact C-O 3.54Å; R783-D806 VanDerWaalsContact CA-O 3.27Å; R783-D806 WeakPolarHBondContact CA-O 3.33Å; R783-D806 HydrophobicContact CB-CB 4.38Å; R783-D806 HydrophobicContact CG-CB 4.49Å; R783-D806 IonicContact CZ-OD2 2.82Å; R783-D806 IonicContact NE-OD2 3.53Å; R783-D806 PolarHBondContact NE-OD2 3.02Å; R783-D806 IonicContact NH2-OD2 2.81Å; R783-D806 PolarHBondContact NH2-OD2 2.96Å; R783-V808 HydrophobicContact CG-CG2 4.08Å |
| 784 | V | 94.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 122.6 | 177.4 | -172.6 | 0 | 0 | 0 | 0 | 110.8 | L646 A752 V773 A776 L786 L805 D806 F807 V808 | L646-V784 HydrophobicContact CD1-CG1 3.72Å; A752-V784 CarbonylContact O-C 3.6Å; A752-V784 WeakPolarHBondContact O-CA 3.44Å; V773-V784 HydrophobicContact CG2-CG1 4.46Å; A776-V784 HydrophobicContact CB-CG2 3.78Å; V784-L786 HydrophobicContact CG1-CD2 3.75Å; V784-L786 HydrophobicContact CG1-CG 3.93Å; V784-L805 HydrophobicContact CG2-CD1 4.2Å; V784-L805 HydrophobicContact CG2-CD2 4.49Å; V784-D806 PolarHBondContact N-O 3.15Å; V784-F807 HydrophobicContact CB-CD1 4.21Å; V784-F807 HydrophobicContact CB-CE1 4.33Å; V784-F807 WeakPolarHBondContact O-CA 3.33Å; V784-V808 PolarHBondContact O-N 2.72Å |
| 785 | V | 95.5 | Very high | 87.5 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.012 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 120.6 | 173.6 | -173.7 | 0 | 0 | 0 | 0 | 109.3 | V751 A752 M753 T754 V808 A810 V816 A819 | V751-V785 HydrophobicContact CG1-CG2 3.88Å; A752-V785 PolarHBondContact O-N 3.06Å; M753-V785 WeakPolarHBondContact CA-O 3.5Å; M753-V785 HydrophobicContact CB-CB 3.85Å; M753-V785 HydrophobicContact CB-CG2 4.43Å; T754-V785 PolarHBondContact N-O 3.42Å; V785-V808 WeakPolarHBondContact CA-O 3.27Å; V785-V808 HydrophobicContact CG2-CB 4.32Å; V785-A810 HydrophobicContact CG1-CB 3.91Å; V785-V816 HydrophobicContact CG1-CG1 4.47Å; V785-V816 HydrophobicContact CG1-CG2 4.12Å; V785-A819 HydrophobicContact CG2-CB 3.94Å |
| 786 | L | 95.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 153.8 | -178.7 | -63.1 | -179.6 | 0 | 0 | 0 | 111.4 | T754 I769 V773 V784 K788 L794 F807 V808 M809 A810 | T754-L786 HydrophobicContact CG2-CD2 3.56Å; I769-L786 HydrophobicContact CD1-CD2 4.07Å; I769-L786 HydrophobicContact CG2-CD1 3.9Å; V773-L786 HydrophobicContact CG2-CD1 4.18Å; V784-L786 HydrophobicContact CG1-CD2 3.75Å; V784-L786 HydrophobicContact CG1-CG 3.93Å; L786-K788 PolarHBondContact O-N 2.99Å; L786-L794 HydrophobicContact CD1-CD2 3.78Å; L786-F807 HydrophobicContact CD1-CD1 3.9Å; L786-F807 HydrophobicContact CD1-CE1 4.24Å; L786-V808 PolarHBondContact N-O 3.02Å; L786-M809 HydrophobicContact CB-CE 3.92Å; L786-M809 HydrophobicContact CB-SD 4.31Å; L786-M809 HydrophobicContact CD1-CE 4.21Å; L786-M809 HydrophobicContact CG-CE 4.46Å; L786-M809 CarbonylContact O-C 3.59Å; L786-M809 WeakPolarHBondContact O-CA 3.47Å; L786-A810 PolarHBondContact O-N 2.94Å |
| 787 | P | 96.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 137.5 | 172.5 | -20.6 | 34.5 | 0 | 0 | 0 | 110.6 | T754 V763 L764 V766 R789 N790 A810 | T754-P787 WeakPolarHBondContact O-CD 3.42Å; V763-P787 HydrophobicContact CG1-CB 3.89Å; V763-P787 HydrophobicContact CG1-CG 3.89Å; L764-P787 VanDerWaalsContact O-CG 3.24Å; L764-P787 WeakPolarHBondContact O-CG 3.45Å; V766-P787 HydrophobicContact CG2-CG 4.27Å; P787-R789 PolarHBondContact O-N 3.48Å; P787-N790 WeakPolarHBondContact CB-OD1 2.95Å; P787-N790 WeakPolarHBondContact CG-OD1 3.34Å; P787-N790 WeakPolarHBondContact O-CB 3.5Å; P787-N790 PolarHBondContact O-N 3.32Å; P787-A810 CarbonylContact C-O 3.57Å; P787-A810 WeakPolarHBondContact CA-O 3.49Å |
| 788 | K | 94.6 | Very high | 86.7 | Confident | 129 Ų | 129 | 60.6 Ų | 60.6 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -53.6 | -31.7 | -179.3 | -174.8 | 172 | -176.5 | 171.4 | 0 | 113.8 | L786 N790 E791 M809 A810 | L786-K788 PolarHBondContact O-N 2.99Å; K788-N790 VanDerWaalsContact C-N 3.27Å; K788-N790 PolarHBondContact O-N 3.35Å; K788-E791 WeakPolarHBondContact O-CB 3.47Å; K788-E791 PolarHBondContact O-N 3.5Å; K788-M809 HydrophobicContact CB-CB 4.36Å; K788-M809 HydrophobicContact CG-CB 4.41Å; K788-A810 PolarHBondContact N-O 3Å |
| 789 | R | 91.7 | Very high | 86.9 | Confident | 179 Ų | 179 | 61.3 Ų | 61.3 | 68% | 0.675 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -74.6 | -11.9 | 179 | -68.6 | -175 | -179.1 | -177.7 | 0.3 | 114.4 | P765 P787 | P765-R789 HydrophobicContact CB-CB 3.97Å; P765-R789 HydrophobicContact CG-CB 4.18Å; P787-R789 PolarHBondContact O-N 3.48Å |
| 790 | N | 93.4 | Very high | 87 | Confident | 7 Ų | 7 | 63 Ų | 63 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -92.4 | 3.5 | 176 | -74.9 | 114.8 | 0 | 0 | 0 | 113.2 | P765 V766 I769 P787 K788 K792 D793 | P765-N790 WeakPolarHBondContact CA-OD1 3.4Å; P765-N790 WeakPolarHBondContact CB-OD1 3.45Å; V766-N790 PolarHBondContact N-OD1 3.09Å; V766-N790 PolarHBondContact O-ND2 3.48Å; I769-N790 HydrophobicContact CD1-CB 3.88Å; I769-N790 HydrophobicContact CG1-CB 3.94Å; P787-N790 WeakPolarHBondContact CB-OD1 2.95Å; P787-N790 WeakPolarHBondContact CG-OD1 3.34Å; P787-N790 WeakPolarHBondContact O-CB 3.5Å; P787-N790 PolarHBondContact O-N 3.32Å; K788-N790 VanDerWaalsContact C-N 3.27Å; K788-N790 PolarHBondContact O-N 3.35Å; N790-K792 PolarHBondContact O-N 2.89Å; N790-D793 WeakPolarHBondContact CA-OD2 3.33Å; N790-D793 PolarHBondContact ND2-OD2 3.16Å; N790-D793 WeakPolarHBondContact O-CB 3.47Å; N790-D793 PolarHBondContact O-N 2.72Å |
| 791 | E | 91.3 | Very high | 87.3 | Confident | 112 Ų | 112 | 60.3 Ų | 60.3 | 52% | 0.523 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -55.3 | -37.9 | 179.4 | -174.9 | 175.5 | -174.8 | 0 | 0 | 112.7 | K788 D793 L794 M809 | K788-E791 WeakPolarHBondContact O-CB 3.47Å; K788-E791 PolarHBondContact O-N 3.5Å; E791-D793 PolarHBondContact O-N 3.08Å; E791-L794 HydrophobicContact CG-CD1 4.46Å; E791-L794 VanDerWaalsContact O-CB 3.27Å; E791-L794 WeakPolarHBondContact O-CB 3.46Å; E791-L794 WeakPolarHBondContact O-CG 3.47Å; E791-L794 PolarHBondContact O-N 3.1Å; E791-L794 VanDerWaalsContact O-N 3.13Å; E791-M809 HydrophobicContact CB-SD 3.96Å; E791-M809 HydrophobicContact CG-SD 4.36Å |
| 792 | K | 88.5 | Confident | 87.3 | Confident | 148 Ų | 148 | 66.3 Ų | 66.3 | 64% | 0.643 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -58.2 | -28.9 | 174.8 | 63.3 | 179.9 | -177.1 | 171.7 | 0 | 113.9 | N790 L794 E795 | N790-K792 PolarHBondContact O-N 2.89Å; K792-L794 PolarHBondContact O-N 2.91Å; K792-E795 PolarHBondContact O-N 2.81Å |
| 793 | D | 86.9 | Confident | 87.2 | Confident | 39 Ų | 39 | 63.5 Ų | 63.5 | 21% | 0.209 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -78.6 | -11.7 | -176.3 | -52 | -46.6 | 0 | 0 | 0 | 111.3 | I769 N790 E791 E795 E796 | I769-D793 HydrophobicContact CB-CB 4.07Å; I769-D793 HydrophobicContact CG1-CB 4.21Å; I769-D793 HydrophobicContact CG2-CB 4.27Å; N790-D793 WeakPolarHBondContact CA-OD2 3.33Å; N790-D793 PolarHBondContact ND2-OD2 3.16Å; N790-D793 WeakPolarHBondContact O-CB 3.47Å; N790-D793 PolarHBondContact O-N 2.72Å; E791-D793 PolarHBondContact O-N 3.08Å; D793-E795 PolarHBondContact O-N 2.97Å; D793-E796 PolarHBondContact O-N 3.24Å |
| 794 | L | 85.1 | Confident | 86.8 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 6% | 0.058 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -68.2 | -20.7 | 174.7 | -62.4 | 177.2 | 0 | 0 | 0 | 112.9 | L786 E791 K792 E796 L797 F807 M809 | L786-L794 HydrophobicContact CD1-CD2 3.78Å; E791-L794 HydrophobicContact CG-CD1 4.46Å; E791-L794 VanDerWaalsContact O-CB 3.27Å; E791-L794 WeakPolarHBondContact O-CB 3.46Å; E791-L794 WeakPolarHBondContact O-CG 3.47Å; E791-L794 PolarHBondContact O-N 3.1Å; E791-L794 VanDerWaalsContact O-N 3.13Å; K792-L794 PolarHBondContact O-N 2.91Å; L794-E796 PolarHBondContact O-N 2.81Å; L794-L797 HydrophobicContact CB-CD1 4.41Å; L794-L797 HydrophobicContact CD2-CD1 3.56Å; L794-L797 WeakPolarHBondContact O-CB 3.25Å; L794-L797 PolarHBondContact O-N 2.88Å; L794-F807 HydrophobicContact CD1-CG 4.36Å; L794-F807 HydrophobicContact CD2-CD1 3.76Å; L794-F807 HydrophobicContact CD2-CE1 3.66Å; L794-F807 HydrophobicContact CD2-CG 4.26Å; L794-F807 HydrophobicContact CD2-CZ 4.09Å; L794-M809 HydrophobicContact CD1-CE 3.85Å |
| 795 | E | 83.6 | Confident | 86.6 | Confident | 160 Ų | 160 | 66 Ų | 66 | 75% | 0.748 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -67.2 | -20 | 174.5 | -64.9 | -174.4 | 179.3 | 0 | 0 | 112.5 | K792 D793 L797 | K792-E795 PolarHBondContact O-N 2.81Å; D793-E795 PolarHBondContact O-N 2.97Å; E795-L797 VanDerWaalsContact C-N 3.29Å |
| 796 | E | 77.7 | Confident | 86.5 | Confident | 90 Ų | 90 | 69.4 Ų | 69.4 | 42% | 0.421 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -82.4 | -8.2 | 178.1 | -56.1 | -163 | 150.2 | 0 | 0 | 114.1 | K770 D793 L794 | K770-E796 HydrophobicContact CD-CB 4.34Å; K770-E796 PolarHBondContact NZ-O 3.49Å; D793-E796 PolarHBondContact O-N 3.24Å; L794-E796 PolarHBondContact O-N 2.81Å |
| 797 | L | 81.1 | Confident | 86.4 | Confident | 15 Ų | 15 | 71.2 Ų | 71.2 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -80.2 | 142.7 | -179.9 | -66.7 | 171.8 | 0 | 0 | 0 | 111.5 | K770 V773 L794 E795 F807 | K770-L797 HydrophobicContact CB-CD2 4.4Å; K770-L797 HydrophobicContact CG-CD2 4.21Å; V773-L797 HydrophobicContact CB-CD1 4.36Å; V773-L797 HydrophobicContact CB-CD2 3.96Å; V773-L797 HydrophobicContact CG1-CD1 3.83Å; V773-L797 HydrophobicContact CG1-CD2 3.88Å; V773-L797 HydrophobicContact CG2-CD1 4.45Å; L794-L797 HydrophobicContact CB-CD1 4.41Å; L794-L797 HydrophobicContact CD2-CD1 3.56Å; L794-L797 WeakPolarHBondContact O-CB 3.25Å; L794-L797 PolarHBondContact O-N 2.88Å; E795-L797 VanDerWaalsContact C-N 3.29Å; L797-F807 HydrophobicContact CD1-CE1 4.19Å; L797-F807 HydrophobicContact CD1-CZ 3.78Å |
| 798 | P | 76.8 | Confident | 86.3 | Confident | 32 Ų | 32 | 73 Ų | 73 | 21% | 0.208 | 37% | 0.367 | C | S | . | . | trans | -55.9 | 144.1 | 167.6 | -26.4 | 37.5 | 0 | 0 | 0 | 112.5 | N800 V801 R802 | P798-N800 VanDerWaalsContact C-N 3.33Å; P798-N800 WeakPolarHBondContact CB-OD1 3.48Å; P798-N800 PolarHBondContact O-N 3.26Å; P798-V801 HydrophobicContact CB-CG2 4.22Å; P798-V801 HydrophobicContact CG-CG2 4.45Å; P798-V801 PolarHBondContact O-N 3.09Å; P798-R802 PolarHBondContact O-N 3.26Å | ||
| 799 | A | 79.1 | Confident | 86.3 | Confident | 83 Ų | 83 | 69 Ų | 69 | 69% | 0.686 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.6 | -35.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | R802 A803 | A799-R802 PolarHBondContact O-N 3.43Å; A799-A803 WeakPolarHBondContact O-CB 3.05Å; A799-A803 PolarHBondContact O-N 3.03Å |
| 800 | N | 77.1 | Confident | 86.4 | Confident | 56 Ų | 56 | 60.5 Ų | 60.5 | 30% | 0.299 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60 | -52.5 | 173.3 | 54.5 | -19.3 | 0 | 0 | 0 | 111.4 | E521 P798 R802 A803 D804 | E521-N800 PolarHBondContact OE2-ND2 3.14Å; P798-N800 VanDerWaalsContact C-N 3.33Å; P798-N800 WeakPolarHBondContact CB-OD1 3.48Å; P798-N800 PolarHBondContact O-N 3.26Å; N800-R802 VanDerWaalsContact C-N 3.26Å; N800-R802 PolarHBondContact O-N 2.77Å; N800-A803 PolarHBondContact O-N 3.2Å; N800-A803 VanDerWaalsContact O-N 3.08Å; N800-D804 PolarHBondContact O-N 3.13Å; N800-D804 VanDerWaalsContact O-N 3.07Å |
| 801 | V | 82.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.9 | -36.4 | 179.3 | 178.6 | 0 | 0 | 0 | 0 | 111.7 | T519 V773 L774 H777 P798 A803 L805 | T519-V801 HydrophobicContact CG2-CG2 3.97Å; V773-V801 HydrophobicContact CG1-CG1 4.12Å; L774-V801 HydrophobicContact CD2-CG1 4.38Å; L774-V801 HydrophobicContact CD2-CG2 3.96Å; H777-V801 HydrophobicContact CB-CG1 4.17Å; P798-V801 HydrophobicContact CB-CG2 4.22Å; P798-V801 HydrophobicContact CG-CG2 4.45Å; P798-V801 PolarHBondContact O-N 3.09Å; V801-A803 VanDerWaalsContact C-N 3.33Å; V801-L805 HydrophobicContact CG1-CD1 3.88Å; V801-L805 WeakPolarHBondContact O-CG 3.49Å; V801-L805 PolarHBondContact O-N 3.04Å |
| 802 | R | 85.1 | Confident | 86.5 | Confident | 130 Ų | 130 | 58.6 Ų | 58.6 | 49% | 0.491 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.2 | -30.1 | 177.8 | -173.3 | 175.3 | 176.2 | 173.7 | 0.6 | 112.7 | P798 A799 N800 F807 | P798-R802 PolarHBondContact O-N 3.26Å; A799-R802 PolarHBondContact O-N 3.43Å; N800-R802 VanDerWaalsContact C-N 3.26Å; N800-R802 PolarHBondContact O-N 2.77Å; R802-F807 HydrophobicContact CG-CE2 4.21Å |
| 803 | A | 84.8 | Confident | 86.7 | Confident | 83 Ų | 83 | 51.5 Ų | 51.5 | 69% | 0.686 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -78 | -33.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | A799 N800 V801 | A799-A803 WeakPolarHBondContact O-CB 3.05Å; A799-A803 PolarHBondContact O-N 3.03Å; N800-A803 PolarHBondContact O-N 3.2Å; N800-A803 VanDerWaalsContact O-N 3.08Å; V801-A803 VanDerWaalsContact C-N 3.33Å |
| 804 | D | 83.6 | Confident | 86.9 | Confident | 98 Ų | 98 | 52.8 Ų | 52.8 | 52% | 0.524 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -81.7 | -16.5 | -176.8 | -73.1 | -6.4 | 0 | 0 | 0 | 114.1 | H777 N800 | H777-D804 IonicContact NE2-OD2 2.88Å; N800-D804 PolarHBondContact O-N 3.13Å; N800-D804 VanDerWaalsContact O-N 3.07Å |
| 805 | L | 89.4 | Confident | 87.2 | Confident | 11 Ų | 11 | 55.1 Ų | 55.1 | 6% | 0.058 | 31% | 0.307 | C | S | . | . | trans | -111.6 | 136.8 | -177.4 | -65.6 | 178.8 | 0 | 0 | 0 | 113 | V773 H777 V781 K782 V784 V801 F807 | V773-L805 HydrophobicContact CG1-CD1 3.47Å; V773-L805 VanDerWaalsContact CG1-CD1 3.47Å; H777-L805 HydrophobicContact CB-CD1 4.2Å; V781-L805 WeakPolarHBondContact O-CD2 3.39Å; K782-L805 WeakPolarHBondContact O-CA 3.44Å; V784-L805 HydrophobicContact CG2-CD1 4.2Å; V784-L805 HydrophobicContact CG2-CD2 4.49Å; V801-L805 HydrophobicContact CG1-CD1 3.88Å; V801-L805 WeakPolarHBondContact O-CG 3.49Å; V801-L805 PolarHBondContact O-N 3.04Å; L805-F807 HydrophobicContact CB-CD2 4.46Å; L805-F807 HydrophobicContact CB-CE1 4.47Å; L805-F807 HydrophobicContact CB-CE2 3.77Å; L805-F807 HydrophobicContact CB-CZ 3.78Å; L805-F807 HydrophobicContact CD1-CE1 4.46Å; L805-F807 HydrophobicContact CD1-CZ 4.01Å; L805-F807 WeakPolarHBondContact O-CD2 3.38Å | ||
| 806 | D | 92.5 | Very high | 87.7 | Confident | 75 Ų | 75 | 47.6 Ų | 47.6 | 40% | 0.401 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 123.5 | 169.3 | -177.2 | 19.6 | 0 | 0 | 0 | 110.1 | K782 R783 V784 | K782-D806 PolarHBondContact O-N 2.95Å; R783-D806 CarbonylContact C-O 3.54Å; R783-D806 VanDerWaalsContact CA-O 3.27Å; R783-D806 WeakPolarHBondContact CA-O 3.33Å; R783-D806 HydrophobicContact CB-CB 4.38Å; R783-D806 HydrophobicContact CG-CB 4.49Å; R783-D806 IonicContact CZ-OD2 2.82Å; R783-D806 IonicContact NE-OD2 3.53Å; R783-D806 PolarHBondContact NE-OD2 3.02Å; R783-D806 IonicContact NH2-OD2 2.81Å; R783-D806 PolarHBondContact NH2-OD2 2.96Å; V784-D806 PolarHBondContact N-O 3.15Å |
| 807 | F | 93.9 | Very high | 88.4 | Confident | 38 Ų | 38 | 43.3 Ų | 43.3 | 17% | 0.167 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.3 | -176.2 | -66.6 | -82.8 | 0 | 0 | 0 | 111.6 | V773 V784 L786 L794 L797 R802 L805 M809 | V773-F807 HydrophobicContact CG1-CE1 3.8Å; V773-F807 HydrophobicContact CG1-CZ 3.85Å; V773-F807 HydrophobicContact CG2-CE1 4Å; V784-F807 HydrophobicContact CB-CD1 4.21Å; V784-F807 HydrophobicContact CB-CE1 4.33Å; V784-F807 WeakPolarHBondContact O-CA 3.33Å; L786-F807 HydrophobicContact CD1-CD1 3.9Å; L786-F807 HydrophobicContact CD1-CE1 4.24Å; L794-F807 HydrophobicContact CD1-CG 4.36Å; L794-F807 HydrophobicContact CD2-CD1 3.76Å; L794-F807 HydrophobicContact CD2-CE1 3.66Å; L794-F807 HydrophobicContact CD2-CG 4.26Å; L794-F807 HydrophobicContact CD2-CZ 4.09Å; L797-F807 HydrophobicContact CD1-CE1 4.19Å; L797-F807 HydrophobicContact CD1-CZ 3.78Å; R802-F807 HydrophobicContact CG-CE2 4.21Å; L805-F807 HydrophobicContact CB-CD2 4.46Å; L805-F807 HydrophobicContact CB-CE1 4.47Å; L805-F807 HydrophobicContact CB-CE2 3.77Å; L805-F807 HydrophobicContact CB-CZ 3.78Å; L805-F807 HydrophobicContact CD1-CE1 4.46Å; L805-F807 HydrophobicContact CD1-CZ 4.01Å; L805-F807 WeakPolarHBondContact O-CD2 3.38Å; F807-M809 HydrophobicContact CB-CE 3.67Å; F807-M809 HydrophobicContact CG-CE 4.49Å |
| 808 | V | 94.2 | Very high | 88.8 | Confident | 37 Ų | 37 | 46.2 Ų | 46.2 | 22% | 0.224 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 117.3 | 174.8 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | R783 V784 V785 L786 A810 A819 | R783-V808 HydrophobicContact CG-CG2 4.08Å; V784-V808 PolarHBondContact O-N 2.72Å; V785-V808 WeakPolarHBondContact CA-O 3.27Å; V785-V808 HydrophobicContact CG2-CB 4.32Å; L786-V808 PolarHBondContact N-O 3.02Å; V808-A810 PolarHBondContact O-N 3.24Å; V808-A819 HydrophobicContact CB-CB 4.28Å; V808-A819 HydrophobicContact CG1-CB 3.82Å; V808-A819 HydrophobicContact CG2-CB 4.25Å |
| 809 | M | 95.1 | Very high | 89.4 | Confident | 46 Ų | 46 | 45.2 Ų | 45.2 | 23% | 0.227 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 103.6 | 178.7 | -65.7 | -56.4 | 115.3 | 0 | 0 | 110.9 | L786 K788 E791 L794 F807 | L786-M809 HydrophobicContact CB-CE 3.92Å; L786-M809 HydrophobicContact CB-SD 4.31Å; L786-M809 HydrophobicContact CD1-CE 4.21Å; L786-M809 HydrophobicContact CG-CE 4.46Å; L786-M809 CarbonylContact O-C 3.59Å; L786-M809 WeakPolarHBondContact O-CA 3.47Å; K788-M809 HydrophobicContact CB-CB 4.36Å; K788-M809 HydrophobicContact CG-CB 4.41Å; E791-M809 HydrophobicContact CB-SD 3.96Å; E791-M809 HydrophobicContact CG-SD 4.36Å; L794-M809 HydrophobicContact CD1-CE 3.85Å; F807-M809 HydrophobicContact CB-CE 3.67Å; F807-M809 HydrophobicContact CG-CE 4.49Å |
| 810 | A | 93.7 | Very high | 90 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 125.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V763 V785 L786 P787 K788 V808 D815 V816 | V763-A810 HydrophobicContact CG2-CB 4.43Å; V785-A810 HydrophobicContact CG1-CB 3.91Å; L786-A810 PolarHBondContact O-N 2.94Å; P787-A810 CarbonylContact C-O 3.57Å; P787-A810 WeakPolarHBondContact CA-O 3.49Å; K788-A810 PolarHBondContact N-O 3Å; V808-A810 PolarHBondContact O-N 3.24Å; A810-D815 HydrophobicContact CB-CB 3.89Å; A810-V816 HydrophobicContact CB-CG2 3.58Å |
| 811 | G | 92.6 | Very high | 90.5 | Very high | 26 Ų | 26 | 39 Ų | 39 | 27% | 0.268 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -95 | -30.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V763 D815 | V763-G811 PolarHBondContact N-O 3.4Å; G811-D815 PolarHBondContact N-OD2 3.3Å |
| 812 | N | 94.2 | Very high | 90.5 | Very high | 52 Ų | 52 | 44.3 Ų | 44.3 | 28% | 0.278 | 25% | 0.245 | S | C | . | . | B | Isolated β-bridge | trans | -135.1 | 171.7 | -179.8 | 62.4 | 37.1 | 0 | 0 | 0 | 111.1 | G761 D814 D815 | G761-N812 CarbonylContact O-C 3.58Å; G761-N812 WeakPolarHBondContact O-CA 3.42Å; G761-N812 WeakPolarHBondContact O-CB 3.43Å; N812-D814 PolarHBondContact O-N 3.47Å; N812-D814 WeakPolarHBondContact OD1-CA 3.41Å; N812-D814 WeakPolarHBondContact OD1-CB 3.49Å; N812-D814 PolarHBondContact OD1-N 3.21Å; N812-D814 VanDerWaalsContact OD1-N 3.07Å; N812-D815 PolarHBondContact N-OD2 3.2Å; N812-D815 PolarHBondContact O-N 3.05Å; N812-D815 PolarHBondContact OD1-N 2.93Å; N812-D815 PolarHBondContact OD1-OD1 3.19Å; N812-D815 PolarHBondContact OD1-OD2 3.11Å |
| 813 | L | 92.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68 | -23.1 | 178.1 | -75.3 | 176.6 | 0 | 0 | 0 | 113.3 | W689 V732 V735 I757 G761 V763 V816 L817 | W689-L813 HydrophobicContact CD2-CD1 3.45Å; W689-L813 VanDerWaalsContact CD2-CD1 3.45Å; W689-L813 HydrophobicContact CE3-CD1 3.68Å; W689-L813 HydrophobicContact CG-CD1 3.95Å; W689-L813 HydrophobicContact CH2-CB 3.65Å; W689-L813 HydrophobicContact CH2-CD1 4.02Å; W689-L813 HydrophobicContact CH2-CG 4.49Å; W689-L813 HydrophobicContact CZ2-CB 3.67Å; W689-L813 HydrophobicContact CZ2-CD1 3.84Å; W689-L813 HydrophobicContact CZ2-CG 4.39Å; W689-L813 HydrophobicContact CZ3-CB 4.23Å; W689-L813 HydrophobicContact CZ3-CD1 3.96Å; V732-L813 HydrophobicContact CG1-CD2 4.02Å; V735-L813 HydrophobicContact CB-CD2 4.28Å; V735-L813 HydrophobicContact CG1-CD1 4.23Å; V735-L813 HydrophobicContact CG1-CD2 4.16Å; V735-L813 HydrophobicContact CG2-CD1 4.08Å; V735-L813 HydrophobicContact CG2-CD2 4.24Å; I757-L813 HydrophobicContact CG2-CD1 4.48Å; I757-L813 HydrophobicContact CG2-CD2 3.75Å; I757-L813 HydrophobicContact CG2-CG 4.46Å; G761-L813 PolarHBondContact O-N 3.45Å; V763-L813 HydrophobicContact CG2-CD2 4.33Å; L813-V816 WeakPolarHBondContact O-CB 3.31Å; L813-V816 PolarHBondContact O-N 3.26Å; L813-L817 WeakPolarHBondContact O-CG 3.5Å; L813-L817 PolarHBondContact O-N 3.32Å |
| 814 | D | 91 | Very high | 89.9 | Confident | 65 Ų | 65 | 39.5 Ų | 39.5 | 35% | 0.348 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.2 | -42.1 | 177.5 | -49.3 | -10.6 | 0 | 0 | 0 | 110.1 | Y697 N812 V816 L817 N818 | Y697-D814 WeakPolarHBondContact OH-CB 3.36Å; Y697-D814 PolarHBondContact OH-OD1 2.87Å; N812-D814 PolarHBondContact O-N 3.47Å; N812-D814 WeakPolarHBondContact OD1-CA 3.41Å; N812-D814 WeakPolarHBondContact OD1-CB 3.49Å; N812-D814 PolarHBondContact OD1-N 3.21Å; N812-D814 VanDerWaalsContact OD1-N 3.07Å; D814-V816 VanDerWaalsContact C-N 3.3Å; D814-V816 PolarHBondContact O-N 2.84Å; D814-L817 PolarHBondContact O-N 3.13Å; D814-N818 WeakPolarHBondContact O-CB 3.21Å; D814-N818 VanDerWaalsContact O-CG 3.28Å; D814-N818 PolarHBondContact O-N 3.3Å; D814-N818 PolarHBondContact O-ND2 3.46Å |
| 815 | D | 91.9 | Very high | 89.8 | Confident | 61 Ų | 61 | 35.3 Ų | 35.3 | 33% | 0.326 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.1 | -43 | 173.8 | -59.1 | -32.7 | 0 | 0 | 0 | 110.8 | A810 G811 N812 A819 | A810-D815 HydrophobicContact CB-CB 3.89Å; G811-D815 PolarHBondContact N-OD2 3.3Å; N812-D815 PolarHBondContact N-OD2 3.2Å; N812-D815 PolarHBondContact O-N 3.05Å; N812-D815 PolarHBondContact OD1-N 2.93Å; N812-D815 PolarHBondContact OD1-OD1 3.19Å; N812-D815 PolarHBondContact OD1-OD2 3.11Å; D815-A819 VanDerWaalsContact O-CB 3.31Å; D815-A819 WeakPolarHBondContact O-CB 3.31Å; D815-A819 PolarHBondContact O-N 3.02Å |
| 816 | V | 93.1 | Very high | 89 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.1 | -50.8 | 179.2 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | V732 M753 V763 V785 A810 L813 D814 N818 A819 S820 | V732-V816 HydrophobicContact CB-CG1 4.18Å; V732-V816 HydrophobicContact CB-CG2 4.4Å; V732-V816 HydrophobicContact CG1-CG2 4.12Å; M753-V816 HydrophobicContact SD-CG1 4.12Å; V763-V816 HydrophobicContact CG2-CG2 3.94Å; V785-V816 HydrophobicContact CG1-CG1 4.47Å; V785-V816 HydrophobicContact CG1-CG2 4.12Å; A810-V816 HydrophobicContact CB-CG2 3.58Å; L813-V816 WeakPolarHBondContact O-CB 3.31Å; L813-V816 PolarHBondContact O-N 3.26Å; D814-V816 VanDerWaalsContact C-N 3.3Å; D814-V816 PolarHBondContact O-N 2.84Å; V816-N818 VanDerWaalsContact C-N 3.35Å; V816-N818 PolarHBondContact O-N 2.94Å; V816-A819 PolarHBondContact O-N 3.19Å; V816-S820 VanDerWaalsContact O-CB 3.31Å; V816-S820 WeakPolarHBondContact O-CB 3.39Å; V816-S820 PolarHBondContact O-N 3.18Å; V816-S820 VanDerWaalsContact O-N 3.07Å; V816-S820 PolarHBondContact O-OG 3.45Å |
| 817 | L | 91.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62 | -44.6 | 179.9 | -67.9 | 174.4 | 0 | 0 | 0 | 110.3 | W689 Y697 V735 A739 L813 D814 A819 S820 F821 F825 | W689-L817 HydrophobicContact CH2-CD1 4.19Å; W689-L817 HydrophobicContact CZ3-CD1 4.28Å; Y697-L817 HydrophobicContact CD1-CD1 4.4Å; Y697-L817 HydrophobicContact CE1-CD1 4.02Å; Y697-L817 HydrophobicContact CE2-CD1 4.24Å; V735-L817 HydrophobicContact CG1-CD2 4.45Å; A739-L817 HydrophobicContact CB-CD2 3.74Å; L813-L817 WeakPolarHBondContact O-CG 3.5Å; L813-L817 PolarHBondContact O-N 3.32Å; D814-L817 PolarHBondContact O-N 3.13Å; L817-A819 VanDerWaalsContact C-N 3.29Å; L817-A819 PolarHBondContact O-N 3.42Å; L817-S820 PolarHBondContact O-N 3.18Å; L817-S820 VanDerWaalsContact O-N 3.15Å; L817-F821 HydrophobicContact CD2-CE2 3.93Å; L817-F821 VanDerWaalsContact O-CD2 3.28Å; L817-F821 WeakPolarHBondContact O-CD2 3.37Å; L817-F821 PolarHBondContact O-N 3.25Å; L817-F825 HydrophobicContact CB-CB 3.87Å; L817-F825 HydrophobicContact CB-CD1 4.29Å; L817-F825 HydrophobicContact CB-CG 4.1Å; L817-F825 HydrophobicContact CD1-CD1 4.08Å; L817-F825 HydrophobicContact CD1-CE1 4.42Å |
| 818 | N | 90.8 | Very high | 85.8 | Confident | 77 Ų | 77 | 40.5 Ų | 40.5 | 41% | 0.412 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.2 | -35 | 178 | -74.1 | -36.6 | 0 | 0 | 0 | 113.5 | D814 V816 F825 | D814-N818 WeakPolarHBondContact O-CB 3.21Å; D814-N818 VanDerWaalsContact O-CG 3.28Å; D814-N818 PolarHBondContact O-N 3.3Å; D814-N818 PolarHBondContact O-ND2 3.46Å; V816-N818 VanDerWaalsContact C-N 3.35Å; V816-N818 PolarHBondContact O-N 2.94Å; N818-F825 PolarHBondContact OD1-N 2.77Å; N818-F825 PolarHBondContact OD1-O 3.19Å |
| 819 | A | 89.1 | Confident | 83.4 | Confident | 11 Ų | 11 | 44.1 Ų | 44.1 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -75.8 | -23.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | V785 V808 D815 V816 L817 | V785-A819 HydrophobicContact CG2-CB 3.94Å; V808-A819 HydrophobicContact CB-CB 4.28Å; V808-A819 HydrophobicContact CG1-CB 3.82Å; V808-A819 HydrophobicContact CG2-CB 4.25Å; D815-A819 VanDerWaalsContact O-CB 3.31Å; D815-A819 WeakPolarHBondContact O-CB 3.31Å; D815-A819 PolarHBondContact O-N 3.02Å; V816-A819 PolarHBondContact O-N 3.19Å; L817-A819 VanDerWaalsContact C-N 3.29Å; L817-A819 PolarHBondContact O-N 3.42Å |
| 820 | S | 90.7 | Very high | 80.8 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -92.8 | -17.4 | -169.4 | -58.6 | 0 | 0 | 0 | 0 | 114.5 | R748 M753 V816 L817 | R748-S820 WeakPolarHBondContact CB-O 3.43Å; R748-S820 WeakPolarHBondContact CG-O 3.48Å; R748-S820 PolarHBondContact N-O 3.33Å; M753-S820 WeakPolarHBondContact CE-OG 3.44Å; V816-S820 VanDerWaalsContact O-CB 3.31Å; V816-S820 WeakPolarHBondContact O-CB 3.39Å; V816-S820 PolarHBondContact O-N 3.18Å; V816-S820 VanDerWaalsContact O-N 3.07Å; V816-S820 PolarHBondContact O-OG 3.45Å; L817-S820 PolarHBondContact O-N 3.18Å; L817-S820 VanDerWaalsContact O-N 3.15Å |
| 821 | F | 89 | Confident | 78.2 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -118.8 | 146.3 | -178.3 | -64.7 | -87.3 | 0 | 0 | 0 | 111.6 | T736 R745 L746 V747 L817 G823 G824 F825 | T736-F821 HydrophobicContact CG2-CE2 3.95Å; T736-F821 HydrophobicContact CG2-CZ 4.15Å; R745-F821 HydrophobicContact CB-CD1 3.8Å; R745-F821 HydrophobicContact CB-CE1 3.79Å; L746-F821 VanDerWaalsContact O-CD1 3.23Å; L746-F821 WeakPolarHBondContact O-CD1 3.46Å; V747-F821 HydrophobicContact CG2-CE1 4.01Å; V747-F821 HydrophobicContact CG2-CZ 4.06Å; L817-F821 HydrophobicContact CD2-CE2 3.93Å; L817-F821 VanDerWaalsContact O-CD2 3.28Å; L817-F821 WeakPolarHBondContact O-CD2 3.37Å; L817-F821 PolarHBondContact O-N 3.25Å; F821-G823 PolarHBondContact O-N 3.13Å; F821-G824 PolarHBondContact O-N 3.25Å; F821-F825 HydrophobicContact CB-CD2 4.28Å; F821-F825 HydrophobicContact CD1-CD2 4.22Å; F821-F825 HydrophobicContact CD1-CE2 4.32Å; F821-F825 HydrophobicContact CD2-CB 4.34Å; F821-F825 AromaticContact CD2-CD2 3.26Å; F821-F825 HydrophobicContact CD2-CD2 3.26Å; F821-F825 AromaticContact CD2-CE2 3.84Å; F821-F825 HydrophobicContact CD2-CE2 3.84Å; F821-F825 HydrophobicContact CD2-CG 4.1Å; F821-F825 HydrophobicContact CE1-CD2 4.41Å; F821-F825 HydrophobicContact CE1-CE2 4.12Å; F821-F825 AromaticContact CE2-CD2 3.51Å; F821-F825 HydrophobicContact CE2-CD2 3.51Å; F821-F825 AromaticContact CE2-CE2 3.62Å; F821-F825 HydrophobicContact CE2-CE2 3.62Å; F821-F825 HydrophobicContact CE2-CG 4.39Å; F821-F825 AromaticContact CG-CD2 3.67Å; F821-F825 HydrophobicContact CG-CD2 3.67Å; F821-F825 HydrophobicContact CG-CE2 4.2Å; F821-F825 HydrophobicContact CZ-CD2 4.09Å; F821-F825 AromaticContact CZ-CE2 3.77Å; F821-F825 HydrophobicContact CZ-CE2 3.77Å |
| 822 | D | 81.4 | Confident | 75.6 | Confident | 113 Ų | 113 | 60.5 Ų | 60.5 | 60% | 0.604 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | 127.3 | 176.3 | -75.2 | -34 | 0 | 0 | 0 | 111.8 | R748 G824 | R748-D822 VanDerWaalsContact CD-OD1 3.3Å; R748-D822 WeakPolarHBondContact CD-OD1 3.42Å; R748-D822 VanDerWaalsContact CG-OD1 3.32Å; R748-D822 WeakPolarHBondContact CG-OD1 3.47Å; R748-D822 IonicContact CZ-OD1 3.79Å; R748-D822 IonicContact NE-OD1 3.9Å; R748-D822 IonicContact NH1-OD1 2.79Å; R748-D822 PolarHBondContact NH1-OD1 3.23Å; D822-G824 VanDerWaalsContact C-N 3.27Å; D822-G824 PolarHBondContact O-N 2.9Å |
| 823 | G | 76.8 | Confident | 72.8 | Confident | 93 Ų | 93 | 63.3 Ų | 63.3 | 96% | 0.959 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 8.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | F821 | F821-G823 PolarHBondContact O-N 3.13Š|
| 824 | G | 79.9 | Confident | 70.1 | Confident | 19 Ų | 19 | 71.1 Ų | 71.1 | 20% | 0.196 | 43% | 0.433 | C | S | . | . | trans | 82.1 | 178.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F821 D822 | F821-G824 PolarHBondContact O-N 3.25Å; D822-G824 VanDerWaalsContact C-N 3.27Å; D822-G824 PolarHBondContact O-N 2.9Å | ||
| 825 | F | 82.1 | Confident | 67.6 | Low | 10 Ų | 10 | 73.2 Ų | 73.2 | 4% | 0.044 | 45% | 0.449 | C | S | . | . | trans | -107 | 135.4 | -177.9 | -154.1 | -106 | 0 | 0 | 0 | 110.6 | Y697 L699 A739 L817 N818 F821 A827 | Y697-F825 AromaticContact CD1-CD1 3.41Å; Y697-F825 HydrophobicContact CD1-CD1 3.41Å; Y697-F825 VanDerWaalsContact CD1-CD1 3.41Å; Y697-F825 AromaticContact CD1-CE1 3.71Å; Y697-F825 HydrophobicContact CD1-CE1 3.71Å; Y697-F825 AromaticContact CE1-CD1 3.91Å; Y697-F825 HydrophobicContact CE1-CD1 3.91Å; Y697-F825 HydrophobicContact CG-CD1 4.21Å; Y697-F825 HydrophobicContact CG-CE1 4.06Å; L699-F825 HydrophobicContact CD2-CE1 4.19Å; L699-F825 HydrophobicContact CD2-CZ 4Å; A739-F825 HydrophobicContact CB-CZ 4.15Å; L817-F825 HydrophobicContact CB-CB 3.87Å; L817-F825 HydrophobicContact CB-CD1 4.29Å; L817-F825 HydrophobicContact CB-CG 4.1Å; L817-F825 HydrophobicContact CD1-CD1 4.08Å; L817-F825 HydrophobicContact CD1-CE1 4.42Å; N818-F825 PolarHBondContact OD1-N 2.77Å; N818-F825 PolarHBondContact OD1-O 3.19Å; F821-F825 HydrophobicContact CB-CD2 4.28Å; F821-F825 HydrophobicContact CD1-CD2 4.22Å; F821-F825 HydrophobicContact CD1-CE2 4.32Å; F821-F825 HydrophobicContact CD2-CB 4.34Å; F821-F825 AromaticContact CD2-CD2 3.26Å; F821-F825 HydrophobicContact CD2-CD2 3.26Å; F821-F825 AromaticContact CD2-CE2 3.84Å; F821-F825 HydrophobicContact CD2-CE2 3.84Å; F821-F825 HydrophobicContact CD2-CG 4.1Å; F821-F825 HydrophobicContact CE1-CD2 4.41Å; F821-F825 HydrophobicContact CE1-CE2 4.12Å; F821-F825 AromaticContact CE2-CD2 3.51Å; F821-F825 HydrophobicContact CE2-CD2 3.51Å; F821-F825 AromaticContact CE2-CE2 3.62Å; F821-F825 HydrophobicContact CE2-CE2 3.62Å; F821-F825 HydrophobicContact CE2-CG 4.39Å; F821-F825 AromaticContact CG-CD2 3.67Å; F821-F825 HydrophobicContact CG-CD2 3.67Å; F821-F825 HydrophobicContact CG-CE2 4.2Å; F821-F825 HydrophobicContact CZ-CD2 4.09Å; F821-F825 AromaticContact CZ-CE2 3.77Å; F821-F825 HydrophobicContact CZ-CE2 3.77Å; F825-A827 PolarHBondContact O-N 2.76Å | ||
| 826 | P | 72.6 | Confident | 64.8 | Low | 33 Ų | 33 | 79.5 Ų | 79.5 | 21% | 0.214 | 48% | 0.477 | C | S | . | . | trans | -74.9 | 96.6 | -169.8 | 31.5 | -35.9 | 0 | 0 | 0 | 110 | ||||
| 827 | A | 66.7 | Low | 62.1 | Low | 54 Ų | 54 | 86.9 Ų | 86.9 | 45% | 0.446 | 52% | 0.515 | S | S | . | . | trans | -90.9 | 126.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | T696 Y697 F825 A829 | T696-A827 HydrophobicContact CG2-CB 4.44Å; T696-A827 WeakPolarHBondContact O-CA 3.12Å; Y697-A827 HydrophobicContact CD1-CB 4.43Å; Y697-A827 HydrophobicContact CE1-CB 3.98Å; F825-A827 PolarHBondContact O-N 2.76Å; A827-A829 PolarHBondContact O-N 3.01Å; A827-A829 VanDerWaalsContact O-N 3.15Å | ||
| 828 | K | 52.5 | Low | 59.6 | Low | 146 Ų | 146 | 91.9 Ų | 91.9 | 64% | 0.635 | 55% | 0.55 | S | S | * | . | trans | -58.7 | 122.8 | 162.8 | -87.1 | -175.7 | 176.7 | 177.7 | 0 | 107.2 | T696 G830 | T696-K828 PolarHBondContact O-N 3.01Å; K828-G830 PolarHBondContact O-N 3.24Å | ||
| 829 | A | 42.7 | Very low | 57 | Low | 112 Ų | 112 | 93.1 Ų | 93.1 | 93% | 0.926 | 56% | 0.564 | S | S | * | * | trans | -60.8 | 86.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | A827 | A827-A829 PolarHBondContact O-N 3.01Å; A827-A829 VanDerWaalsContact O-N 3.15Å | ||
| 830 | G | 40.6 | Very low | 54.7 | Low | 62 Ų | 62 | 102 Ų | 102 | 64% | 0.639 | 60% | 0.601 | S | S | * | * | trans | -106.1 | 101.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | K828 R832 | K828-G830 PolarHBondContact O-N 3.24Å; G830-R832 PolarHBondContact O-N 2.74Å | ||
| 831 | T | 40 | Very low | 52 | Low | 140 Ų | 140 | 113.2 Ų | 113.2 | 86% | 0.859 | 66% | 0.659 | S | S | * | * | trans | -38.5 | 107.9 | 170 | 41.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 832 | R | 38.9 | Very low | 50.1 | Low | 214 Ų | 214 | 118.5 Ų | 118.5 | 81% | 0.808 | 69% | 0.691 | S | S | * | * | trans | -119.6 | 83.2 | 151.3 | -77.8 | -171.9 | 175.8 | 177 | 1.2 | 107.9 | G830 H834 | G830-R832 PolarHBondContact O-N 2.74Å; R832-H834 PolarHBondContact O-N 3.02Å | ||
| 833 | S | 34.2 | Very low | 48.5 | Very low | 112 Ų | 112 | 118.8 Ų | 118.8 | 78% | 0.783 | 70% | 0.695 | S | S | * | * | trans | -60.7 | 103.6 | 157.3 | 53.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 834 | H | 37 | Very low | 46.9 | Very low | 164 Ų | 164 | 120.2 Ų | 120.2 | 76% | 0.759 | 68% | 0.681 | S | S | * | * | trans | -64.2 | 128.2 | 165.1 | -80.9 | -74.8 | 0 | 0 | 0 | 108 | R832 Q836 | R832-H834 PolarHBondContact O-N 3.02Å; H834-Q836 PolarHBondContact O-N 3.3Å | ||
| 835 | P | 36.9 | Very low | 45 | Very low | 108 Ų | 108 | 126.2 Ų | 126.2 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | trans | -63.1 | 123.8 | 172.8 | 26.1 | -30.3 | 0 | 0 | 0 | 107.7 | I837 | P835-I837 PolarHBondContact O-N 2.92Š| ||
| 836 | Q | 34 | Very low | 42.7 | Very low | 194 Ų | 194 | 133.4 Ų | 133.4 | 91% | 0.907 | 75% | 0.751 | S | S | * | * | trans | -59.8 | 103.6 | 167.8 | -79.2 | -176.3 | -19.1 | 0 | 0 | 107.9 | H834 S838 | H834-Q836 PolarHBondContact O-N 3.3Å; Q836-S838 PolarHBondContact O-N 3.49Å; Q836-S838 VanDerWaalsContact O-N 3.13Å | ||
| 837 | I | 36.2 | Very low | 40.7 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | trans | -77.2 | 97.3 | 164.8 | -59.6 | 175.5 | 0 | 0 | 0 | 105.7 | P835 S839 | P835-I837 PolarHBondContact O-N 2.92Å; I837-S839 PolarHBondContact O-N 2.72Å; I837-S839 VanDerWaalsContact O-N 3.14Å | ||
| 838 | S | 39.8 | Very low | 38.8 | Very low | 104 Ų | 104 | 146.3 Ų | 146.3 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | trans | -65 | 106.6 | 165.6 | 59.1 | 0 | 0 | 0 | 0 | 108.4 | Q836 K840 | Q836-S838 PolarHBondContact O-N 3.49Å; Q836-S838 VanDerWaalsContact O-N 3.13Å; S838-K840 PolarHBondContact O-N 3.13Å; S838-K840 VanDerWaalsContact O-N 3.09Å | ||
| 839 | S | 35.5 | Very low | 37.7 | Very low | 103 Ų | 103 | 146.3 Ų | 146.3 | 72% | 0.72 | 83% | 0.825 | S | S | * | * | trans | -70.4 | 99.3 | 168.4 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | I837 | I837-S839 PolarHBondContact O-N 2.72Å; I837-S839 VanDerWaalsContact O-N 3.14Å | ||
| 840 | K | 41 | Very low | 37.3 | Very low | 199 Ų | 199 | 149.2 Ų | 149.2 | 87% | 0.865 | 82% | 0.816 | S | S | * | * | trans | -88.1 | 97.9 | 149.7 | -83.7 | -172.7 | 177.2 | -179.2 | 0 | 106.6 | S838 | S838-K840 PolarHBondContact O-N 3.13Å; S838-K840 VanDerWaalsContact O-N 3.09Å | ||
| 841 | L | 33.8 | Very low | 37 | Very low | 234 Ų | 234 | 157.1 Ų | 157.1 | 100% | 1.225 | 83% | 0.832 | S | S | * | * | trans | -175.4 | 0 | 149.8 | -99.1 | 158.6 | 0 | 0 | 0 | 108.4 |
Retrieved 841 of 841 residues in 1771.3 ms
(Link to these results)