| 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 | 40.5 | Very low | 78.8 | Confident | 242 Ų | 242 | 61.6 Ų | 61.6 | 100% | 1.192 | 37% | 0.373 | S | S | * | . | 0 | 130.1 | 0 | -79 | -171 | -91 | 0 | 0 | 107.5 | |||||
| 2 | A | 48.1 | Very low | 80.3 | Confident | 103 Ų | 103 | 56.5 Ų | 56.5 | 85% | 0.851 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -60.7 | 137.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||
| 3 | A | 58.5 | Low | 81.6 | Confident | 59 Ų | 59 | 52.4 Ų | 52.4 | 49% | 0.488 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 139.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | I5 T838 | A3-I5 PolarHBondContact O-N 2.93Å; A3-T838 HydrophobicContact CB-CG2 4.31Å |
| 4 | S | 70.9 | Confident | 82.6 | Confident | 59 Ų | 59 | 48.9 Ų | 48.9 | 41% | 0.413 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 133 | 176.5 | 40.3 | 0 | 0 | 0 | 0 | 110.8 | I6 E7 | S4-I6 VanDerWaalsContact C-N 3.34Å; S4-E7 VanDerWaalsContact OG-CG 3.27Å; S4-E7 WeakPolarHBondContact OG-CG 3.4Å; S4-E7 PolarHBondContact OG-OE1 2.9Å |
| 5 | I | 86.6 | Confident | 83.6 | Confident | 51 Ų | 51 | 45.7 Ų | 45.7 | 26% | 0.262 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -65 | -40.6 | 178.8 | -63.9 | 174.2 | 0 | 0 | 0 | 111.1 | A3 L751 G769 V834 N835 L839 | A3-I5 PolarHBondContact O-N 2.93Å; I5-L751 HydrophobicContact CG2-CD1 4.21Å; I5-G769 WeakPolarHBondContact CD1-O 3.15Å; I5-V834 WeakPolarHBondContact O-CA 3.28Å; I5-N835 PolarHBondContact O-N 3.01Å; I5-L839 HydrophobicContact CG2-CD2 3.46Å; I5-L839 VanDerWaalsContact CG2-CD2 3.46Å; I5-L839 HydrophobicContact CG2-CG 3.73Å |
| 6 | I | 91.9 | Very high | 84.4 | Confident | 11 Ų | 11 | 43.5 Ų | 43.5 | 6% | 0.056 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 126.2 | -178.4 | -52.1 | -177.5 | 0 | 0 | 0 | 109.1 | S4 L751 T772 Q776 F832 V834 | S4-I6 VanDerWaalsContact C-N 3.34Å; I6-L751 HydrophobicContact CD1-CD1 3.52Å; I6-L751 HydrophobicContact CD1-CG 3.89Å; I6-L751 HydrophobicContact CG1-CD1 3.68Å; I6-T772 HydrophobicContact CD1-CG2 4.36Å; I6-T772 HydrophobicContact CG2-CG2 4.41Å; I6-Q776 PolarHBondContact O-NE2 2.6Å; I6-F832 HydrophobicContact CG2-CB 3.87Å; I6-F832 HydrophobicContact CG2-CD1 3.74Å; I6-F832 HydrophobicContact CG2-CG 4.03Å; I6-V834 HydrophobicContact CG1-CG2 4.38Å |
| 7 | E | 92.1 | Very high | 84.9 | Confident | 65 Ų | 65 | 47.4 Ų | 47.4 | 30% | 0.304 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123.7 | 175.5 | -67.7 | 176.8 | -175.2 | 0 | 0 | 110.4 | S4 C9 F832 N833 | S4-E7 VanDerWaalsContact OG-CG 3.27Å; S4-E7 WeakPolarHBondContact OG-CG 3.4Å; S4-E7 PolarHBondContact OG-OE1 2.9Å; E7-C9 PolarHBondContact O-N 2.78Å; E7-F832 CarbonylContact O-C 3.53Å; E7-F832 VanDerWaalsContact O-CA 3.28Å; E7-F832 WeakPolarHBondContact O-CA 2.99Å; E7-N833 HydrophobicContact CB-CB 4.33Å; E7-N833 PolarHBondContact N-O 2.82Å; E7-N833 PolarHBondContact O-N 3.49Å |
| 8 | T | 93.3 | Very high | 85.4 | Confident | 44 Ų | 44 | 45.6 Ų | 45.6 | 27% | 0.27 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 113.9 | 172.8 | -51.9 | 0 | 0 | 0 | 0 | 109.8 | V11 Q776 F832 | T8-V11 HydrophobicContact CG2-CG2 3.61Å; T8-Q776 WeakPolarHBondContact OG1-CG 3.37Å; T8-F832 HydrophobicContact CG2-CE1 4.29Å |
| 9 | C | 91.7 | Very high | 85.7 | Confident | 26 Ų | 26 | 44.7 Ų | 44.7 | 18% | 0.176 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | -40.7 | 179.8 | -174.9 | 0 | 0 | 0 | 0 | 111.9 | E7 W424 I831 | E7-C9 PolarHBondContact O-N 2.78Å; C9-W424 PolarHBondContact SG-NE1 2.82Å; C9-W424 VanDerWaalsContact SG-NE1 3.38Å; C9-I831 WeakPolarHBondContact CA-O 3.49Å; C9-I831 HydrophobicContact CB-CG2 4.37Å; C9-I831 VanDerWaalsContact CB-O 3.27Å; C9-I831 WeakPolarHBondContact CB-O 3.44Å; C9-I831 PolarHBondContact N-O 2.89Å |
| 10 | H | 95.4 | Very high | 86.2 | Confident | 11 Ų | 11 | 43.9 Ų | 43.9 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 147 | -177.4 | 179.3 | 60.8 | 0 | 0 | 0 | 111 | F411 W424 K830 I831 | H10-F411 AromaticContact NE2-CD1 3.75Å; H10-W424 HydrophobicContact CB-CB 3.7Å; H10-W424 HydrophobicContact CB-CG 3.85Å; H10-W424 PolarHBondContact CE1-O 2.59Å; H10-W424 WeakPolarHBondContact ND1-CB 3.45Å; H10-W424 PolarHBondContact ND1-O 3.41Å; H10-K830 WeakPolarHBondContact O-CA 3.04Å; H10-I831 HydrophobicContact CB-CB 4.15Å; H10-I831 HydrophobicContact CB-CD1 4.36Å; H10-I831 HydrophobicContact CB-CG1 4.4Å; H10-I831 PolarHBondContact N-O 3.03Å; H10-I831 PolarHBondContact O-N 3.45Å |
| 11 | V | 97.4 | Very high | 86.7 | Confident | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 112.2 | 168.6 | -177.8 | 0 | 0 | 0 | 0 | 106.5 | T8 C13 V48 L51 V829 K830 | T8-V11 HydrophobicContact CG2-CG2 3.61Å; V11-C13 HydrophobicContact CG1-CB 4.28Å; V11-V48 HydrophobicContact CB-CB 4.12Å; V11-V48 HydrophobicContact CB-CG1 4.26Å; V11-V48 HydrophobicContact CB-CG2 4.34Å; V11-L51 HydrophobicContact CG1-CD1 4.01Å; V11-L51 HydrophobicContact CG1-CD2 4.34Å; V11-L51 HydrophobicContact CG2-CD1 4.13Å; V11-V829 WeakPolarHBondContact CA-O 3.23Å; V11-K830 HydrophobicContact CG1-CG 4.37Å; V11-K830 HydrophobicContact CG2-CG 4.28Å |
| 12 | A | 97.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 121 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | S381 F411 S828 V829 | A12-S381 WeakPolarHBondContact CA-O 3.48Å; A12-S381 WeakPolarHBondContact CB-O 3.39Å; A12-F411 HydrophobicContact CB-CD1 4.16Å; A12-F411 HydrophobicContact CB-CE1 3.49Å; A12-F411 VanDerWaalsContact CB-CE1 3.49Å; A12-F411 HydrophobicContact CB-CE2 4.34Å; A12-F411 HydrophobicContact CB-CZ 3.61Å; A12-S828 VanDerWaalsContact O-CA 3.25Å; A12-S828 WeakPolarHBondContact O-CA 3.36Å; A12-S828 WeakPolarHBondContact O-CB 3.47Å; A12-V829 HydrophobicContact CB-CB 4.1Å; A12-V829 PolarHBondContact N-O 3.44Å; A12-V829 PolarHBondContact O-N 3.19Å; A12-V829 VanDerWaalsContact O-N 3.09Å |
| 13 | C | 96.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 26 Ų | 26 | 2% | 0.02 | 15% | 0.147 | C | C | . | . | trans | -156.4 | 159.9 | -179.7 | 59.3 | 0 | 0 | 0 | 0 | 110.2 | V11 T34 | V11-C13 HydrophobicContact CG1-CB 4.28Å; C13-T34 HydrophobicContact CB-CG2 4.21Å; C13-T34 WeakPolarHBondContact CB-OG1 3.48Å | ||
| 14 | S | 95.8 | Very high | 93.5 | Very high | 4 Ų | 4 | 24.1 Ų | 24.1 | 3% | 0.028 | 13% | 0.128 | C | C | . | . | trans | -119.5 | 161 | 179.1 | 60.4 | 0 | 0 | 0 | 0 | 111.4 | T34 G359 H383 F384 | S14-T34 WeakPolarHBondContact O-CB 3.25Å; S14-T34 PolarHBondContact O-OG1 2.93Å; S14-G359 WeakPolarHBondContact CB-O 3.12Å; S14-H383 PolarHBondContact OG-O 3.31Å; S14-F384 WeakPolarHBondContact OG-CA 3.5Å; S14-F384 VanDerWaalsContact OG-CB 3.31Å; S14-F384 WeakPolarHBondContact OG-CB 3.22Å | ||
| 15 | A | 97.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | trans | -69.7 | 145 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V21 V22 F32 G33 H355 G359 L361 | A15-V21 HydrophobicContact CB-CG1 4.19Å; A15-V22 HydrophobicContact CB-CG2 4.24Å; A15-F32 HydrophobicContact CB-CD2 4.06Å; A15-G33 CarbonylContact C-O 3.53Å; A15-G33 WeakPolarHBondContact CA-O 3.27Å; A15-H355 HydrophobicContact CB-CB 4.35Å; A15-G359 PolarHBondContact N-O 2.92Å; A15-G359 WeakPolarHBondContact O-CA 3.49Å; A15-L361 HydrophobicContact CB-CD2 4.17Å | ||
| 16 | N | 97.2 | Very high | 94.9 | Very high | 10 Ų | 10 | 21.1 Ų | 21.1 | 5% | 0.053 | 11% | 0.105 | C | C | . | . | trans | -65.3 | 157.2 | 171.8 | -75.6 | -33.4 | 0 | 0 | 0 | 111.3 | T18 V21 G33 C35 R58 V59 | N16-T18 PolarHBondContact O-N 3.41Å; N16-V21 HydrophobicContact CB-CG2 3.97Å; N16-V21 WeakPolarHBondContact O-CG1 3.27Å; N16-G33 PolarHBondContact N-O 2.72Å; N16-C35 PolarHBondContact ND2-N 3.08Å; N16-C35 PolarHBondContact ND2-O 2.98Å; N16-C35 WeakPolarHBondContact OD1-CA 3.46Å; N16-C35 PolarHBondContact OD1-N 2.84Å; N16-R58 HydrophobicContact CB-CG 4.2Å; N16-R58 WeakPolarHBondContact ND2-CG 3.41Å; N16-V59 PolarHBondContact ND2-O 2.92Å | ||
| 17 | R | 92.4 | Very high | 94.8 | Very high | 110 Ų | 110 | 22.8 Ų | 22.8 | 42% | 0.415 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -84.6 | 59.6 | -173.9 | -57.2 | -171.9 | -79.8 | 166.1 | -5.1 | 111.7 | Y341 F357 | R17-Y341 HydrophobicContact CB-CE2 4.02Å; R17-F357 WeakPolarHBondContact CD-O 3.32Å; R17-F357 WeakPolarHBondContact CG-O 3.29Å |
| 18 | T | 93.4 | Very high | 94.8 | Very high | 15 Ų | 15 | 21 Ų | 21 | 9% | 0.092 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -144.9 | 135.1 | -176.2 | 46.1 | 0 | 0 | 0 | 0 | 110.6 | N16 N20 V21 N60 H355 | N16-T18 PolarHBondContact O-N 3.41Å; T18-N20 PolarHBondContact O-N 3.24Å; T18-V21 VanDerWaalsContact O-CB 3.31Å; T18-V21 WeakPolarHBondContact O-CB 3.29Å; T18-V21 WeakPolarHBondContact O-CG1 3.3Å; T18-V21 PolarHBondContact O-N 2.83Å; T18-V21 WeakPolarHBondContact OG1-CB 3.47Å; T18-N60 WeakPolarHBondContact CB-O 3.26Å; T18-N60 HydrophobicContact CG2-CB 4.14Å; T18-N60 WeakPolarHBondContact OG1-CA 3.34Å; T18-N60 PolarHBondContact OG1-O 3.32Å; T18-H355 PolarHBondContact O-NE2 3.01Å |
| 19 | P | 91.4 | Very high | 94.9 | Very high | 29 Ų | 29 | 20.4 Ų | 20.4 | 19% | 0.188 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -35.6 | -168 | -26.9 | 37.5 | 0 | 0 | 0 | 115.8 | V21 Y283 Y341 H355 | P19-V21 VanDerWaalsContact C-N 3.28Å; P19-V21 PolarHBondContact O-N 3.46Å; P19-Y283 HydrophobicContact CB-CD1 4.33Å; P19-Y283 HydrophobicContact CG-CD1 3.61Å; P19-Y283 HydrophobicContact CG-CE1 4.15Å; P19-Y341 WeakPolarHBondContact CB-O 3.36Å; P19-Y341 HydrophobicContact CG-CD1 4.21Å; P19-H355 PolarHBondContact O-CE1 3.37Å; P19-H355 VanDerWaalsContact O-CE1 3.31Å |
| 20 | N | 95.1 | Very high | 95.2 | Very high | 27 Ų | 27 | 19.1 Ų | 19.1 | 14% | 0.144 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 18.3 | -172.8 | -65.1 | -52.8 | 0 | 0 | 0 | 113.6 | T18 A61 V62 N109 A110 M157 D158 | T18-N20 PolarHBondContact O-N 3.24Å; N20-A61 HydrophobicContact CB-CB 4.01Å; N20-A61 CarbonylContact O-C 3.59Å; N20-A61 VanDerWaalsContact O-CA 3.22Å; N20-A61 WeakPolarHBondContact O-CA 3.23Å; N20-V62 PolarHBondContact O-N 2.73Å; N20-N109 PolarHBondContact ND2-O 3.23Å; N20-A110 HydrophobicContact CB-CB 4.46Å; N20-A110 WeakPolarHBondContact ND2-CB 3.32Å; N20-M157 PolarHBondContact ND2-O 3.34Å; N20-D158 PolarHBondContact OD1-OD1 3.29Å |
| 21 | V | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -90.9 | -7.3 | -166.4 | 80.6 | 0 | 0 | 0 | 0 | 114.7 | A15 N16 T18 P19 F32 G33 | A15-V21 HydrophobicContact CB-CG1 4.19Å; N16-V21 HydrophobicContact CB-CG2 3.97Å; N16-V21 WeakPolarHBondContact O-CG1 3.27Å; T18-V21 VanDerWaalsContact O-CB 3.31Å; T18-V21 WeakPolarHBondContact O-CB 3.29Å; T18-V21 WeakPolarHBondContact O-CG1 3.3Å; T18-V21 PolarHBondContact O-N 2.83Å; T18-V21 WeakPolarHBondContact OG1-CB 3.47Å; P19-V21 VanDerWaalsContact C-N 3.28Å; P19-V21 PolarHBondContact O-N 3.46Å; V21-F32 CarbonylContact O-C 3.51Å; V21-F32 WeakPolarHBondContact O-CA 3.47Å; V21-F32 WeakPolarHBondContact O-CB 3.33Å; V21-G33 VanDerWaalsContact CG2-CA 3.44Å; V21-G33 PolarHBondContact O-N 3.25Å | ||
| 22 | V | 97.6 | Very high | 95.4 | Very high | 12 Ų | 12 | 18.3 Ų | 18.3 | 7% | 0.073 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 132.4 | -177.9 | -173.7 | 0 | 0 | 0 | 0 | 109.5 | A15 V30 F32 Q344 L353 H355 L361 | A15-V22 HydrophobicContact CB-CG2 4.24Å; V22-V30 HydrophobicContact CG1-CG1 3.72Å; V22-F32 HydrophobicContact CB-CB 4.34Å; V22-F32 HydrophobicContact CG1-CB 4.33Å; V22-F32 HydrophobicContact CG2-CB 3.9Å; V22-Q344 HydrophobicContact CG1-CG 4.08Å; V22-L353 HydrophobicContact CG1-CD2 3.83Å; V22-H355 HydrophobicContact CG2-CB 3.95Å; V22-L361 HydrophobicContact CG2-CD2 4.5Å |
| 23 | S | 97.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.007 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 131.3 | 175.1 | -176 | 0 | 0 | 0 | 0 | 111 | A31 V62 W64 | S23-A31 PolarHBondContact N-O 2.83Å; S23-A31 PolarHBondContact O-N 2.78Å; S23-V62 WeakPolarHBondContact CB-O 3.37Å; S23-W64 PolarHBondContact O-NE1 3.1Å; S23-W64 VanDerWaalsContact O-NE1 3.17Å; S23-W64 PolarHBondContact OG-N 3.36Å |
| 24 | W | 96.3 | Very high | 95.4 | Very high | 20 Ų | 20 | 18.4 Ų | 18.4 | 8% | 0.076 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 120.3 | 176.8 | -151.7 | -32 | 0 | 0 | 0 | 110.1 | G28 V30 P43 Q344 M351 L353 L363 | W24-G28 PolarHBondContact NE1-O 2.9Å; W24-V30 HydrophobicContact CB-CG2 4.36Å; W24-V30 HydrophobicContact CD2-CG2 3.52Å; W24-V30 HydrophobicContact CE3-CG2 4.08Å; W24-V30 HydrophobicContact CG-CG2 3.67Å; W24-V30 HydrophobicContact CZ2-CG2 4.23Å; W24-P43 HydrophobicContact CH2-CB 4.45Å; W24-P43 HydrophobicContact CH2-CG 4.19Å; W24-P43 HydrophobicContact CZ2-CB 4.01Å; W24-P43 HydrophobicContact CZ2-CG 3.52Å; W24-Q344 HydrophobicContact CB-CB 3.94Å; W24-Q344 HydrophobicContact CB-CG 4.39Å; W24-Q344 HydrophobicContact CE3-CB 3.99Å; W24-M351 HydrophobicContact CH2-CB 3.71Å; W24-M351 HydrophobicContact CH2-SD 4.43Å; W24-M351 HydrophobicContact CZ2-CB 4.48Å; W24-M351 HydrophobicContact CZ3-CB 4.42Å; W24-L353 HydrophobicContact CE3-CB 3.96Å; W24-L353 HydrophobicContact CE3-CD2 4.46Å; W24-L353 HydrophobicContact CZ3-CB 3.54Å; W24-L363 HydrophobicContact CH2-CD1 3.86Å; W24-L363 HydrophobicContact CZ3-CD1 4.32Å |
| 25 | G | 94.2 | Very high | 95.5 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | trans | -83.5 | 156.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G27 G28 T29 W64 P347 | G25-G27 PolarHBondContact O-N 2.91Å; G25-G28 PolarHBondContact O-N 2.8Å; G25-T29 PolarHBondContact N-O 3.27Å; G25-W64 VanDerWaalsContact CA-CD1 3.44Å; G25-P347 WeakPolarHBondContact O-CG 3.41Å | ||
| 26 | R | 91.1 | Very high | 95.5 | Very high | 45 Ų | 45 | 19.3 Ų | 19.3 | 17% | 0.17 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23.8 | 175.8 | -67.4 | 170.8 | -174.1 | -63.4 | -0.3 | 113 | G28 N70 E73 P347 | R26-G28 PolarHBondContact O-N 2.88Å; R26-N70 WeakPolarHBondContact CD-OD1 3.3Å; R26-N70 VanDerWaalsContact CZ-OD1 3.3Å; R26-N70 PolarHBondContact NE-OD1 3.07Å; R26-N70 PolarHBondContact NH1-OD1 2.88Å; R26-E73 WeakPolarHBondContact CB-OE1 3.33Å; R26-E73 WeakPolarHBondContact CB-OE2 3.5Å; R26-E73 WeakPolarHBondContact CD-OE1 3.26Å; R26-E73 WeakPolarHBondContact CG-OE1 3.16Å; R26-E73 PolarHBondContact N-OE1 3.18Å; R26-E73 VanDerWaalsContact N-OE1 3.12Å; R26-E73 PolarHBondContact N-OE2 3.34Å; R26-E73 IonicContact NE-OE1 3.16Å; R26-P347 WeakPolarHBondContact O-CG 3.46Å |
| 27 | G | 89.7 | Confident | 95.5 | Very high | 47 Ų | 47 | 19 Ų | 19 | 49% | 0.485 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -1.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | G25 T29 | G25-G27 PolarHBondContact O-N 2.91Å; G27-T29 VanDerWaalsContact C-N 3.32Å; G27-T29 PolarHBondContact O-N 2.84Å |
| 28 | G | 92.8 | Very high | 95.8 | Very high | 26 Ų | 26 | 13.8 Ų | 13.8 | 27% | 0.268 | 9% | 0.091 | S | C | . | . | S | Bend | trans | 86.8 | -7.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | W24 G25 R26 P43 | W24-G28 PolarHBondContact NE1-O 2.9Å; G25-G28 PolarHBondContact O-N 2.8Å; R26-G28 PolarHBondContact O-N 2.88Å; G28-P43 VanDerWaalsContact O-CD 3.29Å; G28-P43 WeakPolarHBondContact O-CD 2.88Å |
| 29 | T | 95.4 | Very high | 96.1 | Very high | 32 Ų | 32 | 13 Ų | 13 | 20% | 0.196 | 9% | 0.087 | C | C | . | . | trans | -84.6 | 135.9 | 176.2 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | G25 G27 L40 Y41 W64 | G25-T29 PolarHBondContact N-O 3.27Å; G27-T29 VanDerWaalsContact C-N 3.32Å; G27-T29 PolarHBondContact O-N 2.84Å; T29-L40 HydrophobicContact CG2-CB 4.05Å; T29-Y41 WeakPolarHBondContact CG2-O 3.33Å; T29-W64 HydrophobicContact CG2-CZ2 4.15Å; T29-W64 PolarHBondContact O-NE1 3.04Å | ||
| 30 | V | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 130.3 | 171.6 | -179.8 | 0 | 0 | 0 | 0 | 109 | V22 W24 F32 L40 Y41 P43 L353 | V22-V30 HydrophobicContact CG1-CG1 3.72Å; W24-V30 HydrophobicContact CB-CG2 4.36Å; W24-V30 HydrophobicContact CD2-CG2 3.52Å; W24-V30 HydrophobicContact CE3-CG2 4.08Å; W24-V30 HydrophobicContact CG-CG2 3.67Å; W24-V30 HydrophobicContact CZ2-CG2 4.23Å; V30-F32 HydrophobicContact CG1-CD1 4.39Å; V30-L40 CarbonylContact O-C 3.53Å; V30-L40 WeakPolarHBondContact O-CA 3.4Å; V30-Y41 HydrophobicContact CB-CD1 4.06Å; V30-Y41 HydrophobicContact CG2-CD1 4.24Å; V30-Y41 PolarHBondContact N-O 2.93Å; V30-Y41 PolarHBondContact O-N 3.35Å; V30-P43 HydrophobicContact CG2-CG 3.71Å; V30-L353 HydrophobicContact CG1-CD2 3.92Å; V30-L353 HydrophobicContact CG2-CD2 4.21Å |
| 31 | A | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 129.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | S23 V38 A39 L40 V62 W64 V76 | S23-A31 PolarHBondContact N-O 2.83Å; S23-A31 PolarHBondContact O-N 2.78Å; A31-V38 HydrophobicContact CB-CG1 4.23Å; A31-A39 CarbonylContact C-O 3.59Å; A31-A39 WeakPolarHBondContact CA-O 3.5Å; A31-L40 HydrophobicContact CB-CD2 3.62Å; A31-V62 HydrophobicContact CB-CG1 3.67Å; A31-W64 HydrophobicContact CB-CZ2 4.1Å; A31-V76 HydrophobicContact CB-CG1 4.25Å |
| 32 | F | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 147.2 | 174.3 | 68.1 | -87.9 | 0 | 0 | 0 | 114 | A15 V21 V22 V30 T34 V38 A39 L361 I380 | A15-F32 HydrophobicContact CB-CD2 4.06Å; V21-F32 CarbonylContact O-C 3.51Å; V21-F32 WeakPolarHBondContact O-CA 3.47Å; V21-F32 WeakPolarHBondContact O-CB 3.33Å; V22-F32 HydrophobicContact CB-CB 4.34Å; V22-F32 HydrophobicContact CG1-CB 4.33Å; V22-F32 HydrophobicContact CG2-CB 3.9Å; V30-F32 HydrophobicContact CG1-CD1 4.39Å; F32-T34 HydrophobicContact CE2-CG2 4.44Å; F32-V38 CarbonylContact O-C 3.59Å; F32-V38 WeakPolarHBondContact O-CA 3.32Å; F32-A39 HydrophobicContact CD1-CB 4.11Å; F32-A39 HydrophobicContact CD2-CB 4.23Å; F32-A39 HydrophobicContact CE1-CB 3.64Å; F32-A39 HydrophobicContact CE2-CB 3.78Å; F32-A39 HydrophobicContact CG-CB 4.4Å; F32-A39 HydrophobicContact CZ-CB 3.46Å; F32-A39 VanDerWaalsContact CZ-CB 3.46Å; F32-A39 PolarHBondContact N-O 2.93Å; F32-A39 PolarHBondContact O-N 3.29Å; F32-L361 HydrophobicContact CD1-CD1 4.37Å; F32-L361 HydrophobicContact CE1-CD1 4.14Å; F32-L361 HydrophobicContact CZ-CD1 4.42Å; F32-I380 HydrophobicContact CE1-CD1 3.8Å; F32-I380 HydrophobicContact CZ-CD1 3.66Å |
| 33 | G | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 131.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A15 N16 V21 S37 | A15-G33 CarbonylContact C-O 3.53Å; A15-G33 WeakPolarHBondContact CA-O 3.27Å; N16-G33 PolarHBondContact N-O 2.72Å; V21-G33 VanDerWaalsContact CG2-CA 3.44Å; V21-G33 PolarHBondContact O-N 3.25Å; G33-S37 CarbonylContact C-O 3.57Å; G33-S37 WeakPolarHBondContact CA-O 3.48Å |
| 34 | T | 97.6 | Very high | 95.9 | Very high | 6 Ų | 6 | 17.5 Ų | 17.5 | 4% | 0.037 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 115 | 176.5 | -172.7 | 0 | 0 | 0 | 0 | 110.2 | C13 S14 F32 N36 S37 A39 L51 | C13-T34 HydrophobicContact CB-CG2 4.21Å; C13-T34 WeakPolarHBondContact CB-OG1 3.48Å; S14-T34 WeakPolarHBondContact O-CB 3.25Å; S14-T34 PolarHBondContact O-OG1 2.93Å; F32-T34 HydrophobicContact CE2-CG2 4.44Å; T34-N36 PolarHBondContact O-N 3.2Å; T34-N36 VanDerWaalsContact O-N 3.08Å; T34-S37 PolarHBondContact N-O 3.34Å; T34-S37 PolarHBondContact O-N 2.84Å; T34-A39 HydrophobicContact CG2-CB 3.97Å; T34-L51 HydrophobicContact CG2-CD2 4.38Å |
| 35 | C | 97.3 | Very high | 95.6 | Very high | 7 Ų | 7 | 20.8 Ų | 20.8 | 5% | 0.047 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.7 | -116.9 | -166.5 | -167.6 | 0 | 0 | 0 | 0 | 110.6 | N16 R58 V59 D826 | N16-C35 PolarHBondContact ND2-N 3.08Å; N16-C35 PolarHBondContact ND2-O 2.98Å; N16-C35 WeakPolarHBondContact OD1-CA 3.46Å; N16-C35 PolarHBondContact OD1-N 2.84Å; C35-R58 CarbonylContact O-C 3.54Å; C35-R58 VanDerWaalsContact O-CA 3.31Å; C35-R58 WeakPolarHBondContact O-CA 3.46Å; C35-V59 PolarHBondContact O-N 3.29Å; C35-D826 HydrophobicContact CB-CB 4.27Å; C35-D826 VanDerWaalsContact CB-O 3.28Å; C35-D826 WeakPolarHBondContact CB-O 3.22Å |
| 36 | N | 97.7 | Very high | 95.5 | Very high | 17 Ų | 17 | 22.3 Ų | 22.3 | 9% | 0.091 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 9.9 | 179.1 | -63.3 | -4.8 | 0 | 0 | 0 | 114.1 | T34 H55 G57 R58 T779 | T34-N36 PolarHBondContact O-N 3.2Å; T34-N36 VanDerWaalsContact O-N 3.08Å; N36-H55 WeakPolarHBondContact O-CB 3.32Å; N36-G57 WeakPolarHBondContact OD1-CA 3.48Å; N36-G57 PolarHBondContact OD1-O 3.23Å; N36-R58 PolarHBondContact OD1-N 3.45Å; N36-R58 VanDerWaalsContact OD1-N 3.17Å; N36-T779 HydrophobicContact CB-CG2 4.41Å |
| 37 | S | 97.9 | Very high | 95.6 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 162 | -173.8 | -41.9 | 0 | 0 | 0 | 0 | 111.4 | G33 T34 L52 N53 T779 | G33-S37 CarbonylContact C-O 3.57Å; G33-S37 WeakPolarHBondContact CA-O 3.48Å; T34-S37 PolarHBondContact N-O 3.34Å; T34-S37 PolarHBondContact O-N 2.84Å; S37-L52 WeakPolarHBondContact CA-O 3.29Å; S37-N53 VanDerWaalsContact CB-OD1 3.28Å; S37-N53 WeakPolarHBondContact CB-OD1 3.22Å; S37-N53 PolarHBondContact OG-OD1 2.82Å; S37-T779 WeakPolarHBondContact OG-CG2 3.42Å |
| 38 | V | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 120.2 | 161.9 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | A31 F32 L51 L52 V59 V62 | A31-V38 HydrophobicContact CB-CG1 4.23Å; F32-V38 CarbonylContact O-C 3.59Å; F32-V38 WeakPolarHBondContact O-CA 3.32Å; V38-L51 CarbonylContact O-C 3.58Å; V38-L51 WeakPolarHBondContact O-CA 3.37Å; V38-L52 HydrophobicContact CB-CB 4.06Å; V38-L52 HydrophobicContact CB-CD1 4.18Å; V38-L52 HydrophobicContact CB-CG 4.22Å; V38-L52 HydrophobicContact CG1-CD1 4.27Å; V38-L52 PolarHBondContact N-O 2.92Å; V38-L52 PolarHBondContact O-N 2.94Å; V38-V59 HydrophobicContact CG2-CG1 4.18Å; V38-V59 HydrophobicContact CG2-CG2 4.42Å; V38-V62 HydrophobicContact CG1-CG1 3.95Å; V38-V62 HydrophobicContact CG1-CG2 4.18Å; V38-V62 HydrophobicContact CG2-CG2 4.02Å |
| 39 | A | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 132.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | A31 F32 T34 V48 L51 | A31-A39 CarbonylContact C-O 3.59Å; A31-A39 WeakPolarHBondContact CA-O 3.5Å; F32-A39 HydrophobicContact CD1-CB 4.11Å; F32-A39 HydrophobicContact CD2-CB 4.23Å; F32-A39 HydrophobicContact CE1-CB 3.64Å; F32-A39 HydrophobicContact CE2-CB 3.78Å; F32-A39 HydrophobicContact CG-CB 4.4Å; F32-A39 HydrophobicContact CZ-CB 3.46Å; F32-A39 VanDerWaalsContact CZ-CB 3.46Å; F32-A39 PolarHBondContact N-O 2.93Å; F32-A39 PolarHBondContact O-N 3.29Å; T34-A39 HydrophobicContact CG2-CB 3.97Å; A39-V48 HydrophobicContact CB-CG1 4.3Å; A39-L51 HydrophobicContact CB-CD2 3.84Å |
| 40 | L | 97.6 | Very high | 95.9 | Very high | 5 Ų | 5 | 22.9 Ų | 22.9 | 3% | 0.026 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 117 | 166.4 | -58.7 | -173.3 | 0 | 0 | 0 | 108.2 | T29 V30 A31 V48 V49 A50 L52 W64 F95 | T29-L40 HydrophobicContact CG2-CB 4.05Å; V30-L40 CarbonylContact O-C 3.53Å; V30-L40 WeakPolarHBondContact O-CA 3.4Å; A31-L40 HydrophobicContact CB-CD2 3.62Å; L40-V48 CarbonylContact O-C 3.57Å; L40-V48 WeakPolarHBondContact O-CA 3.41Å; L40-V49 HydrophobicContact CB-CG2 3.87Å; L40-V49 VanDerWaalsContact O-CG2 3.32Å; L40-V49 WeakPolarHBondContact O-CG2 3.36Å; L40-V49 PolarHBondContact O-N 3.29Å; L40-A50 HydrophobicContact CB-CB 4.26Å; L40-A50 HydrophobicContact CD1-CB 4.19Å; L40-A50 HydrophobicContact CG-CB 4.43Å; L40-A50 PolarHBondContact N-O 2.86Å; L40-A50 PolarHBondContact O-N 2.81Å; L40-L52 HydrophobicContact CD1-CD1 4.46Å; L40-L52 HydrophobicContact CD1-CD2 4.27Å; L40-L52 HydrophobicContact CD2-CD1 4.36Å; L40-L52 HydrophobicContact CG-CD1 4.4Å; L40-L52 HydrophobicContact CG-CG 4.43Å; L40-W64 HydrophobicContact CD2-CZ2 4.21Å; L40-F95 HydrophobicContact CD1-CB 4.47Å; L40-F95 HydrophobicContact CD1-CD2 3.33Å; L40-F95 HydrophobicContact CD1-CE2 3.6Å; L40-F95 HydrophobicContact CD1-CG 3.93Å; L40-F95 HydrophobicContact CD1-CZ 4.38Å |
| 41 | Y | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 132.1 | -177.3 | 167.2 | -116.2 | 0 | 0 | 0 | 110.3 | T29 V30 P43 R47 V379 I380 | T29-Y41 WeakPolarHBondContact CG2-O 3.33Å; V30-Y41 HydrophobicContact CB-CD1 4.06Å; V30-Y41 HydrophobicContact CG2-CD1 4.24Å; V30-Y41 PolarHBondContact N-O 2.93Å; V30-Y41 PolarHBondContact O-N 3.35Å; Y41-P43 HydrophobicContact CD1-CG 3.96Å; Y41-P43 HydrophobicContact CE1-CB 3.94Å; Y41-P43 HydrophobicContact CE1-CG 3.69Å; Y41-P43 WeakPolarHBondContact O-CD 3.45Å; Y41-R47 WeakPolarHBondContact CD2-O 3.41Å; Y41-V379 HydrophobicContact CE1-CG2 4.2Å; Y41-I380 HydrophobicContact CD2-CB 4.48Å; Y41-I380 HydrophobicContact CD2-CD1 3.64Å; Y41-I380 HydrophobicContact CD2-CG1 3.83Å; Y41-I380 HydrophobicContact CD2-CG2 3.87Å; Y41-I380 HydrophobicContact CE2-CB 4.21Å; Y41-I380 HydrophobicContact CE2-CD1 4.18Å; Y41-I380 HydrophobicContact CE2-CG1 3.83Å; Y41-I380 HydrophobicContact CE2-CG2 3.52Å; Y41-I380 HydrophobicContact CG-CD1 3.93Å; Y41-I380 HydrophobicContact CG-CG1 4.29Å |
| 42 | D | 95 | Very high | 95.8 | Very high | 35 Ų | 35 | 23.4 Ų | 23.4 | 19% | 0.187 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 110.8 | 172.5 | -173.7 | -36.8 | 0 | 0 | 0 | 109.1 | Q44 E45 R46 R47 V49 | D42-Q44 VanDerWaalsContact C-N 3.29Å; D42-Q44 PolarHBondContact O-N 2.91Å; D42-Q44 WeakPolarHBondContact OD1-CA 3.45Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.38Å; D42-Q44 PolarHBondContact OD1-N 3.38Å; D42-E45 HydrophobicContact CB-CB 4.08Å; D42-E45 HydrophobicContact CB-CG 4.41Å; D42-E45 PolarHBondContact OD1-N 3.05Å; D42-R46 VanDerWaalsContact O-CA 3.32Å; D42-R46 WeakPolarHBondContact O-CA 3.34Å; D42-R46 PolarHBondContact O-N 2.87Å; D42-R47 PolarHBondContact N-O 3.38Å; D42-R47 PolarHBondContact O-N 3.19Å; D42-V49 HydrophobicContact CB-CG1 3.76Å |
| 43 | P | 94.2 | Very high | 95.7 | Very high | 5 Ų | 5 | 24.2 Ų | 24.2 | 3% | 0.032 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -24.9 | 179 | -22.8 | 36.1 | 0 | 0 | 0 | 114.5 | W24 G28 V30 Y41 R46 | W24-P43 HydrophobicContact CH2-CB 4.45Å; W24-P43 HydrophobicContact CH2-CG 4.19Å; W24-P43 HydrophobicContact CZ2-CB 4.01Å; W24-P43 HydrophobicContact CZ2-CG 3.52Å; G28-P43 VanDerWaalsContact O-CD 3.29Å; G28-P43 WeakPolarHBondContact O-CD 2.88Å; V30-P43 HydrophobicContact CG2-CG 3.71Å; Y41-P43 HydrophobicContact CD1-CG 3.96Å; Y41-P43 HydrophobicContact CE1-CB 3.94Å; Y41-P43 HydrophobicContact CE1-CG 3.69Å; Y41-P43 WeakPolarHBondContact O-CD 3.45Å; P43-R46 WeakPolarHBondContact O-CG 3.04Å |
| 44 | Q | 90.8 | Very high | 95.5 | Very high | 117 Ų | 117 | 25.5 Ų | 25.5 | 55% | 0.547 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -44.5 | 178.5 | -63.1 | -65.8 | -14.8 | 0 | 0 | 110.9 | D42 R46 | D42-Q44 VanDerWaalsContact C-N 3.29Å; D42-Q44 PolarHBondContact O-N 2.91Å; D42-Q44 WeakPolarHBondContact OD1-CA 3.45Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.38Å; D42-Q44 PolarHBondContact OD1-N 3.38Å; Q44-R46 VanDerWaalsContact C-N 3.26Å |
| 45 | E | 89.6 | Confident | 95.4 | Very high | 90 Ų | 90 | 25.6 Ų | 25.6 | 42% | 0.421 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -15.1 | 173.6 | -63.2 | -165.4 | 160.5 | 0 | 0 | 112.9 | D42 R47 | D42-E45 HydrophobicContact CB-CB 4.08Å; D42-E45 HydrophobicContact CB-CG 4.41Å; D42-E45 PolarHBondContact OD1-N 3.05Å; E45-R47 VanDerWaalsContact C-N 3.32Å; E45-R47 HydrophobicContact CB-CG 4.02Å; E45-R47 PolarHBondContact O-N 3.41Å; E45-R47 IonicContact OE1-NH2 3.06Å; E45-R47 IonicContact OE2-CZ 3.79Å; E45-R47 IonicContact OE2-NE 3.29Å; E45-R47 PolarHBondContact OE2-NE 2.82Å; E45-R47 IonicContact OE2-NH2 2.95Å; E45-R47 PolarHBondContact OE2-NH2 2.85Å |
| 46 | R | 92.1 | Very high | 95.4 | Very high | 34 Ų | 34 | 32.8 Ų | 32.8 | 13% | 0.128 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 45.5 | -176.9 | -54.5 | 170.4 | 174.4 | -169.1 | 0.2 | 111.7 | D42 P43 Q44 H425 E541 | D42-R46 VanDerWaalsContact O-CA 3.32Å; D42-R46 WeakPolarHBondContact O-CA 3.34Å; D42-R46 PolarHBondContact O-N 2.87Å; P43-R46 WeakPolarHBondContact O-CG 3.04Å; Q44-R46 VanDerWaalsContact C-N 3.26Å; R46-H425 PolarHBondContact O-CE1 3.39Å; R46-E541 IonicContact CZ-OE2 3.56Å; R46-E541 IonicContact NH1-OE2 3.4Å; R46-E541 PolarHBondContact NH1-OE2 3.47Å; R46-E541 IonicContact NH2-OE2 2.78Å |
| 47 | R | 93.7 | Very high | 95.3 | Very high | 51 Ų | 51 | 32.7 Ų | 32.7 | 19% | 0.192 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 154.9 | 177.3 | 70.6 | 179.7 | -179.1 | 110.5 | 8 | 113.2 | Y41 D42 E45 V49 R421 T423 | Y41-R47 WeakPolarHBondContact CD2-O 3.41Å; D42-R47 PolarHBondContact N-O 3.38Å; D42-R47 PolarHBondContact O-N 3.19Å; E45-R47 VanDerWaalsContact C-N 3.32Å; E45-R47 HydrophobicContact CB-CG 4.02Å; E45-R47 PolarHBondContact O-N 3.41Å; E45-R47 IonicContact OE1-NH2 3.06Å; E45-R47 IonicContact OE2-CZ 3.79Å; E45-R47 IonicContact OE2-NE 3.29Å; E45-R47 PolarHBondContact OE2-NE 2.82Å; E45-R47 IonicContact OE2-NH2 2.95Å; E45-R47 PolarHBondContact OE2-NH2 2.85Å; R47-V49 HydrophobicContact CG-CG1 4.2Å; R47-V49 PolarHBondContact O-N 2.87Å; R47-R421 VanDerWaalsContact CZ-NH1 3.29Å; R47-T423 HydrophobicContact CB-CG2 4.41Å |
| 48 | V | 96.6 | Very high | 95.3 | Very high | 17 Ų | 17 | 37.4 Ų | 37.4 | 10% | 0.103 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 122.4 | 165 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | V11 A39 L40 A50 L51 I380 | V11-V48 HydrophobicContact CB-CB 4.12Å; V11-V48 HydrophobicContact CB-CG1 4.26Å; V11-V48 HydrophobicContact CB-CG2 4.34Å; A39-V48 HydrophobicContact CB-CG1 4.3Å; L40-V48 CarbonylContact O-C 3.57Å; L40-V48 WeakPolarHBondContact O-CA 3.41Å; V48-A50 WeakPolarHBondContact CG1-O 3.42Å; V48-L51 HydrophobicContact CG1-CD2 4.21Å; V48-L51 HydrophobicContact CG1-CG 4.44Å; V48-I380 HydrophobicContact CG2-CD1 3.59Å |
| 49 | V | 94.1 | Very high | 95.3 | Very high | 61 Ų | 61 | 37.4 Ų | 37.4 | 37% | 0.37 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -27.4 | -178.6 | -63.7 | 0 | 0 | 0 | 0 | 112.5 | L40 D42 R47 | L40-V49 HydrophobicContact CB-CG2 3.87Å; L40-V49 VanDerWaalsContact O-CG2 3.32Å; L40-V49 WeakPolarHBondContact O-CG2 3.36Å; L40-V49 PolarHBondContact O-N 3.29Å; D42-V49 HydrophobicContact CB-CG1 3.76Å; R47-V49 HydrophobicContact CG-CG1 4.2Å; R47-V49 PolarHBondContact O-N 2.87Å |
| 50 | A | 94.5 | Very high | 95.3 | Very high | 32 Ų | 32 | 37.5 Ų | 37.5 | 26% | 0.264 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 157.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L40 V48 | L40-A50 HydrophobicContact CB-CB 4.26Å; L40-A50 HydrophobicContact CD1-CB 4.19Å; L40-A50 HydrophobicContact CG-CB 4.43Å; L40-A50 PolarHBondContact N-O 2.86Å; L40-A50 PolarHBondContact O-N 2.81Å; V48-A50 WeakPolarHBondContact CG1-O 3.42Å |
| 51 | L | 96.2 | Very high | 95.3 | Very high | 11 Ų | 11 | 37.3 Ų | 37.3 | 6% | 0.058 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 134.8 | 167.8 | -68.6 | 172.3 | 0 | 0 | 0 | 108.9 | V11 T34 V38 A39 V48 L775 K830 | V11-L51 HydrophobicContact CG1-CD1 4.01Å; V11-L51 HydrophobicContact CG1-CD2 4.34Å; V11-L51 HydrophobicContact CG2-CD1 4.13Å; T34-L51 HydrophobicContact CG2-CD2 4.38Å; V38-L51 CarbonylContact O-C 3.58Å; V38-L51 WeakPolarHBondContact O-CA 3.37Å; A39-L51 HydrophobicContact CB-CD2 3.84Å; V48-L51 HydrophobicContact CG1-CD2 4.21Å; V48-L51 HydrophobicContact CG1-CG 4.44Å; L51-L775 VanDerWaalsContact O-CD2 3.23Å; L51-L775 WeakPolarHBondContact O-CD2 3.44Å; L51-K830 VanDerWaalsContact CD1-NZ 3.29Å |
| 52 | L | 97.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 100.6 | 177.4 | -39.9 | -177.2 | 0 | 0 | 0 | 108 | S37 V38 L40 W88 F95 | S37-L52 WeakPolarHBondContact CA-O 3.29Å; V38-L52 HydrophobicContact CB-CB 4.06Å; V38-L52 HydrophobicContact CB-CD1 4.18Å; V38-L52 HydrophobicContact CB-CG 4.22Å; V38-L52 HydrophobicContact CG1-CD1 4.27Å; V38-L52 PolarHBondContact N-O 2.92Å; V38-L52 PolarHBondContact O-N 2.94Å; L40-L52 HydrophobicContact CD1-CD1 4.46Å; L40-L52 HydrophobicContact CD1-CD2 4.27Å; L40-L52 HydrophobicContact CD2-CD1 4.36Å; L40-L52 HydrophobicContact CG-CD1 4.4Å; L40-L52 HydrophobicContact CG-CG 4.43Å; L52-W88 HydrophobicContact CB-CD2 3.89Å; L52-W88 HydrophobicContact CB-CE3 3.75Å; L52-W88 HydrophobicContact CB-CH2 3.8Å; L52-W88 HydrophobicContact CB-CZ2 3.94Å; L52-W88 HydrophobicContact CB-CZ3 3.71Å; L52-W88 HydrophobicContact CD1-CB 4.01Å; L52-W88 HydrophobicContact CD1-CD2 3.77Å; L52-W88 HydrophobicContact CD1-CE3 4.14Å; L52-W88 HydrophobicContact CD1-CG 3.69Å; L52-W88 HydrophobicContact CG-CD2 4.42Å; L52-W88 HydrophobicContact CG-CE3 4.41Å; L52-F95 HydrophobicContact CD1-CB 4.13Å; L52-F95 HydrophobicContact CD1-CG 4.47Å; L52-F95 HydrophobicContact CD2-CB 3.39Å; L52-F95 HydrophobicContact CD2-CG 4.31Å; L52-F95 HydrophobicContact CG-CB 4.43Å |
| 53 | N | 95.7 | Very high | 95.5 | Very high | 16 Ų | 16 | 37 Ų | 37 | 9% | 0.086 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 120.7 | -176.2 | -66.9 | -5.4 | 0 | 0 | 0 | 109.2 | S37 T774 S777 T779 | S37-N53 VanDerWaalsContact CB-OD1 3.28Å; S37-N53 WeakPolarHBondContact CB-OD1 3.22Å; S37-N53 PolarHBondContact OG-OD1 2.82Å; N53-T774 HydrophobicContact CB-CG2 4.25Å; N53-T774 WeakPolarHBondContact CB-O 3.12Å; N53-T774 PolarHBondContact ND2-O 3.11Å; N53-S777 PolarHBondContact ND2-O 3.48Å; N53-T779 HydrophobicContact CB-CG2 3.86Å; N53-T779 VanDerWaalsContact CG-CG2 3.46Å |
| 54 | G | 93.7 | Very high | 95.6 | Very high | 27 Ų | 27 | 37.2 Ų | 37.2 | 28% | 0.278 | 19% | 0.185 | S | C | . | . | trans | -169.4 | -30.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 55 | H | 96.8 | Very high | 95.8 | Very high | 9 Ų | 9 | 31.6 Ų | 31.6 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | trans | -69.5 | 147.6 | 173.1 | -73.6 | -81.9 | 0 | 0 | 0 | 111.7 | N36 G57 V59 S78 D82 R84 | N36-H55 WeakPolarHBondContact O-CB 3.32Å; H55-G57 WeakPolarHBondContact CB-O 3.24Å; H55-V59 HydrophobicContact CB-CG2 4.15Å; H55-S78 PolarHBondContact NE2-OG 2.86Å; H55-D82 VanDerWaalsContact CA-OD2 3.22Å; H55-D82 WeakPolarHBondContact CA-OD2 2.95Å; H55-D82 WeakPolarHBondContact CB-OD2 3.19Å; H55-D82 IonicContact CE1-OD1 3.66Å; H55-D82 IonicContact CG-OD1 3.94Å; H55-D82 IonicContact CG-OD2 3.6Å; H55-D82 IonicContact ND1-OD1 2.82Å; H55-D82 PolarHBondContact ND1-OD1 2.96Å; H55-D82 IonicContact ND1-OD2 2.95Å; H55-D82 PolarHBondContact ND1-OD2 2.81Å; H55-D82 VanDerWaalsContact ND1-OD2 3.16Å; H55-R84 PolarHBondContact CE1-O 2.9Å | ||
| 56 | K | 95.9 | Very high | 95.4 | Very high | 158 Ų | 158 | 29.6 Ų | 29.6 | 69% | 0.687 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -100.1 | -4.7 | 175.1 | -62.7 | -172.6 | 179.2 | -172 | 0 | 113.2 | D82 | K56-D82 HydrophobicContact CB-CB 4.26Å; K56-D82 PolarHBondContact N-OD2 2.95Å |
| 57 | G | 97 | Very high | 94.8 | Very high | 14 Ų | 14 | 29.9 Ų | 29.9 | 14% | 0.144 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -139.1 | 174.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | N36 H55 V59 | N36-G57 WeakPolarHBondContact OD1-CA 3.48Å; N36-G57 PolarHBondContact OD1-O 3.23Å; H55-G57 WeakPolarHBondContact CB-O 3.24Å; G57-V59 PolarHBondContact O-N 2.92Å |
| 58 | R | 97.8 | Very high | 93.9 | Very high | 103 Ų | 103 | 33.4 Ų | 33.4 | 39% | 0.389 | 17% | 0.169 | S | C | . | . | trans | -54.4 | 130.4 | -175.4 | -173.4 | -176.2 | 69.3 | -170.2 | 0.7 | 111.4 | N16 C35 N36 N60 G80 S81 | N16-R58 HydrophobicContact CB-CG 4.2Å; N16-R58 WeakPolarHBondContact ND2-CG 3.41Å; C35-R58 CarbonylContact O-C 3.54Å; C35-R58 VanDerWaalsContact O-CA 3.31Å; C35-R58 WeakPolarHBondContact O-CA 3.46Å; N36-R58 PolarHBondContact OD1-N 3.45Å; N36-R58 VanDerWaalsContact OD1-N 3.17Å; R58-N60 PolarHBondContact NE-OD1 2.84Å; R58-N60 PolarHBondContact NH2-OD1 2.81Å; R58-N60 PolarHBondContact O-N 2.57Å; R58-G80 CarbonylContact O-C 3.47Å; R58-G80 VanDerWaalsContact O-CA 3.32Å; R58-G80 WeakPolarHBondContact O-CA 3.49Å; R58-S81 PolarHBondContact O-N 2.85Å; R58-S81 PolarHBondContact O-OG 2.93Å | ||
| 59 | V | 98.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 120.8 | 170.8 | -179.6 | 0 | 0 | 0 | 0 | 109 | N16 C35 V38 H55 G57 V62 | N16-V59 PolarHBondContact ND2-O 2.92Å; C35-V59 PolarHBondContact O-N 3.29Å; V38-V59 HydrophobicContact CG2-CG1 4.18Å; V38-V59 HydrophobicContact CG2-CG2 4.42Å; H55-V59 HydrophobicContact CB-CG2 4.15Å; G57-V59 PolarHBondContact O-N 2.92Å; V59-V62 HydrophobicContact CG1-CG2 3.64Å |
| 60 | N | 97.8 | Very high | 91.8 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.011 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -26.6 | -177.3 | -61.6 | -39.7 | 0 | 0 | 0 | 112.6 | T18 R58 G79 S81 V108 | T18-N60 WeakPolarHBondContact CB-O 3.26Å; T18-N60 HydrophobicContact CG2-CB 4.14Å; T18-N60 WeakPolarHBondContact OG1-CA 3.34Å; T18-N60 PolarHBondContact OG1-O 3.32Å; R58-N60 PolarHBondContact NE-OD1 2.84Å; R58-N60 PolarHBondContact NH2-OD1 2.81Å; R58-N60 PolarHBondContact O-N 2.57Å; N60-G79 PolarHBondContact N-O 3.09Å; N60-S81 PolarHBondContact ND2-N 3.01Å; N60-S81 PolarHBondContact ND2-OG 3.31Å; N60-S81 PolarHBondContact OD1-OG 2.87Å; N60-V108 WeakPolarHBondContact CB-O 3.45Å; N60-V108 PolarHBondContact ND2-O 3.22Å |
| 61 | A | 97.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 140.8 | -177 | 0 | 0 | 0 | 0 | 0 | 111.7 | N20 S78 G79 V111 | N20-A61 HydrophobicContact CB-CB 4.01Å; N20-A61 CarbonylContact O-C 3.59Å; N20-A61 VanDerWaalsContact O-CA 3.22Å; N20-A61 WeakPolarHBondContact O-CA 3.23Å; A61-S78 CarbonylContact O-C 3.54Å; A61-S78 VanDerWaalsContact O-CA 3.23Å; A61-S78 WeakPolarHBondContact O-CA 3.42Å; A61-G79 PolarHBondContact N-O 2.84Å; A61-G79 VanDerWaalsContact N-O 3.15Å; A61-G79 PolarHBondContact O-N 2.85Å; A61-V111 HydrophobicContact CB-CG1 4.35Å; A61-V111 HydrophobicContact CB-CG2 3.87Å |
| 62 | V | 98.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 133.7 | 176.9 | -179.2 | 0 | 0 | 0 | 0 | 109 | N20 S23 A31 V38 V59 V76 V77 | N20-V62 PolarHBondContact O-N 2.73Å; S23-V62 WeakPolarHBondContact CB-O 3.37Å; A31-V62 HydrophobicContact CB-CG1 3.67Å; V38-V62 HydrophobicContact CG1-CG1 3.95Å; V38-V62 HydrophobicContact CG1-CG2 4.18Å; V38-V62 HydrophobicContact CG2-CG2 4.02Å; V59-V62 HydrophobicContact CG1-CG2 3.64Å; V62-V76 HydrophobicContact CG1-CG1 3.69Å; V62-V77 CarbonylContact C-O 3.59Å; V62-V77 WeakPolarHBondContact CA-O 3.47Å |
| 63 | K | 97.6 | Very high | 90.3 | Very high | 26 Ų | 26 | 39.1 Ų | 39.1 | 11% | 0.113 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 133.8 | 178.5 | -162 | 56.7 | 147.2 | 135.8 | 0 | 111.5 | H66 V77 V111 D112 | K63-H66 WeakPolarHBondContact CE-CE1 3.44Å; K63-H66 PolarHBondContact NZ-CE1 2.8Å; K63-H66 PolarHBondContact NZ-NE2 2.71Å; K63-V77 PolarHBondContact N-O 2.94Å; K63-V77 PolarHBondContact O-N 3Å; K63-V111 HydrophobicContact CB-CG2 4.06Å; K63-D112 WeakPolarHBondContact CE-OD1 3.38Å; K63-D112 WeakPolarHBondContact CG-OD1 3.42Å |
| 64 | W | 96.2 | Very high | 90.1 | Very high | 9 Ų | 9 | 46.1 Ų | 46.1 | 3% | 0.034 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 139.7 | 165.9 | -72.3 | 97.7 | 0 | 0 | 0 | 110.1 | S23 G25 T29 A31 L40 H66 E73 V76 F95 | S23-W64 PolarHBondContact O-NE1 3.1Å; S23-W64 VanDerWaalsContact O-NE1 3.17Å; S23-W64 PolarHBondContact OG-N 3.36Å; G25-W64 VanDerWaalsContact CA-CD1 3.44Å; T29-W64 HydrophobicContact CG2-CZ2 4.15Å; T29-W64 PolarHBondContact O-NE1 3.04Å; A31-W64 HydrophobicContact CB-CZ2 4.1Å; L40-W64 HydrophobicContact CD2-CZ2 4.21Å; W64-H66 PolarHBondContact O-CE1 3.02Å; W64-H66 VanDerWaalsContact O-CE1 3.29Å; W64-H66 PolarHBondContact O-N 2.86Å; W64-H66 PolarHBondContact O-ND1 3.4Å; W64-E73 HydrophobicContact CB-CG 4.16Å; W64-E73 HydrophobicContact CD2-CB 4.45Å; W64-E73 HydrophobicContact CE3-CB 3.57Å; W64-E73 HydrophobicContact CE3-CG 4.36Å; W64-E73 HydrophobicContact CZ3-CB 4.16Å; W64-V76 HydrophobicContact CD2-CG2 3.65Å; W64-V76 HydrophobicContact CE3-CG2 3.35Å; W64-V76 HydrophobicContact CG-CG2 4.48Å; W64-V76 HydrophobicContact CH2-CG2 3.68Å; W64-V76 HydrophobicContact CZ2-CG2 3.93Å; W64-V76 HydrophobicContact CZ3-CG2 3.39Å; W64-F95 HydrophobicContact CH2-CE1 4.34Å; W64-F95 HydrophobicContact CH2-CE2 4.27Å; W64-F95 AromaticContact CH2-CZ 3.62Å; W64-F95 HydrophobicContact CH2-CZ 3.62Å; W64-F95 HydrophobicContact CZ3-CE1 4.09Å; W64-F95 AromaticContact CZ3-CZ 3.63Å; W64-F95 HydrophobicContact CZ3-CZ 3.63Å |
| 65 | V | 93.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -76.7 | 115.3 | 178.5 | -174.5 | 0 | 0 | 0 | 0 | 109 | E73 H75 V77 L87 A113 Y115 I121 | V65-E73 WeakPolarHBondContact O-CG 3.33Å; V65-H75 HydrophobicContact CB-CB 4.03Å; V65-H75 HydrophobicContact CG2-CB 3.52Å; V65-H75 PolarHBondContact N-O 3.16Å; V65-H75 VanDerWaalsContact N-O 3.08Å; V65-V77 HydrophobicContact CG2-CG2 3.84Å; V65-L87 HydrophobicContact CG2-CD1 4.21Å; V65-A113 HydrophobicContact CB-CB 4.31Å; V65-A113 HydrophobicContact CG1-CB 4.05Å; V65-A113 HydrophobicContact CG2-CB 3.89Å; V65-Y115 HydrophobicContact CB-CD2 4.41Å; V65-Y115 HydrophobicContact CB-CE2 3.76Å; V65-Y115 HydrophobicContact CG1-CD1 4.49Å; V65-Y115 HydrophobicContact CG1-CD2 3.61Å; V65-Y115 HydrophobicContact CG1-CE1 4.34Å; V65-Y115 HydrophobicContact CG1-CE2 3.41Å; V65-Y115 VanDerWaalsContact CG1-CE2 3.41Å; V65-Y115 HydrophobicContact CG1-CG 4.16Å; V65-Y115 VanDerWaalsContact O-CE2 3.25Å; V65-Y115 WeakPolarHBondContact O-CE2 3.16Å; V65-I121 HydrophobicContact CG1-CD1 4.46Å; V65-I121 HydrophobicContact CG1-CG1 4.32Å; V65-I121 HydrophobicContact CG1-CG2 3.76Å; V65-I121 HydrophobicContact CG2-CG2 4.28Å | ||
| 66 | H | 82.9 | Confident | 90.1 | Very high | 48 Ų | 48 | 45.8 Ų | 45.8 | 22% | 0.222 | 22% | 0.219 | C | C | . | . | B | Isolated β-bridge | trans | -77.6 | 131.8 | -171.6 | -50.4 | 83.2 | 0 | 0 | 0 | 111.9 | K63 W64 D112 A113 Y115 | K63-H66 WeakPolarHBondContact CE-CE1 3.44Å; K63-H66 PolarHBondContact NZ-CE1 2.8Å; K63-H66 PolarHBondContact NZ-NE2 2.71Å; W64-H66 PolarHBondContact O-CE1 3.02Å; W64-H66 VanDerWaalsContact O-CE1 3.29Å; W64-H66 PolarHBondContact O-N 2.86Å; W64-H66 PolarHBondContact O-ND1 3.4Å; H66-D112 IonicContact CE1-OD1 3.83Å; H66-D112 PolarHBondContact CE1-OD1 3.21Å; H66-D112 VanDerWaalsContact CE1-OD1 3.29Å; H66-D112 IonicContact ND1-OD1 3.7Å; H66-A113 PolarHBondContact N-O 2.85Å; H66-A113 VanDerWaalsContact N-O 3.11Å; H66-A113 PolarHBondContact ND1-O 3.05Å; H66-Y115 WeakPolarHBondContact O-CD2 3.47Å; H66-Y115 PolarHBondContact O-N 3.03Å |
| 67 | K | 79.6 | Confident | 90.2 | Very high | 40 Ų | 40 | 38.3 Ų | 38.3 | 17% | 0.174 | 19% | 0.186 | C | C | . | . | trans | -96.5 | 148.5 | 167.1 | -64.6 | 177.9 | 175.1 | 172 | 0 | 111.2 | D69 A71 S72 Y115 | K67-D69 WeakPolarHBondContact CB-OD1 3.39Å; K67-D69 WeakPolarHBondContact CD-OD1 3.26Å; K67-A71 HydrophobicContact CD-CB 4.06Å; K67-S72 PolarHBondContact NZ-O 3.18Å; K67-Y115 HydrophobicContact CB-CD2 4.21Å; K67-Y115 HydrophobicContact CD-CD2 4.44Å; K67-Y115 HydrophobicContact CD-CE2 4.21Å; K67-Y115 HydrophobicContact CG-CD2 3.28Å; K67-Y115 HydrophobicContact CG-CE2 3.35Å; K67-Y115 HydrophobicContact CG-CG 4.2Å | ||
| 68 | K | 74.1 | Confident | 90.3 | Very high | 125 Ų | 125 | 37.6 Ų | 37.6 | 54% | 0.543 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -34.7 | 172.7 | -69.9 | -171.5 | -178.1 | 178.7 | 0 | 112.8 | N70 L163 | K68-N70 PolarHBondContact O-N 2.7Å; K68-L163 HydrophobicContact CD-CD1 4.44Å |
| 69 | D | 73.6 | Confident | 90.3 | Very high | 88 Ų | 88 | 32.7 Ų | 32.7 | 47% | 0.471 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | 8.4 | -172.5 | 67.7 | -5.6 | 0 | 0 | 0 | 114.4 | K67 A71 Y292 | K67-D69 WeakPolarHBondContact CB-OD1 3.39Å; K67-D69 WeakPolarHBondContact CD-OD1 3.26Å; D69-A71 PolarHBondContact O-N 2.78Å; D69-A71 VanDerWaalsContact OD1-CB 3.25Å; D69-A71 WeakPolarHBondContact OD1-CB 3.45Å; D69-A71 PolarHBondContact OD1-N 3.39Å; D69-Y292 PolarHBondContact O-OH 2.82Å |
| 70 | N | 73.4 | Confident | 90.3 | Very high | 27 Ų | 27 | 32.7 Ų | 32.7 | 14% | 0.144 | 16% | 0.16 | C | C | . | . | trans | 57.9 | 12 | -176.7 | -160.8 | 19.7 | 0 | 0 | 0 | 114.7 | R26 K68 P290 Y292 L297 | R26-N70 WeakPolarHBondContact CD-OD1 3.3Å; R26-N70 VanDerWaalsContact CZ-OD1 3.3Å; R26-N70 PolarHBondContact NE-OD1 3.07Å; R26-N70 PolarHBondContact NH1-OD1 2.88Å; K68-N70 PolarHBondContact O-N 2.7Å; N70-P290 PolarHBondContact ND2-O 3.3Å; N70-P290 PolarHBondContact OD1-O 3.1Å; N70-Y292 HydrophobicContact CB-CE2 3.98Å; N70-L297 HydrophobicContact CB-CD1 3.61Å; N70-L297 HydrophobicContact CB-CD2 4.24Å; N70-L297 VanDerWaalsContact ND2-CD1 3.32Å; N70-L297 WeakPolarHBondContact ND2-CD1 3.1Å | ||
| 71 | A | 82.1 | Confident | 90.3 | Very high | 36 Ų | 36 | 34.5 Ų | 34.5 | 30% | 0.298 | 17% | 0.173 | S | C | . | . | P | Polyproline II helix | trans | -72.4 | 155.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | K67 D69 E73 | K67-A71 HydrophobicContact CD-CB 4.06Å; D69-A71 PolarHBondContact O-N 2.78Å; D69-A71 VanDerWaalsContact OD1-CB 3.25Å; D69-A71 WeakPolarHBondContact OD1-CB 3.45Å; D69-A71 PolarHBondContact OD1-N 3.39Å; A71-E73 PolarHBondContact O-N 2.94Å |
| 72 | S | 83.8 | Confident | 90.3 | Very high | 72 Ų | 72 | 35.9 Ų | 35.9 | 50% | 0.503 | 18% | 0.18 | S | C | . | . | P | Polyproline II helix | trans | -56.4 | 135.3 | 176.5 | -50.6 | 0 | 0 | 0 | 0 | 111.7 | K67 | K67-S72 PolarHBondContact NZ-O 3.18Š|
| 73 | E | 89.8 | Confident | 90.2 | Very high | 18 Ų | 18 | 38 Ų | 38 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -73 | 146.7 | 179.9 | -57 | 87.5 | 166.9 | 0 | 0 | 110.8 | R26 W64 V65 A71 | R26-E73 WeakPolarHBondContact CB-OE1 3.33Å; R26-E73 WeakPolarHBondContact CB-OE2 3.5Å; R26-E73 WeakPolarHBondContact CD-OE1 3.26Å; R26-E73 WeakPolarHBondContact CG-OE1 3.16Å; R26-E73 PolarHBondContact N-OE1 3.18Å; R26-E73 VanDerWaalsContact N-OE1 3.12Å; R26-E73 PolarHBondContact N-OE2 3.34Å; R26-E73 IonicContact NE-OE1 3.16Å; W64-E73 HydrophobicContact CB-CG 4.16Å; W64-E73 HydrophobicContact CD2-CB 4.45Å; W64-E73 HydrophobicContact CE3-CB 3.57Å; W64-E73 HydrophobicContact CE3-CG 4.36Å; W64-E73 HydrophobicContact CZ3-CB 4.16Å; V65-E73 WeakPolarHBondContact O-CG 3.33Å; A71-E73 PolarHBondContact O-N 2.94Å |
| 74 | R | 90.8 | Very high | 90.2 | Very high | 164 Ų | 164 | 40.1 Ų | 40.1 | 62% | 0.619 | 20% | 0.199 | S | C | * | . | trans | -111.5 | -3.2 | 173.4 | -62.1 | -174.1 | -172 | 172.6 | 3.2 | 112.8 | E89 A90 | R74-E89 CarbonylContact O-C 3.51Å; R74-E89 WeakPolarHBondContact O-CA 3.16Å; R74-A90 HydrophobicContact CB-CB 4.36Å; R74-A90 WeakPolarHBondContact O-CB 3.49Å; R74-A90 PolarHBondContact O-N 3.17Å | ||
| 75 | H | 94.6 | Very high | 90.3 | Very high | 29 Ų | 29 | 39.7 Ų | 39.7 | 13% | 0.134 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 141.9 | -173.5 | -65 | 93.6 | 0 | 0 | 0 | 111.6 | V65 L87 W88 E89 Y115 I121 | V65-H75 HydrophobicContact CB-CB 4.03Å; V65-H75 HydrophobicContact CG2-CB 3.52Å; V65-H75 PolarHBondContact N-O 3.16Å; V65-H75 VanDerWaalsContact N-O 3.08Å; H75-L87 HydrophobicContact CB-CD1 3.97Å; H75-W88 WeakPolarHBondContact CA-O 3.25Å; H75-W88 PolarHBondContact CD2-O 2.98Å; H75-E89 WeakPolarHBondContact NE2-CG 3.47Å; H75-Y115 AromaticContact ND1-CE1 3.84Å; H75-Y115 AromaticContact ND1-CZ 3.71Å; H75-Y115 PolarHBondContact ND1-OH 3.11Å; H75-I121 HydrophobicContact CB-CD1 4.21Å |
| 76 | V | 97 | Very high | 90.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 139.3 | 172.3 | 178.7 | 0 | 0 | 0 | 0 | 107.4 | A31 V62 W64 W88 F95 | A31-V76 HydrophobicContact CB-CG1 4.25Å; V62-V76 HydrophobicContact CG1-CG1 3.69Å; W64-V76 HydrophobicContact CD2-CG2 3.65Å; W64-V76 HydrophobicContact CE3-CG2 3.35Å; W64-V76 HydrophobicContact CG-CG2 4.48Å; W64-V76 HydrophobicContact CH2-CG2 3.68Å; W64-V76 HydrophobicContact CZ2-CG2 3.93Å; W64-V76 HydrophobicContact CZ3-CG2 3.39Å; V76-W88 HydrophobicContact CB-CB 4.26Å; V76-W88 PolarHBondContact N-O 3.25Å; V76-W88 VanDerWaalsContact O-CD1 3.3Å; V76-W88 PolarHBondContact O-N 3.33Å; V76-F95 HydrophobicContact CG2-CE1 3.96Å; V76-F95 HydrophobicContact CG2-CZ 4.48Å |
| 77 | V | 98.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 136.8 | 171.7 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | V62 K63 V65 I85 I86 L87 V111 A113 I123 | V62-V77 CarbonylContact C-O 3.59Å; V62-V77 WeakPolarHBondContact CA-O 3.47Å; K63-V77 PolarHBondContact N-O 2.94Å; K63-V77 PolarHBondContact O-N 3Å; V65-V77 HydrophobicContact CG2-CG2 3.84Å; V77-I85 HydrophobicContact CG1-CG2 3.53Å; V77-I86 WeakPolarHBondContact CA-O 3.26Å; V77-L87 HydrophobicContact CG2-CD1 3.58Å; V77-V111 HydrophobicContact CB-CG2 4.47Å; V77-V111 HydrophobicContact CG1-CB 4.13Å; V77-V111 HydrophobicContact CG1-CG1 4.37Å; V77-V111 HydrophobicContact CG1-CG2 4.07Å; V77-A113 HydrophobicContact CG2-CB 3.92Å; V77-I123 HydrophobicContact CG1-CD1 4.27Å; V77-I123 HydrophobicContact CG1-CG2 3.93Å; V77-I123 HydrophobicContact CG2-CD1 3.8Å; V77-I123 HydrophobicContact CG2-CG1 4.16Å |
| 78 | S | 98.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 143.5 | 172.5 | 61.5 | 0 | 0 | 0 | 0 | 112.3 | H55 A61 I85 I86 W88 | H55-S78 PolarHBondContact NE2-OG 2.86Å; A61-S78 CarbonylContact O-C 3.54Å; A61-S78 VanDerWaalsContact O-CA 3.23Å; A61-S78 WeakPolarHBondContact O-CA 3.42Å; S78-I85 CarbonylContact O-C 3.59Å; S78-I85 VanDerWaalsContact O-CA 3.24Å; S78-I85 WeakPolarHBondContact O-CA 3.49Å; S78-I86 PolarHBondContact N-O 3.17Å; S78-I86 PolarHBondContact O-N 2.98Å; S78-W88 PolarHBondContact OG-NE1 3.16Å |
| 79 | G | 98.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 136.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | N60 A61 | N60-G79 PolarHBondContact N-O 3.09Å; A61-G79 PolarHBondContact N-O 2.84Å; A61-G79 VanDerWaalsContact N-O 3.15Å; A61-G79 PolarHBondContact O-N 2.85Å |
| 80 | G | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 165.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R58 D82 N83 R84 V108 | R58-G80 CarbonylContact O-C 3.47Å; R58-G80 VanDerWaalsContact O-CA 3.32Å; R58-G80 WeakPolarHBondContact O-CA 3.49Å; G80-D82 WeakPolarHBondContact CA-OD1 3.35Å; G80-D82 PolarHBondContact O-N 2.82Å; G80-N83 PolarHBondContact O-N 2.88Å; G80-R84 PolarHBondContact N-O 2.84Å; G80-V108 PolarHBondContact O-N 2.96Å; G80-V108 VanDerWaalsContact O-N 3.1Å |
| 81 | S | 97.9 | Very high | 94.4 | Very high | 40 Ų | 40 | 31.3 Ų | 31.3 | 28% | 0.28 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -2.5 | 169.6 | -63.3 | 0 | 0 | 0 | 0 | 113.6 | R58 N60 | R58-S81 PolarHBondContact O-N 2.85Å; R58-S81 PolarHBondContact O-OG 2.93Å; N60-S81 PolarHBondContact ND2-N 3.01Å; N60-S81 PolarHBondContact ND2-OG 3.31Å; N60-S81 PolarHBondContact OD1-OG 2.87Å |
| 82 | D | 97.3 | Very high | 94.5 | Very high | 28 Ų | 28 | 39 Ų | 39 | 15% | 0.15 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 11.4 | 168.4 | 59.4 | -5.1 | 0 | 0 | 0 | 113.1 | H55 K56 G80 R84 | H55-D82 VanDerWaalsContact CA-OD2 3.22Å; H55-D82 WeakPolarHBondContact CA-OD2 2.95Å; H55-D82 WeakPolarHBondContact CB-OD2 3.19Å; H55-D82 IonicContact CE1-OD1 3.66Å; H55-D82 IonicContact CG-OD1 3.94Å; H55-D82 IonicContact CG-OD2 3.6Å; H55-D82 IonicContact ND1-OD1 2.82Å; H55-D82 PolarHBondContact ND1-OD1 2.96Å; H55-D82 IonicContact ND1-OD2 2.95Å; H55-D82 PolarHBondContact ND1-OD2 2.81Å; H55-D82 VanDerWaalsContact ND1-OD2 3.16Å; K56-D82 HydrophobicContact CB-CB 4.26Å; K56-D82 PolarHBondContact N-OD2 2.95Å; G80-D82 WeakPolarHBondContact CA-OD1 3.35Å; G80-D82 PolarHBondContact O-N 2.82Å; D82-R84 WeakPolarHBondContact O-CG 3.26Å; D82-R84 PolarHBondContact O-N 3.38Å; D82-R84 PolarHBondContact OD1-N 3.27Å |
| 83 | N | 97.4 | Very high | 94.2 | Very high | 48 Ų | 48 | 39.5 Ų | 39.5 | 26% | 0.257 | 21% | 0.208 | S | C | . | . | S | Bend | trans | 63.6 | 17.7 | 180 | -48.4 | -10.1 | 0 | 0 | 0 | 113.5 | G80 T105 G106 P107 | G80-N83 PolarHBondContact O-N 2.88Å; N83-T105 VanDerWaalsContact ND2-C 3.33Å; N83-T105 PolarHBondContact ND2-O 2.9Å; N83-T105 VanDerWaalsContact ND2-O 3.15Å; N83-G106 WeakPolarHBondContact CB-O 3.41Å; N83-G106 PolarHBondContact OD1-O 2.89Å; N83-P107 VanDerWaalsContact OD1-N 3.08Å |
| 84 | R | 96.6 | Very high | 94.1 | Very high | 70 Ų | 70 | 44.9 Ų | 44.9 | 26% | 0.264 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 151.4 | -176.2 | -66.7 | 164.1 | -178.4 | -129.7 | 5 | 110.7 | H55 G80 D82 E100 | H55-R84 PolarHBondContact CE1-O 2.9Å; G80-R84 PolarHBondContact N-O 2.84Å; D82-R84 WeakPolarHBondContact O-CG 3.26Å; D82-R84 PolarHBondContact O-N 3.38Å; D82-R84 PolarHBondContact OD1-N 3.27Å; R84-E100 WeakPolarHBondContact CD-OE1 3.35Å; R84-E100 WeakPolarHBondContact CG-OE1 3.2Å; R84-E100 IonicContact CZ-OE1 2.87Å; R84-E100 IonicContact NE-OE1 3.24Å; R84-E100 PolarHBondContact NE-OE1 3.13Å; R84-E100 IonicContact NH1-OE1 3.38Å; R84-E100 PolarHBondContact NH1-OE1 3.26Å; R84-E100 IonicContact NH1-OE2 2.89Å; R84-E100 PolarHBondContact NH1-OE2 2.87Å |
| 85 | I | 98.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 130.6 | 167.3 | -55.2 | 157.2 | 0 | 0 | 0 | 106.9 | V77 S78 E100 C101 V108 I123 S125 W135 | V77-I85 HydrophobicContact CG1-CG2 3.53Å; S78-I85 CarbonylContact O-C 3.59Å; S78-I85 VanDerWaalsContact O-CA 3.24Å; S78-I85 WeakPolarHBondContact O-CA 3.49Å; I85-E100 CarbonylContact O-C 3.48Å; I85-E100 WeakPolarHBondContact O-CA 3.37Å; I85-C101 HydrophobicContact CB-CB 4.02Å; I85-C101 HydrophobicContact CD1-CB 4.34Å; I85-C101 PolarHBondContact N-O 2.8Å; I85-C101 PolarHBondContact O-N 3.19Å; I85-V108 HydrophobicContact CG1-CG1 4.25Å; I85-V108 HydrophobicContact CG1-CG2 3.96Å; I85-I123 HydrophobicContact CG2-CG2 4.41Å; I85-S125 VanDerWaalsContact CD1-OG 3.26Å; I85-S125 WeakPolarHBondContact CD1-OG 3.24Å; I85-W135 HydrophobicContact CD1-CZ2 4.12Å |
| 86 | I | 97.7 | Very high | 94 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127.2 | -179.8 | -56.7 | -179.5 | 0 | 0 | 0 | 109 | V77 S78 W88 Q97 E100 | V77-I86 WeakPolarHBondContact CA-O 3.26Å; S78-I86 PolarHBondContact N-O 3.17Å; S78-I86 PolarHBondContact O-N 2.98Å; I86-W88 HydrophobicContact CB-CZ2 4.08Å; I86-W88 HydrophobicContact CD1-CH2 4.46Å; I86-W88 HydrophobicContact CD1-CZ2 4.02Å; I86-W88 HydrophobicContact CG2-CD2 3.89Å; I86-W88 VanDerWaalsContact CG2-CE2 3.47Å; I86-W88 HydrophobicContact CG2-CE3 4.35Å; I86-W88 HydrophobicContact CG2-CG 4.4Å; I86-W88 HydrophobicContact CG2-CH2 4.13Å; I86-W88 HydrophobicContact CG2-CZ2 3.62Å; I86-W88 HydrophobicContact CG2-CZ3 4.47Å; I86-Q97 HydrophobicContact CG2-CB 4.38Å; I86-Q97 HydrophobicContact CG2-CG 3.69Å; I86-E100 HydrophobicContact CG1-CG 4.49Å |
| 87 | L | 97.3 | Very high | 93.8 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 118.5 | 168.7 | 179.3 | 68.4 | 0 | 0 | 0 | 108.7 | V65 H75 V77 S98 V99 I121 C137 | V65-L87 HydrophobicContact CG2-CD1 4.21Å; H75-L87 HydrophobicContact CB-CD1 3.97Å; V77-L87 HydrophobicContact CG2-CD1 3.58Å; L87-S98 WeakPolarHBondContact O-CA 3.32Å; L87-S98 WeakPolarHBondContact O-CB 3.12Å; L87-S98 PolarHBondContact O-N 3.36Å; L87-V99 HydrophobicContact CB-CB 4.38Å; L87-V99 HydrophobicContact CD2-CG2 4.25Å; L87-V99 PolarHBondContact N-O 3.11Å; L87-V99 PolarHBondContact O-N 3.18Å; L87-I121 HydrophobicContact CD1-CD1 4.17Å; L87-I121 HydrophobicContact CD2-CD1 4.03Å; L87-C137 HydrophobicContact CD2-CB 4.15Å |
| 88 | W | 96.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 141.1 | 176.7 | -51.2 | 91.7 | 0 | 0 | 0 | 109.8 | L52 H75 V76 S78 I86 F95 V96 Q97 | L52-W88 HydrophobicContact CB-CD2 3.89Å; L52-W88 HydrophobicContact CB-CE3 3.75Å; L52-W88 HydrophobicContact CB-CH2 3.8Å; L52-W88 HydrophobicContact CB-CZ2 3.94Å; L52-W88 HydrophobicContact CB-CZ3 3.71Å; L52-W88 HydrophobicContact CD1-CB 4.01Å; L52-W88 HydrophobicContact CD1-CD2 3.77Å; L52-W88 HydrophobicContact CD1-CE3 4.14Å; L52-W88 HydrophobicContact CD1-CG 3.69Å; L52-W88 HydrophobicContact CG-CD2 4.42Å; L52-W88 HydrophobicContact CG-CE3 4.41Å; H75-W88 WeakPolarHBondContact CA-O 3.25Å; H75-W88 PolarHBondContact CD2-O 2.98Å; V76-W88 HydrophobicContact CB-CB 4.26Å; V76-W88 PolarHBondContact N-O 3.25Å; V76-W88 VanDerWaalsContact O-CD1 3.3Å; V76-W88 PolarHBondContact O-N 3.33Å; S78-W88 PolarHBondContact OG-NE1 3.16Å; I86-W88 HydrophobicContact CB-CZ2 4.08Å; I86-W88 HydrophobicContact CD1-CH2 4.46Å; I86-W88 HydrophobicContact CD1-CZ2 4.02Å; I86-W88 HydrophobicContact CG2-CD2 3.89Å; I86-W88 VanDerWaalsContact CG2-CE2 3.47Å; I86-W88 HydrophobicContact CG2-CE3 4.35Å; I86-W88 HydrophobicContact CG2-CG 4.4Å; I86-W88 HydrophobicContact CG2-CH2 4.13Å; I86-W88 HydrophobicContact CG2-CZ2 3.62Å; I86-W88 HydrophobicContact CG2-CZ3 4.47Å; W88-F95 HydrophobicContact CB-CD1 4.11Å; W88-V96 CarbonylContact C-O 3.55Å; W88-V96 WeakPolarHBondContact CA-O 3.37Å; W88-Q97 HydrophobicContact CE3-CB 4.01Å; W88-Q97 HydrophobicContact CH2-CB 4.48Å; W88-Q97 HydrophobicContact CZ3-CB 3.76Å |
| 89 | E | 93.8 | Very high | 93.2 | Very high | 48 Ų | 48 | 45.2 Ų | 45.2 | 22% | 0.224 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 134.7 | -178.7 | 179.5 | -175.7 | 175.1 | 0 | 0 | 110.8 | R74 H75 Q91 F95 V96 S98 | R74-E89 CarbonylContact O-C 3.51Å; R74-E89 WeakPolarHBondContact O-CA 3.16Å; H75-E89 WeakPolarHBondContact NE2-CG 3.47Å; E89-Q91 VanDerWaalsContact CD-NE2 3.3Å; E89-Q91 HydrophobicContact CG-CG 3.92Å; E89-Q91 PolarHBondContact O-N 2.86Å; E89-Q91 PolarHBondContact OE2-NE2 3.16Å; E89-F95 CarbonylContact O-C 3.5Å; E89-F95 WeakPolarHBondContact O-CA 3.49Å; E89-V96 PolarHBondContact N-O 2.94Å; E89-V96 PolarHBondContact O-N 2.94Å; E89-S98 PolarHBondContact OE2-OG 2.91Å |
| 90 | A | 91.6 | Very high | 93 | Very high | 32 Ų | 32 | 47.1 Ų | 47.1 | 26% | 0.264 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 108.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | R74 F95 | R74-A90 HydrophobicContact CB-CB 4.36Å; R74-A90 WeakPolarHBondContact O-CB 3.49Å; R74-A90 PolarHBondContact O-N 3.17Å; A90-F95 HydrophobicContact CB-CD1 4.24Å; A90-F95 HydrophobicContact CB-CD2 4.29Å; A90-F95 HydrophobicContact CB-CE1 3.87Å; A90-F95 HydrophobicContact CB-CE2 3.92Å; A90-F95 HydrophobicContact CB-CG 4.44Å; A90-F95 HydrophobicContact CB-CZ 3.7Å |
| 91 | Q | 87.8 | Confident | 92.8 | Very high | 62 Ų | 62 | 47.2 Ų | 47.2 | 29% | 0.29 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 124.8 | 176.8 | -58.4 | -171.1 | 0.8 | 0 | 0 | 110.1 | E89 G93 K94 V96 | E89-Q91 VanDerWaalsContact CD-NE2 3.3Å; E89-Q91 HydrophobicContact CG-CG 3.92Å; E89-Q91 PolarHBondContact O-N 2.86Å; E89-Q91 PolarHBondContact OE2-NE2 3.16Å; Q91-G93 PolarHBondContact O-N 2.91Å; Q91-G93 VanDerWaalsContact O-N 3.12Å; Q91-K94 CarbonylContact C-O 3.09Å; Q91-K94 PolarHBondContact N-O 2.87Å; Q91-K94 PolarHBondContact O-N 3.12Å; Q91-V96 HydrophobicContact CB-CG2 4.32Å; Q91-V96 HydrophobicContact CG-CG2 3.86Å |
| 92 | H | 84.3 | Confident | 92.5 | Very high | 199 Ų | 199 | 51.6 Ų | 51.6 | 92% | 0.921 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 36.8 | 179.3 | -51.1 | 101.4 | 0 | 0 | 0 | 114.2 | K94 | H92-K94 VanDerWaalsContact C-N 3.33Å; H92-K94 PolarHBondContact O-N 2.86Å |
| 93 | G | 78.1 | Confident | 92.2 | Very high | 81 Ų | 81 | 51.8 Ų | 51.8 | 84% | 0.835 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | 7.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q91 | Q91-G93 PolarHBondContact O-N 2.91Å; Q91-G93 VanDerWaalsContact O-N 3.12Å |
| 94 | K | 85.9 | Confident | 92.2 | Very high | 132 Ų | 132 | 50.1 Ų | 50.1 | 57% | 0.574 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 143.1 | 172.1 | -66.7 | -173.9 | 178.7 | -174.6 | 0 | 110.5 | Q91 H92 | Q91-K94 CarbonylContact C-O 3.09Å; Q91-K94 PolarHBondContact N-O 2.87Å; Q91-K94 PolarHBondContact O-N 3.12Å; H92-K94 VanDerWaalsContact C-N 3.33Å; H92-K94 PolarHBondContact O-N 2.86Å |
| 95 | F | 91.9 | Very high | 92.2 | Very high | 30 Ų | 30 | 52.1 Ų | 52.1 | 13% | 0.132 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 134.9 | 172.3 | -80.8 | -97.4 | 0 | 0 | 0 | 110.4 | L40 L52 W64 V76 W88 E89 A90 | L40-F95 HydrophobicContact CD1-CB 4.47Å; L40-F95 HydrophobicContact CD1-CD2 3.33Å; L40-F95 HydrophobicContact CD1-CE2 3.6Å; L40-F95 HydrophobicContact CD1-CG 3.93Å; L40-F95 HydrophobicContact CD1-CZ 4.38Å; L52-F95 HydrophobicContact CD1-CB 4.13Å; L52-F95 HydrophobicContact CD1-CG 4.47Å; L52-F95 HydrophobicContact CD2-CB 3.39Å; L52-F95 HydrophobicContact CD2-CG 4.31Å; L52-F95 HydrophobicContact CG-CB 4.43Å; W64-F95 HydrophobicContact CH2-CE1 4.34Å; W64-F95 HydrophobicContact CH2-CE2 4.27Å; W64-F95 AromaticContact CH2-CZ 3.62Å; W64-F95 HydrophobicContact CH2-CZ 3.62Å; W64-F95 HydrophobicContact CZ3-CE1 4.09Å; W64-F95 AromaticContact CZ3-CZ 3.63Å; W64-F95 HydrophobicContact CZ3-CZ 3.63Å; V76-F95 HydrophobicContact CG2-CE1 3.96Å; V76-F95 HydrophobicContact CG2-CZ 4.48Å; W88-F95 HydrophobicContact CB-CD1 4.11Å; E89-F95 CarbonylContact O-C 3.5Å; E89-F95 WeakPolarHBondContact O-CA 3.49Å; A90-F95 HydrophobicContact CB-CD1 4.24Å; A90-F95 HydrophobicContact CB-CD2 4.29Å; A90-F95 HydrophobicContact CB-CE1 3.87Å; A90-F95 HydrophobicContact CB-CE2 3.92Å; A90-F95 HydrophobicContact CB-CG 4.44Å; A90-F95 HydrophobicContact CB-CZ 3.7Å |
| 96 | V | 92.1 | Very high | 92.2 | Very high | 54 Ų | 54 | 52.5 Ų | 52.5 | 33% | 0.327 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 154.2 | 174.9 | -62.7 | 0 | 0 | 0 | 0 | 109.7 | W88 E89 Q91 S98 | W88-V96 CarbonylContact C-O 3.55Å; W88-V96 WeakPolarHBondContact CA-O 3.37Å; E89-V96 PolarHBondContact N-O 2.94Å; E89-V96 PolarHBondContact O-N 2.94Å; Q91-V96 HydrophobicContact CB-CG2 4.32Å; Q91-V96 HydrophobicContact CG-CG2 3.86Å; V96-S98 PolarHBondContact O-N 3.47Å |
| 97 | Q | 92.6 | Very high | 92.2 | Very high | 83 Ų | 83 | 54.5 Ų | 54.5 | 39% | 0.388 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 115.5 | 170.5 | 175.6 | 168.8 | -9.6 | 0 | 0 | 108.8 | I86 W88 | I86-Q97 HydrophobicContact CG2-CB 4.38Å; I86-Q97 HydrophobicContact CG2-CG 3.69Å; W88-Q97 HydrophobicContact CE3-CB 4.01Å; W88-Q97 HydrophobicContact CH2-CB 4.48Å; W88-Q97 HydrophobicContact CZ3-CB 3.76Å |
| 98 | S | 90.4 | Very high | 92.2 | Very high | 19 Ų | 19 | 54.3 Ų | 54.3 | 13% | 0.133 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | -54 | 179.9 | -164.1 | 0 | 0 | 0 | 0 | 110.6 | L87 E89 V96 K141 | L87-S98 WeakPolarHBondContact O-CA 3.32Å; L87-S98 WeakPolarHBondContact O-CB 3.12Å; L87-S98 PolarHBondContact O-N 3.36Å; E89-S98 PolarHBondContact OE2-OG 2.91Å; V96-S98 PolarHBondContact O-N 3.47Å; S98-K141 WeakPolarHBondContact OG-CE 3.34Å |
| 99 | V | 93 | Very high | 92.2 | Very high | 13 Ų | 13 | 56.2 Ų | 56.2 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 152.1 | -174.4 | -156.9 | 0 | 0 | 0 | 0 | 111.6 | L87 K141 V143 | L87-V99 HydrophobicContact CB-CB 4.38Å; L87-V99 HydrophobicContact CD2-CG2 4.25Å; L87-V99 PolarHBondContact N-O 3.11Å; L87-V99 PolarHBondContact O-N 3.18Å; V99-K141 WeakPolarHBondContact CG1-O 3.36Å; V99-K141 HydrophobicContact CG2-CB 3.84Å; V99-K141 HydrophobicContact CG2-CG 4.11Å; V99-V143 HydrophobicContact CB-CG2 4.2Å; V99-V143 HydrophobicContact CG1-CG2 3.07Å |
| 100 | E | 94.2 | Very high | 92.3 | Very high | 40 Ų | 40 | 54 Ų | 54 | 19% | 0.187 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 123.1 | 177.1 | -171.3 | -171.3 | 169.2 | 0 | 0 | 110.3 | R84 I85 I86 K102 | R84-E100 WeakPolarHBondContact CD-OE1 3.35Å; R84-E100 WeakPolarHBondContact CG-OE1 3.2Å; R84-E100 IonicContact CZ-OE1 2.87Å; R84-E100 IonicContact NE-OE1 3.24Å; R84-E100 PolarHBondContact NE-OE1 3.13Å; R84-E100 IonicContact NH1-OE1 3.38Å; R84-E100 PolarHBondContact NH1-OE1 3.26Å; R84-E100 IonicContact NH1-OE2 2.89Å; R84-E100 PolarHBondContact NH1-OE2 2.87Å; I85-E100 CarbonylContact O-C 3.48Å; I85-E100 WeakPolarHBondContact O-CA 3.37Å; I86-E100 HydrophobicContact CG1-CG 4.49Å; E100-K102 HydrophobicContact CG-CG 4.34Å; E100-K102 WeakPolarHBondContact OE1-CE 3.33Å; E100-K102 IonicContact OE1-NZ 2.84Å; E100-K102 WeakPolarHBondContact OE2-CE 3.26Å; E100-K102 IonicContact OE2-NZ 2.82Å; E100-K102 PolarHBondContact OE2-NZ 3.22Å; E100-K102 VanDerWaalsContact OE2-NZ 3.09Å |
| 101 | C | 93.9 | Very high | 92.6 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 123.5 | 174.9 | -42.7 | 0 | 0 | 0 | 0 | 109.5 | I85 W135 V143 | I85-C101 HydrophobicContact CB-CB 4.02Å; I85-C101 HydrophobicContact CD1-CB 4.34Å; I85-C101 PolarHBondContact N-O 2.8Å; I85-C101 PolarHBondContact O-N 3.19Å; C101-W135 HydrophobicContact CB-CD2 3.81Å; C101-W135 HydrophobicContact CB-CE3 3.74Å; C101-W135 HydrophobicContact CB-CG 4.3Å; C101-W135 HydrophobicContact CB-CH2 4.35Å; C101-W135 HydrophobicContact CB-CZ2 4.43Å; C101-W135 HydrophobicContact CB-CZ3 4.02Å; C101-V143 HydrophobicContact CB-CG1 4.07Å |
| 102 | K | 92.3 | Very high | 93.1 | Very high | 133 Ų | 133 | 49.8 Ų | 49.8 | 58% | 0.578 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.3 | 179.3 | -66.4 | 175.3 | -176 | 159.3 | 0 | 109.8 | E100 | E100-K102 HydrophobicContact CG-CG 4.34Å; E100-K102 WeakPolarHBondContact OE1-CE 3.33Å; E100-K102 IonicContact OE1-NZ 2.84Å; E100-K102 WeakPolarHBondContact OE2-CE 3.26Å; E100-K102 IonicContact OE2-NZ 2.82Å; E100-K102 PolarHBondContact OE2-NZ 3.22Å; E100-K102 VanDerWaalsContact OE2-NZ 3.09Å |
| 103 | G | 91.6 | Very high | 93.6 | Very high | 32 Ų | 32 | 40.3 Ų | 40.3 | 33% | 0.33 | 24% | 0.237 | S | C | . | . | trans | 163.9 | -21.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R133 | G103-R133 PolarHBondContact O-NH1 2.84Å; G103-R133 PolarHBondContact O-NH2 2.74Å | ||
| 104 | H | 96.6 | Very high | 94.3 | Very high | 12 Ų | 12 | 37 Ų | 37 | 6% | 0.056 | 20% | 0.2 | C | C | . | . | trans | -65.2 | 144 | 169.4 | -80.9 | -62.7 | 0 | 0 | 0 | 111.4 | S125 S127 D129 T131 | H104-S125 PolarHBondContact NE2-OG 2.86Å; H104-S127 VanDerWaalsContact CE1-CB 3.48Å; H104-S127 WeakPolarHBondContact CE1-CB 3.4Å; H104-S127 WeakPolarHBondContact ND1-CB 3.43Å; H104-D129 VanDerWaalsContact CA-OD2 3.32Å; H104-D129 WeakPolarHBondContact CA-OD2 3.46Å; H104-D129 IonicContact CE1-OD1 2.8Å; H104-D129 IonicContact CG-OD2 3.95Å; H104-D129 IonicContact ND1-OD1 2.73Å; H104-D129 PolarHBondContact ND1-OD1 3.39Å; H104-D129 IonicContact ND1-OD2 3.23Å; H104-D129 PolarHBondContact ND1-OD2 3.19Å; H104-T131 PolarHBondContact CE1-OG1 3.49Å; H104-T131 VanDerWaalsContact CE1-OG1 3.26Å; H104-T131 PolarHBondContact ND1-OG1 3.16Å | ||
| 105 | T | 96.7 | Very high | 94.5 | Very high | 113 Ų | 113 | 32.6 Ų | 32.6 | 69% | 0.693 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -101.6 | -6.4 | 178.4 | 54.2 | 0 | 0 | 0 | 0 | 112.9 | N83 D129 | N83-T105 VanDerWaalsContact ND2-C 3.33Å; N83-T105 PolarHBondContact ND2-O 2.9Å; N83-T105 VanDerWaalsContact ND2-O 3.15Å; T105-D129 PolarHBondContact N-OD2 3.23Å; T105-D129 VanDerWaalsContact OG1-CB 3.26Å; T105-D129 WeakPolarHBondContact OG1-CB 3.19Å |
| 106 | G | 97.2 | Very high | 94.2 | Very high | 8 Ų | 8 | 33.4 Ų | 33.4 | 8% | 0.082 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -132.8 | 173.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N83 S127 | N83-G106 WeakPolarHBondContact CB-O 3.41Å; N83-G106 PolarHBondContact OD1-O 2.89Å; G106-S127 VanDerWaalsContact C-OG 3.25Å; G106-S127 PolarHBondContact O-OG 3.2Å |
| 107 | P | 97.6 | Very high | 93.3 | Very high | 43 Ų | 43 | 38.7 Ų | 38.7 | 28% | 0.279 | 21% | 0.207 | S | C | . | . | trans | -51.1 | 138.1 | 177 | -32.6 | 37.7 | 0 | 0 | 0 | 112.8 | N83 S127 S128 | N83-P107 VanDerWaalsContact OD1-N 3.08Å; P107-S127 CarbonylContact O-C 3.58Å; P107-S127 WeakPolarHBondContact O-CA 3.45Å; P107-S127 WeakPolarHBondContact O-CB 3.44Å; P107-S127 PolarHBondContact O-OG 3.1Å; P107-S128 PolarHBondContact O-N 2.86Å | ||
| 108 | V | 98.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 130.5 | 172.5 | -178.7 | 0 | 0 | 0 | 0 | 108.2 | N60 G80 I85 V111 S126 | N60-V108 WeakPolarHBondContact CB-O 3.45Å; N60-V108 PolarHBondContact ND2-O 3.22Å; G80-V108 PolarHBondContact O-N 2.96Å; G80-V108 VanDerWaalsContact O-N 3.1Å; I85-V108 HydrophobicContact CG1-CG1 4.25Å; I85-V108 HydrophobicContact CG1-CG2 3.96Å; V108-V111 HydrophobicContact CG1-CG1 3.75Å; V108-S126 WeakPolarHBondContact CA-O 3.35Å; V108-S126 WeakPolarHBondContact CG1-O 3.22Å |
| 109 | N | 95.6 | Very high | 91.5 | Very high | 45 Ų | 45 | 42.3 Ų | 42.3 | 24% | 0.241 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | -33.1 | -172.5 | -65.5 | -38.7 | 0 | 0 | 0 | 113.6 | N20 S126 S128 | N20-N109 PolarHBondContact ND2-O 3.23Å; N109-S126 PolarHBondContact N-O 3.14Å; N109-S128 PolarHBondContact ND2-N 3.01Å; N109-S128 VanDerWaalsContact ND2-N 3.17Å; N109-S128 PolarHBondContact ND2-OG 3.41Å |
| 110 | A | 97.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 149.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | N20 S125 S126 V159 | N20-A110 HydrophobicContact CB-CB 4.46Å; N20-A110 WeakPolarHBondContact ND2-CB 3.32Å; A110-S125 WeakPolarHBondContact O-CA 3.4Å; A110-S126 WeakPolarHBondContact CB-OG 3.41Å; A110-S126 PolarHBondContact N-OG 2.65Å; A110-S126 PolarHBondContact O-N 3.1Å; A110-V159 HydrophobicContact CB-CG2 4.07Å |
| 111 | V | 98.1 | Very high | 91.3 | Very high | 5 Ų | 5 | 43.2 Ų | 43.2 | 3% | 0.03 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 145 | 173 | -61.5 | 0 | 0 | 0 | 0 | 109.6 | A61 K63 V77 V108 A124 | A61-V111 HydrophobicContact CB-CG1 4.35Å; A61-V111 HydrophobicContact CB-CG2 3.87Å; K63-V111 HydrophobicContact CB-CG2 4.06Å; V77-V111 HydrophobicContact CB-CG2 4.47Å; V77-V111 HydrophobicContact CG1-CB 4.13Å; V77-V111 HydrophobicContact CG1-CG1 4.37Å; V77-V111 HydrophobicContact CG1-CG2 4.07Å; V108-V111 HydrophobicContact CG1-CG1 3.75Å; V111-A124 CarbonylContact C-O 3.59Å; V111-A124 VanDerWaalsContact CA-O 3.25Å; V111-A124 WeakPolarHBondContact CA-O 3.13Å |
| 112 | D | 97.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.011 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 154.5 | 166.4 | -158.6 | 9.5 | 0 | 0 | 0 | 110.1 | K63 H66 I123 A124 S160 L161 | K63-D112 WeakPolarHBondContact CE-OD1 3.38Å; K63-D112 WeakPolarHBondContact CG-OD1 3.42Å; H66-D112 IonicContact CE1-OD1 3.83Å; H66-D112 PolarHBondContact CE1-OD1 3.21Å; H66-D112 VanDerWaalsContact CE1-OD1 3.29Å; H66-D112 IonicContact ND1-OD1 3.7Å; D112-I123 CarbonylContact O-C 3.57Å; D112-I123 WeakPolarHBondContact O-CA 3.49Å; D112-A124 PolarHBondContact N-O 2.9Å; D112-A124 PolarHBondContact O-N 3Å; D112-S160 WeakPolarHBondContact OD2-CA 3.35Å; D112-S160 PolarHBondContact OD2-OG 2.89Å; D112-L161 PolarHBondContact OD2-N 2.95Å |
| 113 | A | 95.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 144 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | V65 H66 V77 I121 L122 I123 | V65-A113 HydrophobicContact CB-CB 4.31Å; V65-A113 HydrophobicContact CG1-CB 4.05Å; V65-A113 HydrophobicContact CG2-CB 3.89Å; H66-A113 PolarHBondContact N-O 2.85Å; H66-A113 VanDerWaalsContact N-O 3.11Å; H66-A113 PolarHBondContact ND1-O 3.05Å; V77-A113 HydrophobicContact CG2-CB 3.92Å; A113-I121 HydrophobicContact CB-CG2 4.31Å; A113-L122 VanDerWaalsContact CA-O 3.26Å; A113-L122 WeakPolarHBondContact CA-O 3.25Å; A113-I123 HydrophobicContact CB-CG1 4.14Å |
| 114 | V | 92.6 | Very high | 91.8 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 7% | 0.073 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 148.7 | 179.8 | -62.3 | 0 | 0 | 0 | 0 | 111 | L122 L161 | V114-L122 HydrophobicContact CG2-CB 4.15Å; V114-L122 PolarHBondContact N-O 2.85Å; V114-L122 PolarHBondContact O-N 2.98Å; V114-L161 HydrophobicContact CG1-CB 4.02Å; V114-L161 HydrophobicContact CG2-CB 4.4Å; V114-L161 HydrophobicContact CG2-CD1 4.41Å |
| 115 | Y | 90.3 | Very high | 91.9 | Very high | 38 Ų | 38 | 34.7 Ų | 34.7 | 15% | 0.149 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 138 | 168.1 | -67.7 | -88.5 | 0 | 0 | 0 | 110.9 | V65 H66 K67 H75 I121 | V65-Y115 HydrophobicContact CB-CD2 4.41Å; V65-Y115 HydrophobicContact CB-CE2 3.76Å; V65-Y115 HydrophobicContact CG1-CD1 4.49Å; V65-Y115 HydrophobicContact CG1-CD2 3.61Å; V65-Y115 HydrophobicContact CG1-CE1 4.34Å; V65-Y115 HydrophobicContact CG1-CE2 3.41Å; V65-Y115 VanDerWaalsContact CG1-CE2 3.41Å; V65-Y115 HydrophobicContact CG1-CG 4.16Å; V65-Y115 VanDerWaalsContact O-CE2 3.25Å; V65-Y115 WeakPolarHBondContact O-CE2 3.16Å; H66-Y115 WeakPolarHBondContact O-CD2 3.47Å; H66-Y115 PolarHBondContact O-N 3.03Å; K67-Y115 HydrophobicContact CB-CD2 4.21Å; K67-Y115 HydrophobicContact CD-CD2 4.44Å; K67-Y115 HydrophobicContact CD-CE2 4.21Å; K67-Y115 HydrophobicContact CG-CD2 3.28Å; K67-Y115 HydrophobicContact CG-CE2 3.35Å; K67-Y115 HydrophobicContact CG-CG 4.2Å; H75-Y115 AromaticContact ND1-CE1 3.84Å; H75-Y115 AromaticContact ND1-CZ 3.71Å; H75-Y115 PolarHBondContact ND1-OH 3.11Å; Y115-I121 HydrophobicContact CD1-CD1 4.4Å; Y115-I121 HydrophobicContact CD1-CG1 3.83Å; Y115-I121 HydrophobicContact CE1-CD1 3.88Å; Y115-I121 HydrophobicContact CE1-CG1 3.82Å |
| 116 | L | 86 | Confident | 91.9 | Very high | 47 Ų | 47 | 29.3 Ų | 29.3 | 25% | 0.246 | 16% | 0.156 | C | C | . | . | trans | -97.5 | 166.3 | 168.8 | -57 | -179.2 | 0 | 0 | 0 | 110.3 | D118 S119 K120 L122 L136 L163 | L116-D118 PolarHBondContact O-N 3.49Å; L116-D118 VanDerWaalsContact O-N 3.16Å; L116-S119 PolarHBondContact O-N 3.17Å; L116-K120 HydrophobicContact CB-CB 4.46Å; L116-K120 PolarHBondContact N-O 3.43Å; L116-L122 HydrophobicContact CD1-CB 4.1Å; L116-L122 HydrophobicContact CD2-CB 4.31Å; L116-L122 HydrophobicContact CG-CB 4.16Å; L116-L136 HydrophobicContact CD1-CD1 3.75Å; L116-L163 HydrophobicContact CD2-CD2 4.13Å | ||
| 117 | E | 73.3 | Confident | 91.9 | Very high | 165 Ų | 165 | 29 Ų | 29 | 77% | 0.771 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -24.3 | -174.1 | -66.1 | 179.6 | 178.6 | 0 | 0 | 113.9 | S119 | E117-S119 VanDerWaalsContact C-N 3.3Å; E117-S119 PolarHBondContact O-N 3.35Å |
| 118 | D | 68.2 | Low | 91.8 | Very high | 106 Ų | 106 | 29.4 Ų | 29.4 | 57% | 0.567 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 19.5 | 177.9 | -67.3 | -15.2 | 0 | 0 | 0 | 114 | L116 K120 | L116-D118 PolarHBondContact O-N 3.49Å; L116-D118 VanDerWaalsContact O-N 3.16Å; D118-K120 HydrophobicContact CB-CD 3.98Å; D118-K120 HydrophobicContact CB-CG 3.99Å; D118-K120 PolarHBondContact O-N 3.24Å; D118-K120 IonicContact OD2-NZ 2.78Å; D118-K120 PolarHBondContact OD2-NZ 3.06Å |
| 119 | S | 76.9 | Confident | 91.7 | Very high | 72 Ų | 72 | 30.8 Ų | 30.8 | 50% | 0.503 | 16% | 0.164 | S | C | . | . | S | Bend | trans | 61.9 | -3.3 | -168.6 | -55 | 0 | 0 | 0 | 0 | 115.8 | L116 E117 | L116-S119 PolarHBondContact O-N 3.17Å; E117-S119 VanDerWaalsContact C-N 3.3Å; E117-S119 PolarHBondContact O-N 3.35Å |
| 120 | K | 89.4 | Confident | 91.7 | Very high | 63 Ų | 63 | 29.3 Ų | 29.3 | 27% | 0.274 | 16% | 0.157 | S | C | . | . | trans | -63.3 | 148.3 | 172.3 | -62.2 | 172.4 | -173.5 | 149.9 | 0 | 111.2 | L116 D118 L136 C137 | L116-K120 HydrophobicContact CB-CB 4.46Å; L116-K120 PolarHBondContact N-O 3.43Å; D118-K120 HydrophobicContact CB-CD 3.98Å; D118-K120 HydrophobicContact CB-CG 3.99Å; D118-K120 PolarHBondContact O-N 3.24Å; D118-K120 IonicContact OD2-NZ 2.78Å; D118-K120 PolarHBondContact OD2-NZ 3.06Å; K120-L136 HydrophobicContact CB-CD1 3.86Å; K120-L136 HydrophobicContact CD-CD1 4.14Å; K120-L136 HydrophobicContact CD-CD2 4.2Å; K120-L136 HydrophobicContact CD-CG 4.35Å; K120-C137 WeakPolarHBondContact CA-O 3.39Å | ||
| 121 | I | 93.8 | Very high | 91.7 | Very high | 9 Ų | 9 | 30 Ų | 30 | 5% | 0.046 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.6 | 177.3 | -61.2 | 170.2 | 0 | 0 | 0 | 108.6 | V65 H75 L87 A113 Y115 I123 C137 | V65-I121 HydrophobicContact CG1-CD1 4.46Å; V65-I121 HydrophobicContact CG1-CG1 4.32Å; V65-I121 HydrophobicContact CG1-CG2 3.76Å; V65-I121 HydrophobicContact CG2-CG2 4.28Å; H75-I121 HydrophobicContact CB-CD1 4.21Å; L87-I121 HydrophobicContact CD1-CD1 4.17Å; L87-I121 HydrophobicContact CD2-CD1 4.03Å; A113-I121 HydrophobicContact CB-CG2 4.31Å; Y115-I121 HydrophobicContact CD1-CD1 4.4Å; Y115-I121 HydrophobicContact CD1-CG1 3.83Å; Y115-I121 HydrophobicContact CE1-CD1 3.88Å; Y115-I121 HydrophobicContact CE1-CG1 3.82Å; I121-I123 HydrophobicContact CG2-CD1 4.43Å; I121-I123 HydrophobicContact CG2-CG1 3.86Å; I121-C137 HydrophobicContact CB-CB 4.28Å; I121-C137 PolarHBondContact N-O 2.88Å; I121-C137 PolarHBondContact O-N 3.33Å |
| 122 | L | 94.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 124.3 | 170.8 | -175.4 | 66.9 | 0 | 0 | 0 | 108.8 | A113 V114 L116 L134 W135 L146 L161 P170 | A113-L122 VanDerWaalsContact CA-O 3.26Å; A113-L122 WeakPolarHBondContact CA-O 3.25Å; V114-L122 HydrophobicContact CG2-CB 4.15Å; V114-L122 PolarHBondContact N-O 2.85Å; V114-L122 PolarHBondContact O-N 2.98Å; L116-L122 HydrophobicContact CD1-CB 4.1Å; L116-L122 HydrophobicContact CD2-CB 4.31Å; L116-L122 HydrophobicContact CG-CB 4.16Å; L122-L134 HydrophobicContact CD1-CB 4.36Å; L122-W135 WeakPolarHBondContact CA-O 3.45Å; L122-L146 HydrophobicContact CD1-CD1 4.12Å; L122-L161 HydrophobicContact CD2-CD1 4.38Å; L122-L161 HydrophobicContact CD2-CD2 4.42Å; L122-L161 HydrophobicContact CG-CD1 4.22Å; L122-P170 HydrophobicContact CD2-CB 3.77Å; L122-P170 HydrophobicContact CD2-CG 3.78Å |
| 123 | I | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 130.2 | 179.6 | -54 | 176.8 | 0 | 0 | 0 | 108.8 | V77 I85 D112 A113 I121 L134 W135 | V77-I123 HydrophobicContact CG1-CD1 4.27Å; V77-I123 HydrophobicContact CG1-CG2 3.93Å; V77-I123 HydrophobicContact CG2-CD1 3.8Å; V77-I123 HydrophobicContact CG2-CG1 4.16Å; I85-I123 HydrophobicContact CG2-CG2 4.41Å; D112-I123 CarbonylContact O-C 3.57Å; D112-I123 WeakPolarHBondContact O-CA 3.49Å; A113-I123 HydrophobicContact CB-CG1 4.14Å; I121-I123 HydrophobicContact CG2-CD1 4.43Å; I121-I123 HydrophobicContact CG2-CG1 3.86Å; I123-L134 CarbonylContact O-C 3.54Å; I123-L134 WeakPolarHBondContact O-CA 3.36Å; I123-W135 HydrophobicContact CB-CB 4.24Å; I123-W135 PolarHBondContact N-O 2.94Å; I123-W135 PolarHBondContact O-N 3.22Å |
| 124 | A | 97.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 141.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V111 D112 R133 L134 V159 L161 L172 | V111-A124 CarbonylContact C-O 3.59Å; V111-A124 VanDerWaalsContact CA-O 3.25Å; V111-A124 WeakPolarHBondContact CA-O 3.13Å; D112-A124 PolarHBondContact N-O 2.9Å; D112-A124 PolarHBondContact O-N 3Å; A124-R133 WeakPolarHBondContact CA-O 3.23Å; A124-L134 HydrophobicContact CB-CD2 3.61Å; A124-V159 HydrophobicContact CB-CB 4.43Å; A124-V159 HydrophobicContact CB-CG2 4.14Å; A124-L161 HydrophobicContact CB-CD1 3.58Å; A124-L161 HydrophobicContact CB-CD2 4.2Å; A124-L161 HydrophobicContact CB-CG 3.7Å; A124-L172 HydrophobicContact CB-CD1 3.74Å |
| 125 | S | 97.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 134.4 | 175.4 | 59.7 | 0 | 0 | 0 | 0 | 112 | I85 H104 A110 V132 R133 W135 | I85-S125 VanDerWaalsContact CD1-OG 3.26Å; I85-S125 WeakPolarHBondContact CD1-OG 3.24Å; H104-S125 PolarHBondContact NE2-OG 2.86Å; A110-S125 WeakPolarHBondContact O-CA 3.4Å; S125-V132 CarbonylContact O-C 3.56Å; S125-V132 VanDerWaalsContact O-CA 3.24Å; S125-V132 WeakPolarHBondContact O-CA 3.43Å; S125-R133 PolarHBondContact N-O 2.82Å; S125-R133 PolarHBondContact O-N 3.07Å; S125-W135 PolarHBondContact OG-NE1 2.81Å |
| 126 | S | 97.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 148.3 | 167 | 70.9 | 0 | 0 | 0 | 0 | 111.1 | V108 N109 A110 M156 | V108-S126 WeakPolarHBondContact CA-O 3.35Å; V108-S126 WeakPolarHBondContact CG1-O 3.22Å; N109-S126 PolarHBondContact N-O 3.14Å; A110-S126 WeakPolarHBondContact CB-OG 3.41Å; A110-S126 PolarHBondContact N-OG 2.65Å; A110-S126 PolarHBondContact O-N 3.1Å; S126-M156 WeakPolarHBondContact CB-O 3.43Å; S126-M156 PolarHBondContact OG-O 2.82Å; S126-M156 VanDerWaalsContact OG-O 3.06Å |
| 127 | S | 97.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.014 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 157.2 | -178.5 | 173.2 | 0 | 0 | 0 | 0 | 112.3 | H104 G106 P107 D129 S130 T131 | H104-S127 VanDerWaalsContact CE1-CB 3.48Å; H104-S127 WeakPolarHBondContact CE1-CB 3.4Å; H104-S127 WeakPolarHBondContact ND1-CB 3.43Å; G106-S127 VanDerWaalsContact C-OG 3.25Å; G106-S127 PolarHBondContact O-OG 3.2Å; P107-S127 CarbonylContact O-C 3.58Å; P107-S127 WeakPolarHBondContact O-CA 3.45Å; P107-S127 WeakPolarHBondContact O-CB 3.44Å; P107-S127 PolarHBondContact O-OG 3.1Å; S127-D129 VanDerWaalsContact CB-OD1 3.23Å; S127-D129 WeakPolarHBondContact CB-OD1 3.48Å; S127-D129 PolarHBondContact O-N 3.19Å; S127-D129 VanDerWaalsContact OG-CG 3.27Å; S127-D129 PolarHBondContact OG-N 2.84Å; S127-D129 VanDerWaalsContact OG-N 3.16Å; S127-D129 PolarHBondContact OG-OD1 2.62Å; S127-S130 PolarHBondContact O-N 3.15Å; S127-S130 VanDerWaalsContact O-N 3.16Å; S127-T131 PolarHBondContact N-O 2.93Å; S127-T131 VanDerWaalsContact N-O 3.12Å |
| 128 | S | 96 | Very high | 92.9 | Very high | 51 Ų | 51 | 22.5 Ų | 22.5 | 36% | 0.357 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -3.5 | 168.8 | -64.8 | 0 | 0 | 0 | 0 | 113.5 | P107 N109 S130 | P107-S128 PolarHBondContact O-N 2.86Å; N109-S128 PolarHBondContact ND2-N 3.01Å; N109-S128 VanDerWaalsContact ND2-N 3.17Å; N109-S128 PolarHBondContact ND2-OG 3.41Å; S128-S130 PolarHBondContact O-N 2.96Å |
| 129 | D | 96.3 | Very high | 93.5 | Very high | 29 Ų | 29 | 22.9 Ų | 22.9 | 16% | 0.155 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 10.5 | 166.2 | 68.1 | 15 | 0 | 0 | 0 | 113.8 | H104 T105 S127 T131 | H104-D129 VanDerWaalsContact CA-OD2 3.32Å; H104-D129 WeakPolarHBondContact CA-OD2 3.46Å; H104-D129 IonicContact CE1-OD1 2.8Å; H104-D129 IonicContact CG-OD2 3.95Å; H104-D129 IonicContact ND1-OD1 2.73Å; H104-D129 PolarHBondContact ND1-OD1 3.39Å; H104-D129 IonicContact ND1-OD2 3.23Å; H104-D129 PolarHBondContact ND1-OD2 3.19Å; T105-D129 PolarHBondContact N-OD2 3.23Å; T105-D129 VanDerWaalsContact OG1-CB 3.26Å; T105-D129 WeakPolarHBondContact OG1-CB 3.19Å; S127-D129 VanDerWaalsContact CB-OD1 3.23Å; S127-D129 WeakPolarHBondContact CB-OD1 3.48Å; S127-D129 PolarHBondContact O-N 3.19Å; S127-D129 VanDerWaalsContact OG-CG 3.27Å; S127-D129 PolarHBondContact OG-N 2.84Å; S127-D129 VanDerWaalsContact OG-N 3.16Å; S127-D129 PolarHBondContact OG-OD1 2.62Å; D129-T131 VanDerWaalsContact CG-OG1 3.3Å; D129-T131 PolarHBondContact O-N 2.8Å; D129-T131 WeakPolarHBondContact OD1-CB 3.47Å; D129-T131 PolarHBondContact OD1-N 2.92Å; D129-T131 PolarHBondContact OD1-OG1 3.38Å; D129-T131 PolarHBondContact OD2-OG1 3.06Å |
| 130 | S | 95.9 | Very high | 93.6 | Very high | 14 Ų | 14 | 25.8 Ų | 25.8 | 10% | 0.098 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 61.4 | 24.6 | -179.2 | -59.4 | 0 | 0 | 0 | 0 | 113.5 | S127 S128 F151 G152 S154 F155 | S127-S130 PolarHBondContact O-N 3.15Å; S127-S130 VanDerWaalsContact O-N 3.16Å; S128-S130 PolarHBondContact O-N 2.96Å; S130-F151 PolarHBondContact O-N 3.17Å; S130-G152 VanDerWaalsContact CB-O 3.25Å; S130-G152 WeakPolarHBondContact CB-O 3.28Å; S130-S154 VanDerWaalsContact CB-O 3.3Å; S130-S154 WeakPolarHBondContact CB-O 3.48Å; S130-S154 PolarHBondContact OG-O 3.01Å; S130-F155 WeakPolarHBondContact OG-CE1 3.3Å |
| 131 | T | 96.4 | Very high | 93.4 | Very high | 14 Ų | 14 | 27.7 Ų | 27.7 | 9% | 0.086 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 149.3 | 173.5 | 73.6 | 0 | 0 | 0 | 0 | 113 | H104 S127 D129 N148 V149 | H104-T131 PolarHBondContact CE1-OG1 3.49Å; H104-T131 VanDerWaalsContact CE1-OG1 3.26Å; H104-T131 PolarHBondContact ND1-OG1 3.16Å; S127-T131 PolarHBondContact N-O 2.93Å; S127-T131 VanDerWaalsContact N-O 3.12Å; D129-T131 VanDerWaalsContact CG-OG1 3.3Å; D129-T131 PolarHBondContact O-N 2.8Å; D129-T131 WeakPolarHBondContact OD1-CB 3.47Å; D129-T131 PolarHBondContact OD1-N 2.92Å; D129-T131 PolarHBondContact OD1-OG1 3.38Å; D129-T131 PolarHBondContact OD2-OG1 3.06Å; T131-N148 VanDerWaalsContact CB-OD1 3.27Å; T131-N148 WeakPolarHBondContact CB-OD1 3.37Å; T131-N148 WeakPolarHBondContact CG2-OD1 3.37Å; T131-V149 CarbonylContact C-O 3.57Å; T131-V149 VanDerWaalsContact CA-O 3.26Å; T131-V149 WeakPolarHBondContact CA-O 3.34Å |
| 132 | V | 96.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 131.7 | 163.1 | 177.9 | 0 | 0 | 0 | 0 | 108.5 | S125 V149 F151 M156 V159 L172 | S125-V132 CarbonylContact O-C 3.56Å; S125-V132 VanDerWaalsContact O-CA 3.24Å; S125-V132 WeakPolarHBondContact O-CA 3.43Å; V132-V149 PolarHBondContact N-O 2.78Å; V132-V149 PolarHBondContact O-N 3.06Å; V132-F151 HydrophobicContact CB-CE2 3.93Å; V132-F151 HydrophobicContact CG2-CD2 4.28Å; V132-F151 HydrophobicContact CG2-CE2 3.61Å; V132-F151 HydrophobicContact CG2-CZ 4.37Å; V132-M156 HydrophobicContact CG2-CB 3.79Å; V132-M156 HydrophobicContact CG2-CG 3.69Å; V132-V159 HydrophobicContact CG1-CG1 3.98Å; V132-V159 HydrophobicContact CG2-CG1 4.14Å; V132-L172 HydrophobicContact CG1-CD2 3.89Å |
| 133 | R | 95.9 | Very high | 93 | Very high | 35 Ų | 35 | 35.8 Ų | 35.8 | 13% | 0.132 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 145.4 | -178.4 | -67.2 | -177.7 | -179.3 | -143.3 | 10.1 | 111.8 | G103 A124 S125 W135 H147 N148 | G103-R133 PolarHBondContact O-NH1 2.84Å; G103-R133 PolarHBondContact O-NH2 2.74Å; A124-R133 WeakPolarHBondContact CA-O 3.23Å; S125-R133 PolarHBondContact N-O 2.82Å; S125-R133 PolarHBondContact O-N 3.07Å; R133-W135 HydrophobicContact CB-CZ2 3.9Å; R133-W135 VanDerWaalsContact CD-CZ2 3.46Å; R133-W135 HydrophobicContact CG-CZ2 4.34Å; R133-H147 VanDerWaalsContact CA-O 3.29Å; R133-H147 WeakPolarHBondContact CA-O 3.32Å; R133-N148 HydrophobicContact CG-CB 4.25Å |
| 134 | L | 95.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.5 | 170.3 | -68.2 | -175.8 | 0 | 0 | 0 | 109.8 | L122 I123 A124 C145 L146 H147 L161 L172 L191 | L122-L134 HydrophobicContact CD1-CB 4.36Å; I123-L134 CarbonylContact O-C 3.54Å; I123-L134 WeakPolarHBondContact O-CA 3.36Å; A124-L134 HydrophobicContact CB-CD2 3.61Å; L134-C145 CarbonylContact O-C 3.56Å; L134-L146 PolarHBondContact O-N 2.98Å; L134-H147 HydrophobicContact CB-CB 4.3Å; L134-H147 PolarHBondContact N-O 3.19Å; L134-H147 PolarHBondContact O-N 2.8Å; L134-L161 HydrophobicContact CD2-CD2 4.14Å; L134-L172 HydrophobicContact CD2-CD2 4.34Å; L134-L191 HydrophobicContact CD1-CB 4.44Å; L134-L191 HydrophobicContact CD1-CD1 3.84Å; L134-L191 HydrophobicContact CD1-CD2 3.73Å; L134-L191 HydrophobicContact CD1-CG 4.21Å; L134-L191 HydrophobicContact CG-CD2 4.26Å |
| 135 | W | 95.1 | Very high | 92.6 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 2% | 0.023 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 130.7 | -178 | -45.4 | 83.9 | 0 | 0 | 0 | 109.7 | I85 C101 L122 I123 S125 R133 V143 E144 C145 | I85-W135 HydrophobicContact CD1-CZ2 4.12Å; C101-W135 HydrophobicContact CB-CD2 3.81Å; C101-W135 HydrophobicContact CB-CE3 3.74Å; C101-W135 HydrophobicContact CB-CG 4.3Å; C101-W135 HydrophobicContact CB-CH2 4.35Å; C101-W135 HydrophobicContact CB-CZ2 4.43Å; C101-W135 HydrophobicContact CB-CZ3 4.02Å; L122-W135 WeakPolarHBondContact CA-O 3.45Å; I123-W135 HydrophobicContact CB-CB 4.24Å; I123-W135 PolarHBondContact N-O 2.94Å; I123-W135 PolarHBondContact O-N 3.22Å; S125-W135 PolarHBondContact OG-NE1 2.81Å; R133-W135 HydrophobicContact CB-CZ2 3.9Å; R133-W135 VanDerWaalsContact CD-CZ2 3.46Å; R133-W135 HydrophobicContact CG-CZ2 4.34Å; W135-V143 HydrophobicContact CB-CG1 4.2Å; W135-V143 HydrophobicContact CE3-CG1 3.79Å; W135-E144 CarbonylContact C-O 3.54Å; W135-E144 VanDerWaalsContact CA-O 3.29Å; W135-E144 WeakPolarHBondContact CA-O 3.21Å; W135-C145 HydrophobicContact CD2-CB 4.5Å; W135-C145 HydrophobicContact CE3-CB 3.68Å; W135-C145 HydrophobicContact CH2-CB 4.35Å; W135-C145 HydrophobicContact CZ3-CB 3.61Å |
| 136 | L | 93.7 | Very high | 92.2 | Very high | 24 Ų | 24 | 46 Ų | 46 | 13% | 0.126 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 116.7 | 172.3 | -171.9 | 64.8 | 0 | 0 | 0 | 108.8 | L116 K120 V143 E144 L146 | L116-L136 HydrophobicContact CD1-CD1 3.75Å; K120-L136 HydrophobicContact CB-CD1 3.86Å; K120-L136 HydrophobicContact CD-CD1 4.14Å; K120-L136 HydrophobicContact CD-CD2 4.2Å; K120-L136 HydrophobicContact CD-CG 4.35Å; L136-V143 WeakPolarHBondContact O-CA 3.47Å; L136-E144 PolarHBondContact N-O 3.37Å; L136-E144 PolarHBondContact O-N 3.36Å; L136-L146 HydrophobicContact CB-CD1 3.83Å; L136-L146 HydrophobicContact CB-CD2 4.11Å; L136-L146 HydrophobicContact CB-CG 3.85Å; L136-L146 HydrophobicContact CD2-CD1 4.33Å; L136-L146 HydrophobicContact CD2-CD2 4.28Å |
| 137 | C | 93.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 3% | 0.027 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 122.7 | 175.1 | -60.9 | 0 | 0 | 0 | 0 | 109 | L87 K120 I121 E142 | L87-C137 HydrophobicContact CD2-CB 4.15Å; K120-C137 WeakPolarHBondContact CA-O 3.39Å; I121-C137 HydrophobicContact CB-CB 4.28Å; I121-C137 PolarHBondContact N-O 2.88Å; I121-C137 PolarHBondContact O-N 3.33Å; C137-E142 WeakPolarHBondContact CA-O 3.01Å |
| 138 | S | 88 | Confident | 91.6 | Very high | 37 Ų | 37 | 51.4 Ų | 51.4 | 26% | 0.259 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -96.5 | 159.5 | 177.6 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | N140 K141 E142 | S138-N140 PolarHBondContact O-N 2.8Å; S138-N140 VanDerWaalsContact O-N 3.1Å; S138-K141 WeakPolarHBondContact O-CA 3.36Å; S138-K141 PolarHBondContact O-N 3.48Å; S138-E142 PolarHBondContact N-O 3.47Å |
| 139 | D | 80.3 | Confident | 91.5 | Very high | 114 Ų | 114 | 50 Ų | 50 | 61% | 0.61 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.4 | 178.3 | -67.1 | -13.8 | 0 | 0 | 0 | 113.3 | K141 | D139-K141 PolarHBondContact O-N 2.73Š|
| 140 | N | 80.2 | Confident | 91.3 | Very high | 134 Ų | 134 | 52.7 Ų | 52.7 | 72% | 0.717 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 9.1 | 174.9 | -66.9 | -10 | 0 | 0 | 0 | 113.8 | S138 E142 | S138-N140 PolarHBondContact O-N 2.8Å; S138-N140 VanDerWaalsContact O-N 3.1Å; N140-E142 HydrophobicContact CB-CG 4.44Å; N140-E142 PolarHBondContact O-N 3.32Å |
| 141 | K | 84.4 | Confident | 91 | Very high | 102 Ų | 102 | 53.3 Ų | 53.3 | 44% | 0.443 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 63.7 | 22.4 | -178.4 | -57.7 | -177.4 | 172.5 | -170.3 | 0 | 114.2 | S98 V99 S138 D139 | S98-K141 WeakPolarHBondContact OG-CE 3.34Å; V99-K141 WeakPolarHBondContact CG1-O 3.36Å; V99-K141 HydrophobicContact CG2-CB 3.84Å; V99-K141 HydrophobicContact CG2-CG 4.11Å; S138-K141 WeakPolarHBondContact O-CA 3.36Å; S138-K141 PolarHBondContact O-N 3.48Å; D139-K141 PolarHBondContact O-N 2.73Å |
| 142 | E | 87.7 | Confident | 90.8 | Very high | 131 Ų | 131 | 55.2 Ų | 55.2 | 61% | 0.612 | 31% | 0.306 | S | S | * | . | trans | -86.6 | 140.3 | 172.2 | -65.5 | -175.4 | 159.6 | 0 | 0 | 110.2 | C137 S138 N140 | C137-E142 WeakPolarHBondContact CA-O 3.01Å; S138-E142 PolarHBondContact N-O 3.47Å; N140-E142 HydrophobicContact CB-CG 4.44Å; N140-E142 PolarHBondContact O-N 3.32Å | ||
| 143 | V | 92.3 | Very high | 90.4 | Very high | 50 Ų | 50 | 60 Ų | 60 | 30% | 0.303 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 128.3 | 175.1 | -173.2 | 0 | 0 | 0 | 0 | 109.5 | V99 C101 W135 L136 | V99-V143 HydrophobicContact CB-CG2 4.2Å; V99-V143 HydrophobicContact CG1-CG2 3.07Å; C101-V143 HydrophobicContact CB-CG1 4.07Å; W135-V143 HydrophobicContact CB-CG1 4.2Å; W135-V143 HydrophobicContact CE3-CG1 3.79Å; L136-V143 WeakPolarHBondContact O-CA 3.47Å |
| 144 | E | 92.5 | Very high | 90.2 | Very high | 120 Ų | 120 | 59.9 Ų | 59.9 | 56% | 0.561 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 130.1 | 169 | -171.8 | -179.8 | 177.8 | 0 | 0 | 110 | W135 L136 L146 | W135-E144 CarbonylContact C-O 3.54Å; W135-E144 VanDerWaalsContact CA-O 3.29Å; W135-E144 WeakPolarHBondContact CA-O 3.21Å; L136-E144 PolarHBondContact N-O 3.37Å; L136-E144 PolarHBondContact O-N 3.36Å; E144-L146 HydrophobicContact CB-CD2 4.47Å; E144-L146 HydrophobicContact CG-CD2 4.05Å; E144-L146 PolarHBondContact O-N 2.9Å |
| 145 | C | 92.7 | Very high | 89.9 | Confident | 50 Ų | 50 | 63.7 Ų | 63.7 | 34% | 0.338 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 95.3 | 169.1 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | L134 W135 | L134-C145 CarbonylContact O-C 3.56Å; W135-C145 HydrophobicContact CD2-CB 4.5Å; W135-C145 HydrophobicContact CE3-CB 3.68Å; W135-C145 HydrophobicContact CH2-CB 4.35Å; W135-C145 HydrophobicContact CZ3-CB 3.61Å |
| 146 | L | 90 | Very high | 89.9 | Confident | 45 Ų | 45 | 63.5 Ų | 63.5 | 24% | 0.236 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | -47.9 | -177.4 | -63.5 | -176.8 | 0 | 0 | 0 | 111.7 | L122 L134 L136 E144 | L122-L146 HydrophobicContact CD1-CD1 4.12Å; L134-L146 PolarHBondContact O-N 2.98Å; L136-L146 HydrophobicContact CB-CD1 3.83Å; L136-L146 HydrophobicContact CB-CD2 4.11Å; L136-L146 HydrophobicContact CB-CG 3.85Å; L136-L146 HydrophobicContact CD2-CD1 4.33Å; L136-L146 HydrophobicContact CD2-CD2 4.28Å; E144-L146 HydrophobicContact CB-CD2 4.47Å; E144-L146 HydrophobicContact CG-CD2 4.05Å; E144-L146 PolarHBondContact O-N 2.9Å |
| 147 | H | 88.9 | Confident | 90 | Very high | 28 Ų | 28 | 64 Ų | 64 | 13% | 0.13 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 148.8 | -172.7 | -60.7 | -48 | 0 | 0 | 0 | 112.3 | R133 L134 G189 Q190 L191 | R133-H147 VanDerWaalsContact CA-O 3.29Å; R133-H147 WeakPolarHBondContact CA-O 3.32Å; L134-H147 HydrophobicContact CB-CB 4.3Å; L134-H147 PolarHBondContact N-O 3.19Å; L134-H147 PolarHBondContact O-N 2.8Å; H147-G189 PolarHBondContact CE1-O 2.84Å; H147-G189 PolarHBondContact NE2-O 2.89Å; H147-Q190 WeakPolarHBondContact CE1-CA 3.22Å; H147-L191 HydrophobicContact CB-CB 4.03Å; H147-L191 PolarHBondContact NE2-N 3.45Å |
| 148 | N | 92.4 | Very high | 90.1 | Very high | 86 Ų | 86 | 63.8 Ų | 63.8 | 46% | 0.46 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 107.7 | 174 | 179 | 14 | 0 | 0 | 0 | 108.3 | T131 R133 | T131-N148 VanDerWaalsContact CB-OD1 3.27Å; T131-N148 WeakPolarHBondContact CB-OD1 3.37Å; T131-N148 WeakPolarHBondContact CG2-OD1 3.37Å; R133-N148 HydrophobicContact CG-CB 4.25Å |
| 149 | V | 93.2 | Very high | 90.6 | Very high | 23 Ų | 23 | 62 Ų | 62 | 14% | 0.139 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 119.2 | 179.6 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | T131 V132 F151 Y184 L191 | T131-V149 CarbonylContact C-O 3.57Å; T131-V149 VanDerWaalsContact CA-O 3.26Å; T131-V149 WeakPolarHBondContact CA-O 3.34Å; V132-V149 PolarHBondContact N-O 2.78Å; V132-V149 PolarHBondContact O-N 3.06Å; V149-F151 HydrophobicContact CB-CE2 4.08Å; V149-F151 HydrophobicContact CG1-CD2 4.34Å; V149-F151 HydrophobicContact CG1-CE2 3.67Å; V149-F151 HydrophobicContact CG1-CZ 3.83Å; V149-Y184 HydrophobicContact CG1-CE1 3.92Å; V149-Y184 HydrophobicContact CG2-CE1 4.49Å; V149-L191 HydrophobicContact CG2-CD2 3.84Å |
| 150 | S | 92.7 | Very high | 91.4 | Very high | 84 Ų | 84 | 56.8 Ų | 56.8 | 59% | 0.587 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93 | 135.9 | 175.2 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | G152 | S150-G152 PolarHBondContact OG-N 3.25Å |
| 151 | F | 90.6 | Very high | 92.1 | Very high | 27 Ų | 27 | 50.9 Ų | 50.9 | 12% | 0.118 | 29% | 0.288 | C | S | . | . | trans | -105.2 | 19.5 | 176.1 | -67.1 | -94.4 | 0 | 0 | 0 | 112.2 | S130 V132 V149 S153 S154 M156 C174 H182 Y184 | S130-F151 PolarHBondContact O-N 3.17Å; V132-F151 HydrophobicContact CB-CE2 3.93Å; V132-F151 HydrophobicContact CG2-CD2 4.28Å; V132-F151 HydrophobicContact CG2-CE2 3.61Å; V132-F151 HydrophobicContact CG2-CZ 4.37Å; V149-F151 HydrophobicContact CB-CE2 4.08Å; V149-F151 HydrophobicContact CG1-CD2 4.34Å; V149-F151 HydrophobicContact CG1-CE2 3.67Å; V149-F151 HydrophobicContact CG1-CZ 3.83Å; F151-S153 PolarHBondContact O-N 2.82Å; F151-S153 VanDerWaalsContact O-N 3.1Å; F151-S154 WeakPolarHBondContact O-CB 3.43Å; F151-S154 PolarHBondContact O-N 3.08Å; F151-M156 HydrophobicContact CB-CE 4.36Å; F151-M156 HydrophobicContact CD1-CE 3.73Å; F151-M156 HydrophobicContact CD1-CG 4.19Å; F151-M156 HydrophobicContact CD1-SD 3.91Å; F151-M156 HydrophobicContact CD2-CG 3.75Å; F151-M156 HydrophobicContact CE1-CE 4.2Å; F151-M156 HydrophobicContact CE1-CG 4.17Å; F151-M156 HydrophobicContact CE1-SD 3.77Å; F151-M156 HydrophobicContact CE2-CG 3.75Å; F151-M156 HydrophobicContact CE2-SD 4.41Å; F151-M156 HydrophobicContact CG-CE 4.04Å; F151-M156 HydrophobicContact CG-CG 3.98Å; F151-M156 HydrophobicContact CG-SD 4.28Å; F151-M156 HydrophobicContact CZ-CG 3.95Å; F151-M156 HydrophobicContact CZ-SD 4.04Å; F151-C174 HydrophobicContact CZ-CB 4.48Å; F151-H182 AromaticContact CE1-CD2 3.61Å; F151-Y184 HydrophobicContact CE1-CE2 4.04Å; F151-Y184 WeakPolarHBondContact CE1-OH 3.28Å; F151-Y184 AromaticContact CZ-CE2 3.72Å; F151-Y184 HydrophobicContact CZ-CE2 3.72Å; F151-Y184 AromaticContact CZ-CZ 3.88Å; F151-Y184 WeakPolarHBondContact CZ-OH 3.34Å | ||
| 152 | G | 90.8 | Very high | 92.5 | Very high | 55 Ų | 55 | 46.5 Ų | 46.5 | 57% | 0.567 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.9 | -113 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S130 S150 | S130-G152 VanDerWaalsContact CB-O 3.25Å; S130-G152 WeakPolarHBondContact CB-O 3.28Å; S150-G152 PolarHBondContact OG-N 3.25Å |
| 153 | S | 88.5 | Confident | 92.7 | Very high | 104 Ų | 104 | 41.5 Ų | 41.5 | 73% | 0.727 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -7.3 | 177.7 | 56.9 | 0 | 0 | 0 | 0 | 114.4 | F151 | F151-S153 PolarHBondContact O-N 2.82Å; F151-S153 VanDerWaalsContact O-N 3.1Å |
| 154 | S | 90.9 | Very high | 92.6 | Very high | 31 Ų | 31 | 39.2 Ų | 39.2 | 22% | 0.217 | 24% | 0.235 | C | C | . | . | trans | -82.2 | 152.9 | -178.4 | -73.4 | 0 | 0 | 0 | 0 | 112 | S130 F151 D177 | S130-S154 VanDerWaalsContact CB-O 3.3Å; S130-S154 WeakPolarHBondContact CB-O 3.48Å; S130-S154 PolarHBondContact OG-O 3.01Å; F151-S154 WeakPolarHBondContact O-CB 3.43Å; F151-S154 PolarHBondContact O-N 3.08Å; S154-D177 WeakPolarHBondContact CA-OD1 3.31Å; S154-D177 WeakPolarHBondContact CB-OD1 3.32Å; S154-D177 PolarHBondContact OG-OD1 3.29Å | ||
| 155 | F | 90.6 | Very high | 92.3 | Very high | 82 Ų | 82 | 34.2 Ų | 34.2 | 36% | 0.36 | 21% | 0.213 | S | C | . | . | trans | -117.1 | 125.3 | -177.9 | -60.8 | -77.4 | 0 | 0 | 0 | 111 | S130 M157 G176 D177 | S130-F155 WeakPolarHBondContact OG-CE1 3.3Å; F155-M157 HydrophobicContact CB-CE 4.09Å; F155-G176 VanDerWaalsContact O-CA 3.26Å; F155-G176 WeakPolarHBondContact O-CA 3.5Å; F155-D177 PolarHBondContact N-OD1 2.98Å; F155-D177 PolarHBondContact N-OD2 2.84Å; F155-D177 PolarHBondContact O-N 2.91Å | ||
| 156 | M | 94.9 | Very high | 91.7 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 114.2 | 174.2 | -61.3 | -61.4 | 104 | 0 | 0 | 109.8 | S126 V132 F151 C174 G175 | S126-M156 WeakPolarHBondContact CB-O 3.43Å; S126-M156 PolarHBondContact OG-O 2.82Å; S126-M156 VanDerWaalsContact OG-O 3.06Å; V132-M156 HydrophobicContact CG2-CB 3.79Å; V132-M156 HydrophobicContact CG2-CG 3.69Å; F151-M156 HydrophobicContact CB-CE 4.36Å; F151-M156 HydrophobicContact CD1-CE 3.73Å; F151-M156 HydrophobicContact CD1-CG 4.19Å; F151-M156 HydrophobicContact CD1-SD 3.91Å; F151-M156 HydrophobicContact CD2-CG 3.75Å; F151-M156 HydrophobicContact CE1-CE 4.2Å; F151-M156 HydrophobicContact CE1-CG 4.17Å; F151-M156 HydrophobicContact CE1-SD 3.77Å; F151-M156 HydrophobicContact CE2-CG 3.75Å; F151-M156 HydrophobicContact CE2-SD 4.41Å; F151-M156 HydrophobicContact CG-CE 4.04Å; F151-M156 HydrophobicContact CG-CG 3.98Å; F151-M156 HydrophobicContact CG-SD 4.28Å; F151-M156 HydrophobicContact CZ-CG 3.95Å; F151-M156 HydrophobicContact CZ-SD 4.04Å; M156-C174 HydrophobicContact CG-CB 4.22Å; M156-C174 HydrophobicContact SD-CB 3.7Å; M156-G175 CarbonylContact C-O 3.54Å; M156-G175 WeakPolarHBondContact CA-O 3.08Å |
| 157 | M | 94.9 | Very high | 91.4 | Very high | 34 Ų | 34 | 35 Ų | 35 | 17% | 0.167 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | -33.9 | -174.5 | -60.8 | -63.5 | 173.7 | 0 | 0 | 112.4 | N20 F155 G175 D177 W203 V204 | N20-M157 PolarHBondContact ND2-O 3.34Å; F155-M157 HydrophobicContact CB-CE 4.09Å; M157-G175 PolarHBondContact N-O 3.36Å; M157-D177 HydrophobicContact CE-CB 4.29Å; M157-W203 HydrophobicContact CE-CD2 4.24Å; M157-W203 HydrophobicContact CE-CE3 3.64Å; M157-W203 HydrophobicContact CE-CH2 4.44Å; M157-W203 HydrophobicContact CE-CZ3 3.75Å; M157-V204 WeakPolarHBondContact CB-O 3.48Å |
| 158 | D | 96.7 | Very high | 91.2 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 153.6 | 178 | -166.5 | 24.3 | 0 | 0 | 0 | 111.5 | N20 G175 G206 A207 K208 | N20-D158 PolarHBondContact OD1-OD1 3.29Å; D158-G175 PolarHBondContact N-O 3.33Å; D158-G175 PolarHBondContact O-N 3.44Å; D158-G206 WeakPolarHBondContact OD2-CA 3.31Å; D158-A207 PolarHBondContact OD2-N 2.84Å; D158-K208 VanDerWaalsContact CG-NZ 3.26Å; D158-K208 IonicContact OD1-NZ 2.74Å; D158-K208 PolarHBondContact OD1-NZ 2.8Å; D158-K208 IonicContact OD2-NZ 3.13Å; D158-K208 PolarHBondContact OD2-NZ 2.78Å |
| 159 | V | 97.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 144.1 | 175.2 | -68.5 | 0 | 0 | 0 | 0 | 109.6 | A110 A124 V132 L172 A173 | A110-V159 HydrophobicContact CB-CG2 4.07Å; A124-V159 HydrophobicContact CB-CB 4.43Å; A124-V159 HydrophobicContact CB-CG2 4.14Å; V132-V159 HydrophobicContact CG1-CG1 3.98Å; V132-V159 HydrophobicContact CG2-CG1 4.14Å; V159-L172 HydrophobicContact CB-CD1 4.09Å; V159-L172 HydrophobicContact CG1-CD1 4.49Å; V159-A173 WeakPolarHBondContact CA-O 3.48Å |
| 160 | S | 96.9 | Very high | 91 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 3% | 0.028 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 134.5 | 170 | -171.4 | 0 | 0 | 0 | 0 | 113.2 | D112 L172 A173 A207 W209 | D112-S160 WeakPolarHBondContact OD2-CA 3.35Å; D112-S160 PolarHBondContact OD2-OG 2.89Å; S160-L172 WeakPolarHBondContact O-CA 3.35Å; S160-A173 PolarHBondContact N-O 2.86Å; S160-A173 PolarHBondContact O-N 3.41Å; S160-A207 WeakPolarHBondContact CB-O 3.29Å; S160-W209 PolarHBondContact O-NE1 3.16Å |
| 161 | L | 95.3 | Very high | 91 | Very high | 9 Ų | 9 | 26.7 Ų | 26.7 | 5% | 0.047 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 137.1 | -179.9 | -76.4 | 173 | 0 | 0 | 0 | 110.7 | D112 V114 L122 A124 L134 L172 | D112-L161 PolarHBondContact OD2-N 2.95Å; V114-L161 HydrophobicContact CG1-CB 4.02Å; V114-L161 HydrophobicContact CG2-CB 4.4Å; V114-L161 HydrophobicContact CG2-CD1 4.41Å; L122-L161 HydrophobicContact CD2-CD1 4.38Å; L122-L161 HydrophobicContact CD2-CD2 4.42Å; L122-L161 HydrophobicContact CG-CD1 4.22Å; A124-L161 HydrophobicContact CB-CD1 3.58Å; A124-L161 HydrophobicContact CB-CD2 4.2Å; A124-L161 HydrophobicContact CB-CG 3.7Å; L134-L161 HydrophobicContact CD2-CD2 4.14Å; L161-L172 HydrophobicContact CD2-CB 3.99Å; L161-L172 HydrophobicContact CD2-CD1 3.76Å; L161-L172 HydrophobicContact CD2-CG 4.46Å; L161-L172 HydrophobicContact CG-CD1 4.09Å |
| 162 | A | 93.2 | Very high | 91.3 | Very high | 11 Ų | 11 | 25.5 Ų | 25.5 | 9% | 0.091 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 174 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | P170 V171 W209 L216 | A162-P170 WeakPolarHBondContact O-CA 3.46Å; A162-V171 HydrophobicContact CB-CG1 3.92Å; A162-V171 PolarHBondContact N-O 2.8Å; A162-V171 PolarHBondContact O-N 2.97Å; A162-W209 HydrophobicContact CB-CB 3.79Å; A162-W209 HydrophobicContact CB-CD2 4.03Å; A162-W209 HydrophobicContact CB-CG 3.53Å; A162-L216 HydrophobicContact CB-CD1 4.12Å |
| 163 | L | 90.7 | Very high | 91.6 | Very high | 26 Ų | 26 | 22.9 Ų | 22.9 | 14% | 0.136 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 127.8 | 174.6 | -59.8 | 172.4 | 0 | 0 | 0 | 107.5 | K68 L116 P170 | K68-L163 HydrophobicContact CD-CD1 4.44Å; L116-L163 HydrophobicContact CD2-CD2 4.13Å; L163-P170 HydrophobicContact CD2-CB 4.15Å; L163-P170 HydrophobicContact CD2-CG 3.81Å |
| 164 | L | 90.5 | Very high | 92 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.01 | 12% | 0.124 | C | C | . | . | trans | -62.6 | 131.7 | -178.2 | -73.5 | 173.2 | 0 | 0 | 0 | 110.6 | T167 G168 V169 V171 V185 L216 L232 V258 F267 | L164-T167 WeakPolarHBondContact CB-OG1 3.49Å; L164-T167 PolarHBondContact O-N 2.78Å; L164-T167 PolarHBondContact O-OG1 2.88Å; L164-G168 PolarHBondContact O-N 3.29Å; L164-V169 HydrophobicContact CD1-CB 4.23Å; L164-V169 HydrophobicContact CD1-CG1 4.28Å; L164-V169 PolarHBondContact N-O 2.88Å; L164-V171 HydrophobicContact CD1-CB 4.49Å; L164-V171 HydrophobicContact CD2-CB 4.01Å; L164-V171 HydrophobicContact CD2-CG1 3.88Å; L164-V171 HydrophobicContact CD2-CG2 4.48Å; L164-V171 HydrophobicContact CG-CB 3.96Å; L164-V171 HydrophobicContact CG-CG1 4.02Å; L164-V185 HydrophobicContact CD1-CG1 4.06Å; L164-L216 HydrophobicContact CD2-CD1 4.22Å; L164-L232 HydrophobicContact CD2-CD1 4.23Å; L164-L232 HydrophobicContact CD2-CD2 3.75Å; L164-V258 HydrophobicContact CD1-CG1 4.5Å; L164-V258 HydrophobicContact CD1-CG2 3.85Å; L164-F267 HydrophobicContact CB-CE1 4.19Å; L164-F267 HydrophobicContact CB-CE2 4.44Å; L164-F267 HydrophobicContact CB-CZ 3.85Å; L164-F267 HydrophobicContact CD1-CD2 4.29Å; L164-F267 HydrophobicContact CD1-CE2 3.92Å; L164-F267 HydrophobicContact CD1-CZ 4.17Å; L164-F267 HydrophobicContact CD2-CD1 4.23Å; L164-F267 HydrophobicContact CD2-CE1 4.15Å; L164-F267 HydrophobicContact CD2-CG 4.49Å; L164-F267 HydrophobicContact CD2-CZ 4.35Å; L164-F267 HydrophobicContact CG-CZ 4.36Å | ||
| 165 | P | 85.8 | Confident | 92.3 | Very high | 15 Ų | 15 | 16.5 Ų | 16.5 | 10% | 0.097 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 143.9 | 177.5 | -25.8 | 34.3 | 0 | 0 | 0 | 112 | T167 D214 L216 | P165-T167 PolarHBondContact O-N 2.87Å; P165-D214 VanDerWaalsContact CB-O 3.29Å; P165-D214 WeakPolarHBondContact CB-O 3.41Å; P165-D214 WeakPolarHBondContact CG-O 3.49Å; P165-L216 HydrophobicContact CG-CD2 4.3Å; P165-L216 HydrophobicContact CG-CG 3.93Å |
| 166 | G | 81.1 | Confident | 92.5 | Very high | 83 Ų | 83 | 12.6 Ų | 12.6 | 86% | 0.856 | 10% | 0.097 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | -23 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 167 | T | 84.6 | Confident | 92.5 | Very high | 29 Ų | 29 | 14.2 Ų | 14.2 | 18% | 0.178 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -29.8 | -178.2 | 63.5 | 0 | 0 | 0 | 0 | 113.4 | L164 P165 V169 S265 F267 | L164-T167 WeakPolarHBondContact CB-OG1 3.49Å; L164-T167 PolarHBondContact O-N 2.78Å; L164-T167 PolarHBondContact O-OG1 2.88Å; P165-T167 PolarHBondContact O-N 2.87Å; T167-V169 PolarHBondContact O-N 3.02Å; T167-V169 PolarHBondContact OG1-N 3.22Å; T167-S265 WeakPolarHBondContact CG2-OG 3.43Å; T167-F267 HydrophobicContact CG2-CE2 4.3Å; T167-F267 HydrophobicContact CG2-CZ 4.04Å |
| 168 | G | 84.1 | Confident | 92.5 | Very high | 27 Ų | 27 | 15 Ų | 15 | 28% | 0.278 | 11% | 0.111 | S | C | . | . | trans | 71 | 7.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L164 | L164-G168 PolarHBondContact O-N 3.29Š| ||
| 169 | V | 89.5 | Confident | 92.4 | Very high | 6 Ų | 6 | 16.4 Ų | 16.4 | 4% | 0.036 | 12% | 0.12 | C | C | . | . | trans | -71.3 | 131.3 | 178.7 | 170.8 | 0 | 0 | 0 | 0 | 110.3 | L164 T167 V171 Q186 V258 D260 | L164-V169 HydrophobicContact CD1-CB 4.23Å; L164-V169 HydrophobicContact CD1-CG1 4.28Å; L164-V169 PolarHBondContact N-O 2.88Å; T167-V169 PolarHBondContact O-N 3.02Å; T167-V169 PolarHBondContact OG1-N 3.22Å; V169-V171 PolarHBondContact O-N 3.25Å; V169-Q186 HydrophobicContact CG1-CB 4.26Å; V169-Q186 WeakPolarHBondContact CG1-O 3.37Å; V169-V258 HydrophobicContact CB-CG1 4.31Å; V169-V258 HydrophobicContact CG1-CG1 4.04Å; V169-V258 HydrophobicContact CG2-CG1 4.11Å; V169-D260 HydrophobicContact CG2-CB 3.71Å | ||
| 170 | P | 90.7 | Very high | 92.3 | Very high | 13 Ų | 13 | 20.9 Ų | 20.9 | 8% | 0.084 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 130.3 | 173.9 | -24.2 | 34.5 | 0 | 0 | 0 | 113.4 | L122 A162 L163 Q186 | L122-P170 HydrophobicContact CD2-CB 3.77Å; L122-P170 HydrophobicContact CD2-CG 3.78Å; A162-P170 WeakPolarHBondContact O-CA 3.46Å; L163-P170 HydrophobicContact CD2-CB 4.15Å; L163-P170 HydrophobicContact CD2-CG 3.81Å; P170-Q186 PolarHBondContact O-N 2.92Å |
| 171 | V | 93.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 132.1 | 168.2 | 60.3 | 0 | 0 | 0 | 0 | 109.4 | A162 L164 V169 Y184 V185 W209 L216 | A162-V171 HydrophobicContact CB-CG1 3.92Å; A162-V171 PolarHBondContact N-O 2.8Å; A162-V171 PolarHBondContact O-N 2.97Å; L164-V171 HydrophobicContact CD1-CB 4.49Å; L164-V171 HydrophobicContact CD2-CB 4.01Å; L164-V171 HydrophobicContact CD2-CG1 3.88Å; L164-V171 HydrophobicContact CD2-CG2 4.48Å; L164-V171 HydrophobicContact CG-CB 3.96Å; L164-V171 HydrophobicContact CG-CG1 4.02Å; V169-V171 PolarHBondContact O-N 3.25Å; V171-Y184 CarbonylContact C-O 3.55Å; V171-Y184 WeakPolarHBondContact CA-O 3.23Å; V171-V185 HydrophobicContact CB-CG1 4.19Å; V171-V185 HydrophobicContact CG2-CG1 3.96Å; V171-W209 HydrophobicContact CG1-CZ2 4.32Å; V171-W209 HydrophobicContact CG2-CZ2 4.07Å; V171-L216 HydrophobicContact CG1-CD1 4.01Å |
| 172 | L | 96.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 124.3 | -179.9 | 175 | 69.7 | 0 | 0 | 0 | 109.2 | A124 V132 L134 V159 S160 L161 L183 Y184 L191 | A124-L172 HydrophobicContact CB-CD1 3.74Å; V132-L172 HydrophobicContact CG1-CD2 3.89Å; L134-L172 HydrophobicContact CD2-CD2 4.34Å; V159-L172 HydrophobicContact CB-CD1 4.09Å; V159-L172 HydrophobicContact CG1-CD1 4.49Å; S160-L172 WeakPolarHBondContact O-CA 3.35Å; L161-L172 HydrophobicContact CD2-CB 3.99Å; L161-L172 HydrophobicContact CD2-CD1 3.76Å; L161-L172 HydrophobicContact CD2-CG 4.46Å; L161-L172 HydrophobicContact CG-CD1 4.09Å; L172-L183 WeakPolarHBondContact O-CA 3.21Å; L172-Y184 PolarHBondContact N-O 3.34Å; L172-Y184 PolarHBondContact O-N 2.71Å; L172-L191 HydrophobicContact CD2-CD2 3.9Å |
| 173 | A | 97.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 135.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | V159 S160 V181 H182 L183 A207 W209 L218 | V159-A173 WeakPolarHBondContact CA-O 3.48Å; S160-A173 PolarHBondContact N-O 2.86Å; S160-A173 PolarHBondContact O-N 3.41Å; A173-V181 HydrophobicContact CB-CG1 4.18Å; A173-H182 CarbonylContact C-O 3.59Å; A173-H182 WeakPolarHBondContact CA-O 3.16Å; A173-L183 HydrophobicContact CB-CD2 3.86Å; A173-A207 HydrophobicContact CB-CB 4.4Å; A173-W209 HydrophobicContact CB-CZ2 3.87Å; A173-L218 HydrophobicContact CB-CD1 4.08Å; A173-L218 HydrophobicContact CB-CD2 4.03Å |
| 174 | C | 97.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 118.8 | 173.5 | -55.2 | 0 | 0 | 0 | 0 | 109.5 | F151 M156 V181 H182 | F151-C174 HydrophobicContact CZ-CB 4.48Å; M156-C174 HydrophobicContact CG-CB 4.22Å; M156-C174 HydrophobicContact SD-CB 3.7Å; C174-V181 CarbonylContact O-C 3.59Å; C174-V181 WeakPolarHBondContact O-CA 3.34Å; C174-H182 HydrophobicContact CB-CB 4.44Å; C174-H182 PolarHBondContact N-O 3.15Å; C174-H182 PolarHBondContact O-N 3.43Å |
| 175 | G | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 131.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | M156 M157 D158 | M156-G175 CarbonylContact C-O 3.54Å; M156-G175 WeakPolarHBondContact CA-O 3.08Å; M157-G175 PolarHBondContact N-O 3.36Å; D158-G175 PolarHBondContact N-O 3.33Å; D158-G175 PolarHBondContact O-N 3.44Å |
| 176 | G | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | -172.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | F155 D178 V204 | F155-G176 VanDerWaalsContact O-CA 3.26Å; F155-G176 WeakPolarHBondContact O-CA 3.5Å; G176-D178 VanDerWaalsContact C-N 3.27Å; G176-D178 PolarHBondContact O-N 3.02Å; G176-V204 PolarHBondContact O-N 2.93Å |
| 177 | D | 95.1 | Very high | 92.7 | Very high | 36 Ų | 36 | 20.1 Ų | 20.1 | 19% | 0.193 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -0.9 | 177.1 | 64 | -27 | 0 | 0 | 0 | 114.4 | S154 F155 M157 W203 | S154-D177 WeakPolarHBondContact CA-OD1 3.31Å; S154-D177 WeakPolarHBondContact CB-OD1 3.32Å; S154-D177 PolarHBondContact OG-OD1 3.29Å; F155-D177 PolarHBondContact N-OD1 2.98Å; F155-D177 PolarHBondContact N-OD2 2.84Å; F155-D177 PolarHBondContact O-N 2.91Å; M157-D177 HydrophobicContact CE-CB 4.29Å; D177-W203 VanDerWaalsContact CA-CD1 3.46Å; D177-W203 HydrophobicContact CB-CD2 4.04Å; D177-W203 HydrophobicContact CB-CG 4.04Å; D177-W203 HydrophobicContact CB-CZ2 4.32Å; D177-W203 PolarHBondContact O-NE1 3.36Å |
| 178 | D | 94.5 | Very high | 92.1 | Very high | 52 Ų | 52 | 24.1 Ų | 24.1 | 28% | 0.278 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 15.3 | 179.8 | 79.1 | -29.2 | 0 | 0 | 0 | 113.8 | G176 R180 H182 | G176-D178 VanDerWaalsContact C-N 3.27Å; G176-D178 PolarHBondContact O-N 3.02Å; D178-R180 PolarHBondContact O-N 2.72Å; D178-R180 VanDerWaalsContact O-N 3.16Å; D178-R180 WeakPolarHBondContact OD1-CB 3.25Å; D178-R180 PolarHBondContact OD1-N 2.97Å; D178-H182 IonicContact OD1-NE2 3.09Å; D178-H182 IonicContact OD2-CE1 3.74Å; D178-H182 PolarHBondContact OD2-CE1 2.8Å; D178-H182 IonicContact OD2-NE2 2.71Å; D178-H182 PolarHBondContact OD2-NE2 3.07Å; D178-H182 VanDerWaalsContact OD2-NE2 3.11Å |
| 179 | S | 95.6 | Very high | 91.4 | Very high | 29 Ų | 29 | 25 Ų | 25 | 20% | 0.203 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 59 | 20.8 | -178.1 | -43.3 | 0 | 0 | 0 | 0 | 114.4 | H200 E201 D202 | S179-H200 WeakPolarHBondContact CB-O 3.43Å; S179-H200 WeakPolarHBondContact O-CB 3.15Å; S179-E201 PolarHBondContact OG-O 3.34Å; S179-D202 WeakPolarHBondContact CA-O 3.27Å; S179-D202 WeakPolarHBondContact OG-CA 3.1Å; S179-D202 PolarHBondContact OG-N 2.89Å; S179-D202 PolarHBondContact OG-O 3.05Å |
| 180 | R | 95.3 | Very high | 90.9 | Very high | 95 Ų | 95 | 30.3 Ų | 30.3 | 36% | 0.358 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 159.1 | -179.6 | -65.4 | 171.1 | 174.7 | -176 | -4.2 | 111.6 | D178 L197 Q198 | D178-R180 PolarHBondContact O-N 2.72Å; D178-R180 VanDerWaalsContact O-N 3.16Å; D178-R180 WeakPolarHBondContact OD1-CB 3.25Å; D178-R180 PolarHBondContact OD1-N 2.97Å; R180-L197 WeakPolarHBondContact CA-O 3.45Å; R180-Q198 HydrophobicContact CG-CG 4.3Å |
| 181 | V | 97.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 116.9 | 165.6 | -174.8 | 0 | 0 | 0 | 0 | 108.1 | A173 C174 L183 S196 L197 V204 L218 | A173-V181 HydrophobicContact CB-CG1 4.18Å; C174-V181 CarbonylContact O-C 3.59Å; C174-V181 WeakPolarHBondContact O-CA 3.34Å; V181-L183 HydrophobicContact CG1-CD2 4.32Å; V181-S196 CarbonylContact O-C 3.51Å; V181-S196 WeakPolarHBondContact O-CA 3.4Å; V181-L197 HydrophobicContact CB-CB 4.16Å; V181-L197 HydrophobicContact CB-CD1 4.21Å; V181-L197 HydrophobicContact CB-CG 4.37Å; V181-L197 HydrophobicContact CG1-CD1 4.38Å; V181-L197 PolarHBondContact N-O 2.85Å; V181-L197 PolarHBondContact O-N 3.49Å; V181-V204 HydrophobicContact CG2-CG1 4.02Å; V181-V204 HydrophobicContact CG2-CG2 4.26Å; V181-L218 HydrophobicContact CG1-CD2 3.94Å |
| 182 | H | 96.7 | Very high | 90.4 | Very high | 9 Ų | 9 | 34.7 Ų | 34.7 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 129.9 | 176.7 | -58.1 | -51.2 | 0 | 0 | 0 | 110.6 | F151 A173 C174 D178 Y184 S196 | F151-H182 AromaticContact CE1-CD2 3.61Å; A173-H182 CarbonylContact C-O 3.59Å; A173-H182 WeakPolarHBondContact CA-O 3.16Å; C174-H182 HydrophobicContact CB-CB 4.44Å; C174-H182 PolarHBondContact N-O 3.15Å; C174-H182 PolarHBondContact O-N 3.43Å; D178-H182 IonicContact OD1-NE2 3.09Å; D178-H182 IonicContact OD2-CE1 3.74Å; D178-H182 PolarHBondContact OD2-CE1 2.8Å; D178-H182 IonicContact OD2-NE2 2.71Å; D178-H182 PolarHBondContact OD2-NE2 3.07Å; D178-H182 VanDerWaalsContact OD2-NE2 3.11Å; H182-Y184 HydrophobicContact CB-CD2 4.24Å; H182-Y184 HydrophobicContact CB-CE2 3.64Å; H182-S196 PolarHBondContact CE1-OG 3.44Å; H182-S196 PolarHBondContact ND1-OG 2.88Å |
| 183 | L | 96.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 129.8 | 173.5 | -59.2 | -171.5 | 0 | 0 | 0 | 109.9 | L172 A173 V181 A194 M195 L197 W209 L218 V269 | L172-L183 WeakPolarHBondContact O-CA 3.21Å; A173-L183 HydrophobicContact CB-CD2 3.86Å; V181-L183 HydrophobicContact CG1-CD2 4.32Å; L183-A194 HydrophobicContact CB-CB 4.43Å; L183-A194 PolarHBondContact O-N 3.4Å; L183-M195 HydrophobicContact CB-CG 3.99Å; L183-M195 HydrophobicContact CD1-CG 3.9Å; L183-M195 HydrophobicContact CD1-SD 4.05Å; L183-M195 HydrophobicContact CG-CG 4.16Å; L183-M195 PolarHBondContact N-O 2.82Å; L183-M195 PolarHBondContact O-N 3.33Å; L183-L197 HydrophobicContact CD1-CD1 4.2Å; L183-L197 HydrophobicContact CD1-CD2 4.18Å; L183-L197 HydrophobicContact CD1-CG 4.33Å; L183-L197 HydrophobicContact CD2-CD1 4.44Å; L183-L197 HydrophobicContact CG-CD1 4.32Å; L183-L197 HydrophobicContact CG-CG 4.31Å; L183-W209 HydrophobicContact CD1-CH2 4.48Å; L183-W209 HydrophobicContact CD2-CH2 4.1Å; L183-W209 HydrophobicContact CD2-CZ2 3.82Å; L183-L218 HydrophobicContact CD2-CD2 4.05Å; L183-V269 HydrophobicContact CD1-CG2 4.33Å |
| 184 | Y | 95.1 | Very high | 89.9 | Confident | 21 Ų | 21 | 40.8 Ų | 40.8 | 8% | 0.082 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 141.6 | 174.6 | -69.9 | -96.9 | 0 | 0 | 0 | 110 | V149 F151 V171 L172 H182 L191 Q192 K193 | V149-Y184 HydrophobicContact CG1-CE1 3.92Å; V149-Y184 HydrophobicContact CG2-CE1 4.49Å; F151-Y184 HydrophobicContact CE1-CE2 4.04Å; F151-Y184 WeakPolarHBondContact CE1-OH 3.28Å; F151-Y184 AromaticContact CZ-CE2 3.72Å; F151-Y184 HydrophobicContact CZ-CE2 3.72Å; F151-Y184 AromaticContact CZ-CZ 3.88Å; F151-Y184 WeakPolarHBondContact CZ-OH 3.34Å; V171-Y184 CarbonylContact C-O 3.55Å; V171-Y184 WeakPolarHBondContact CA-O 3.23Å; L172-Y184 PolarHBondContact N-O 3.34Å; L172-Y184 PolarHBondContact O-N 2.71Å; H182-Y184 HydrophobicContact CB-CD2 4.24Å; H182-Y184 HydrophobicContact CB-CE2 3.64Å; Y184-L191 HydrophobicContact CD1-CD2 4.31Å; Y184-L191 HydrophobicContact CD1-CG 4.19Å; Y184-L191 HydrophobicContact CG-CD2 4.25Å; Y184-L191 HydrophobicContact CG-CG 4.29Å; Y184-Q192 CarbonylContact C-O 3.53Å; Y184-Q192 VanDerWaalsContact CA-O 3.22Å; Y184-Q192 WeakPolarHBondContact CA-O 3.32Å; Y184-K193 VanDerWaalsContact CD1-CA 3.49Å; Y184-K193 HydrophobicContact CD1-CB 3.9Å; Y184-K193 HydrophobicContact CD1-CG 4.49Å; Y184-K193 HydrophobicContact CE1-CB 3.55Å; Y184-K193 HydrophobicContact CE1-CG 4.05Å |
| 185 | V | 92.4 | Very high | 89.8 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.024 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 146.1 | 178.5 | -64.9 | 0 | 0 | 0 | 0 | 109.7 | L164 V171 E187 Q192 A194 F256 V258 | L164-V185 HydrophobicContact CD1-CG1 4.06Å; V171-V185 HydrophobicContact CB-CG1 4.19Å; V171-V185 HydrophobicContact CG2-CG1 3.96Å; V185-E187 PolarHBondContact O-N 2.98Å; V185-Q192 PolarHBondContact N-O 3.38Å; V185-Q192 PolarHBondContact O-N 2.83Å; V185-A194 HydrophobicContact CG1-CB 4.12Å; V185-A194 HydrophobicContact CG2-CB 4.06Å; V185-F256 HydrophobicContact CG1-CE2 3.82Å; V185-F256 HydrophobicContact CG1-CZ 4.33Å; V185-V258 HydrophobicContact CB-CG2 4.45Å; V185-V258 HydrophobicContact CG1-CG2 4.43Å; V185-V258 HydrophobicContact CG2-CG2 4.26Å |
| 186 | Q | 84.8 | Confident | 89.7 | Confident | 49 Ų | 49 | 43.3 Ų | 43.3 | 23% | 0.229 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 114.6 | 176.1 | -172.3 | 175.8 | -11.6 | 0 | 0 | 110.1 | V169 P170 Q190 | V169-Q186 HydrophobicContact CG1-CB 4.26Å; V169-Q186 WeakPolarHBondContact CG1-O 3.37Å; P170-Q186 PolarHBondContact O-N 2.92Å; Q186-Q190 WeakPolarHBondContact CA-O 3.41Å |
| 187 | E | 78.1 | Confident | 89.7 | Confident | 50 Ų | 50 | 43.6 Ų | 43.6 | 23% | 0.234 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 128.1 | 177.7 | -168.5 | -178.3 | -171.1 | 0 | 0 | 109.5 | V185 G189 Q190 Q192 K259 | V185-E187 PolarHBondContact O-N 2.98Å; E187-G189 PolarHBondContact O-N 3.3Å; E187-G189 VanDerWaalsContact O-N 3.08Å; E187-Q190 PolarHBondContact N-O 2.85Å; E187-Q190 PolarHBondContact O-N 2.82Å; E187-Q190 VanDerWaalsContact O-O 3.08Å; E187-Q192 HydrophobicContact CB-CG 4.49Å; E187-K259 HydrophobicContact CG-CB 4.14Å; E187-K259 VanDerWaalsContact OE1-CB 3.23Å; E187-K259 WeakPolarHBondContact OE1-CB 3.27Å; E187-K259 VanDerWaalsContact OE1-CD 3.28Å; E187-K259 WeakPolarHBondContact OE1-CD 3.38Å; E187-K259 WeakPolarHBondContact OE1-CG 3.12Å |
| 188 | S | 71.8 | Confident | 89.7 | Confident | 113 Ų | 113 | 47.8 Ų | 47.8 | 79% | 0.79 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 33.4 | 179.6 | -55.7 | 0 | 0 | 0 | 0 | 114.6 | Q190 | S188-Q190 VanDerWaalsContact C-N 3.32Å; S188-Q190 PolarHBondContact O-N 3.47Å |
| 189 | G | 70.7 | Confident | 89.6 | Confident | 47 Ų | 47 | 47 Ų | 47 | 49% | 0.485 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 11.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | H147 E187 | H147-G189 PolarHBondContact CE1-O 2.84Å; H147-G189 PolarHBondContact NE2-O 2.89Å; E187-G189 PolarHBondContact O-N 3.3Å; E187-G189 VanDerWaalsContact O-N 3.08Å |
| 190 | Q | 78.4 | Confident | 89.7 | Confident | 117 Ų | 117 | 46.2 Ų | 46.2 | 55% | 0.547 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 140.7 | 171.8 | -69.5 | -168.6 | -9.4 | 0 | 0 | 112.2 | H147 Q186 E187 S188 Q192 | H147-Q190 WeakPolarHBondContact CE1-CA 3.22Å; Q186-Q190 WeakPolarHBondContact CA-O 3.41Å; E187-Q190 PolarHBondContact N-O 2.85Å; E187-Q190 PolarHBondContact O-N 2.82Å; E187-Q190 VanDerWaalsContact O-O 3.08Å; S188-Q190 VanDerWaalsContact C-N 3.32Å; S188-Q190 PolarHBondContact O-N 3.47Å; Q190-Q192 PolarHBondContact O-N 2.95Å |
| 191 | L | 84.9 | Confident | 89.8 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 113.6 | 172.9 | -168 | 71.9 | 0 | 0 | 0 | 110 | L134 H147 V149 L172 Y184 | L134-L191 HydrophobicContact CD1-CB 4.44Å; L134-L191 HydrophobicContact CD1-CD1 3.84Å; L134-L191 HydrophobicContact CD1-CD2 3.73Å; L134-L191 HydrophobicContact CD1-CG 4.21Å; L134-L191 HydrophobicContact CG-CD2 4.26Å; H147-L191 HydrophobicContact CB-CB 4.03Å; H147-L191 PolarHBondContact NE2-N 3.45Å; V149-L191 HydrophobicContact CG2-CD2 3.84Å; L172-L191 HydrophobicContact CD2-CD2 3.9Å; Y184-L191 HydrophobicContact CD1-CD2 4.31Å; Y184-L191 HydrophobicContact CD1-CG 4.19Å; Y184-L191 HydrophobicContact CG-CD2 4.25Å; Y184-L191 HydrophobicContact CG-CG 4.29Å |
| 192 | Q | 88.8 | Confident | 89.8 | Confident | 87 Ų | 87 | 52.2 Ų | 52.2 | 41% | 0.407 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 145.7 | -179.5 | -66.1 | -64.5 | -25.2 | 0 | 0 | 110.6 | Y184 V185 E187 Q190 A194 | Y184-Q192 CarbonylContact C-O 3.53Å; Y184-Q192 VanDerWaalsContact CA-O 3.22Å; Y184-Q192 WeakPolarHBondContact CA-O 3.32Å; V185-Q192 PolarHBondContact N-O 3.38Å; V185-Q192 PolarHBondContact O-N 2.83Å; E187-Q192 HydrophobicContact CB-CG 4.49Å; Q190-Q192 PolarHBondContact O-N 2.95Å; Q192-A194 PolarHBondContact O-N 2.79Å |
| 193 | K | 92 | Very high | 89.8 | Confident | 102 Ų | 102 | 56.7 Ų | 56.7 | 44% | 0.443 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 115.1 | 176 | -173.2 | 173.3 | 178.2 | 171.5 | 0 | 109.1 | Y184 S196 | Y184-K193 VanDerWaalsContact CD1-CA 3.49Å; Y184-K193 HydrophobicContact CD1-CB 3.9Å; Y184-K193 HydrophobicContact CD1-CG 4.49Å; Y184-K193 HydrophobicContact CE1-CB 3.55Å; Y184-K193 HydrophobicContact CE1-CG 4.05Å; K193-S196 VanDerWaalsContact CE-OG 3.22Å; K193-S196 WeakPolarHBondContact CE-OG 3.45Å; K193-S196 PolarHBondContact NZ-OG 3.44Å |
| 194 | A | 92.1 | Very high | 89.9 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 24% | 0.24 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -53.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L183 V185 Q192 F256 | L183-A194 HydrophobicContact CB-CB 4.43Å; L183-A194 PolarHBondContact O-N 3.4Å; V185-A194 HydrophobicContact CG1-CB 4.12Å; V185-A194 HydrophobicContact CG2-CB 4.06Å; Q192-A194 PolarHBondContact O-N 2.79Å; A194-F256 HydrophobicContact CB-CB 4.47Å; A194-F256 HydrophobicContact CB-CD1 4.35Å; A194-F256 HydrophobicContact CB-CD2 3.85Å; A194-F256 HydrophobicContact CB-CE2 4.14Å; A194-F256 HydrophobicContact CB-CG 3.97Å; A194-F256 HydrophobicContact CB-CZ 4.49Å |
| 195 | M | 93.8 | Very high | 90 | Very high | 26 Ų | 26 | 57.3 Ų | 57.3 | 13% | 0.128 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 175.3 | -176.6 | 62.7 | -174 | -52.4 | 0 | 0 | 113.3 | L183 L197 D254 F256 V269 | L183-M195 HydrophobicContact CB-CG 3.99Å; L183-M195 HydrophobicContact CD1-CG 3.9Å; L183-M195 HydrophobicContact CD1-SD 4.05Å; L183-M195 HydrophobicContact CG-CG 4.16Å; L183-M195 PolarHBondContact N-O 2.82Å; L183-M195 PolarHBondContact O-N 3.33Å; M195-L197 HydrophobicContact CE-CD2 3.62Å; M195-L197 HydrophobicContact CG-CD2 4.24Å; M195-L197 HydrophobicContact SD-CD2 3.93Å; M195-D254 HydrophobicContact CE-CB 3.34Å; M195-F256 HydrophobicContact SD-CD1 3.81Å; M195-F256 HydrophobicContact SD-CE1 4.12Å; M195-V269 HydrophobicContact CE-CB 4.21Å; M195-V269 HydrophobicContact SD-CB 3.91Å; M195-V269 HydrophobicContact SD-CG2 3.6Å; M195-V269 VanDerWaalsContact SD-CG2 3.6Å |
| 196 | S | 94.5 | Very high | 90.1 | Very high | 26 Ų | 26 | 57.2 Ų | 57.2 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 119.5 | 169.8 | -72.8 | 0 | 0 | 0 | 0 | 109.7 | V181 H182 K193 | V181-S196 CarbonylContact O-C 3.51Å; V181-S196 WeakPolarHBondContact O-CA 3.4Å; H182-S196 PolarHBondContact CE1-OG 3.44Å; H182-S196 PolarHBondContact ND1-OG 2.88Å; K193-S196 VanDerWaalsContact CE-OG 3.22Å; K193-S196 WeakPolarHBondContact CE-OG 3.45Å; K193-S196 PolarHBondContact NZ-OG 3.44Å |
| 197 | L | 95.8 | Very high | 90.7 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 126.4 | 173.8 | -46.2 | -179.9 | 0 | 0 | 0 | 109.1 | R180 V181 L183 M195 L218 W230 V269 | R180-L197 WeakPolarHBondContact CA-O 3.45Å; V181-L197 HydrophobicContact CB-CB 4.16Å; V181-L197 HydrophobicContact CB-CD1 4.21Å; V181-L197 HydrophobicContact CB-CG 4.37Å; V181-L197 HydrophobicContact CG1-CD1 4.38Å; V181-L197 PolarHBondContact N-O 2.85Å; V181-L197 PolarHBondContact O-N 3.49Å; L183-L197 HydrophobicContact CD1-CD1 4.2Å; L183-L197 HydrophobicContact CD1-CD2 4.18Å; L183-L197 HydrophobicContact CD1-CG 4.33Å; L183-L197 HydrophobicContact CD2-CD1 4.44Å; L183-L197 HydrophobicContact CG-CD1 4.32Å; L183-L197 HydrophobicContact CG-CG 4.31Å; M195-L197 HydrophobicContact CE-CD2 3.62Å; M195-L197 HydrophobicContact CG-CD2 4.24Å; M195-L197 HydrophobicContact SD-CD2 3.93Å; L197-L218 HydrophobicContact CD1-CD2 4Å; L197-W230 HydrophobicContact CB-CD2 4.27Å; L197-W230 HydrophobicContact CB-CE3 4.25Å; L197-W230 HydrophobicContact CB-CH2 4.01Å; L197-W230 HydrophobicContact CB-CZ2 4.01Å; L197-W230 HydrophobicContact CB-CZ3 4.11Å; L197-W230 HydrophobicContact CD1-CB 4.2Å; L197-W230 HydrophobicContact CD1-CD2 3.7Å; L197-W230 HydrophobicContact CD1-CE3 4.15Å; L197-W230 HydrophobicContact CD1-CG 3.7Å; L197-W230 HydrophobicContact CD2-CE3 4.47Å; L197-W230 HydrophobicContact CG-CD2 4.46Å; L197-V269 HydrophobicContact CD2-CB 4.45Å; L197-V269 HydrophobicContact CD2-CG1 3.72Å |
| 198 | Q | 94.2 | Very high | 91.6 | Very high | 124 Ų | 124 | 53.7 Ų | 53.7 | 58% | 0.579 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 137.5 | -177.3 | -59.8 | -177.1 | 26.6 | 0 | 0 | 109.5 | R180 W230 | R180-Q198 HydrophobicContact CG-CG 4.3Å; Q198-W230 WeakPolarHBondContact O-CH2 3.47Å |
| 199 | G | 92.4 | Very high | 92.7 | Very high | 35 Ų | 35 | 49.8 Ų | 49.8 | 36% | 0.361 | 26% | 0.257 | S | S | . | . | trans | 163.3 | -32.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R228 | G199-R228 VanDerWaalsContact C-CZ 3.5Å; G199-R228 PolarHBondContact O-NE 3.26Å; G199-R228 PolarHBondContact O-NH2 2.94Å | ||
| 200 | H | 97.7 | Very high | 93.8 | Very high | 13 Ų | 13 | 47.8 Ų | 47.8 | 6% | 0.06 | 24% | 0.236 | C | C | . | . | trans | -66.4 | 150.6 | 171.7 | -75.4 | -74 | 0 | 0 | 0 | 111.1 | S179 V204 S220 S222 D224 R228 | S179-H200 WeakPolarHBondContact CB-O 3.43Å; S179-H200 WeakPolarHBondContact O-CB 3.15Å; H200-V204 HydrophobicContact CB-CG2 4.15Å; H200-S220 PolarHBondContact NE2-O 2.93Å; H200-S220 PolarHBondContact NE2-OG 2.95Å; H200-S222 WeakPolarHBondContact ND1-CB 3.36Å; H200-D224 VanDerWaalsContact CA-OD2 3.32Å; H200-D224 WeakPolarHBondContact CA-OD2 3.48Å; H200-D224 IonicContact CG-OD2 3.82Å; H200-D224 IonicContact ND1-OD1 3.22Å; H200-D224 PolarHBondContact ND1-OD1 2.87Å; H200-D224 IonicContact ND1-OD2 2.91Å; H200-D224 PolarHBondContact ND1-OD2 2.88Å; H200-R228 PolarHBondContact CE1-NH1 3.12Å; H200-R228 VanDerWaalsContact CE1-NH1 3.26Å; H200-R228 PolarHBondContact ND1-NH1 3.35Å | ||
| 201 | E | 97.3 | Very high | 94.3 | Very high | 166 Ų | 166 | 45.2 Ų | 45.2 | 78% | 0.776 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -107.3 | -9.2 | -178.2 | -62.5 | -173.5 | 174.7 | 0 | 0 | 113 | S179 D224 | S179-E201 PolarHBondContact OG-O 3.34Å; E201-D224 HydrophobicContact CB-CB 4.21Å; E201-D224 PolarHBondContact N-OD2 3.02Å |
| 202 | D | 97.8 | Very high | 94.3 | Very high | 56 Ų | 56 | 46.1 Ų | 46.1 | 30% | 0.299 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -144.8 | -180 | 179.5 | -153.4 | -16.1 | 0 | 0 | 0 | 110.5 | S179 V204 S222 Q223 D224 | S179-D202 WeakPolarHBondContact CA-O 3.27Å; S179-D202 WeakPolarHBondContact OG-CA 3.1Å; S179-D202 PolarHBondContact OG-N 2.89Å; S179-D202 PolarHBondContact OG-O 3.05Å; D202-V204 PolarHBondContact O-N 3.21Å; D202-S222 VanDerWaalsContact C-OG 3.23Å; D202-S222 PolarHBondContact O-OG 3.01Å; D202-Q223 HydrophobicContact CB-CB 3.84Å; D202-Q223 WeakPolarHBondContact OD2-CB 3.3Å; D202-D224 HydrophobicContact CB-CB 4.21Å |
| 203 | W | 97.6 | Very high | 93.8 | Very high | 103 Ų | 103 | 45 Ų | 45 | 39% | 0.39 | 25% | 0.248 | S | C | . | . | trans | -52.2 | 128.6 | -173.9 | -63.2 | 1.5 | 0 | 0 | 0 | 112.6 | M157 D177 R205 S222 Q223 | M157-W203 HydrophobicContact CE-CD2 4.24Å; M157-W203 HydrophobicContact CE-CE3 3.64Å; M157-W203 HydrophobicContact CE-CH2 4.44Å; M157-W203 HydrophobicContact CE-CZ3 3.75Å; D177-W203 VanDerWaalsContact CA-CD1 3.46Å; D177-W203 HydrophobicContact CB-CD2 4.04Å; D177-W203 HydrophobicContact CB-CG 4.04Å; D177-W203 HydrophobicContact CB-CZ2 4.32Å; D177-W203 PolarHBondContact O-NE1 3.36Å; W203-R205 PolarHBondContact O-N 2.78Å; W203-S222 VanDerWaalsContact O-CA 3.23Å; W203-S222 WeakPolarHBondContact O-CA 3.47Å; W203-S222 WeakPolarHBondContact O-CB 3.35Å; W203-S222 PolarHBondContact O-OG 3.12Å; W203-Q223 HydrophobicContact CB-CG 4.39Å; W203-Q223 PolarHBondContact O-N 2.91Å | ||
| 204 | V | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 116.4 | 175 | -175.8 | 0 | 0 | 0 | 0 | 108.6 | M157 G176 V181 H200 D202 C221 | M157-V204 WeakPolarHBondContact CB-O 3.48Å; G176-V204 PolarHBondContact O-N 2.93Å; V181-V204 HydrophobicContact CG2-CG1 4.02Å; V181-V204 HydrophobicContact CG2-CG2 4.26Å; H200-V204 HydrophobicContact CB-CG2 4.15Å; D202-V204 PolarHBondContact O-N 3.21Å; V204-C221 CarbonylContact C-O 3.59Å; V204-C221 WeakPolarHBondContact CA-O 3.4Å; V204-C221 WeakPolarHBondContact CG1-O 3.37Å |
| 205 | R | 96.5 | Very high | 93.2 | Very high | 33 Ų | 33 | 47.6 Ų | 47.6 | 13% | 0.125 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -27.1 | -172.8 | -59.2 | -52.1 | -59.6 | -104.7 | 2.9 | 113.7 | W203 C221 Q223 Y283 | W203-R205 PolarHBondContact O-N 2.78Å; R205-C221 PolarHBondContact N-O 3Å; R205-Q223 HydrophobicContact CG-CG 3.88Å; R205-Y283 PolarHBondContact NH1-OH 2.72Å |
| 206 | G | 95.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 146.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | D158 S220 C221 | D158-G206 WeakPolarHBondContact OD2-CA 3.31Å; G206-S220 CarbonylContact O-C 3.58Å; G206-S220 VanDerWaalsContact O-CA 3.28Å; G206-S220 WeakPolarHBondContact O-CA 3.48Å; G206-C221 VanDerWaalsContact CA-SG 3.59Å; G206-C221 PolarHBondContact N-O 3.38Å; G206-C221 PolarHBondContact N-SG 3.4Å; G206-C221 VanDerWaalsContact N-SG 3.44Å; G206-C221 PolarHBondContact O-N 2.92Å |
| 207 | A | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 124 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | D158 S160 A173 L218 A219 | D158-A207 PolarHBondContact OD2-N 2.84Å; S160-A207 WeakPolarHBondContact CB-O 3.29Å; A173-A207 HydrophobicContact CB-CB 4.4Å; A207-L218 HydrophobicContact CB-CD1 4.23Å; A207-A219 CarbonylContact C-O 3.59Å; A207-A219 VanDerWaalsContact CA-O 3.28Å; A207-A219 WeakPolarHBondContact CA-O 3.48Å |
| 208 | K | 96.8 | Very high | 93.4 | Very high | 25 Ų | 25 | 45.2 Ų | 45.2 | 11% | 0.109 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 130.2 | -178.2 | -63.9 | -65 | 173.5 | -116.8 | 0 | 112.5 | D158 A219 V285 W287 | D158-K208 VanDerWaalsContact CG-NZ 3.26Å; D158-K208 IonicContact OD1-NZ 2.74Å; D158-K208 PolarHBondContact OD1-NZ 2.8Å; D158-K208 IonicContact OD2-NZ 3.13Å; D158-K208 PolarHBondContact OD2-NZ 2.78Å; K208-A219 PolarHBondContact N-O 3.12Å; K208-A219 PolarHBondContact O-N 2.97Å; K208-V285 HydrophobicContact CG-CG2 4.31Å; K208-V285 WeakPolarHBondContact CG-O 3.35Å; K208-W287 PolarHBondContact O-NE1 2.9Å |
| 209 | W | 95.8 | Very high | 93.6 | Very high | 30 Ų | 30 | 39.3 Ų | 39.3 | 11% | 0.114 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 149 | 175.9 | -65.8 | 111 | 0 | 0 | 0 | 112.8 | S160 A162 V171 A173 L183 L216 L217 L218 L232 | S160-W209 PolarHBondContact O-NE1 3.16Å; A162-W209 HydrophobicContact CB-CB 3.79Å; A162-W209 HydrophobicContact CB-CD2 4.03Å; A162-W209 HydrophobicContact CB-CG 3.53Å; V171-W209 HydrophobicContact CG1-CZ2 4.32Å; V171-W209 HydrophobicContact CG2-CZ2 4.07Å; A173-W209 HydrophobicContact CB-CZ2 3.87Å; L183-W209 HydrophobicContact CD1-CH2 4.48Å; L183-W209 HydrophobicContact CD2-CH2 4.1Å; L183-W209 HydrophobicContact CD2-CZ2 3.82Å; W209-L216 HydrophobicContact CE3-CB 3.87Å; W209-L216 HydrophobicContact CE3-CD1 4.3Å; W209-L216 HydrophobicContact CZ3-CB 3.9Å; W209-L216 HydrophobicContact CZ3-CD1 4.36Å; W209-L217 CarbonylContact C-O 3.58Å; W209-L217 WeakPolarHBondContact CA-O 3.41Å; W209-L218 HydrophobicContact CD2-CB 4.32Å; W209-L218 HydrophobicContact CD2-CD1 3.77Å; W209-L218 HydrophobicContact CE3-CB 3.69Å; W209-L218 HydrophobicContact CE3-CD1 4.03Å; W209-L218 HydrophobicContact CE3-CG 4.35Å; W209-L218 HydrophobicContact CG-CD1 4.19Å; W209-L218 HydrophobicContact CH2-CB 3.97Å; W209-L218 HydrophobicContact CH2-CD1 4.42Å; W209-L218 HydrophobicContact CH2-CD2 3.83Å; W209-L218 HydrophobicContact CH2-CG 4.3Å; W209-L218 HydrophobicContact CZ2-CD1 4.18Å; W209-L218 HydrophobicContact CZ2-CD2 3.95Å; W209-L218 HydrophobicContact CZ2-CG 4.47Å; W209-L218 HydrophobicContact CZ3-CB 3.51Å; W209-L218 HydrophobicContact CZ3-CD1 4.37Å; W209-L218 HydrophobicContact CZ3-CD2 4.27Å; W209-L218 HydrophobicContact CZ3-CG 4.27Å; W209-L232 HydrophobicContact CH2-CD1 4.1Å; W209-L232 HydrophobicContact CZ3-CD1 4.4Å |
| 210 | A | 93.8 | Very high | 93.9 | Very high | 6 Ų | 6 | 37.6 Ų | 37.6 | 5% | 0.05 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 151.2 | 162 | 0 | 0 | 0 | 0 | 0 | 109.1 | L216 L217 W287 Q299 | A210-L216 WeakPolarHBondContact O-CA 3.43Å; A210-L217 HydrophobicContact CB-CB 4.46Å; A210-L217 PolarHBondContact N-O 3.47Å; A210-L217 PolarHBondContact O-N 3.37Å; A210-W287 HydrophobicContact CB-CB 4.19Å; A210-W287 HydrophobicContact CB-CD2 3.68Å; A210-W287 HydrophobicContact CB-CE3 4.29Å; A210-W287 HydrophobicContact CB-CG 3.61Å; A210-Q299 HydrophobicContact CB-CG 4.12Å |
| 211 | C | 88.9 | Confident | 93.9 | Very high | 63 Ų | 63 | 37 Ų | 37 | 43% | 0.426 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 112.8 | -178.1 | -169.6 | 0 | 0 | 0 | 0 | 109.9 | L216 Q299 | C211-L216 HydrophobicContact CB-CD2 3.81Å; C211-Q299 WeakPolarHBondContact O-CB 3.31Å; C211-Q299 WeakPolarHBondContact O-CG 3.28Å |
| 212 | T | 84.4 | Confident | 93.9 | Very high | 36 Ų | 36 | 29.1 Ų | 29.1 | 22% | 0.221 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 89.4 | 179.3 | 20.4 | 0 | 0 | 0 | 0 | 108.9 | D214 E215 Q299 L301 | T212-D214 PolarHBondContact O-N 3.19Å; T212-E215 PolarHBondContact N-O 3.36Å; T212-E215 PolarHBondContact O-N 2.83Å; T212-E215 VanDerWaalsContact O-N 3.1Å; T212-Q299 HydrophobicContact CG2-CB 3.87Å; T212-Q299 HydrophobicContact CG2-CG 3.81Å; T212-L301 HydrophobicContact CG2-CD2 3.83Å |
| 213 | G | 78.6 | Confident | 93.9 | Very high | 63 Ų | 63 | 27.2 Ų | 27.2 | 65% | 0.649 | 15% | 0.151 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | -117.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E215 | G213-E215 VanDerWaalsContact C-N 3.3Å; G213-E215 PolarHBondContact O-N 2.81Å |
| 214 | D | 80.7 | Confident | 93.9 | Very high | 126 Ų | 126 | 23.6 Ų | 23.6 | 67% | 0.674 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 10.9 | -179.8 | -69.8 | -32.1 | 0 | 0 | 0 | 114.1 | P165 T212 | P165-D214 VanDerWaalsContact CB-O 3.29Å; P165-D214 WeakPolarHBondContact CB-O 3.41Å; P165-D214 WeakPolarHBondContact CG-O 3.49Å; T212-D214 PolarHBondContact O-N 3.19Å |
| 215 | E | 90.1 | Very high | 93.9 | Very high | 60 Ų | 60 | 25 Ų | 25 | 28% | 0.28 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 150.5 | -177.3 | -55.4 | -173.7 | 159.3 | 0 | 0 | 112.1 | T212 G213 R231 C233 | T212-E215 PolarHBondContact N-O 3.36Å; T212-E215 PolarHBondContact O-N 2.83Å; T212-E215 VanDerWaalsContact O-N 3.1Å; G213-E215 VanDerWaalsContact C-N 3.3Å; G213-E215 PolarHBondContact O-N 2.81Å; E215-R231 IonicContact OE2-CZ 2.71Å; E215-R231 IonicContact OE2-NH1 3.58Å; E215-R231 PolarHBondContact OE2-NH1 3.37Å; E215-C233 HydrophobicContact CG-CB 4.39Å; E215-C233 PolarHBondContact OE1-SG 3.26Å |
| 216 | L | 93.9 | Very high | 94 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.016 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136 | 170.4 | -63.5 | 179.5 | 0 | 0 | 0 | 110.5 | A162 L164 P165 V171 W209 A210 C211 L232 | A162-L216 HydrophobicContact CB-CD1 4.12Å; L164-L216 HydrophobicContact CD2-CD1 4.22Å; P165-L216 HydrophobicContact CG-CD2 4.3Å; P165-L216 HydrophobicContact CG-CG 3.93Å; V171-L216 HydrophobicContact CG1-CD1 4.01Å; W209-L216 HydrophobicContact CE3-CB 3.87Å; W209-L216 HydrophobicContact CE3-CD1 4.3Å; W209-L216 HydrophobicContact CZ3-CB 3.9Å; W209-L216 HydrophobicContact CZ3-CD1 4.36Å; A210-L216 WeakPolarHBondContact O-CA 3.43Å; C211-L216 HydrophobicContact CB-CD2 3.81Å; L216-L232 HydrophobicContact CB-CB 4.23Å; L216-L232 HydrophobicContact CB-CD2 4.38Å; L216-L232 HydrophobicContact CD1-CD2 4.31Å; L216-L232 PolarHBondContact N-O 2.62Å; L216-L232 PolarHBondContact O-N 2.85Å |
| 217 | L | 96.3 | Very high | 94.1 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 131 | 168.7 | -63.4 | 178.7 | 0 | 0 | 0 | 109.4 | W209 A210 V229 W230 R231 W287 L301 | W209-L217 CarbonylContact C-O 3.58Å; W209-L217 WeakPolarHBondContact CA-O 3.41Å; A210-L217 HydrophobicContact CB-CB 4.46Å; A210-L217 PolarHBondContact N-O 3.47Å; A210-L217 PolarHBondContact O-N 3.37Å; L217-V229 HydrophobicContact CB-CG1 4.42Å; L217-V229 HydrophobicContact CD2-CG1 4.39Å; L217-W230 CarbonylContact C-O 3.58Å; L217-W230 WeakPolarHBondContact CA-O 3.36Å; L217-R231 HydrophobicContact CD2-CB 3.98Å; L217-R231 HydrophobicContact CD2-CG 4.02Å; L217-W287 HydrophobicContact CB-CH2 4.29Å; L217-W287 HydrophobicContact CB-CZ2 4.01Å; L217-W287 HydrophobicContact CD1-CH2 4.28Å; L217-L301 HydrophobicContact CD1-CD2 3.44Å; L217-L301 VanDerWaalsContact CD1-CD2 3.44Å |
| 218 | L | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 116.9 | 173.4 | -176.7 | 58.1 | 0 | 0 | 0 | 109.3 | A173 V181 L183 L197 A207 W209 V229 W230 | A173-L218 HydrophobicContact CB-CD1 4.08Å; A173-L218 HydrophobicContact CB-CD2 4.03Å; V181-L218 HydrophobicContact CG1-CD2 3.94Å; L183-L218 HydrophobicContact CD2-CD2 4.05Å; L197-L218 HydrophobicContact CD1-CD2 4Å; A207-L218 HydrophobicContact CB-CD1 4.23Å; W209-L218 HydrophobicContact CD2-CB 4.32Å; W209-L218 HydrophobicContact CD2-CD1 3.77Å; W209-L218 HydrophobicContact CE3-CB 3.69Å; W209-L218 HydrophobicContact CE3-CD1 4.03Å; W209-L218 HydrophobicContact CE3-CG 4.35Å; W209-L218 HydrophobicContact CG-CD1 4.19Å; W209-L218 HydrophobicContact CH2-CB 3.97Å; W209-L218 HydrophobicContact CH2-CD1 4.42Å; W209-L218 HydrophobicContact CH2-CD2 3.83Å; W209-L218 HydrophobicContact CH2-CG 4.3Å; W209-L218 HydrophobicContact CZ2-CD1 4.18Å; W209-L218 HydrophobicContact CZ2-CD2 3.95Å; W209-L218 HydrophobicContact CZ2-CG 4.47Å; W209-L218 HydrophobicContact CZ3-CB 3.51Å; W209-L218 HydrophobicContact CZ3-CD1 4.37Å; W209-L218 HydrophobicContact CZ3-CD2 4.27Å; W209-L218 HydrophobicContact CZ3-CG 4.27Å; L218-V229 CarbonylContact O-C 3.51Å; L218-V229 VanDerWaalsContact O-CA 3.31Å; L218-V229 WeakPolarHBondContact O-CA 3.33Å; L218-W230 HydrophobicContact CB-CB 4.2Å; L218-W230 PolarHBondContact N-O 3.41Å; L218-W230 PolarHBondContact O-N 2.77Å |
| 219 | A | 98.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 127.7 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | A207 K208 R228 V285 W287 L303 | A207-A219 CarbonylContact C-O 3.59Å; A207-A219 VanDerWaalsContact CA-O 3.28Å; A207-A219 WeakPolarHBondContact CA-O 3.48Å; K208-A219 PolarHBondContact N-O 3.12Å; K208-A219 PolarHBondContact O-N 2.97Å; A219-R228 WeakPolarHBondContact CA-O 3.26Å; A219-V285 HydrophobicContact CB-CB 4.46Å; A219-V285 HydrophobicContact CB-CG2 4.25Å; A219-W287 HydrophobicContact CB-CZ2 3.63Å; A219-L303 HydrophobicContact CB-CD1 3.75Å; A219-L303 HydrophobicContact CB-CD2 3.85Å; A219-L303 HydrophobicContact CB-CG 4.49Å |
| 220 | S | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136 | 171.1 | 62.2 | 0 | 0 | 0 | 0 | 111.3 | H200 G206 I227 R228 W230 | H200-S220 PolarHBondContact NE2-O 2.93Å; H200-S220 PolarHBondContact NE2-OG 2.95Å; G206-S220 CarbonylContact O-C 3.58Å; G206-S220 VanDerWaalsContact O-CA 3.28Å; G206-S220 WeakPolarHBondContact O-CA 3.48Å; S220-I227 CarbonylContact O-C 3.56Å; S220-I227 VanDerWaalsContact O-CA 3.29Å; S220-I227 WeakPolarHBondContact O-CA 3.47Å; S220-R228 PolarHBondContact N-O 2.82Å; S220-R228 PolarHBondContact O-N 3.47Å; S220-R228 PolarHBondContact OG-O 2.85Å; S220-W230 PolarHBondContact OG-NE1 3.28Å |
| 221 | C | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 151.1 | 177.3 | 63.7 | 0 | 0 | 0 | 0 | 112 | V204 R205 G206 I227 V282 V285 | V204-C221 CarbonylContact C-O 3.59Å; V204-C221 WeakPolarHBondContact CA-O 3.4Å; V204-C221 WeakPolarHBondContact CG1-O 3.37Å; R205-C221 PolarHBondContact N-O 3Å; G206-C221 VanDerWaalsContact CA-SG 3.59Å; G206-C221 PolarHBondContact N-O 3.38Å; G206-C221 PolarHBondContact N-SG 3.4Å; G206-C221 VanDerWaalsContact N-SG 3.44Å; G206-C221 PolarHBondContact O-N 2.92Å; C221-I227 HydrophobicContact CB-CG1 4.07Å; C221-V282 HydrophobicContact CB-CB 3.9Å; C221-V282 HydrophobicContact CB-CG1 3.55Å; C221-V285 HydrophobicContact CB-CG1 3.65Å; C221-V285 HydrophobicContact CB-CG2 4.4Å |
| 222 | S | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 168.2 | -171.3 | 166.6 | 0 | 0 | 0 | 0 | 113.2 | H200 D202 W203 D224 S225 L226 V282 | H200-S222 WeakPolarHBondContact ND1-CB 3.36Å; D202-S222 VanDerWaalsContact C-OG 3.23Å; D202-S222 PolarHBondContact O-OG 3.01Å; W203-S222 VanDerWaalsContact O-CA 3.23Å; W203-S222 WeakPolarHBondContact O-CA 3.47Å; W203-S222 WeakPolarHBondContact O-CB 3.35Å; W203-S222 PolarHBondContact O-OG 3.12Å; S222-D224 WeakPolarHBondContact CB-OD1 3.23Å; S222-D224 PolarHBondContact O-N 2.9Å; S222-D224 PolarHBondContact OG-N 2.84Å; S222-D224 VanDerWaalsContact OG-N 3.12Å; S222-D224 PolarHBondContact OG-OD1 3.48Å; S222-S225 PolarHBondContact O-N 3.22Å; S222-L226 PolarHBondContact N-O 3.17Å; S222-V282 PolarHBondContact O-N 2.92Å; S222-V282 VanDerWaalsContact O-N 3.15Å |
| 223 | Q | 97.8 | Very high | 94.9 | Very high | 16 Ų | 16 | 24.1 Ų | 24.1 | 8% | 0.075 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -9.4 | 168.2 | -69.2 | -174 | -43.4 | 0 | 0 | 113.5 | D202 W203 R205 S225 W281 | D202-Q223 HydrophobicContact CB-CB 3.84Å; D202-Q223 WeakPolarHBondContact OD2-CB 3.3Å; W203-Q223 HydrophobicContact CB-CG 4.39Å; W203-Q223 PolarHBondContact O-N 2.91Å; R205-Q223 HydrophobicContact CG-CG 3.88Å; Q223-S225 PolarHBondContact O-N 3.21Å; Q223-S225 VanDerWaalsContact O-N 3.15Å; Q223-W281 HydrophobicContact CB-CD2 4.43Å; Q223-W281 HydrophobicContact CB-CG 4.02Å; Q223-W281 HydrophobicContact CG-CB 4.26Å; Q223-W281 HydrophobicContact CG-CD2 3.97Å; Q223-W281 HydrophobicContact CG-CG 3.83Å |
| 224 | D | 97.6 | Very high | 95.3 | Very high | 27 Ų | 27 | 23.7 Ų | 23.7 | 14% | 0.144 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 5.7 | 169.4 | 70.2 | 1.8 | 0 | 0 | 0 | 113.7 | H200 E201 D202 S222 L226 R228 | H200-D224 VanDerWaalsContact CA-OD2 3.32Å; H200-D224 WeakPolarHBondContact CA-OD2 3.48Å; H200-D224 IonicContact CG-OD2 3.82Å; H200-D224 IonicContact ND1-OD1 3.22Å; H200-D224 PolarHBondContact ND1-OD1 2.87Å; H200-D224 IonicContact ND1-OD2 2.91Å; H200-D224 PolarHBondContact ND1-OD2 2.88Å; E201-D224 HydrophobicContact CB-CB 4.21Å; E201-D224 PolarHBondContact N-OD2 3.02Å; D202-D224 HydrophobicContact CB-CB 4.21Å; S222-D224 WeakPolarHBondContact CB-OD1 3.23Å; S222-D224 PolarHBondContact O-N 2.9Å; S222-D224 PolarHBondContact OG-N 2.84Å; S222-D224 VanDerWaalsContact OG-N 3.12Å; S222-D224 PolarHBondContact OG-OD1 3.48Å; D224-L226 PolarHBondContact O-N 3.34Å; D224-L226 WeakPolarHBondContact OD1-CA 3.49Å; D224-L226 WeakPolarHBondContact OD1-CB 3.44Å; D224-L226 PolarHBondContact OD1-N 2.78Å; D224-R228 IonicContact OD1-NH1 3.23Å; D224-R228 IonicContact OD2-CZ 3.75Å; D224-R228 IonicContact OD2-NH1 3.85Å; D224-R228 PolarHBondContact OD2-NH1 3.17Å; D224-R228 IonicContact OD2-NH2 2.9Å |
| 225 | S | 97.4 | Very high | 95.4 | Very high | 30 Ų | 30 | 20.6 Ų | 20.6 | 21% | 0.21 | 11% | 0.109 | C | C | . | . | S | Bend | trans | 65.9 | 9.7 | -177.3 | -51 | 0 | 0 | 0 | 0 | 114.6 | S222 Q223 N280 | S222-S225 PolarHBondContact O-N 3.22Å; Q223-S225 PolarHBondContact O-N 3.21Å; Q223-S225 VanDerWaalsContact O-N 3.15Å; S225-N280 WeakPolarHBondContact CB-O 3.41Å; S225-N280 PolarHBondContact OG-O 3.15Å |
| 226 | L | 98 | Very high | 94.2 | Very high | 42 Ų | 42 | 21.9 Ų | 21.9 | 22% | 0.22 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 154.6 | -177.1 | -60.6 | 172.1 | 0 | 0 | 0 | 111.9 | S222 D224 V274 A276 | S222-L226 PolarHBondContact N-O 3.17Å; D224-L226 PolarHBondContact O-N 3.34Å; D224-L226 WeakPolarHBondContact OD1-CA 3.49Å; D224-L226 WeakPolarHBondContact OD1-CB 3.44Å; D224-L226 PolarHBondContact OD1-N 2.78Å; L226-V274 HydrophobicContact CB-CG1 4.43Å; L226-V274 HydrophobicContact CD1-CG1 4.33Å; L226-V274 HydrophobicContact CD2-CG1 4.34Å; L226-A276 HydrophobicContact CD2-CB 3.58Å |
| 227 | I | 98.4 | Very high | 92.2 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 134.6 | 169.6 | -56 | 156.5 | 0 | 0 | 0 | 107.6 | S220 C221 V274 L275 V282 V285 L303 | S220-I227 CarbonylContact O-C 3.56Å; S220-I227 VanDerWaalsContact O-CA 3.29Å; S220-I227 WeakPolarHBondContact O-CA 3.47Å; C221-I227 HydrophobicContact CB-CG1 4.07Å; I227-V274 CarbonylContact O-C 3.58Å; I227-V274 WeakPolarHBondContact O-CA 3.42Å; I227-L275 HydrophobicContact CB-CB 4.13Å; I227-L275 HydrophobicContact CB-CD1 4.33Å; I227-L275 HydrophobicContact CB-CG 4.48Å; I227-L275 HydrophobicContact CG2-CD1 4.16Å; I227-L275 PolarHBondContact N-O 2.88Å; I227-L275 VanDerWaalsContact N-O 3.1Å; I227-L275 PolarHBondContact O-N 3.19Å; I227-V282 HydrophobicContact CD1-CG1 4.17Å; I227-V282 HydrophobicContact CG1-CG1 3.99Å; I227-V282 HydrophobicContact CG1-CG2 4.47Å; I227-V285 HydrophobicContact CD1-CG1 4.21Å; I227-V285 HydrophobicContact CG1-CG1 4.16Å; I227-V285 HydrophobicContact CG2-CG1 4.08Å; I227-L303 HydrophobicContact CG2-CD2 3.96Å |
| 228 | R | 98.2 | Very high | 89.8 | Confident | 18 Ų | 18 | 32.1 Ų | 32.1 | 7% | 0.068 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 132.6 | 175.8 | -67.9 | 177.5 | 176.1 | 68.4 | -3.7 | 109 | G199 H200 A219 S220 D224 W230 L271 V274 | G199-R228 VanDerWaalsContact C-CZ 3.5Å; G199-R228 PolarHBondContact O-NE 3.26Å; G199-R228 PolarHBondContact O-NH2 2.94Å; H200-R228 PolarHBondContact CE1-NH1 3.12Å; H200-R228 VanDerWaalsContact CE1-NH1 3.26Å; H200-R228 PolarHBondContact ND1-NH1 3.35Å; A219-R228 WeakPolarHBondContact CA-O 3.26Å; S220-R228 PolarHBondContact N-O 2.82Å; S220-R228 PolarHBondContact O-N 3.47Å; S220-R228 PolarHBondContact OG-O 2.85Å; D224-R228 IonicContact OD1-NH1 3.23Å; D224-R228 IonicContact OD2-CZ 3.75Å; D224-R228 IonicContact OD2-NH1 3.85Å; D224-R228 PolarHBondContact OD2-NH1 3.17Å; D224-R228 IonicContact OD2-NH2 2.9Å; R228-W230 HydrophobicContact CB-CZ2 3.97Å; R228-L271 HydrophobicContact CB-CD1 3.99Å; R228-L271 HydrophobicContact CG-CD1 4.32Å; R228-V274 HydrophobicContact CG-CG1 4.32Å; R228-V274 HydrophobicContact CG-CG2 4.26Å |
| 229 | V | 97.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 124.9 | 173.5 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | L217 L218 E272 T273 L275 W287 L303 | L217-V229 HydrophobicContact CB-CG1 4.42Å; L217-V229 HydrophobicContact CD2-CG1 4.39Å; L218-V229 CarbonylContact O-C 3.51Å; L218-V229 VanDerWaalsContact O-CA 3.31Å; L218-V229 WeakPolarHBondContact O-CA 3.33Å; V229-E272 HydrophobicContact CB-CB 4.29Å; V229-E272 HydrophobicContact CG1-CB 4.16Å; V229-E272 HydrophobicContact CG1-CG 4.46Å; V229-E272 WeakPolarHBondContact O-CA 3.23Å; V229-E272 VanDerWaalsContact O-CB 3.3Å; V229-E272 WeakPolarHBondContact O-CB 3.19Å; V229-E272 PolarHBondContact O-N 3.23Å; V229-T273 HydrophobicContact CB-CG2 3.68Å; V229-T273 HydrophobicContact CG2-CG2 3.72Å; V229-T273 PolarHBondContact N-O 2.84Å; V229-T273 PolarHBondContact O-N 3.47Å; V229-L275 HydrophobicContact CG2-CD1 4.41Å; V229-W287 HydrophobicContact CG1-CH2 4.07Å; V229-W287 HydrophobicContact CG1-CZ2 4.21Å; V229-W287 HydrophobicContact CG2-CH2 4.4Å; V229-L303 HydrophobicContact CG2-CD2 4.28Å |
| 230 | W | 96.9 | Very high | 84.4 | Confident | 19 Ų | 19 | 42.9 Ų | 42.9 | 7% | 0.072 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 134.2 | 179 | -45.4 | 85 | 0 | 0 | 0 | 109.1 | L197 Q198 L217 L218 S220 R228 V269 S270 L271 | L197-W230 HydrophobicContact CB-CD2 4.27Å; L197-W230 HydrophobicContact CB-CE3 4.25Å; L197-W230 HydrophobicContact CB-CH2 4.01Å; L197-W230 HydrophobicContact CB-CZ2 4.01Å; L197-W230 HydrophobicContact CB-CZ3 4.11Å; L197-W230 HydrophobicContact CD1-CB 4.2Å; L197-W230 HydrophobicContact CD1-CD2 3.7Å; L197-W230 HydrophobicContact CD1-CE3 4.15Å; L197-W230 HydrophobicContact CD1-CG 3.7Å; L197-W230 HydrophobicContact CD2-CE3 4.47Å; L197-W230 HydrophobicContact CG-CD2 4.46Å; Q198-W230 WeakPolarHBondContact O-CH2 3.47Å; L217-W230 CarbonylContact C-O 3.58Å; L217-W230 WeakPolarHBondContact CA-O 3.36Å; L218-W230 HydrophobicContact CB-CB 4.2Å; L218-W230 PolarHBondContact N-O 3.41Å; L218-W230 PolarHBondContact O-N 2.77Å; S220-W230 PolarHBondContact OG-NE1 3.28Å; R228-W230 HydrophobicContact CB-CZ2 3.97Å; W230-V269 HydrophobicContact CB-CG1 4.33Å; W230-S270 CarbonylContact C-O 3.57Å; W230-S270 WeakPolarHBondContact CA-O 3.32Å; W230-L271 HydrophobicContact CD2-CD1 4.1Å; W230-L271 HydrophobicContact CE3-CB 4.13Å; W230-L271 HydrophobicContact CE3-CD1 3.9Å; W230-L271 HydrophobicContact CH2-CD1 4.05Å; W230-L271 HydrophobicContact CZ2-CD1 4.25Å; W230-L271 HydrophobicContact CZ3-CB 4.04Å; W230-L271 HydrophobicContact CZ3-CD1 3.88Å |
| 231 | R | 94.9 | Very high | 81.7 | Confident | 67 Ų | 67 | 52.1 Ų | 52.1 | 25% | 0.253 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 132.3 | 176.1 | -175.2 | -174.3 | -64.5 | -99.1 | 4 | 109.5 | E215 L217 C233 V269 S270 E272 | E215-R231 IonicContact OE2-CZ 2.71Å; E215-R231 IonicContact OE2-NH1 3.58Å; E215-R231 PolarHBondContact OE2-NH1 3.37Å; L217-R231 HydrophobicContact CD2-CB 3.98Å; L217-R231 HydrophobicContact CD2-CG 4.02Å; R231-C233 VanDerWaalsContact CD-SG 3.56Å; R231-C233 VanDerWaalsContact CG-SG 3.52Å; R231-V269 CarbonylContact O-C 3.59Å; R231-V269 VanDerWaalsContact O-CA 3.26Å; R231-V269 WeakPolarHBondContact O-CA 3.41Å; R231-S270 PolarHBondContact N-O 2.93Å; R231-S270 PolarHBondContact O-N 2.74Å; R231-E272 HydrophobicContact CB-CB 4.37Å; R231-E272 IonicContact CZ-OE1 2.65Å; R231-E272 IonicContact CZ-OE2 3.41Å; R231-E272 VanDerWaalsContact CZ-OE2 3.32Å; R231-E272 IonicContact NE-OE1 3.11Å; R231-E272 IonicContact NE-OE2 3.94Å; R231-E272 PolarHBondContact NE-OE2 2.99Å; R231-E272 IonicContact NH2-OE1 3.15Å; R231-E272 PolarHBondContact NH2-OE1 3.33Å; R231-E272 IonicContact NH2-OE2 3.21Å; R231-E272 PolarHBondContact NH2-OE2 2.84Å |
| 232 | L | 94.3 | Very high | 79.1 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 116.9 | 175.8 | -177.3 | 158.2 | 0 | 0 | 0 | 109.3 | L164 W209 L216 F256 F267 A268 V269 | L164-L232 HydrophobicContact CD2-CD1 4.23Å; L164-L232 HydrophobicContact CD2-CD2 3.75Å; W209-L232 HydrophobicContact CH2-CD1 4.1Å; W209-L232 HydrophobicContact CZ3-CD1 4.4Å; L216-L232 HydrophobicContact CB-CB 4.23Å; L216-L232 HydrophobicContact CB-CD2 4.38Å; L216-L232 HydrophobicContact CD1-CD2 4.31Å; L216-L232 PolarHBondContact N-O 2.62Å; L216-L232 PolarHBondContact O-N 2.85Å; L232-F256 HydrophobicContact CD1-CE1 4.17Å; L232-F256 HydrophobicContact CD1-CZ 4.1Å; L232-F267 HydrophobicContact CD2-CB 4.33Å; L232-F267 HydrophobicContact CD2-CD1 3.62Å; L232-F267 HydrophobicContact CD2-CE1 4.35Å; L232-F267 HydrophobicContact CD2-CG 4.28Å; L232-A268 WeakPolarHBondContact CA-O 3.33Å; L232-V269 HydrophobicContact CB-CG2 4.19Å; L232-V269 HydrophobicContact CD1-CG2 3.85Å; L232-V269 HydrophobicContact CG-CG2 3.94Å |
| 233 | C | 91.3 | Very high | 76.4 | Confident | 28 Ų | 28 | 66.2 Ų | 66.2 | 19% | 0.189 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 144.7 | -176.3 | -57 | 0 | 0 | 0 | 0 | 111.3 | E215 R231 F267 A268 | E215-C233 HydrophobicContact CG-CB 4.39Å; E215-C233 PolarHBondContact OE1-SG 3.26Å; R231-C233 VanDerWaalsContact CD-SG 3.56Å; R231-C233 VanDerWaalsContact CG-SG 3.52Å; C233-F267 WeakPolarHBondContact O-CA 3.44Å; C233-A268 PolarHBondContact N-O 3.3Å; C233-A268 PolarHBondContact O-N 2.86Å |
| 234 | A | 87.1 | Confident | 73.9 | Confident | 55 Ų | 55 | 72 Ų | 72 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 127.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | F267 | A234-F267 HydrophobicContact CB-CD1 4.15Å; A234-F267 HydrophobicContact CB-CE1 3.84Å |
| 235 | K | 83.3 | Confident | 71.4 | Confident | 60 Ų | 60 | 76 Ų | 76 | 26% | 0.261 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 122.8 | 173.8 | -74 | -85.9 | -174.9 | 178.9 | 0 | 109.1 | D239 E253 R266 A268 | K235-D239 WeakPolarHBondContact CD-OD2 3.29Å; K235-D239 IonicContact NZ-OD2 3.71Å; K235-D239 PolarHBondContact NZ-OD2 2.95Å; K235-E253 VanDerWaalsContact CE-OE2 3.27Å; K235-E253 WeakPolarHBondContact CE-OE2 3.43Å; K235-E253 IonicContact NZ-OE1 3.23Å; K235-E253 IonicContact NZ-OE2 3.57Å; K235-E253 PolarHBondContact NZ-OE2 3.15Å; K235-R266 HydrophobicContact CB-CB 3.94Å; K235-R266 PolarHBondContact N-O 3.25Å; K235-A268 HydrophobicContact CD-CB 4.33Å; K235-A268 VanDerWaalsContact CE-CB 3.47Å; K235-A268 HydrophobicContact CG-CB 3.94Å |
| 236 | S | 65.2 | Low | 69.4 | Low | 87 Ų | 87 | 82.9 Ų | 82.9 | 61% | 0.608 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -70.7 | 141.3 | 166.8 | 80.2 | 0 | 0 | 0 | 0 | 109.5 | I238 | S236-I238 PolarHBondContact O-N 2.91Š|
| 237 | G | 51.6 | Low | 67.3 | Low | 82 Ų | 82 | 86.3 Ų | 86.3 | 85% | 0.845 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 16.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 238 | I | 45.5 | Very low | 65.3 | Low | 140 Ų | 140 | 90.3 Ų | 90.3 | 72% | 0.718 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 3.2 | -176.4 | -56.4 | 172.5 | 0 | 0 | 0 | 112.4 | S236 T240 | S236-I238 PolarHBondContact O-N 2.91Å; I238-T240 PolarHBondContact O-N 3.38Å |
| 239 | D | 45.2 | Very low | 63.5 | Low | 111 Ų | 111 | 97.8 Ų | 97.8 | 59% | 0.594 | 54% | 0.543 | S | S | * | . | trans | -74.6 | 70.6 | 166.5 | -81.3 | -8.9 | 0 | 0 | 0 | 109.9 | K235 H241 | K235-D239 WeakPolarHBondContact CD-OD2 3.29Å; K235-D239 IonicContact NZ-OD2 3.71Å; K235-D239 PolarHBondContact NZ-OD2 2.95Å; D239-H241 PolarHBondContact O-N 3.31Å | ||
| 240 | T | 37.8 | Very low | 61.9 | Low | 115 Ų | 115 | 105.2 Ų | 105.2 | 71% | 0.706 | 58% | 0.575 | S | S | * | * | trans | -57.7 | 125.2 | 159.1 | 43.5 | 0 | 0 | 0 | 0 | 107.4 | I238 T242 | I238-T240 PolarHBondContact O-N 3.38Å; T240-T242 PolarHBondContact O-N 3.24Å | ||
| 241 | H | 42.1 | Very low | 60.7 | Low | 194 Ų | 194 | 110 Ų | 110 | 90% | 0.898 | 60% | 0.6 | S | S | * | * | trans | -18.4 | 95.8 | 167.9 | -72.4 | -81.9 | 0 | 0 | 0 | 111.9 | D239 E243 | D239-H241 PolarHBondContact O-N 3.31Å; H241-E243 PolarHBondContact O-N 3.26Å | ||
| 242 | T | 42 | Very low | 60 | Low | 111 Ų | 111 | 114 Ų | 114 | 68% | 0.681 | 62% | 0.619 | S | S | * | * | trans | -69.8 | 117.3 | 162.4 | 28.8 | 0 | 0 | 0 | 0 | 104 | T240 D244 | T240-T242 PolarHBondContact O-N 3.24Å; T242-D244 PolarHBondContact O-N 3.01Å | ||
| 243 | E | 42.4 | Very low | 59.7 | Low | 185 Ų | 185 | 118.6 Ų | 118.6 | 86% | 0.864 | 64% | 0.641 | S | S | * | * | trans | -43 | 127.9 | 167.2 | -69.2 | -179.6 | 149.3 | 0 | 0 | 107.6 | H241 D245 | H241-E243 PolarHBondContact O-N 3.26Å; E243-D245 VanDerWaalsContact C-N 3.26Å; E243-D245 PolarHBondContact O-N 3.03Å | ||
| 244 | D | 44.3 | Very low | 59.5 | Low | 139 Ų | 139 | 120.4 Ų | 120.4 | 74% | 0.743 | 65% | 0.648 | S | S | * | * | trans | -56.5 | 92.4 | 178.3 | -86.6 | -33.4 | 0 | 0 | 0 | 108.8 | T242 H246 | T242-D244 PolarHBondContact O-N 3.01Å; D244-H246 VanDerWaalsContact C-N 3.28Å; D244-H246 PolarHBondContact O-N 2.8Å | ||
| 245 | D | 45.8 | Very low | 59.6 | Low | 109 Ų | 109 | 121.7 Ų | 121.7 | 58% | 0.583 | 65% | 0.651 | S | S | * | * | trans | -70 | 94.1 | 167.7 | -165.9 | -7.7 | 0 | 0 | 0 | 106.3 | E243 T247 V248 | E243-D245 VanDerWaalsContact C-N 3.26Å; E243-D245 PolarHBondContact O-N 3.03Å; D245-T247 PolarHBondContact O-N 3.1Å; D245-T247 PolarHBondContact OD1-OG1 3.15Å; D245-T247 PolarHBondContact OD2-OG1 3.31Å; D245-V248 PolarHBondContact O-N 3.01Å | ||
| 246 | H | 55.9 | Low | 59.9 | Low | 176 Ų | 176 | 119.7 Ų | 119.7 | 82% | 0.815 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 6.9 | -178.8 | -68.5 | -48.1 | 0 | 0 | 0 | 114.2 | D244 | D244-H246 VanDerWaalsContact C-N 3.28Å; D244-H246 PolarHBondContact O-N 2.8Å |
| 247 | T | 53.7 | Low | 61.1 | Low | 113 Ų | 113 | 119.6 Ų | 119.6 | 69% | 0.693 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -14.4 | 176.5 | 60.8 | 0 | 0 | 0 | 0 | 114 | D245 | D245-T247 PolarHBondContact O-N 3.1Å; D245-T247 PolarHBondContact OD1-OG1 3.15Å; D245-T247 PolarHBondContact OD2-OG1 3.31Å |
| 248 | V | 56.2 | Low | 62.8 | Low | 85 Ų | 85 | 115.8 Ų | 115.8 | 52% | 0.515 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -114.9 | 111.6 | -178 | -174.1 | 0 | 0 | 0 | 0 | 111 | D245 K250 | D245-V248 PolarHBondContact O-N 3.01Å; V248-K250 HydrophobicContact CG1-CG 4.11Å; V248-K250 PolarHBondContact O-N 3.34Å |
| 249 | I | 59.4 | Low | 64.7 | Low | 175 Ų | 175 | 114.1 Ų | 114.1 | 90% | 0.897 | 58% | 0.58 | S | S | * | * | trans | -69.5 | 113.1 | 171.4 | -58.9 | 173.1 | 0 | 0 | 0 | 108 | ||||
| 250 | K | 65.8 | Low | 66.3 | Low | 156 Ų | 156 | 111.6 Ų | 111.6 | 68% | 0.678 | 57% | 0.566 | S | S | * | * | trans | -108.2 | 148.7 | 173.9 | -65.8 | -178.7 | -177.1 | 173.7 | 0 | 110.4 | V248 | V248-K250 HydrophobicContact CG1-CG 4.11Å; V248-K250 PolarHBondContact O-N 3.34Å | ||
| 251 | M | 70.8 | Confident | 68.2 | Low | 120 Ų | 120 | 117.2 Ų | 117.2 | 59% | 0.591 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 141.2 | 168.4 | -71.1 | -100.3 | -144 | 0 | 0 | 109.4 | E253 L271 | M251-E253 PolarHBondContact O-N 3.22Å; M251-L271 WeakPolarHBondContact CE-O 3.42Å |
| 252 | K | 81.4 | Confident | 69.8 | Low | 151 Ų | 151 | 111.9 Ų | 111.9 | 66% | 0.657 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 119.3 | 175.8 | -174 | -176.7 | 177.4 | -116.9 | 0 | 109.2 | D254 | K252-D254 VanDerWaalsContact CE-OD1 3.32Å; K252-D254 WeakPolarHBondContact CE-OD1 3.41Å; K252-D254 IonicContact NZ-OD1 3.74Å; K252-D254 PolarHBondContact NZ-OD1 3.47Å; K252-D254 IonicContact NZ-OD2 2.78Å; K252-D254 PolarHBondContact NZ-OD2 2.97Å |
| 253 | E | 86.2 | Confident | 71.7 | Confident | 99 Ų | 99 | 112.4 Ų | 112.4 | 46% | 0.463 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -101.3 | 122.5 | 171.3 | -65.6 | -175.3 | 167.2 | 0 | 0 | 109.2 | K235 M251 | K235-E253 VanDerWaalsContact CE-OE2 3.27Å; K235-E253 WeakPolarHBondContact CE-OE2 3.43Å; K235-E253 IonicContact NZ-OE1 3.23Å; K235-E253 IonicContact NZ-OE2 3.57Å; K235-E253 PolarHBondContact NZ-OE2 3.15Å; M251-E253 PolarHBondContact O-N 3.22Å |
| 254 | D | 87 | Confident | 73.7 | Confident | 65 Ų | 65 | 107.2 Ų | 107.2 | 35% | 0.348 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 128.2 | 171.3 | -73.9 | -53.5 | 0 | 0 | 0 | 108.5 | M195 K252 V269 | M195-D254 HydrophobicContact CE-CB 3.34Å; K252-D254 VanDerWaalsContact CE-OD1 3.32Å; K252-D254 WeakPolarHBondContact CE-OD1 3.41Å; K252-D254 IonicContact NZ-OD1 3.74Å; K252-D254 PolarHBondContact NZ-OD1 3.47Å; K252-D254 IonicContact NZ-OD2 2.78Å; K252-D254 PolarHBondContact NZ-OD2 2.97Å; D254-V269 PolarHBondContact N-O 2.84Å; D254-V269 PolarHBondContact O-N 3.36Å |
| 255 | V | 90.4 | Very high | 75.8 | Confident | 83 Ų | 83 | 101.6 Ų | 101.6 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 139.3 | -171 | -177.2 | 0 | 0 | 0 | 0 | 110.8 | F267 A268 | V255-F267 CarbonylContact C-O 3.56Å; V255-F267 VanDerWaalsContact CA-O 3.3Å; V255-F267 WeakPolarHBondContact CA-O 3.44Å; V255-F267 WeakPolarHBondContact CG1-O 3.35Å; V255-A268 HydrophobicContact CG2-CB 4.01Å |
| 256 | F | 90.3 | Very high | 77.9 | Confident | 17 Ų | 17 | 102.8 Ų | 102.8 | 8% | 0.075 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 156.3 | 170.4 | 68.2 | -89 | 0 | 0 | 0 | 111.6 | V185 A194 M195 L232 V258 F267 V269 | V185-F256 HydrophobicContact CG1-CE2 3.82Å; V185-F256 HydrophobicContact CG1-CZ 4.33Å; A194-F256 HydrophobicContact CB-CB 4.47Å; A194-F256 HydrophobicContact CB-CD1 4.35Å; A194-F256 HydrophobicContact CB-CD2 3.85Å; A194-F256 HydrophobicContact CB-CE2 4.14Å; A194-F256 HydrophobicContact CB-CG 3.97Å; A194-F256 HydrophobicContact CB-CZ 4.49Å; M195-F256 HydrophobicContact SD-CD1 3.81Å; M195-F256 HydrophobicContact SD-CE1 4.12Å; L232-F256 HydrophobicContact CD1-CE1 4.17Å; L232-F256 HydrophobicContact CD1-CZ 4.1Å; F256-V258 HydrophobicContact CD2-CG2 3.85Å; F256-V258 HydrophobicContact CE2-CG2 3.54Å; F256-F267 HydrophobicContact CD1-CB 4.37Å; F256-F267 HydrophobicContact CE1-CB 3.83Å; F256-F267 HydrophobicContact CE2-CB 3.98Å; F256-F267 HydrophobicContact CE2-CD2 4.14Å; F256-F267 HydrophobicContact CE2-CG 4.37Å; F256-F267 HydrophobicContact CZ-CB 3.62Å; F256-F267 HydrophobicContact CZ-CD2 4.44Å; F256-F267 HydrophobicContact CZ-CG 4.22Å; F256-F267 PolarHBondContact N-O 3.28Å; F256-F267 PolarHBondContact O-N 2.89Å; F256-V269 HydrophobicContact CD1-CG2 4.38Å; F256-V269 HydrophobicContact CE1-CG2 3.81Å |
| 257 | E | 89.2 | Confident | 79.6 | Confident | 86 Ų | 86 | 94.4 Ų | 94.4 | 40% | 0.402 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 142.9 | 179.2 | -62.4 | -168.6 | 157.9 | 0 | 0 | 110.4 | V264 S265 R266 | E257-V264 HydrophobicContact CB-CG1 4.12Å; E257-V264 HydrophobicContact CG-CG1 4.4Å; E257-S265 WeakPolarHBondContact CA-O 3.46Å; E257-R266 HydrophobicContact CG-CG 3.86Å; E257-R266 IonicContact OE1-CZ 3.96Å; E257-R266 VanDerWaalsContact OE1-CZ 3.23Å; E257-R266 IonicContact OE1-NE 2.98Å; E257-R266 PolarHBondContact OE1-NE 3.11Å; E257-R266 IonicContact OE1-NH2 3.31Å; E257-R266 PolarHBondContact OE1-NH2 3Å |
| 258 | V | 86.7 | Confident | 81.4 | Confident | 1 Ų | 1 | 89.3 Ų | 89.3 | 1% | 0.006 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.6 | 174.2 | -179.8 | 0 | 0 | 0 | 0 | 108.3 | L164 V169 V185 F256 V264 S265 F267 | L164-V258 HydrophobicContact CD1-CG1 4.5Å; L164-V258 HydrophobicContact CD1-CG2 3.85Å; V169-V258 HydrophobicContact CB-CG1 4.31Å; V169-V258 HydrophobicContact CG1-CG1 4.04Å; V169-V258 HydrophobicContact CG2-CG1 4.11Å; V185-V258 HydrophobicContact CB-CG2 4.45Å; V185-V258 HydrophobicContact CG1-CG2 4.43Å; V185-V258 HydrophobicContact CG2-CG2 4.26Å; F256-V258 HydrophobicContact CD2-CG2 3.85Å; F256-V258 HydrophobicContact CE2-CG2 3.54Å; V258-V264 WeakPolarHBondContact O-CA 3.28Å; V258-S265 PolarHBondContact N-O 2.9Å; V258-S265 PolarHBondContact O-N 3.17Å; V258-F267 HydrophobicContact CB-CD2 4.4Å; V258-F267 HydrophobicContact CB-CE2 4.17Å; V258-F267 HydrophobicContact CG2-CD2 3.83Å; V258-F267 HydrophobicContact CG2-CE2 3.96Å |
| 259 | K | 85.2 | Confident | 83.2 | Confident | 106 Ų | 106 | 85.5 Ų | 85.5 | 46% | 0.461 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 114.7 | 174.1 | -54 | -177.6 | -175.2 | 160.1 | 0 | 109.8 | E187 M263 V264 | E187-K259 HydrophobicContact CG-CB 4.14Å; E187-K259 VanDerWaalsContact OE1-CB 3.23Å; E187-K259 WeakPolarHBondContact OE1-CB 3.27Å; E187-K259 VanDerWaalsContact OE1-CD 3.28Å; E187-K259 WeakPolarHBondContact OE1-CD 3.38Å; E187-K259 WeakPolarHBondContact OE1-CG 3.12Å; K259-M263 WeakPolarHBondContact CA-O 3.13Å; K259-V264 HydrophobicContact CG-CG1 4.48Å; K259-V264 HydrophobicContact CG-CG2 4.12Å |
| 260 | D | 80.1 | Confident | 84.9 | Confident | 57 Ų | 57 | 78 Ų | 78 | 31% | 0.305 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 132.3 | 172.9 | -175.9 | 47.7 | 0 | 0 | 0 | 110.6 | V169 G262 M263 | V169-D260 HydrophobicContact CG2-CB 3.71Å; D260-G262 PolarHBondContact O-N 3.44Å; D260-M263 PolarHBondContact N-O 2.74Å; D260-M263 PolarHBondContact O-N 2.65Å |
| 261 | R | 77 | Confident | 86.3 | Confident | 233 Ų | 233 | 73.2 Ų | 73.2 | 88% | 0.879 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.7 | 31.3 | 179 | -59.2 | 177.4 | -169.6 | -148.2 | 2.7 | 115.1 | ||
| 262 | G | 75.2 | Confident | 87.3 | Confident | 82 Ų | 82 | 70.3 Ų | 70.3 | 85% | 0.845 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | -0.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | D260 | D260-G262 PolarHBondContact O-N 3.44Š|
| 263 | M | 82.3 | Confident | 88 | Confident | 123 Ų | 123 | 64.5 Ų | 64.5 | 61% | 0.606 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 138.9 | 171.4 | -155 | 170.2 | 103.4 | 0 | 0 | 110.1 | K259 D260 | K259-M263 WeakPolarHBondContact CA-O 3.13Å; D260-M263 PolarHBondContact N-O 2.74Å; D260-M263 PolarHBondContact O-N 2.65Å |
| 264 | V | 85.6 | Confident | 88.5 | Confident | 75 Ų | 75 | 62.9 Ų | 62.9 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 117.3 | 175.8 | -172.1 | 0 | 0 | 0 | 0 | 108.4 | E257 V258 K259 | E257-V264 HydrophobicContact CB-CG1 4.12Å; E257-V264 HydrophobicContact CG-CG1 4.4Å; V258-V264 WeakPolarHBondContact O-CA 3.28Å; K259-V264 HydrophobicContact CG-CG1 4.48Å; K259-V264 HydrophobicContact CG-CG2 4.12Å |
| 265 | S | 87.9 | Confident | 89 | Confident | 22 Ų | 22 | 60 Ų | 60 | 15% | 0.154 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 138 | 174.5 | -67.9 | 0 | 0 | 0 | 0 | 109.9 | T167 E257 V258 | T167-S265 WeakPolarHBondContact CG2-OG 3.43Å; E257-S265 WeakPolarHBondContact CA-O 3.46Å; V258-S265 PolarHBondContact N-O 2.9Å; V258-S265 PolarHBondContact O-N 3.17Å |
| 266 | R | 90.3 | Very high | 89.3 | Confident | 133 Ų | 133 | 59.5 Ų | 59.5 | 50% | 0.502 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 134.5 | 178.3 | -81.4 | 172.6 | -179.8 | 178.5 | 1.4 | 110 | K235 E257 | K235-R266 HydrophobicContact CB-CB 3.94Å; K235-R266 PolarHBondContact N-O 3.25Å; E257-R266 HydrophobicContact CG-CG 3.86Å; E257-R266 IonicContact OE1-CZ 3.96Å; E257-R266 VanDerWaalsContact OE1-CZ 3.23Å; E257-R266 IonicContact OE1-NE 2.98Å; E257-R266 PolarHBondContact OE1-NE 3.11Å; E257-R266 IonicContact OE1-NH2 3.31Å; E257-R266 PolarHBondContact OE1-NH2 3Å |
| 267 | F | 91.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 0% | 0.004 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 134.9 | 175.8 | -66.2 | -86.6 | 0 | 0 | 0 | 109.7 | L164 T167 L232 C233 A234 V255 F256 V258 | L164-F267 HydrophobicContact CB-CE1 4.19Å; L164-F267 HydrophobicContact CB-CE2 4.44Å; L164-F267 HydrophobicContact CB-CZ 3.85Å; L164-F267 HydrophobicContact CD1-CD2 4.29Å; L164-F267 HydrophobicContact CD1-CE2 3.92Å; L164-F267 HydrophobicContact CD1-CZ 4.17Å; L164-F267 HydrophobicContact CD2-CD1 4.23Å; L164-F267 HydrophobicContact CD2-CE1 4.15Å; L164-F267 HydrophobicContact CD2-CG 4.49Å; L164-F267 HydrophobicContact CD2-CZ 4.35Å; L164-F267 HydrophobicContact CG-CZ 4.36Å; T167-F267 HydrophobicContact CG2-CE2 4.3Å; T167-F267 HydrophobicContact CG2-CZ 4.04Å; L232-F267 HydrophobicContact CD2-CB 4.33Å; L232-F267 HydrophobicContact CD2-CD1 3.62Å; L232-F267 HydrophobicContact CD2-CE1 4.35Å; L232-F267 HydrophobicContact CD2-CG 4.28Å; C233-F267 WeakPolarHBondContact O-CA 3.44Å; A234-F267 HydrophobicContact CB-CD1 4.15Å; A234-F267 HydrophobicContact CB-CE1 3.84Å; V255-F267 CarbonylContact C-O 3.56Å; V255-F267 VanDerWaalsContact CA-O 3.3Å; V255-F267 WeakPolarHBondContact CA-O 3.44Å; V255-F267 WeakPolarHBondContact CG1-O 3.35Å; F256-F267 HydrophobicContact CD1-CB 4.37Å; F256-F267 HydrophobicContact CE1-CB 3.83Å; F256-F267 HydrophobicContact CE2-CB 3.98Å; F256-F267 HydrophobicContact CE2-CD2 4.14Å; F256-F267 HydrophobicContact CE2-CG 4.37Å; F256-F267 HydrophobicContact CZ-CB 3.62Å; F256-F267 HydrophobicContact CZ-CD2 4.44Å; F256-F267 HydrophobicContact CZ-CG 4.22Å; F256-F267 PolarHBondContact N-O 3.28Å; F256-F267 PolarHBondContact O-N 2.89Å; V258-F267 HydrophobicContact CB-CD2 4.4Å; V258-F267 HydrophobicContact CB-CE2 4.17Å; V258-F267 HydrophobicContact CG2-CD2 3.83Å; V258-F267 HydrophobicContact CG2-CE2 3.96Å |
| 268 | A | 92.1 | Very high | 89.8 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 136.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | L232 C233 K235 V255 | L232-A268 WeakPolarHBondContact CA-O 3.33Å; C233-A268 PolarHBondContact N-O 3.3Å; C233-A268 PolarHBondContact O-N 2.86Å; K235-A268 HydrophobicContact CD-CB 4.33Å; K235-A268 VanDerWaalsContact CE-CB 3.47Å; K235-A268 HydrophobicContact CG-CB 3.94Å; V255-A268 HydrophobicContact CG2-CB 4.01Å |
| 269 | V | 94.1 | Very high | 90.2 | Very high | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.03 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130.7 | 174.6 | -173.6 | 0 | 0 | 0 | 0 | 109.5 | L183 M195 L197 W230 R231 L232 D254 F256 | L183-V269 HydrophobicContact CD1-CG2 4.33Å; M195-V269 HydrophobicContact CE-CB 4.21Å; M195-V269 HydrophobicContact SD-CB 3.91Å; M195-V269 HydrophobicContact SD-CG2 3.6Å; M195-V269 VanDerWaalsContact SD-CG2 3.6Å; L197-V269 HydrophobicContact CD2-CB 4.45Å; L197-V269 HydrophobicContact CD2-CG1 3.72Å; W230-V269 HydrophobicContact CB-CG1 4.33Å; R231-V269 CarbonylContact O-C 3.59Å; R231-V269 VanDerWaalsContact O-CA 3.26Å; R231-V269 WeakPolarHBondContact O-CA 3.41Å; L232-V269 HydrophobicContact CB-CG2 4.19Å; L232-V269 HydrophobicContact CD1-CG2 3.85Å; L232-V269 HydrophobicContact CG-CG2 3.94Å; D254-V269 PolarHBondContact N-O 2.84Å; D254-V269 PolarHBondContact O-N 3.36Å; F256-V269 HydrophobicContact CD1-CG2 4.38Å; F256-V269 HydrophobicContact CE1-CG2 3.81Å |
| 270 | S | 94.1 | Very high | 90.7 | Very high | 19 Ų | 19 | 62.3 Ų | 62.3 | 13% | 0.133 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 156.9 | 175.5 | 58.2 | 0 | 0 | 0 | 0 | 111 | W230 R231 | W230-S270 CarbonylContact C-O 3.57Å; W230-S270 WeakPolarHBondContact CA-O 3.32Å; R231-S270 PolarHBondContact N-O 2.93Å; R231-S270 PolarHBondContact O-N 2.74Å |
| 271 | L | 94.5 | Very high | 91.5 | Very high | 54 Ų | 54 | 64.6 Ų | 64.6 | 28% | 0.283 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 121.4 | 169.8 | -178.5 | 68.2 | 0 | 0 | 0 | 108.4 | R228 W230 M251 V274 | R228-L271 HydrophobicContact CB-CD1 3.99Å; R228-L271 HydrophobicContact CG-CD1 4.32Å; W230-L271 HydrophobicContact CD2-CD1 4.1Å; W230-L271 HydrophobicContact CE3-CB 4.13Å; W230-L271 HydrophobicContact CE3-CD1 3.9Å; W230-L271 HydrophobicContact CH2-CD1 4.05Å; W230-L271 HydrophobicContact CZ2-CD1 4.25Å; W230-L271 HydrophobicContact CZ3-CB 4.04Å; W230-L271 HydrophobicContact CZ3-CD1 3.88Å; M251-L271 WeakPolarHBondContact CE-O 3.42Å; L271-V274 HydrophobicContact CD1-CG2 4.43Å; L271-V274 HydrophobicContact CD2-CG2 3.89Å |
| 272 | E | 93.1 | Very high | 92.5 | Very high | 59 Ų | 59 | 53.5 Ų | 53.5 | 28% | 0.276 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -53.7 | 178.7 | -179.8 | 66.6 | -173.6 | 0 | 0 | 110.8 | V229 R231 | V229-E272 HydrophobicContact CB-CB 4.29Å; V229-E272 HydrophobicContact CG1-CB 4.16Å; V229-E272 HydrophobicContact CG1-CG 4.46Å; V229-E272 WeakPolarHBondContact O-CA 3.23Å; V229-E272 VanDerWaalsContact O-CB 3.3Å; V229-E272 WeakPolarHBondContact O-CB 3.19Å; V229-E272 PolarHBondContact O-N 3.23Å; R231-E272 HydrophobicContact CB-CB 4.37Å; R231-E272 IonicContact CZ-OE1 2.65Å; R231-E272 IonicContact CZ-OE2 3.41Å; R231-E272 VanDerWaalsContact CZ-OE2 3.32Å; R231-E272 IonicContact NE-OE1 3.11Å; R231-E272 IonicContact NE-OE2 3.94Å; R231-E272 PolarHBondContact NE-OE2 2.99Å; R231-E272 IonicContact NH2-OE1 3.15Å; R231-E272 PolarHBondContact NH2-OE1 3.33Å; R231-E272 IonicContact NH2-OE2 3.21Å; R231-E272 PolarHBondContact NH2-OE2 2.84Å |
| 273 | T | 95.4 | Very high | 93.4 | Very high | 29 Ų | 29 | 50.4 Ų | 50.4 | 18% | 0.178 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 159 | -176.7 | -173 | 0 | 0 | 0 | 0 | 112 | V229 L275 W324 | V229-T273 HydrophobicContact CB-CG2 3.68Å; V229-T273 HydrophobicContact CG2-CG2 3.72Å; V229-T273 PolarHBondContact N-O 2.84Å; V229-T273 PolarHBondContact O-N 3.47Å; T273-L275 HydrophobicContact CG2-CD2 3.85Å; T273-L275 HydrophobicContact CG2-CG 4.35Å; T273-W324 HydrophobicContact CG2-CB 4.39Å; T273-W324 VanDerWaalsContact CG2-CD1 3.47Å; T273-W324 HydrophobicContact CG2-CD2 4.15Å; T273-W324 HydrophobicContact CG2-CG 3.74Å |
| 274 | V | 97 | Very high | 94 | Very high | 66 Ų | 66 | 45 Ų | 45 | 40% | 0.4 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 119.9 | 169.9 | -173.6 | 0 | 0 | 0 | 0 | 107.8 | L226 I227 R228 L271 | L226-V274 HydrophobicContact CB-CG1 4.43Å; L226-V274 HydrophobicContact CD1-CG1 4.33Å; L226-V274 HydrophobicContact CD2-CG1 4.34Å; I227-V274 CarbonylContact O-C 3.58Å; I227-V274 WeakPolarHBondContact O-CA 3.42Å; R228-V274 HydrophobicContact CG-CG1 4.32Å; R228-V274 HydrophobicContact CG-CG2 4.26Å; L271-V274 HydrophobicContact CD1-CG2 4.43Å; L271-V274 HydrophobicContact CD2-CG2 3.89Å |
| 275 | L | 97.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 122.4 | 179.4 | -44 | 174 | 0 | 0 | 0 | 108.9 | I227 V229 T273 L303 W315 W324 | I227-L275 HydrophobicContact CB-CB 4.13Å; I227-L275 HydrophobicContact CB-CD1 4.33Å; I227-L275 HydrophobicContact CB-CG 4.48Å; I227-L275 HydrophobicContact CG2-CD1 4.16Å; I227-L275 PolarHBondContact N-O 2.88Å; I227-L275 VanDerWaalsContact N-O 3.1Å; I227-L275 PolarHBondContact O-N 3.19Å; V229-L275 HydrophobicContact CG2-CD1 4.41Å; T273-L275 HydrophobicContact CG2-CD2 3.85Å; T273-L275 HydrophobicContact CG2-CG 4.35Å; L275-L303 HydrophobicContact CD1-CD2 3.82Å; L275-W315 HydrophobicContact CB-CD2 4.15Å; L275-W315 HydrophobicContact CB-CE3 4.08Å; L275-W315 HydrophobicContact CB-CH2 4.16Å; L275-W315 HydrophobicContact CB-CZ2 4.22Å; L275-W315 HydrophobicContact CB-CZ3 4.09Å; L275-W315 HydrophobicContact CD1-CB 4Å; L275-W315 HydrophobicContact CD1-CD2 3.84Å; L275-W315 HydrophobicContact CD1-CE3 4.26Å; L275-W315 HydrophobicContact CD1-CG 3.73Å; L275-W315 HydrophobicContact CD2-CE3 4.14Å; L275-W315 HydrophobicContact CG-CD2 4.41Å; L275-W315 HydrophobicContact CG-CE3 4.39Å; L275-W324 HydrophobicContact CD1-CE3 4.5Å; L275-W324 HydrophobicContact CD2-CB 3.41Å; L275-W324 VanDerWaalsContact CD2-CB 3.41Å; L275-W324 HydrophobicContact CD2-CD2 4.32Å; L275-W324 HydrophobicContact CD2-CE3 4.42Å; L275-W324 HydrophobicContact CD2-CG 3.93Å |
| 276 | A | 95.8 | Very high | 94.9 | Very high | 72 Ų | 72 | 41.4 Ų | 41.4 | 60% | 0.595 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 123.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | L226 | L226-A276 HydrophobicContact CD2-CB 3.58Å |
| 277 | G | 94.1 | Very high | 95.2 | Very high | 24 Ų | 24 | 35.8 Ų | 35.8 | 25% | 0.247 | 20% | 0.198 | C | C | . | . | trans | -178.2 | -18.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R329 | G277-R329 PolarHBondContact O-NH1 3.27Å; G277-R329 PolarHBondContact O-NH2 3.1Å | ||
| 278 | H | 96.6 | Very high | 95.3 | Very high | 14 Ų | 14 | 36.7 Ų | 36.7 | 7% | 0.065 | 20% | 0.203 | C | C | . | . | trans | -80.6 | 148.4 | 167.8 | -74.8 | -58 | 0 | 0 | 0 | 111.6 | V282 S305 S307 D309 T311 | H278-V282 HydrophobicContact CB-CG2 3.79Å; H278-S305 WeakPolarHBondContact NE2-CB 3.19Å; H278-S305 PolarHBondContact NE2-OG 3.45Å; H278-S307 VanDerWaalsContact CE1-CB 3.47Å; H278-S307 WeakPolarHBondContact CE1-CB 3.05Å; H278-S307 VanDerWaalsContact CG-CB 3.47Å; H278-S307 WeakPolarHBondContact ND1-CB 3.07Å; H278-D309 VanDerWaalsContact CA-OD2 3.26Å; H278-D309 WeakPolarHBondContact CA-OD2 3.14Å; H278-D309 VanDerWaalsContact CB-OD2 3.32Å; H278-D309 WeakPolarHBondContact CB-OD2 3.26Å; H278-D309 IonicContact CG-OD2 2.74Å; H278-D309 IonicContact ND1-OD1 3.76Å; H278-D309 IonicContact ND1-OD2 2.62Å; H278-D309 PolarHBondContact ND1-OD2 3.33Å; H278-T311 PolarHBondContact CE1-OG1 3.05Å; H278-T311 VanDerWaalsContact CE1-OG1 3.27Å; H278-T311 PolarHBondContact ND1-OG1 3.12Å; H278-T311 VanDerWaalsContact ND1-OG1 3.1Å | ||
| 279 | E | 94.8 | Very high | 95.3 | Very high | 166 Ų | 166 | 37.8 Ų | 37.8 | 78% | 0.776 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -104.8 | 1.9 | -179.2 | -61.9 | -175 | 169.5 | 0 | 0 | 112.5 | D309 | E279-D309 HydrophobicContact CB-CB 4.4Å; E279-D309 PolarHBondContact N-OD2 3.26Å |
| 280 | N | 95.4 | Very high | 95 | Very high | 65 Ų | 65 | 38.5 Ų | 38.5 | 35% | 0.348 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -148.2 | -179.2 | 179.2 | -149.3 | -64.3 | 0 | 0 | 0 | 110.3 | S225 V282 S307 M308 D309 | S225-N280 WeakPolarHBondContact CB-O 3.41Å; S225-N280 PolarHBondContact OG-O 3.15Å; N280-V282 PolarHBondContact O-N 3.27Å; N280-S307 PolarHBondContact O-OG 3.08Å; N280-M308 HydrophobicContact CB-CB 4.19Å; N280-D309 HydrophobicContact CB-CB 3.89Å |
| 281 | W | 96.8 | Very high | 94.7 | Very high | 105 Ų | 105 | 39.5 Ų | 39.5 | 40% | 0.398 | 22% | 0.219 | S | C | . | . | trans | -48.5 | 125.4 | 178.6 | -62.3 | -12.5 | 0 | 0 | 0 | 112.5 | Q223 Y283 S307 M308 | Q223-W281 HydrophobicContact CB-CD2 4.43Å; Q223-W281 HydrophobicContact CB-CG 4.02Å; Q223-W281 HydrophobicContact CG-CB 4.26Å; Q223-W281 HydrophobicContact CG-CD2 3.97Å; Q223-W281 HydrophobicContact CG-CG 3.83Å; W281-Y283 HydrophobicContact CB-CD2 3.94Å; W281-Y283 HydrophobicContact CB-CE2 3.55Å; W281-Y283 HydrophobicContact CD2-CE2 4.32Å; W281-Y283 AromaticContact CE3-CE2 3.72Å; W281-Y283 HydrophobicContact CE3-CE2 3.72Å; W281-Y283 AromaticContact CE3-CZ 3.9Å; W281-Y283 VanDerWaalsContact CE3-OH 3.22Å; W281-Y283 HydrophobicContact CG-CE2 4.33Å; W281-Y283 WeakPolarHBondContact CZ3-OH 3.24Å; W281-S307 WeakPolarHBondContact O-CA 3.13Å; W281-S307 PolarHBondContact O-OG 2.75Å; W281-M308 HydrophobicContact CB-CB 4.49Å; W281-M308 HydrophobicContact CB-CG 4.38Å; W281-M308 PolarHBondContact O-N 2.97Å | ||
| 282 | V | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 116.7 | 174.1 | -171.7 | 0 | 0 | 0 | 0 | 108.4 | C221 S222 I227 H278 N280 A306 | C221-V282 HydrophobicContact CB-CB 3.9Å; C221-V282 HydrophobicContact CB-CG1 3.55Å; S222-V282 PolarHBondContact O-N 2.92Å; S222-V282 VanDerWaalsContact O-N 3.15Å; I227-V282 HydrophobicContact CD1-CG1 4.17Å; I227-V282 HydrophobicContact CG1-CG1 3.99Å; I227-V282 HydrophobicContact CG1-CG2 4.47Å; H278-V282 HydrophobicContact CB-CG2 3.79Å; N280-V282 PolarHBondContact O-N 3.27Å; V282-A306 WeakPolarHBondContact CG1-O 3.28Å |
| 283 | Y | 94.9 | Very high | 93.4 | Very high | 16 Ų | 16 | 45.4 Ų | 45.4 | 6% | 0.063 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -27.9 | -174.3 | -88.4 | -100.6 | 0 | 0 | 0 | 113.9 | P19 R205 W281 A306 M308 Y341 | P19-Y283 HydrophobicContact CB-CD1 4.33Å; P19-Y283 HydrophobicContact CG-CD1 3.61Å; P19-Y283 HydrophobicContact CG-CE1 4.15Å; R205-Y283 PolarHBondContact NH1-OH 2.72Å; W281-Y283 HydrophobicContact CB-CD2 3.94Å; W281-Y283 HydrophobicContact CB-CE2 3.55Å; W281-Y283 HydrophobicContact CD2-CE2 4.32Å; W281-Y283 AromaticContact CE3-CE2 3.72Å; W281-Y283 HydrophobicContact CE3-CE2 3.72Å; W281-Y283 AromaticContact CE3-CZ 3.9Å; W281-Y283 VanDerWaalsContact CE3-OH 3.22Å; W281-Y283 HydrophobicContact CG-CE2 4.33Å; W281-Y283 WeakPolarHBondContact CZ3-OH 3.24Å; Y283-A306 PolarHBondContact N-O 3.03Å; Y283-M308 HydrophobicContact CD2-CG 3.53Å; Y283-M308 HydrophobicContact CD2-SD 4.39Å; Y283-M308 HydrophobicContact CE2-CG 3.29Å; Y283-M308 HydrophobicContact CE2-SD 4.18Å; Y283-Y341 VanDerWaalsContact CB-O 3.26Å; Y283-Y341 WeakPolarHBondContact CB-O 3.47Å; Y283-Y341 AromaticContact CD1-CD1 3.58Å; Y283-Y341 HydrophobicContact CD1-CD1 3.58Å; Y283-Y341 HydrophobicContact CD1-CE1 4.01Å; Y283-Y341 AromaticContact CE1-CD1 3.61Å; Y283-Y341 HydrophobicContact CE1-CD1 3.61Å; Y283-Y341 AromaticContact CE1-CE1 3.52Å; Y283-Y341 HydrophobicContact CE1-CE1 3.52Å; Y283-Y341 HydrophobicContact CG-CD1 4.04Å; Y283-Y341 AromaticContact CZ-CE1 3.94Å |
| 284 | G | 94.4 | Very high | 92.6 | Very high | 10 Ų | 10 | 48 Ų | 48 | 10% | 0.103 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 140 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112 | S305 A306 | G284-S305 WeakPolarHBondContact O-CA 3.15Å; G284-A306 PolarHBondContact N-O 3Å; G284-A306 PolarHBondContact O-N 2.99Å |
| 285 | V | 97 | Very high | 91.7 | Very high | 6 Ų | 6 | 48 Ų | 48 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 142.6 | 166.7 | -74.2 | 0 | 0 | 0 | 0 | 108.9 | K208 A219 C221 I227 L303 L304 | K208-V285 HydrophobicContact CG-CG2 4.31Å; K208-V285 WeakPolarHBondContact CG-O 3.35Å; A219-V285 HydrophobicContact CB-CB 4.46Å; A219-V285 HydrophobicContact CB-CG2 4.25Å; C221-V285 HydrophobicContact CB-CG1 3.65Å; C221-V285 HydrophobicContact CB-CG2 4.4Å; I227-V285 HydrophobicContact CD1-CG1 4.21Å; I227-V285 HydrophobicContact CG1-CG1 4.16Å; I227-V285 HydrophobicContact CG2-CG1 4.08Å; V285-L303 HydrophobicContact CB-CD1 4.25Å; V285-L304 CarbonylContact C-O 3.57Å; V285-L304 VanDerWaalsContact CA-O 3.26Å; V285-L304 WeakPolarHBondContact CA-O 3.39Å |
| 286 | S | 96.6 | Very high | 91 | Very high | 15 Ų | 15 | 54.3 Ų | 54.3 | 11% | 0.105 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 124.2 | 177.1 | -173.4 | 0 | 0 | 0 | 0 | 109.9 | L304 | S286-L304 PolarHBondContact N-O 2.76Å; S286-L304 WeakPolarHBondContact O-CB 3.39Å; S286-L304 PolarHBondContact O-N 2.87Å |
| 287 | W | 95.5 | Very high | 90.4 | Very high | 15 Ų | 15 | 54.2 Ų | 54.2 | 6% | 0.057 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 149.7 | 168.9 | -65.8 | 106.1 | 0 | 0 | 0 | 110.7 | K208 A210 L217 A219 V229 L303 W324 | K208-W287 PolarHBondContact O-NE1 2.9Å; A210-W287 HydrophobicContact CB-CB 4.19Å; A210-W287 HydrophobicContact CB-CD2 3.68Å; A210-W287 HydrophobicContact CB-CE3 4.29Å; A210-W287 HydrophobicContact CB-CG 3.61Å; L217-W287 HydrophobicContact CB-CH2 4.29Å; L217-W287 HydrophobicContact CB-CZ2 4.01Å; L217-W287 HydrophobicContact CD1-CH2 4.28Å; A219-W287 HydrophobicContact CB-CZ2 3.63Å; V229-W287 HydrophobicContact CG1-CH2 4.07Å; V229-W287 HydrophobicContact CG1-CZ2 4.21Å; V229-W287 HydrophobicContact CG2-CH2 4.4Å; W287-L303 HydrophobicContact CD2-CD1 3.67Å; W287-L303 HydrophobicContact CE3-CB 3.97Å; W287-L303 HydrophobicContact CE3-CD1 3.9Å; W287-L303 HydrophobicContact CG-CD1 4.11Å; W287-L303 HydrophobicContact CH2-CB 4.35Å; W287-L303 HydrophobicContact CH2-CD1 4.36Å; W287-L303 HydrophobicContact CH2-CD2 4.45Å; W287-L303 HydrophobicContact CZ2-CD1 4.17Å; W287-L303 HydrophobicContact CZ3-CB 3.83Å; W287-L303 HydrophobicContact CZ3-CD1 4.23Å; W287-L303 HydrophobicContact CZ3-CG 4.49Å; W287-W324 HydrophobicContact CH2-CH2 4.06Å; W287-W324 HydrophobicContact CH2-CZ2 4.49Å; W287-W324 AromaticContact CZ3-CH2 3.75Å; W287-W324 HydrophobicContact CZ3-CH2 3.75Å; W287-W324 HydrophobicContact CZ3-CZ3 4.47Å |
| 288 | Q | 94.1 | Very high | 90.1 | Very high | 21 Ų | 21 | 57.4 Ų | 57.4 | 10% | 0.098 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 129.3 | 161.8 | -177.2 | 166.3 | -26 | 0 | 0 | 108.6 | Q299 P300 I302 M345 | Q288-Q299 PolarHBondContact O-NE2 3.19Å; Q288-P300 HydrophobicContact CB-CB 4.24Å; Q288-P300 HydrophobicContact CB-CG 4.42Å; Q288-P300 HydrophobicContact CG-CB 4.26Å; Q288-P300 HydrophobicContact CG-CG 4.02Å; Q288-I302 HydrophobicContact CB-CB 3.96Å; Q288-I302 HydrophobicContact CB-CG2 4.38Å; Q288-I302 PolarHBondContact N-O 2.89Å; Q288-M345 HydrophobicContact CB-CE 3.67Å; Q288-M345 HydrophobicContact CB-SD 3.54Å; Q288-M345 VanDerWaalsContact CB-SD 3.54Å; Q288-M345 HydrophobicContact CG-CE 4.37Å; Q288-M345 HydrophobicContact CG-SD 3.56Å; Q288-M345 VanDerWaalsContact CG-SD 3.56Å |
| 289 | P | 90.6 | Very high | 89.8 | Confident | 27 Ų | 27 | 58 Ų | 58 | 18% | 0.175 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 150.3 | 175.8 | -24.5 | 35.7 | 0 | 0 | 0 | 111.8 | V291 | P289-V291 PolarHBondContact O-N 2.8Š|
| 290 | P | 89.2 | Confident | 89.6 | Confident | 20 Ų | 20 | 51.3 Ų | 51.3 | 13% | 0.13 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 138.8 | 171.1 | -30 | 31.3 | 0 | 0 | 0 | 112.9 | N70 L297 Q298 Q299 | N70-P290 PolarHBondContact ND2-O 3.3Å; N70-P290 PolarHBondContact OD1-O 3.1Å; P290-L297 HydrophobicContact CB-CD1 3.7Å; P290-L297 HydrophobicContact CB-CD2 4.21Å; P290-L297 HydrophobicContact CB-CG 3.89Å; P290-Q298 CarbonylContact C-O 3.46Å; P290-Q298 VanDerWaalsContact CA-O 3.27Å; P290-Q298 WeakPolarHBondContact CA-O 3.12Å; P290-Q299 VanDerWaalsContact CD-OE1 3.3Å; P290-Q299 VanDerWaalsContact CG-OE1 3.27Å |
| 291 | V | 86.9 | Confident | 89.6 | Confident | 41 Ų | 41 | 51.3 Ų | 51.3 | 25% | 0.248 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 149.9 | 178.9 | -64.7 | 0 | 0 | 0 | 0 | 109.9 | P289 Q298 P300 P347 | P289-V291 PolarHBondContact O-N 2.8Å; V291-Q298 PolarHBondContact N-O 2.78Å; V291-Q298 PolarHBondContact O-N 3.29Å; V291-P300 HydrophobicContact CG2-CG 3.84Å; V291-P347 WeakPolarHBondContact CG1-O 3.36Å |
| 292 | Y | 83.5 | Confident | 89.5 | Confident | 138 Ų | 138 | 48.7 Ų | 48.7 | 54% | 0.541 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 122.3 | 171.3 | -80.9 | -80.9 | 0 | 0 | 0 | 109.4 | D69 N70 E296 L297 | D69-Y292 PolarHBondContact O-OH 2.82Å; N70-Y292 HydrophobicContact CB-CE2 3.98Å; Y292-E296 WeakPolarHBondContact CA-O 3.49Å; Y292-L297 HydrophobicContact CD2-CD1 4.2Å; Y292-L297 HydrophobicContact CE1-CB 4.28Å; Y292-L297 HydrophobicContact CE1-CD1 4.42Å; Y292-L297 HydrophobicContact CE2-CD1 4.08Å; Y292-L297 HydrophobicContact CG-CD1 4.43Å |
| 293 | D | 78.1 | Confident | 89.5 | Confident | 99 Ų | 99 | 48.7 Ų | 48.7 | 53% | 0.529 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 127.6 | 170 | -173.3 | 22.3 | 0 | 0 | 0 | 109.4 | G295 E296 | D293-G295 PolarHBondContact O-N 2.9Å; D293-E296 PolarHBondContact N-O 2.79Å; D293-E296 PolarHBondContact O-N 3.36Å |
| 294 | G | 77.6 | Confident | 89.7 | Confident | 84 Ų | 84 | 47.9 Ų | 47.9 | 87% | 0.866 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 14.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 295 | G | 78.9 | Confident | 89.8 | Confident | 64 Ų | 64 | 47.4 Ų | 47.4 | 66% | 0.66 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.4 | -4.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D293 | D293-G295 PolarHBondContact O-N 2.9Š|
| 296 | E | 82.6 | Confident | 89.8 | Confident | 138 Ų | 138 | 47.1 Ų | 47.1 | 65% | 0.645 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 146.4 | 172.7 | -66.6 | -169.9 | 164.9 | 0 | 0 | 110.9 | Y292 D293 Q298 | Y292-E296 WeakPolarHBondContact CA-O 3.49Å; D293-E296 PolarHBondContact N-O 2.79Å; D293-E296 PolarHBondContact O-N 3.36Å; E296-Q298 PolarHBondContact O-N 3.48Å |
| 297 | L | 83.4 | Confident | 89.8 | Confident | 70 Ų | 70 | 46.4 Ų | 46.4 | 37% | 0.366 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 113.4 | 176.8 | -172.5 | 69.2 | 0 | 0 | 0 | 109 | N70 P290 Y292 | N70-L297 HydrophobicContact CB-CD1 3.61Å; N70-L297 HydrophobicContact CB-CD2 4.24Å; N70-L297 VanDerWaalsContact ND2-CD1 3.32Å; N70-L297 WeakPolarHBondContact ND2-CD1 3.1Å; P290-L297 HydrophobicContact CB-CD1 3.7Å; P290-L297 HydrophobicContact CB-CD2 4.21Å; P290-L297 HydrophobicContact CB-CG 3.89Å; Y292-L297 HydrophobicContact CD2-CD1 4.2Å; Y292-L297 HydrophobicContact CE1-CB 4.28Å; Y292-L297 HydrophobicContact CE1-CD1 4.42Å; Y292-L297 HydrophobicContact CE2-CD1 4.08Å; Y292-L297 HydrophobicContact CG-CD1 4.43Å |
| 298 | Q | 87.6 | Confident | 89.8 | Confident | 92 Ų | 92 | 47 Ų | 47 | 43% | 0.43 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 140.2 | 178.7 | -62.9 | -168.1 | 5.3 | 0 | 0 | 110.6 | P290 V291 E296 P300 | P290-Q298 CarbonylContact C-O 3.46Å; P290-Q298 VanDerWaalsContact CA-O 3.27Å; P290-Q298 WeakPolarHBondContact CA-O 3.12Å; V291-Q298 PolarHBondContact N-O 2.78Å; V291-Q298 PolarHBondContact O-N 3.29Å; E296-Q298 PolarHBondContact O-N 3.48Å; Q298-P300 WeakPolarHBondContact O-CD 3.42Å |
| 299 | Q | 90.3 | Very high | 89.8 | Confident | 26 Ų | 26 | 47.6 Ų | 47.6 | 12% | 0.121 | 28% | 0.275 | C | S | . | . | trans | -95.4 | 109.3 | 173.4 | 171.7 | 63.5 | 69.6 | 0 | 0 | 108.7 | A210 C211 T212 Q288 P290 | A210-Q299 HydrophobicContact CB-CG 4.12Å; C211-Q299 WeakPolarHBondContact O-CB 3.31Å; C211-Q299 WeakPolarHBondContact O-CG 3.28Å; T212-Q299 HydrophobicContact CG2-CB 3.87Å; T212-Q299 HydrophobicContact CG2-CG 3.81Å; Q288-Q299 PolarHBondContact O-NE2 3.19Å; P290-Q299 VanDerWaalsContact CD-OE1 3.3Å; P290-Q299 VanDerWaalsContact CG-OE1 3.27Å | ||
| 300 | P | 91.6 | Very high | 89.9 | Confident | 25 Ų | 25 | 47.9 Ų | 47.9 | 16% | 0.162 | 27% | 0.274 | C | S | . | . | trans | -65.4 | 140 | 175.7 | -20.1 | 34.3 | 0 | 0 | 0 | 110.4 | Q288 V291 Q298 I302 | Q288-P300 HydrophobicContact CB-CB 4.24Å; Q288-P300 HydrophobicContact CB-CG 4.42Å; Q288-P300 HydrophobicContact CG-CB 4.26Å; Q288-P300 HydrophobicContact CG-CG 4.02Å; V291-P300 HydrophobicContact CG2-CG 3.84Å; Q298-P300 WeakPolarHBondContact O-CD 3.42Å; P300-I302 HydrophobicContact CB-CB 4.5Å; P300-I302 HydrophobicContact CB-CD1 4.23Å; P300-I302 HydrophobicContact CB-CG1 4.28Å; P300-I302 PolarHBondContact O-N 3.12Å | ||
| 301 | L | 93.6 | Very high | 90.2 | Very high | 66 Ų | 66 | 48 Ų | 48 | 35% | 0.346 | 27% | 0.274 | S | S | . | . | trans | -82.9 | 53.6 | 172.7 | -65.2 | -179 | 0 | 0 | 0 | 110.7 | T212 L217 P317 W324 | T212-L301 HydrophobicContact CG2-CD2 3.83Å; L217-L301 HydrophobicContact CD1-CD2 3.44Å; L217-L301 VanDerWaalsContact CD1-CD2 3.44Å; L301-P317 HydrophobicContact CB-CG 3.93Å; L301-P317 HydrophobicContact CD1-CG 4.13Å; L301-P317 WeakPolarHBondContact O-CD 3.4Å; L301-W324 HydrophobicContact CB-CH2 4.11Å; L301-W324 HydrophobicContact CB-CZ2 4.35Å; L301-W324 WeakPolarHBondContact O-CH2 3.45Å | ||
| 302 | I | 95.5 | Very high | 90.6 | Very high | 49 Ų | 49 | 46.1 Ų | 46.1 | 25% | 0.251 | 26% | 0.263 | S | S | . | . | trans | -117.8 | 121.1 | -180 | -63 | 171.8 | 0 | 0 | 0 | 108 | Q288 P300 I314 W315 A316 M345 | Q288-I302 HydrophobicContact CB-CB 3.96Å; Q288-I302 HydrophobicContact CB-CG2 4.38Å; Q288-I302 PolarHBondContact N-O 2.89Å; P300-I302 HydrophobicContact CB-CB 4.5Å; P300-I302 HydrophobicContact CB-CD1 4.23Å; P300-I302 HydrophobicContact CB-CG1 4.28Å; P300-I302 PolarHBondContact O-N 3.12Å; I302-I314 HydrophobicContact CG2-CG2 3.62Å; I302-W315 WeakPolarHBondContact CA-O 3.42Å; I302-A316 HydrophobicContact CG1-CB 4.19Å; I302-M345 HydrophobicContact CG2-CE 4.04Å | ||
| 303 | L | 97.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 130.1 | -179.4 | -177.5 | 67.4 | 0 | 0 | 0 | 109.9 | A219 I227 V229 L275 V285 W287 W315 W324 | A219-L303 HydrophobicContact CB-CD1 3.75Å; A219-L303 HydrophobicContact CB-CD2 3.85Å; A219-L303 HydrophobicContact CB-CG 4.49Å; I227-L303 HydrophobicContact CG2-CD2 3.96Å; V229-L303 HydrophobicContact CG2-CD2 4.28Å; L275-L303 HydrophobicContact CD1-CD2 3.82Å; V285-L303 HydrophobicContact CB-CD1 4.25Å; W287-L303 HydrophobicContact CD2-CD1 3.67Å; W287-L303 HydrophobicContact CE3-CB 3.97Å; W287-L303 HydrophobicContact CE3-CD1 3.9Å; W287-L303 HydrophobicContact CG-CD1 4.11Å; W287-L303 HydrophobicContact CH2-CB 4.35Å; W287-L303 HydrophobicContact CH2-CD1 4.36Å; W287-L303 HydrophobicContact CH2-CD2 4.45Å; W287-L303 HydrophobicContact CZ2-CD1 4.17Å; W287-L303 HydrophobicContact CZ3-CB 3.83Å; W287-L303 HydrophobicContact CZ3-CD1 4.23Å; W287-L303 HydrophobicContact CZ3-CG 4.49Å; L303-W315 HydrophobicContact CB-CB 4.31Å; L303-W315 PolarHBondContact N-O 2.95Å; L303-W315 PolarHBondContact O-N 3.06Å; L303-W324 HydrophobicContact CB-CZ3 4.11Å |
| 304 | L | 98.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 137.1 | 174.4 | -176.1 | 66.2 | 0 | 0 | 0 | 109.7 | V285 S286 M312 I313 I314 C343 M345 I352 | V285-L304 CarbonylContact C-O 3.57Å; V285-L304 VanDerWaalsContact CA-O 3.26Å; V285-L304 WeakPolarHBondContact CA-O 3.39Å; S286-L304 PolarHBondContact N-O 2.76Å; S286-L304 WeakPolarHBondContact O-CB 3.39Å; S286-L304 PolarHBondContact O-N 2.87Å; L304-M312 HydrophobicContact CD1-CE 3.59Å; L304-M312 HydrophobicContact CD2-CE 3.51Å; L304-M312 HydrophobicContact CG-CE 3.7Å; L304-I313 WeakPolarHBondContact CA-O 3.14Å; L304-I314 HydrophobicContact CD1-CG1 3.7Å; L304-C343 HydrophobicContact CD2-CB 3.69Å; L304-C343 HydrophobicContact CG-CB 3.88Å; L304-M345 HydrophobicContact CB-CE 3.97Å; L304-M345 HydrophobicContact CD2-CB 4.34Å; L304-I352 HydrophobicContact CD1-CG2 4.15Å; L304-I352 HydrophobicContact CD2-CB 4.08Å; L304-I352 HydrophobicContact CD2-CG2 3.87Å |
| 305 | S | 98.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 154.4 | 174.1 | 62.1 | 0 | 0 | 0 | 0 | 112.5 | H278 G284 M312 I313 W315 | H278-S305 WeakPolarHBondContact NE2-CB 3.19Å; H278-S305 PolarHBondContact NE2-OG 3.45Å; G284-S305 WeakPolarHBondContact O-CA 3.15Å; S305-M312 WeakPolarHBondContact O-CA 3.45Å; S305-M312 WeakPolarHBondContact O-CB 3.36Å; S305-I313 PolarHBondContact N-O 3.37Å; S305-I313 PolarHBondContact O-N 3.05Å; S305-I313 VanDerWaalsContact O-N 3.13Å; S305-I313 PolarHBondContact OG-O 3.06Å; S305-W315 PolarHBondContact OG-NE1 3.42Å |
| 306 | A | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 138.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V282 Y283 G284 M312 F340 C343 | V282-A306 WeakPolarHBondContact CG1-O 3.28Å; Y283-A306 PolarHBondContact N-O 3.03Å; G284-A306 PolarHBondContact N-O 3Å; G284-A306 PolarHBondContact O-N 2.99Å; A306-M312 HydrophobicContact CB-CG 4.03Å; A306-F340 HydrophobicContact CB-CB 3.94Å; A306-C343 HydrophobicContact CB-CB 3.77Å |
| 307 | S | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 158.8 | -172.4 | 171 | 0 | 0 | 0 | 0 | 113 | H278 N280 W281 D309 K310 T311 F340 | H278-S307 VanDerWaalsContact CE1-CB 3.47Å; H278-S307 WeakPolarHBondContact CE1-CB 3.05Å; H278-S307 VanDerWaalsContact CG-CB 3.47Å; H278-S307 WeakPolarHBondContact ND1-CB 3.07Å; N280-S307 PolarHBondContact O-OG 3.08Å; W281-S307 WeakPolarHBondContact O-CA 3.13Å; W281-S307 PolarHBondContact O-OG 2.75Å; S307-D309 VanDerWaalsContact CB-OD1 3.23Å; S307-D309 WeakPolarHBondContact CB-OD1 3.12Å; S307-D309 PolarHBondContact O-N 2.88Å; S307-D309 PolarHBondContact OG-N 2.8Å; S307-D309 PolarHBondContact OG-OD1 2.93Å; S307-D309 PolarHBondContact OG-OD2 2.85Å; S307-K310 PolarHBondContact O-N 3.31Å; S307-T311 PolarHBondContact N-O 3.08Å; S307-F340 CarbonylContact C-O 3.47Å; S307-F340 PolarHBondContact O-N 2.97Å |
| 308 | M | 94.6 | Very high | 95 | Very high | 28 Ų | 28 | 26.2 Ų | 26.2 | 14% | 0.138 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -8.7 | 172.6 | -74.1 | -63.9 | -68 | 0 | 0 | 113.8 | N280 W281 Y283 K310 L338 G339 Y341 F357 | N280-M308 HydrophobicContact CB-CB 4.19Å; W281-M308 HydrophobicContact CB-CB 4.49Å; W281-M308 HydrophobicContact CB-CG 4.38Å; W281-M308 PolarHBondContact O-N 2.97Å; Y283-M308 HydrophobicContact CD2-CG 3.53Å; Y283-M308 HydrophobicContact CD2-SD 4.39Å; Y283-M308 HydrophobicContact CE2-CG 3.29Å; Y283-M308 HydrophobicContact CE2-SD 4.18Å; M308-K310 PolarHBondContact O-N 3.24Å; M308-L338 HydrophobicContact CE-CB 3.91Å; M308-L338 HydrophobicContact CE-CD1 4.45Å; M308-L338 HydrophobicContact CE-CD2 4.19Å; M308-L338 HydrophobicContact CE-CG 4.41Å; M308-G339 WeakPolarHBondContact O-CA 3.12Å; M308-G339 PolarHBondContact O-N 3.19Å; M308-Y341 HydrophobicContact SD-CE1 4.43Å; M308-F357 HydrophobicContact CE-CD2 4.33Å |
| 309 | D | 93.4 | Very high | 94.9 | Very high | 32 Ų | 32 | 31 Ų | 31 | 17% | 0.171 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 5.3 | 170.6 | 63.4 | 21.4 | 0 | 0 | 0 | 113.9 | H278 E279 N280 S307 T311 | H278-D309 VanDerWaalsContact CA-OD2 3.26Å; H278-D309 WeakPolarHBondContact CA-OD2 3.14Å; H278-D309 VanDerWaalsContact CB-OD2 3.32Å; H278-D309 WeakPolarHBondContact CB-OD2 3.26Å; H278-D309 IonicContact CG-OD2 2.74Å; H278-D309 IonicContact ND1-OD1 3.76Å; H278-D309 IonicContact ND1-OD2 2.62Å; H278-D309 PolarHBondContact ND1-OD2 3.33Å; E279-D309 HydrophobicContact CB-CB 4.4Å; E279-D309 PolarHBondContact N-OD2 3.26Å; N280-D309 HydrophobicContact CB-CB 3.89Å; S307-D309 VanDerWaalsContact CB-OD1 3.23Å; S307-D309 WeakPolarHBondContact CB-OD1 3.12Å; S307-D309 PolarHBondContact O-N 2.88Å; S307-D309 PolarHBondContact OG-N 2.8Å; S307-D309 PolarHBondContact OG-OD1 2.93Å; S307-D309 PolarHBondContact OG-OD2 2.85Å; D309-T311 VanDerWaalsContact C-N 3.3Å; D309-T311 VanDerWaalsContact CG-OG1 3.25Å; D309-T311 PolarHBondContact O-N 3.17Å; D309-T311 WeakPolarHBondContact OD1-CA 3.33Å; D309-T311 WeakPolarHBondContact OD1-CB 3.26Å; D309-T311 PolarHBondContact OD1-N 2.83Å; D309-T311 PolarHBondContact OD1-OG1 2.85Å; D309-T311 PolarHBondContact OD2-OG1 2.91Å |
| 310 | K | 93.5 | Very high | 94.7 | Very high | 34 Ų | 34 | 34.1 Ų | 34.1 | 15% | 0.148 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 70.4 | 19 | -178.1 | -39.7 | -177.2 | -171.1 | -159.2 | 0 | 114.7 | S307 M308 G331 E332 G334 G335 T337 F340 | S307-K310 PolarHBondContact O-N 3.31Å; M308-K310 PolarHBondContact O-N 3.24Å; K310-G331 WeakPolarHBondContact O-CA 3.02Å; K310-E332 HydrophobicContact CB-CB 4.32Å; K310-E332 HydrophobicContact CD-CB 4.32Å; K310-E332 PolarHBondContact O-N 2.96Å; K310-E332 VanDerWaalsContact O-N 3.12Å; K310-G334 PolarHBondContact NZ-O 3.31Å; K310-G335 PolarHBondContact NZ-O 2.77Å; K310-T337 WeakPolarHBondContact CE-O 3.02Å; K310-T337 PolarHBondContact NZ-O 3.23Å; K310-T337 PolarHBondContact NZ-OG1 3.23Å; K310-F340 VanDerWaalsContact C-CE2 3.4Å; K310-F340 WeakPolarHBondContact O-CE2 3.23Å |
| 311 | T | 95.1 | Very high | 94.6 | Very high | 22 Ų | 22 | 35.9 Ų | 35.9 | 14% | 0.135 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 151.8 | 178 | 72.9 | 0 | 0 | 0 | 0 | 112.5 | H278 S307 D309 R329 V330 | H278-T311 PolarHBondContact CE1-OG1 3.05Å; H278-T311 VanDerWaalsContact CE1-OG1 3.27Å; H278-T311 PolarHBondContact ND1-OG1 3.12Å; H278-T311 VanDerWaalsContact ND1-OG1 3.1Å; S307-T311 PolarHBondContact N-O 3.08Å; D309-T311 VanDerWaalsContact C-N 3.3Å; D309-T311 VanDerWaalsContact CG-OG1 3.25Å; D309-T311 PolarHBondContact O-N 3.17Å; D309-T311 WeakPolarHBondContact OD1-CA 3.33Å; D309-T311 WeakPolarHBondContact OD1-CB 3.26Å; D309-T311 PolarHBondContact OD1-N 2.83Å; D309-T311 PolarHBondContact OD1-OG1 2.85Å; D309-T311 PolarHBondContact OD2-OG1 2.91Å; T311-R329 HydrophobicContact CG2-CG 4.42Å; T311-V330 CarbonylContact C-O 3.53Å; T311-V330 WeakPolarHBondContact CA-O 3.48Å |
| 312 | M | 96.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 138.7 | 163.9 | -72.2 | -179.8 | 54.9 | 0 | 0 | 109.2 | L304 S305 A306 R329 V330 F340 C343 I352 A354 W364 | L304-M312 HydrophobicContact CD1-CE 3.59Å; L304-M312 HydrophobicContact CD2-CE 3.51Å; L304-M312 HydrophobicContact CG-CE 3.7Å; S305-M312 WeakPolarHBondContact O-CA 3.45Å; S305-M312 WeakPolarHBondContact O-CB 3.36Å; A306-M312 HydrophobicContact CB-CG 4.03Å; M312-R329 WeakPolarHBondContact O-CA 3.44Å; M312-V330 HydrophobicContact CB-CG2 3.94Å; M312-V330 PolarHBondContact N-O 2.92Å; M312-V330 PolarHBondContact O-N 3.44Å; M312-F340 HydrophobicContact CG-CD2 3.82Å; M312-F340 HydrophobicContact CG-CE2 4.12Å; M312-C343 HydrophobicContact CE-CB 3.38Å; M312-C343 HydrophobicContact SD-CB 4.16Å; M312-I352 HydrophobicContact CE-CB 4.18Å; M312-I352 HydrophobicContact CE-CD1 4.42Å; M312-A354 HydrophobicContact CG-CB 4.37Å; M312-A354 HydrophobicContact SD-CB 3.22Å; M312-A354 WeakPolarHBondContact SD-CB 3.32Å; M312-W364 HydrophobicContact SD-CH2 4.43Å; M312-W364 HydrophobicContact SD-CZ3 3.84Å |
| 313 | I | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132.5 | -178.1 | -58.4 | 171.8 | 0 | 0 | 0 | 109.6 | L304 S305 W315 E326 V328 R329 | L304-I313 WeakPolarHBondContact CA-O 3.14Å; S305-I313 PolarHBondContact N-O 3.37Å; S305-I313 PolarHBondContact O-N 3.05Å; S305-I313 VanDerWaalsContact O-N 3.13Å; S305-I313 PolarHBondContact OG-O 3.06Å; I313-W315 HydrophobicContact CB-CZ2 4.07Å; I313-W315 HydrophobicContact CD1-CH2 4.41Å; I313-W315 HydrophobicContact CD1-CZ2 3.78Å; I313-W315 HydrophobicContact CG2-CD2 3.81Å; I313-W315 HydrophobicContact CG2-CE3 4.41Å; I313-W315 HydrophobicContact CG2-CG 4.2Å; I313-W315 HydrophobicContact CG2-CH2 4.27Å; I313-W315 HydrophobicContact CG2-CZ2 3.65Å; I313-E326 HydrophobicContact CG2-CB 4.11Å; I313-E326 HydrophobicContact CG2-CG 3.76Å; I313-V328 CarbonylContact C-O 3.59Å; I313-V328 WeakPolarHBondContact CA-O 3.35Å; I313-R329 HydrophobicContact CG1-CB 4.32Å; I313-R329 HydrophobicContact CG1-CG 4.14Å |
| 314 | I | 97.2 | Very high | 94.1 | Very high | 13 Ų | 13 | 38 Ų | 38 | 7% | 0.067 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 122.7 | 166.4 | -60.2 | 178.9 | 0 | 0 | 0 | 108 | I302 L304 Q327 V328 I352 W374 | I302-I314 HydrophobicContact CG2-CG2 3.62Å; L304-I314 HydrophobicContact CD1-CG1 3.7Å; I314-Q327 HydrophobicContact CG2-CB 4.33Å; I314-Q327 WeakPolarHBondContact O-CB 3.17Å; I314-Q327 PolarHBondContact O-N 3.27Å; I314-V328 HydrophobicContact CB-CB 4.09Å; I314-V328 HydrophobicContact CD1-CB 4.07Å; I314-V328 HydrophobicContact CD1-CG1 4.45Å; I314-V328 HydrophobicContact CD1-CG2 4.31Å; I314-V328 HydrophobicContact CG1-CB 4.23Å; I314-V328 PolarHBondContact N-O 3.19Å; I314-I352 HydrophobicContact CD1-CD1 4.35Å; I314-I352 HydrophobicContact CD1-CG2 4.3Å; I314-W374 HydrophobicContact CD1-CH2 4.03Å; I314-W374 HydrophobicContact CD1-CZ2 3.45Å; I314-W374 VanDerWaalsContact CD1-CZ2 3.45Å |
| 315 | W | 97.6 | Very high | 94 | Very high | 11 Ų | 11 | 40.3 Ų | 40.3 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 135.4 | 177.1 | -53 | 89.7 | 0 | 0 | 0 | 109.8 | L275 I302 L303 S305 I313 W324 V325 E326 | L275-W315 HydrophobicContact CB-CD2 4.15Å; L275-W315 HydrophobicContact CB-CE3 4.08Å; L275-W315 HydrophobicContact CB-CH2 4.16Å; L275-W315 HydrophobicContact CB-CZ2 4.22Å; L275-W315 HydrophobicContact CB-CZ3 4.09Å; L275-W315 HydrophobicContact CD1-CB 4Å; L275-W315 HydrophobicContact CD1-CD2 3.84Å; L275-W315 HydrophobicContact CD1-CE3 4.26Å; L275-W315 HydrophobicContact CD1-CG 3.73Å; L275-W315 HydrophobicContact CD2-CE3 4.14Å; L275-W315 HydrophobicContact CG-CD2 4.41Å; L275-W315 HydrophobicContact CG-CE3 4.39Å; I302-W315 WeakPolarHBondContact CA-O 3.42Å; L303-W315 HydrophobicContact CB-CB 4.31Å; L303-W315 PolarHBondContact N-O 2.95Å; L303-W315 PolarHBondContact O-N 3.06Å; S305-W315 PolarHBondContact OG-NE1 3.42Å; I313-W315 HydrophobicContact CB-CZ2 4.07Å; I313-W315 HydrophobicContact CD1-CH2 4.41Å; I313-W315 HydrophobicContact CD1-CZ2 3.78Å; I313-W315 HydrophobicContact CG2-CD2 3.81Å; I313-W315 HydrophobicContact CG2-CE3 4.41Å; I313-W315 HydrophobicContact CG2-CG 4.2Å; I313-W315 HydrophobicContact CG2-CH2 4.27Å; I313-W315 HydrophobicContact CG2-CZ2 3.65Å; W315-W324 HydrophobicContact CB-CE3 3.92Å; W315-W324 HydrophobicContact CB-CZ3 4.18Å; W315-V325 WeakPolarHBondContact CA-O 3.44Å; W315-E326 HydrophobicContact CE3-CB 4.44Å; W315-E326 HydrophobicContact CZ3-CB 4.18Å |
| 316 | A | 95.7 | Very high | 93.8 | Very high | 14 Ų | 14 | 44 Ų | 44 | 12% | 0.116 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 151.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | I302 E318 V325 Q327 | I302-A316 HydrophobicContact CG1-CB 4.19Å; A316-E318 PolarHBondContact O-N 3.13Å; A316-V325 PolarHBondContact N-O 3.01Å; A316-V325 PolarHBondContact O-N 3.01Å; A316-Q327 HydrophobicContact CB-CG 3.68Å |
| 317 | P | 94.7 | Very high | 93.6 | Very high | 37 Ų | 37 | 48.7 Ų | 48.7 | 24% | 0.24 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 132.4 | 170.7 | 28 | -32.4 | 0 | 0 | 0 | 110.1 | L301 V323 | L301-P317 HydrophobicContact CB-CG 3.93Å; L301-P317 HydrophobicContact CD1-CG 4.13Å; L301-P317 WeakPolarHBondContact O-CD 3.4Å; P317-V323 CarbonylContact C-O 3.52Å; P317-V323 WeakPolarHBondContact CA-O 3.49Å |
| 318 | E | 92.8 | Very high | 93.5 | Very high | 101 Ų | 101 | 49.9 Ų | 49.9 | 47% | 0.472 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 137.9 | 174.8 | -179.5 | -171.9 | -141.3 | 0 | 0 | 110.7 | A316 G320 S321 G322 V323 V325 | A316-E318 PolarHBondContact O-N 3.13Å; E318-G320 PolarHBondContact O-N 2.92Å; E318-S321 PolarHBondContact OE2-OG 3.45Å; E318-G322 PolarHBondContact O-N 3.2Å; E318-V323 PolarHBondContact N-O 3.4Å; E318-V325 HydrophobicContact CB-CG1 4.45Å; E318-V325 HydrophobicContact CB-CG2 4.11Å |
| 319 | E | 86.3 | Confident | 93.5 | Very high | 193 Ų | 193 | 53.3 Ų | 53.3 | 90% | 0.902 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 125.6 | 176.4 | -69.3 | -172.6 | 177.6 | 0 | 0 | 110.9 | S321 | E319-S321 PolarHBondContact O-N 2.78Š|
| 320 | G | 86.4 | Confident | 93.6 | Very high | 90 Ų | 90 | 52.6 Ų | 52.6 | 93% | 0.928 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.2 | -46.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E318 | E318-G320 PolarHBondContact O-N 2.92Š|
| 321 | S | 89.3 | Confident | 93.5 | Very high | 63 Ų | 63 | 52.4 Ų | 52.4 | 44% | 0.441 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -29.7 | 179.6 | 74.7 | 0 | 0 | 0 | 0 | 113 | E318 E319 V323 | E318-S321 PolarHBondContact OE2-OG 3.45Å; E319-S321 PolarHBondContact O-N 2.78Å; S321-V323 PolarHBondContact O-N 3.38Å; S321-V323 PolarHBondContact OG-N 2.85Å |
| 322 | G | 87.4 | Confident | 93 | Very high | 47 Ų | 47 | 52.4 Ų | 52.4 | 49% | 0.485 | 31% | 0.308 | S | S | . | . | trans | 70.7 | 3.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E318 | E318-G322 PolarHBondContact O-N 3.2Š| ||
| 323 | V | 92.3 | Very high | 91.8 | Very high | 86 Ų | 86 | 59 Ų | 59 | 52% | 0.521 | 35% | 0.348 | S | S | . | . | trans | -76.9 | 132.8 | 179 | 178.9 | 0 | 0 | 0 | 0 | 109.3 | P317 E318 S321 V325 | P317-V323 CarbonylContact C-O 3.52Å; P317-V323 WeakPolarHBondContact CA-O 3.49Å; E318-V323 PolarHBondContact N-O 3.4Å; S321-V323 PolarHBondContact O-N 3.38Å; S321-V323 PolarHBondContact OG-N 2.85Å; V323-V325 HydrophobicContact CG1-CG1 4.5Å; V323-V325 PolarHBondContact O-N 3.48Å | ||
| 324 | W | 95.8 | Very high | 90.2 | Very high | 26 Ų | 26 | 61.2 Ų | 61.2 | 10% | 0.098 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 124.8 | 176 | -72.9 | 78.5 | 0 | 0 | 0 | 111.2 | T273 L275 W287 L301 L303 W315 | T273-W324 HydrophobicContact CG2-CB 4.39Å; T273-W324 VanDerWaalsContact CG2-CD1 3.47Å; T273-W324 HydrophobicContact CG2-CD2 4.15Å; T273-W324 HydrophobicContact CG2-CG 3.74Å; L275-W324 HydrophobicContact CD1-CE3 4.5Å; L275-W324 HydrophobicContact CD2-CB 3.41Å; L275-W324 VanDerWaalsContact CD2-CB 3.41Å; L275-W324 HydrophobicContact CD2-CD2 4.32Å; L275-W324 HydrophobicContact CD2-CE3 4.42Å; L275-W324 HydrophobicContact CD2-CG 3.93Å; W287-W324 HydrophobicContact CH2-CH2 4.06Å; W287-W324 HydrophobicContact CH2-CZ2 4.49Å; W287-W324 AromaticContact CZ3-CH2 3.75Å; W287-W324 HydrophobicContact CZ3-CH2 3.75Å; W287-W324 HydrophobicContact CZ3-CZ3 4.47Å; L301-W324 HydrophobicContact CB-CH2 4.11Å; L301-W324 HydrophobicContact CB-CZ2 4.35Å; L301-W324 WeakPolarHBondContact O-CH2 3.45Å; L303-W324 HydrophobicContact CB-CZ3 4.11Å; W315-W324 HydrophobicContact CB-CE3 3.92Å; W315-W324 HydrophobicContact CB-CZ3 4.18Å |
| 325 | V | 95.4 | Very high | 88.6 | Confident | 48 Ų | 48 | 62.4 Ų | 62.4 | 29% | 0.291 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 158.5 | 177.8 | -58.7 | 0 | 0 | 0 | 0 | 111.3 | W315 A316 E318 V323 Q327 | W315-V325 WeakPolarHBondContact CA-O 3.44Å; A316-V325 PolarHBondContact N-O 3.01Å; A316-V325 PolarHBondContact O-N 3.01Å; E318-V325 HydrophobicContact CB-CG1 4.45Å; E318-V325 HydrophobicContact CB-CG2 4.11Å; V323-V325 HydrophobicContact CG1-CG1 4.5Å; V323-V325 PolarHBondContact O-N 3.48Å; V325-Q327 PolarHBondContact O-N 3.44Å |
| 326 | E | 95.1 | Very high | 87.1 | Confident | 79 Ų | 79 | 70 Ų | 70 | 37% | 0.369 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 117.1 | 168.4 | 167.5 | 172.6 | 165.4 | 0 | 0 | 109.3 | I313 W315 R329 | I313-E326 HydrophobicContact CG2-CB 4.11Å; I313-E326 HydrophobicContact CG2-CG 3.76Å; W315-E326 HydrophobicContact CE3-CB 4.44Å; W315-E326 HydrophobicContact CZ3-CB 4.18Å; E326-R329 WeakPolarHBondContact OE1-CB 3.47Å; E326-R329 IonicContact OE1-CZ 3.25Å; E326-R329 IonicContact OE1-NE 3.16Å; E326-R329 PolarHBondContact OE1-NE 2.75Å; E326-R329 IonicContact OE1-NH2 2.97Å; E326-R329 IonicContact OE2-CZ 2.93Å; E326-R329 IonicContact OE2-NE 3.66Å; E326-R329 PolarHBondContact OE2-NE 2.9Å; E326-R329 IonicContact OE2-NH2 3.01Å; E326-R329 PolarHBondContact OE2-NH2 3.29Å |
| 327 | Q | 93.3 | Very high | 86.1 | Confident | 97 Ų | 97 | 70.6 Ų | 70.6 | 45% | 0.453 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | -42.8 | 177.3 | -63 | -65 | -32.8 | 0 | 0 | 111.2 | I314 A316 V325 | I314-Q327 HydrophobicContact CG2-CB 4.33Å; I314-Q327 WeakPolarHBondContact O-CB 3.17Å; I314-Q327 PolarHBondContact O-N 3.27Å; A316-Q327 HydrophobicContact CB-CG 3.68Å; V325-Q327 PolarHBondContact O-N 3.44Å |
| 328 | V | 94.6 | Very high | 85.7 | Confident | 25 Ų | 25 | 72.5 Ų | 72.5 | 15% | 0.152 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 136 | -172.8 | 179.3 | 0 | 0 | 0 | 0 | 108.8 | I313 I314 V330 W374 | I313-V328 CarbonylContact C-O 3.59Å; I313-V328 WeakPolarHBondContact CA-O 3.35Å; I314-V328 HydrophobicContact CB-CB 4.09Å; I314-V328 HydrophobicContact CD1-CB 4.07Å; I314-V328 HydrophobicContact CD1-CG1 4.45Å; I314-V328 HydrophobicContact CD1-CG2 4.31Å; I314-V328 HydrophobicContact CG1-CB 4.23Å; I314-V328 PolarHBondContact N-O 3.19Å; V328-V330 HydrophobicContact CG1-CG1 3.98Å; V328-W374 VanDerWaalsContact CG1-CD1 3.42Å; V328-W374 HydrophobicContact CG1-CG 4.02Å |
| 329 | R | 94.9 | Very high | 85.7 | Confident | 100 Ų | 100 | 67.7 Ų | 67.7 | 38% | 0.377 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 125.4 | 167.1 | 179.1 | -174.4 | -61.1 | -134.2 | -2.3 | 110.1 | G277 T311 M312 I313 E326 | G277-R329 PolarHBondContact O-NH1 3.27Å; G277-R329 PolarHBondContact O-NH2 3.1Å; T311-R329 HydrophobicContact CG2-CG 4.42Å; M312-R329 WeakPolarHBondContact O-CA 3.44Å; I313-R329 HydrophobicContact CG1-CB 4.32Å; I313-R329 HydrophobicContact CG1-CG 4.14Å; E326-R329 WeakPolarHBondContact OE1-CB 3.47Å; E326-R329 IonicContact OE1-CZ 3.25Å; E326-R329 IonicContact OE1-NE 3.16Å; E326-R329 PolarHBondContact OE1-NE 2.75Å; E326-R329 IonicContact OE1-NH2 2.97Å; E326-R329 IonicContact OE2-CZ 2.93Å; E326-R329 IonicContact OE2-NE 3.66Å; E326-R329 PolarHBondContact OE2-NE 2.9Å; E326-R329 IonicContact OE2-NH2 3.01Å; E326-R329 PolarHBondContact OE2-NH2 3.29Å |
| 330 | V | 94.3 | Very high | 86.1 | Confident | 18 Ų | 18 | 58.5 Ų | 58.5 | 11% | 0.109 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 163.7 | 172.8 | -60.1 | 0 | 0 | 0 | 0 | 109.3 | T311 M312 V328 I352 W364 W374 | T311-V330 CarbonylContact C-O 3.53Å; T311-V330 WeakPolarHBondContact CA-O 3.48Å; M312-V330 HydrophobicContact CB-CG2 3.94Å; M312-V330 PolarHBondContact N-O 2.92Å; M312-V330 PolarHBondContact O-N 3.44Å; V328-V330 HydrophobicContact CG1-CG1 3.98Å; V330-I352 HydrophobicContact CG2-CD1 3.65Å; V330-W364 HydrophobicContact CB-CD2 4.22Å; V330-W364 HydrophobicContact CB-CG 4.32Å; V330-W364 HydrophobicContact CB-CZ2 4.36Å; V330-W364 HydrophobicContact CG1-CG 4.36Å; V330-W364 HydrophobicContact CG2-CD2 3.8Å; V330-W364 HydrophobicContact CG2-CE3 4.09Å; V330-W364 HydrophobicContact CG2-CG 4.19Å; V330-W364 HydrophobicContact CG2-CH2 4.38Å; V330-W364 HydrophobicContact CG2-CZ2 4.16Å; V330-W364 HydrophobicContact CG2-CZ3 4.36Å; V330-W374 HydrophobicContact CG1-CB 4.02Å |
| 331 | G | 91.1 | Very high | 86.4 | Confident | 29 Ų | 29 | 55.7 Ų | 55.7 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 166 | -166.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K310 | K310-G331 WeakPolarHBondContact O-CA 3.02Å |
| 332 | E | 84.6 | Confident | 86.6 | Confident | 23 Ų | 23 | 52.8 Ų | 52.8 | 11% | 0.107 | 32% | 0.315 | C | S | . | . | trans | -96.9 | 141.9 | 171.8 | -59.2 | -171.9 | 141.2 | 0 | 0 | 110.3 | K310 T337 F340 H362 | K310-E332 HydrophobicContact CB-CB 4.32Å; K310-E332 HydrophobicContact CD-CB 4.32Å; K310-E332 PolarHBondContact O-N 2.96Å; K310-E332 VanDerWaalsContact O-N 3.12Å; E332-T337 PolarHBondContact OE2-OG1 3.2Å; E332-F340 HydrophobicContact CG-CZ 4.23Å; E332-H362 IonicContact OE1-CE1 3.07Å; E332-H362 PolarHBondContact OE1-CE1 3.02Å; E332-H362 IonicContact OE1-ND1 2.71Å; E332-H362 IonicContact OE1-NE2 3.72Å | ||
| 333 | V | 72.7 | Confident | 87 | Confident | 139 Ų | 139 | 50.9 Ų | 50.9 | 84% | 0.842 | 29% | 0.294 | S | S | * | . | trans | -108.4 | 120.7 | 173 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 334 | G | 63.8 | Low | 87.2 | Confident | 46 Ų | 46 | 48 Ų | 48 | 47% | 0.474 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 74.6 | -161.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | K310 | K310-G334 PolarHBondContact NZ-O 3.31Š|
| 335 | G | 62.8 | Low | 87.1 | Confident | 39 Ų | 39 | 47 Ų | 47 | 40% | 0.402 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 78.4 | 159.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | K310 T337 | K310-G335 PolarHBondContact NZ-O 2.77Å; G335-T337 PolarHBondContact O-N 3.01Å |
| 336 | N | 65.3 | Low | 87.1 | Confident | 171 Ų | 171 | 44.9 Ų | 44.9 | 91% | 0.914 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -88.5 | 20.6 | -179.7 | -160.5 | 13.3 | 0 | 0 | 0 | 113.3 | ||
| 337 | T | 76.1 | Confident | 86.9 | Confident | 26 Ų | 26 | 42.6 Ų | 42.6 | 16% | 0.16 | 25% | 0.25 | C | S | . | . | trans | -80.6 | 154.5 | 175.5 | 49.4 | 0 | 0 | 0 | 0 | 111.5 | K310 E332 G335 L549 | K310-T337 WeakPolarHBondContact CE-O 3.02Å; K310-T337 PolarHBondContact NZ-O 3.23Å; K310-T337 PolarHBondContact NZ-OG1 3.23Å; E332-T337 PolarHBondContact OE2-OG1 3.2Å; G335-T337 PolarHBondContact O-N 3.01Å; T337-L549 HydrophobicContact CG2-CD1 3.48Å; T337-L549 VanDerWaalsContact CG2-CD1 3.48Å; T337-L549 HydrophobicContact CG2-CD2 4.42Å | ||
| 338 | L | 85.8 | Confident | 86.7 | Confident | 77 Ų | 77 | 42.7 Ų | 42.7 | 40% | 0.403 | 25% | 0.254 | S | S | . | . | trans | -87.8 | 164.8 | 164.8 | -70.6 | 171.3 | 0 | 0 | 0 | 109.5 | M308 F357 | M308-L338 HydrophobicContact CE-CB 3.91Å; M308-L338 HydrophobicContact CE-CD1 4.45Å; M308-L338 HydrophobicContact CE-CD2 4.19Å; M308-L338 HydrophobicContact CE-CG 4.41Å; L338-F357 HydrophobicContact CB-CB 3.56Å; L338-F357 HydrophobicContact CB-CD1 4.22Å; L338-F357 HydrophobicContact CB-CD2 4.31Å; L338-F357 HydrophobicContact CB-CG 3.79Å; L338-F357 HydrophobicContact CD1-CB 4.3Å; L338-F357 HydrophobicContact CD1-CD1 3.52Å; L338-F357 HydrophobicContact CD1-CD2 3.64Å; L338-F357 HydrophobicContact CD1-CE1 3.62Å; L338-F357 HydrophobicContact CD1-CE2 3.73Å; L338-F357 HydrophobicContact CD1-CG 3.54Å; L338-F357 HydrophobicContact CD1-CZ 3.73Å; L338-F357 HydrophobicContact CG-CD1 4.4Å; L338-F357 HydrophobicContact CG-CG 4.3Å | ||
| 339 | G | 91.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.253 | C | S | . | . | trans | -76.8 | -156.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | M308 F357 | M308-G339 WeakPolarHBondContact O-CA 3.12Å; M308-G339 PolarHBondContact O-N 3.19Å; G339-F357 PolarHBondContact O-N 3.27Å | ||
| 340 | F | 95 | Very high | 86.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 136.9 | -169.4 | -57 | -53.4 | 0 | 0 | 0 | 112.6 | A306 S307 K310 M312 E332 A354 H355 A356 H362 W364 | A306-F340 HydrophobicContact CB-CB 3.94Å; S307-F340 CarbonylContact C-O 3.47Å; S307-F340 PolarHBondContact O-N 2.97Å; K310-F340 VanDerWaalsContact C-CE2 3.4Å; K310-F340 WeakPolarHBondContact O-CE2 3.23Å; M312-F340 HydrophobicContact CG-CD2 3.82Å; M312-F340 HydrophobicContact CG-CE2 4.12Å; E332-F340 HydrophobicContact CG-CZ 4.23Å; F340-A354 HydrophobicContact CB-CB 4.38Å; F340-A354 HydrophobicContact CD1-CB 3.47Å; F340-A354 VanDerWaalsContact CD1-CB 3.47Å; F340-A354 HydrophobicContact CD2-CB 4.2Å; F340-A354 HydrophobicContact CE1-CB 3.69Å; F340-A354 HydrophobicContact CE2-CB 4.35Å; F340-A354 HydrophobicContact CG-CB 3.76Å; F340-A354 HydrophobicContact CZ-CB 4.13Å; F340-H355 WeakPolarHBondContact CA-O 3.36Å; F340-A356 HydrophobicContact CD1-CB 4.09Å; F340-A356 HydrophobicContact CE1-CB 4.31Å; F340-H362 AromaticContact CE1-CD2 3.66Å; F340-H362 AromaticContact CE1-CG 3.95Å; F340-H362 AromaticContact CE1-NE2 3.94Å; F340-W364 HydrophobicContact CE2-CH2 4.32Å; F340-W364 AromaticContact CZ-CH2 3.86Å; F340-W364 HydrophobicContact CZ-CH2 3.86Å |
| 341 | Y | 92.7 | Very high | 86.4 | Confident | 30 Ų | 30 | 39.2 Ų | 39.2 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | -14.4 | 174.9 | -88.1 | -46.3 | 0 | 0 | 0 | 113.4 | R17 P19 Y283 M308 H355 F357 | R17-Y341 HydrophobicContact CB-CE2 4.02Å; P19-Y341 WeakPolarHBondContact CB-O 3.36Å; P19-Y341 HydrophobicContact CG-CD1 4.21Å; Y283-Y341 VanDerWaalsContact CB-O 3.26Å; Y283-Y341 WeakPolarHBondContact CB-O 3.47Å; Y283-Y341 AromaticContact CD1-CD1 3.58Å; Y283-Y341 HydrophobicContact CD1-CD1 3.58Å; Y283-Y341 HydrophobicContact CD1-CE1 4.01Å; Y283-Y341 AromaticContact CE1-CD1 3.61Å; Y283-Y341 HydrophobicContact CE1-CD1 3.61Å; Y283-Y341 AromaticContact CE1-CE1 3.52Å; Y283-Y341 HydrophobicContact CE1-CE1 3.52Å; Y283-Y341 HydrophobicContact CG-CD1 4.04Å; Y283-Y341 AromaticContact CZ-CE1 3.94Å; M308-Y341 HydrophobicContact SD-CE1 4.43Å; Y341-H355 WeakPolarHBondContact CB-NE2 3.45Å; Y341-H355 PolarHBondContact N-O 3.4Å; Y341-F357 HydrophobicContact CD2-CB 4.45Å; Y341-F357 HydrophobicContact CD2-CD2 4.42Å; Y341-F357 HydrophobicContact CE1-CD2 4.36Å; Y341-F357 HydrophobicContact CE2-CB 4.14Å; Y341-F357 AromaticContact CE2-CD2 3.4Å; Y341-F357 HydrophobicContact CE2-CD2 3.4Å; Y341-F357 VanDerWaalsContact CE2-CD2 3.4Å; Y341-F357 HydrophobicContact CE2-CE2 4.06Å; Y341-F357 AromaticContact CE2-CG 3.99Å; Y341-F357 HydrophobicContact CE2-CG 3.99Å; Y341-F357 AromaticContact CZ-CD2 3.38Å; Y341-F357 AromaticContact CZ-CE2 3.79Å; Y341-F357 WeakPolarHBondContact OH-CD2 3.42Å; Y341-F357 WeakPolarHBondContact OH-CE2 3.42Å |
| 342 | G | 93.1 | Very high | 86.7 | Confident | 3 Ų | 3 | 37.9 Ų | 37.9 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.6 | 171.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | H355 | G342-H355 WeakPolarHBondContact CA-CE1 3.41Å; G342-H355 WeakPolarHBondContact CA-ND1 3.32Å; G342-H355 PolarHBondContact N-CE1 3.22Å; G342-H355 PolarHBondContact N-ND1 2.79Å; G342-H355 PolarHBondContact O-N 3.15Å; G342-H355 PolarHBondContact O-ND1 3.39Å |
| 343 | C | 96.1 | Very high | 87.3 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 154.8 | -171.3 | 53.2 | 0 | 0 | 0 | 0 | 112 | L304 A306 M312 L353 | L304-C343 HydrophobicContact CD2-CB 3.69Å; L304-C343 HydrophobicContact CG-CB 3.88Å; A306-C343 HydrophobicContact CB-CB 3.77Å; M312-C343 HydrophobicContact CE-CB 3.38Å; M312-C343 HydrophobicContact SD-CB 4.16Å; C343-L353 CarbonylContact C-O 3.52Å; C343-L353 WeakPolarHBondContact CA-O 3.14Å |
| 344 | Q | 96.4 | Very high | 88.4 | Confident | 24 Ų | 24 | 30.3 Ų | 30.3 | 11% | 0.112 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 154.7 | 170.8 | -66.6 | -68.6 | -74.5 | 0 | 0 | 109.6 | V22 W24 L353 | V22-Q344 HydrophobicContact CG1-CG 4.08Å; W24-Q344 HydrophobicContact CB-CB 3.94Å; W24-Q344 HydrophobicContact CB-CG 4.39Å; W24-Q344 HydrophobicContact CE3-CB 3.99Å; Q344-L353 PolarHBondContact N-O 2.94Å; Q344-L353 PolarHBondContact O-N 3.48Å |
| 345 | M | 95.3 | Very high | 89.9 | Confident | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.03 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 146.6 | 176.7 | -164.9 | -179.3 | -36.9 | 0 | 0 | 109.8 | Q288 I302 L304 I352 | Q288-M345 HydrophobicContact CB-CE 3.67Å; Q288-M345 HydrophobicContact CB-SD 3.54Å; Q288-M345 VanDerWaalsContact CB-SD 3.54Å; Q288-M345 HydrophobicContact CG-CE 4.37Å; Q288-M345 HydrophobicContact CG-SD 3.56Å; Q288-M345 VanDerWaalsContact CG-SD 3.56Å; I302-M345 HydrophobicContact CG2-CE 4.04Å; L304-M345 HydrophobicContact CB-CE 3.97Å; L304-M345 HydrophobicContact CD2-CB 4.34Å; M345-I352 HydrophobicContact CG-CG2 4.09Å |
| 346 | S | 94.6 | Very high | 91.3 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 3% | 0.028 | 15% | 0.15 | C | C | . | . | trans | -63.9 | 155.7 | 171.4 | 61 | 0 | 0 | 0 | 0 | 110.9 | D348 G349 S350 M351 | S346-D348 VanDerWaalsContact CB-OD1 3.28Å; S346-D348 WeakPolarHBondContact CB-OD1 3.32Å; S346-D348 PolarHBondContact O-N 2.55Å; S346-D348 VanDerWaalsContact O-N 3.12Å; S346-D348 PolarHBondContact OG-OD1 3.2Å; S346-G349 PolarHBondContact O-N 2.95Å; S346-G349 PolarHBondContact OG-N 3.05Å; S346-S350 PolarHBondContact OG-N 2.92Å; S346-S350 VanDerWaalsContact OG-N 3.12Å; S346-M351 PolarHBondContact N-O 3.06Å; S346-M351 PolarHBondContact OG-N 2.83Å; S346-M351 PolarHBondContact OG-O 3.27Å | ||
| 347 | P | 90.4 | Very high | 92.4 | Very high | 31 Ų | 31 | 20.5 Ų | 20.5 | 20% | 0.201 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -29.2 | -178.3 | -27.5 | 37 | 0 | 0 | 0 | 114.5 | G25 R26 V291 | G25-P347 WeakPolarHBondContact O-CG 3.41Å; R26-P347 WeakPolarHBondContact O-CG 3.46Å; V291-P347 WeakPolarHBondContact CG1-O 3.36Å |
| 348 | D | 89.2 | Confident | 93 | Very high | 98 Ų | 98 | 22 Ų | 22 | 52% | 0.524 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -2.6 | 178.8 | 64.8 | -9.5 | 0 | 0 | 0 | 113.7 | S346 S350 | S346-D348 VanDerWaalsContact CB-OD1 3.28Å; S346-D348 WeakPolarHBondContact CB-OD1 3.32Å; S346-D348 PolarHBondContact O-N 2.55Å; S346-D348 VanDerWaalsContact O-N 3.12Å; S346-D348 PolarHBondContact OG-OD1 3.2Å; D348-S350 PolarHBondContact O-N 3.34Å; D348-S350 WeakPolarHBondContact OD1-CB 3.26Å; D348-S350 PolarHBondContact OD1-N 3.46Å; D348-S350 PolarHBondContact OD1-OG 2.86Å; D348-S350 WeakPolarHBondContact OD2-CB 3.25Å; D348-S350 PolarHBondContact OD2-OG 2.97Å |
| 349 | G | 90.8 | Very high | 93.2 | Very high | 12 Ų | 12 | 18.4 Ų | 18.4 | 12% | 0.124 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 69.9 | 9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S346 | S346-G349 PolarHBondContact O-N 2.95Å; S346-G349 PolarHBondContact OG-N 3.05Å |
| 350 | S | 92.4 | Very high | 93.3 | Very high | 35 Ų | 35 | 18.8 Ų | 18.8 | 25% | 0.245 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -80.5 | -16.6 | -179.4 | 72.4 | 0 | 0 | 0 | 0 | 114 | S346 D348 K366 | S346-S350 PolarHBondContact OG-N 2.92Å; S346-S350 VanDerWaalsContact OG-N 3.12Å; D348-S350 PolarHBondContact O-N 3.34Å; D348-S350 WeakPolarHBondContact OD1-CB 3.26Å; D348-S350 PolarHBondContact OD1-N 3.46Å; D348-S350 PolarHBondContact OD1-OG 2.86Å; D348-S350 WeakPolarHBondContact OD2-CB 3.25Å; D348-S350 PolarHBondContact OD2-OG 2.97Å; S350-K366 WeakPolarHBondContact O-CB 3.07Å; S350-K366 PolarHBondContact O-N 2.87Å |
| 351 | M | 95.4 | Very high | 93.3 | Very high | 23 Ų | 23 | 19 Ų | 19 | 11% | 0.113 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 146.8 | -179.6 | -55.9 | -179.2 | -178.8 | 0 | 0 | 111.5 | W24 S346 L363 W364 | W24-M351 HydrophobicContact CH2-CB 3.71Å; W24-M351 HydrophobicContact CH2-SD 4.43Å; W24-M351 HydrophobicContact CZ2-CB 4.48Å; W24-M351 HydrophobicContact CZ3-CB 4.42Å; S346-M351 PolarHBondContact N-O 3.06Å; S346-M351 PolarHBondContact OG-N 2.83Å; S346-M351 PolarHBondContact OG-O 3.27Å; M351-L363 HydrophobicContact CB-CD1 4.11Å; M351-L363 HydrophobicContact SD-CD1 4.42Å; M351-W364 VanDerWaalsContact CA-O 3.27Å; M351-W364 WeakPolarHBondContact CA-O 3.31Å |
| 352 | I | 96.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 142.6 | 172.5 | 59.1 | -179.9 | 0 | 0 | 0 | 109.6 | L304 M312 I314 V330 M345 L363 W364 W374 | L304-I352 HydrophobicContact CD1-CG2 4.15Å; L304-I352 HydrophobicContact CD2-CB 4.08Å; L304-I352 HydrophobicContact CD2-CG2 3.87Å; M312-I352 HydrophobicContact CE-CB 4.18Å; M312-I352 HydrophobicContact CE-CD1 4.42Å; I314-I352 HydrophobicContact CD1-CD1 4.35Å; I314-I352 HydrophobicContact CD1-CG2 4.3Å; V330-I352 HydrophobicContact CG2-CD1 3.65Å; M345-I352 HydrophobicContact CG-CG2 4.09Å; I352-L363 WeakPolarHBondContact O-CA 3.46Å; I352-W364 HydrophobicContact CD1-CB 4.19Å; I352-W364 HydrophobicContact CD1-CE3 4.48Å; I352-W364 HydrophobicContact CG1-CB 3.77Å; I352-W364 HydrophobicContact CG1-CE3 4.12Å; I352-W364 HydrophobicContact CG1-CG 4.49Å; I352-W364 PolarHBondContact N-O 2.87Å; I352-W364 PolarHBondContact O-N 2.82Å; I352-W374 HydrophobicContact CB-CZ3 4.18Å; I352-W374 HydrophobicContact CD1-CD2 4.39Å; I352-W374 HydrophobicContact CD1-CE3 3.91Å; I352-W374 HydrophobicContact CD1-CZ3 4Å; I352-W374 HydrophobicContact CG1-CE3 3.86Å; I352-W374 HydrophobicContact CG1-CH2 4.4Å; I352-W374 HydrophobicContact CG1-CZ3 3.65Å; I352-W374 HydrophobicContact CG2-CH2 3.79Å; I352-W374 HydrophobicContact CG2-CZ3 3.83Å |
| 353 | L | 97.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129 | -177.1 | -175.8 | 81.9 | 0 | 0 | 0 | 109.9 | V22 W24 V30 C343 Q344 L361 H362 L363 V379 | V22-L353 HydrophobicContact CG1-CD2 3.83Å; W24-L353 HydrophobicContact CE3-CB 3.96Å; W24-L353 HydrophobicContact CE3-CD2 4.46Å; W24-L353 HydrophobicContact CZ3-CB 3.54Å; V30-L353 HydrophobicContact CG1-CD2 3.92Å; V30-L353 HydrophobicContact CG2-CD2 4.21Å; C343-L353 CarbonylContact C-O 3.52Å; C343-L353 WeakPolarHBondContact CA-O 3.14Å; Q344-L353 PolarHBondContact N-O 2.94Å; Q344-L353 PolarHBondContact O-N 3.48Å; L353-L361 HydrophobicContact CD1-CB 4.21Å; L353-H362 CarbonylContact C-O 3.56Å; L353-H362 WeakPolarHBondContact CA-O 3.37Å; L353-H362 WeakPolarHBondContact CD1-O 3.48Å; L353-L363 HydrophobicContact CB-CD1 4.49Å; L353-L363 HydrophobicContact CD1-CB 4.31Å; L353-L363 HydrophobicContact CD1-CD1 4.09Å; L353-V379 HydrophobicContact CD1-CG2 4.45Å |
| 354 | A | 96 | Very high | 93.5 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 2% | 0.017 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 156.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | M312 F340 L361 H362 W364 | M312-A354 HydrophobicContact CG-CB 4.37Å; M312-A354 HydrophobicContact SD-CB 3.22Å; M312-A354 WeakPolarHBondContact SD-CB 3.32Å; F340-A354 HydrophobicContact CB-CB 4.38Å; F340-A354 HydrophobicContact CD1-CB 3.47Å; F340-A354 VanDerWaalsContact CD1-CB 3.47Å; F340-A354 HydrophobicContact CD2-CB 4.2Å; F340-A354 HydrophobicContact CE1-CB 3.69Å; F340-A354 HydrophobicContact CE2-CB 4.35Å; F340-A354 HydrophobicContact CG-CB 3.76Å; F340-A354 HydrophobicContact CZ-CB 4.13Å; A354-L361 WeakPolarHBondContact O-CA 3.34Å; A354-H362 HydrophobicContact CB-CB 4.01Å; A354-H362 PolarHBondContact N-O 2.95Å; A354-H362 PolarHBondContact O-N 3.44Å; A354-W364 HydrophobicContact CB-CH2 4.19Å; A354-W364 HydrophobicContact CB-CZ3 3.87Å |
| 355 | H | 94.8 | Very high | 93.4 | Very high | 4 Ų | 4 | 18.6 Ų | 18.6 | 2% | 0.019 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 126.8 | 155.4 | 74.3 | -73.2 | 0 | 0 | 0 | 110.7 | A15 T18 P19 V22 F340 Y341 G342 A360 L361 | A15-H355 HydrophobicContact CB-CB 4.35Å; T18-H355 PolarHBondContact O-NE2 3.01Å; P19-H355 PolarHBondContact O-CE1 3.37Å; P19-H355 VanDerWaalsContact O-CE1 3.31Å; V22-H355 HydrophobicContact CG2-CB 3.95Å; F340-H355 WeakPolarHBondContact CA-O 3.36Å; Y341-H355 WeakPolarHBondContact CB-NE2 3.45Å; Y341-H355 PolarHBondContact N-O 3.4Å; G342-H355 WeakPolarHBondContact CA-CE1 3.41Å; G342-H355 WeakPolarHBondContact CA-ND1 3.32Å; G342-H355 PolarHBondContact N-CE1 3.22Å; G342-H355 PolarHBondContact N-ND1 2.79Å; G342-H355 PolarHBondContact O-N 3.15Å; G342-H355 PolarHBondContact O-ND1 3.39Å; H355-A360 WeakPolarHBondContact CA-O 3.29Å; H355-L361 HydrophobicContact CB-CD2 3.73Å |
| 356 | A | 92.9 | Very high | 93.3 | Very high | 6 Ų | 6 | 23.7 Ų | 23.7 | 5% | 0.05 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 165.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F340 H358 G359 A360 | F340-A356 HydrophobicContact CD1-CB 4.09Å; F340-A356 HydrophobicContact CE1-CB 4.31Å; A356-H358 PolarHBondContact O-N 2.93Å; A356-G359 PolarHBondContact O-N 2.92Å; A356-A360 HydrophobicContact CB-CB 4.28Å; A356-A360 PolarHBondContact N-O 2.87Å |
| 357 | F | 88.8 | Confident | 92.9 | Very high | 41 Ų | 41 | 24.7 Ų | 24.7 | 18% | 0.18 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -35.8 | 176 | 178.8 | -87.3 | 0 | 0 | 0 | 113.9 | R17 M308 L338 G339 Y341 G359 | R17-F357 WeakPolarHBondContact CD-O 3.32Å; R17-F357 WeakPolarHBondContact CG-O 3.29Å; M308-F357 HydrophobicContact CE-CD2 4.33Å; L338-F357 HydrophobicContact CB-CB 3.56Å; L338-F357 HydrophobicContact CB-CD1 4.22Å; L338-F357 HydrophobicContact CB-CD2 4.31Å; L338-F357 HydrophobicContact CB-CG 3.79Å; L338-F357 HydrophobicContact CD1-CB 4.3Å; L338-F357 HydrophobicContact CD1-CD1 3.52Å; L338-F357 HydrophobicContact CD1-CD2 3.64Å; L338-F357 HydrophobicContact CD1-CE1 3.62Å; L338-F357 HydrophobicContact CD1-CE2 3.73Å; L338-F357 HydrophobicContact CD1-CG 3.54Å; L338-F357 HydrophobicContact CD1-CZ 3.73Å; L338-F357 HydrophobicContact CG-CD1 4.4Å; L338-F357 HydrophobicContact CG-CG 4.3Å; G339-F357 PolarHBondContact O-N 3.27Å; Y341-F357 HydrophobicContact CD2-CB 4.45Å; Y341-F357 HydrophobicContact CD2-CD2 4.42Å; Y341-F357 HydrophobicContact CE1-CD2 4.36Å; Y341-F357 HydrophobicContact CE2-CB 4.14Å; Y341-F357 AromaticContact CE2-CD2 3.4Å; Y341-F357 HydrophobicContact CE2-CD2 3.4Å; Y341-F357 VanDerWaalsContact CE2-CD2 3.4Å; Y341-F357 HydrophobicContact CE2-CE2 4.06Å; Y341-F357 AromaticContact CE2-CG 3.99Å; Y341-F357 HydrophobicContact CE2-CG 3.99Å; Y341-F357 AromaticContact CZ-CD2 3.38Å; Y341-F357 AromaticContact CZ-CE2 3.79Å; Y341-F357 WeakPolarHBondContact OH-CD2 3.42Å; Y341-F357 WeakPolarHBondContact OH-CE2 3.42Å; F357-G359 PolarHBondContact O-N 2.8Å |
| 358 | H | 87.7 | Confident | 92.3 | Very high | 58 Ų | 58 | 32 Ų | 32 | 27% | 0.269 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 11.8 | 178.9 | -62.4 | 103.5 | 0 | 0 | 0 | 112.9 | A356 A360 F384 | A356-H358 PolarHBondContact O-N 2.93Å; H358-A360 VanDerWaalsContact C-N 3.25Å; H358-A360 PolarHBondContact O-N 3.26Å; H358-F384 HydrophobicContact CB-CD1 3.94Å; H358-F384 HydrophobicContact CB-CE1 3.77Å; H358-F384 HydrophobicContact CB-CZ 4.25Å; H358-F384 AromaticContact CD2-CE1 3.91Å; H358-F384 AromaticContact CD2-CZ 3.53Å; H358-F384 WeakPolarHBondContact O-CB 3.49Å; H358-F384 WeakPolarHBondContact O-CD1 3.39Å; H358-F384 WeakPolarHBondContact O-CG 3.39Å |
| 359 | G | 89.9 | Confident | 91.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | S | Bend | trans | 80.8 | -2.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | S14 A15 A356 F357 | S14-G359 WeakPolarHBondContact CB-O 3.12Å; A15-G359 PolarHBondContact N-O 2.92Å; A15-G359 WeakPolarHBondContact O-CA 3.49Å; A356-G359 PolarHBondContact O-N 2.92Å; F357-G359 PolarHBondContact O-N 2.8Å |
| 360 | A | 93.6 | Very high | 91 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 7% | 0.074 | 20% | 0.199 | C | C | . | . | trans | -62.8 | 140 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | H355 A356 H358 E545 | H355-A360 WeakPolarHBondContact CA-O 3.29Å; A356-A360 HydrophobicContact CB-CB 4.28Å; A356-A360 PolarHBondContact N-O 2.87Å; H358-A360 VanDerWaalsContact C-N 3.25Å; H358-A360 PolarHBondContact O-N 3.26Å; A360-E545 HydrophobicContact CB-CG 3.72Å | ||
| 361 | L | 95.5 | Very high | 90.1 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 141.2 | 172 | -64.8 | -177.7 | 0 | 0 | 0 | 108.5 | A15 V22 F32 L353 A354 H355 V379 I380 | A15-L361 HydrophobicContact CB-CD2 4.17Å; V22-L361 HydrophobicContact CG2-CD2 4.5Å; F32-L361 HydrophobicContact CD1-CD1 4.37Å; F32-L361 HydrophobicContact CE1-CD1 4.14Å; F32-L361 HydrophobicContact CZ-CD1 4.42Å; L353-L361 HydrophobicContact CD1-CB 4.21Å; A354-L361 WeakPolarHBondContact O-CA 3.34Å; H355-L361 HydrophobicContact CB-CD2 3.73Å; L361-V379 HydrophobicContact CB-CG2 3.61Å; L361-V379 HydrophobicContact CD1-CG2 4.34Å; L361-V379 WeakPolarHBondContact O-CG1 3.41Å; L361-I380 HydrophobicContact CD1-CD1 4.37Å; L361-I380 HydrophobicContact CD1-CG1 4.17Å |
| 362 | H | 95.5 | Very high | 89.1 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 6% | 0.056 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 127.2 | 174.2 | -63.7 | -107.6 | 0 | 0 | 0 | 108.5 | E332 F340 L353 A354 W364 E545 | E332-H362 IonicContact OE1-CE1 3.07Å; E332-H362 PolarHBondContact OE1-CE1 3.02Å; E332-H362 IonicContact OE1-ND1 2.71Å; E332-H362 IonicContact OE1-NE2 3.72Å; F340-H362 AromaticContact CE1-CD2 3.66Å; F340-H362 AromaticContact CE1-CG 3.95Å; F340-H362 AromaticContact CE1-NE2 3.94Å; L353-H362 CarbonylContact C-O 3.56Å; L353-H362 WeakPolarHBondContact CA-O 3.37Å; L353-H362 WeakPolarHBondContact CD1-O 3.48Å; A354-H362 HydrophobicContact CB-CB 4.01Å; A354-H362 PolarHBondContact N-O 2.95Å; A354-H362 PolarHBondContact O-N 3.44Å; H362-W364 HydrophobicContact CB-CE3 4.19Å; H362-W364 HydrophobicContact CB-CH2 3.21Å; H362-W364 HydrophobicContact CB-CZ2 4Å; H362-W364 HydrophobicContact CB-CZ3 3.31Å; H362-W364 AromaticContact CG-CH2 3.93Å; H362-W364 WeakPolarHBondContact O-CZ3 3.28Å; H362-E545 VanDerWaalsContact CE1-CB 3.45Å; H362-E545 WeakPolarHBondContact CE1-CB 3.48Å |
| 363 | L | 95.6 | Very high | 88.7 | Confident | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.031 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132.3 | 180 | -175.7 | 71.2 | 0 | 0 | 0 | 108.8 | W24 M351 I352 L353 P376 G377 V379 | W24-L363 HydrophobicContact CH2-CD1 3.86Å; W24-L363 HydrophobicContact CZ3-CD1 4.32Å; M351-L363 HydrophobicContact CB-CD1 4.11Å; M351-L363 HydrophobicContact SD-CD1 4.42Å; I352-L363 WeakPolarHBondContact O-CA 3.46Å; L353-L363 HydrophobicContact CB-CD1 4.49Å; L353-L363 HydrophobicContact CD1-CB 4.31Å; L353-L363 HydrophobicContact CD1-CD1 4.09Å; L363-P376 CarbonylContact O-C 3.55Å; L363-P376 WeakPolarHBondContact O-CA 3.07Å; L363-G377 PolarHBondContact O-N 2.92Å; L363-V379 HydrophobicContact CB-CB 4.07Å; L363-V379 HydrophobicContact CB-CG2 4.41Å |
| 364 | W | 95.8 | Very high | 88.5 | Confident | 16 Ų | 16 | 52.6 Ų | 52.6 | 6% | 0.061 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 140.7 | 166.3 | -61 | -102.6 | 0 | 0 | 0 | 109.4 | M312 V330 F340 M351 I352 A354 H362 W374 R375 | M312-W364 HydrophobicContact SD-CH2 4.43Å; M312-W364 HydrophobicContact SD-CZ3 3.84Å; V330-W364 HydrophobicContact CB-CD2 4.22Å; V330-W364 HydrophobicContact CB-CG 4.32Å; V330-W364 HydrophobicContact CB-CZ2 4.36Å; V330-W364 HydrophobicContact CG1-CG 4.36Å; V330-W364 HydrophobicContact CG2-CD2 3.8Å; V330-W364 HydrophobicContact CG2-CE3 4.09Å; V330-W364 HydrophobicContact CG2-CG 4.19Å; V330-W364 HydrophobicContact CG2-CH2 4.38Å; V330-W364 HydrophobicContact CG2-CZ2 4.16Å; V330-W364 HydrophobicContact CG2-CZ3 4.36Å; F340-W364 HydrophobicContact CE2-CH2 4.32Å; F340-W364 AromaticContact CZ-CH2 3.86Å; F340-W364 HydrophobicContact CZ-CH2 3.86Å; M351-W364 VanDerWaalsContact CA-O 3.27Å; M351-W364 WeakPolarHBondContact CA-O 3.31Å; I352-W364 HydrophobicContact CD1-CB 4.19Å; I352-W364 HydrophobicContact CD1-CE3 4.48Å; I352-W364 HydrophobicContact CG1-CB 3.77Å; I352-W364 HydrophobicContact CG1-CE3 4.12Å; I352-W364 HydrophobicContact CG1-CG 4.49Å; I352-W364 PolarHBondContact N-O 2.87Å; I352-W364 PolarHBondContact O-N 2.82Å; A354-W364 HydrophobicContact CB-CH2 4.19Å; A354-W364 HydrophobicContact CB-CZ3 3.87Å; H362-W364 HydrophobicContact CB-CE3 4.19Å; H362-W364 HydrophobicContact CB-CH2 3.21Å; H362-W364 HydrophobicContact CB-CZ2 4Å; H362-W364 HydrophobicContact CB-CZ3 3.31Å; H362-W364 AromaticContact CG-CH2 3.93Å; H362-W364 WeakPolarHBondContact O-CZ3 3.28Å; W364-W374 HydrophobicContact CB-CE3 3.98Å; W364-R375 CarbonylContact C-O 3.52Å; W364-R375 VanDerWaalsContact CA-O 3.28Å; W364-R375 WeakPolarHBondContact CA-O 3.21Å |
| 365 | C | 94.1 | Very high | 88.3 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 14% | 0.142 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 138.8 | 176 | -58.6 | 0 | 0 | 0 | 0 | 108.8 | D367 W374 R375 | C365-D367 PolarHBondContact O-N 2.56Å; C365-W374 WeakPolarHBondContact O-CA 3.46Å; C365-R375 PolarHBondContact N-O 2.73Å; C365-R375 PolarHBondContact O-N 2.81Å |
| 366 | K | 92.5 | Very high | 88.2 | Confident | 113 Ų | 113 | 61 Ų | 61 | 49% | 0.491 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 131.1 | 171.2 | -166.1 | 173.4 | -178.1 | 178.1 | 0 | 109.1 | S350 W374 | S350-K366 WeakPolarHBondContact O-CB 3.07Å; S350-K366 PolarHBondContact O-N 2.87Å; K366-W374 HydrophobicContact CB-CD2 4.41Å; K366-W374 HydrophobicContact CB-CE3 4.39Å; K366-W374 HydrophobicContact CB-CH2 4.21Å; K366-W374 HydrophobicContact CB-CZ2 4.23Å; K366-W374 HydrophobicContact CB-CZ3 4.27Å; K366-W374 HydrophobicContact CD-CZ2 4.45Å; K366-W374 HydrophobicContact CG-CZ2 4.38Å |
| 367 | D | 85.8 | Confident | 88.1 | Confident | 25 Ų | 25 | 61.1 Ų | 61.1 | 13% | 0.134 | 31% | 0.307 | C | S | . | . | trans | -73.8 | 133.6 | 176 | -158.4 | -18.4 | 0 | 0 | 0 | 109.3 | C365 D369 K370 G373 R375 | C365-D367 PolarHBondContact O-N 2.56Å; D367-D369 PolarHBondContact OD1-N 3.12Å; D367-K370 HydrophobicContact CB-CB 4.27Å; D367-G373 WeakPolarHBondContact CB-O 3.29Å; D367-G373 PolarHBondContact N-O 3.01Å; D367-R375 VanDerWaalsContact CG-NH1 3.26Å; D367-R375 IonicContact OD1-CZ 2.84Å; D367-R375 IonicContact OD1-NH1 3.78Å; D367-R375 PolarHBondContact OD1-NH1 3.25Å; D367-R375 IonicContact OD2-NH1 3.78Å | ||
| 368 | Q | 77.8 | Confident | 88.3 | Confident | 184 Ų | 184 | 59.3 Ų | 59.3 | 86% | 0.86 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -81.4 | -25.3 | 176.2 | -66.9 | -174.6 | -4.9 | 0 | 0 | 111.3 | ||
| 369 | D | 74.6 | Confident | 88.7 | Confident | 146 Ų | 146 | 57.6 Ų | 57.6 | 78% | 0.781 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -93.2 | -17.6 | -173.2 | -59.4 | -40.5 | 0 | 0 | 0 | 112.8 | D367 | D367-D369 PolarHBondContact OD1-N 3.12Š|
| 370 | K | 78 | Confident | 88.9 | Confident | 142 Ų | 142 | 57.9 Ų | 57.9 | 62% | 0.617 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -125.2 | 113.5 | 179.3 | -67.5 | -178.3 | -178.2 | 177.7 | 0 | 109.8 | D367 G372 G373 | D367-K370 HydrophobicContact CB-CB 4.27Å; K370-G372 PolarHBondContact O-N 3.29Å; K370-G373 PolarHBondContact O-N 3.15Å |
| 371 | E | 74.4 | Confident | 89 | Confident | 205 Ų | 205 | 58 Ų | 58 | 96% | 0.958 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 125 | 175.1 | -166.1 | 169.8 | -163.6 | 0 | 0 | 110.4 | G373 | E371-G373 PolarHBondContact O-N 2.9Š|
| 372 | G | 74.8 | Confident | 89 | Confident | 44 Ų | 44 | 57.9 Ų | 57.9 | 45% | 0.454 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | -1.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K370 W374 | K370-G372 PolarHBondContact O-N 3.29Å; G372-W374 VanDerWaalsContact O-CD1 3.28Å |
| 373 | G | 87.1 | Confident | 89 | Confident | 18 Ų | 18 | 57.3 Ų | 57.3 | 19% | 0.186 | 29% | 0.292 | C | S | . | . | trans | -73 | 141.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D367 K370 E371 | D367-G373 WeakPolarHBondContact CB-O 3.29Å; D367-G373 PolarHBondContact N-O 3.01Å; K370-G373 PolarHBondContact O-N 3.15Å; E371-G373 PolarHBondContact O-N 2.9Å | ||
| 374 | W | 92.9 | Very high | 89 | Confident | 49 Ų | 49 | 58.6 Ų | 58.6 | 19% | 0.186 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 137.2 | 172.1 | -69.7 | 76.8 | 0 | 0 | 0 | 109.6 | I314 V328 V330 I352 W364 C365 K366 G372 | I314-W374 HydrophobicContact CD1-CH2 4.03Å; I314-W374 HydrophobicContact CD1-CZ2 3.45Å; I314-W374 VanDerWaalsContact CD1-CZ2 3.45Å; V328-W374 VanDerWaalsContact CG1-CD1 3.42Å; V328-W374 HydrophobicContact CG1-CG 4.02Å; V330-W374 HydrophobicContact CG1-CB 4.02Å; I352-W374 HydrophobicContact CB-CZ3 4.18Å; I352-W374 HydrophobicContact CD1-CD2 4.39Å; I352-W374 HydrophobicContact CD1-CE3 3.91Å; I352-W374 HydrophobicContact CD1-CZ3 4Å; I352-W374 HydrophobicContact CG1-CE3 3.86Å; I352-W374 HydrophobicContact CG1-CH2 4.4Å; I352-W374 HydrophobicContact CG1-CZ3 3.65Å; I352-W374 HydrophobicContact CG2-CH2 3.79Å; I352-W374 HydrophobicContact CG2-CZ3 3.83Å; W364-W374 HydrophobicContact CB-CE3 3.98Å; C365-W374 WeakPolarHBondContact O-CA 3.46Å; K366-W374 HydrophobicContact CB-CD2 4.41Å; K366-W374 HydrophobicContact CB-CE3 4.39Å; K366-W374 HydrophobicContact CB-CH2 4.21Å; K366-W374 HydrophobicContact CB-CZ2 4.23Å; K366-W374 HydrophobicContact CB-CZ3 4.27Å; K366-W374 HydrophobicContact CD-CZ2 4.45Å; K366-W374 HydrophobicContact CG-CZ2 4.38Å; G372-W374 VanDerWaalsContact O-CD1 3.28Å |
| 375 | R | 92.1 | Very high | 89 | Confident | 117 Ų | 117 | 60.4 Ų | 60.4 | 44% | 0.442 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 143.9 | 177.6 | 60.2 | 175.2 | 174.6 | -118.6 | 0.4 | 111.6 | W364 C365 D367 | W364-R375 CarbonylContact C-O 3.52Å; W364-R375 VanDerWaalsContact CA-O 3.28Å; W364-R375 WeakPolarHBondContact CA-O 3.21Å; C365-R375 PolarHBondContact N-O 2.73Å; C365-R375 PolarHBondContact O-N 2.81Å; D367-R375 VanDerWaalsContact CG-NH1 3.26Å; D367-R375 IonicContact OD1-CZ 2.84Å; D367-R375 IonicContact OD1-NH1 3.78Å; D367-R375 PolarHBondContact OD1-NH1 3.25Å; D367-R375 IonicContact OD2-NH1 3.78Å |
| 376 | P | 92.6 | Very high | 89.2 | Confident | 64 Ų | 64 | 60 Ų | 60 | 42% | 0.416 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.6 | 139.8 | 169.9 | -22.7 | 33.4 | 0 | 0 | 0 | 110.8 | L363 P544 | L363-P376 CarbonylContact O-C 3.55Å; L363-P376 WeakPolarHBondContact O-CA 3.07Å; P376-P544 HydrophobicContact CB-CB 4.02Å; P376-P544 HydrophobicContact CB-CG 4.23Å |
| 377 | G | 91.8 | Very high | 89.5 | Confident | 9 Ų | 9 | 54.7 Ų | 54.7 | 9% | 0.093 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 156.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L363 V379 | L363-G377 PolarHBondContact O-N 2.92Å; G377-V379 PolarHBondContact O-N 3.05Å |
| 378 | V | 93.1 | Very high | 90.1 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.024 | 29% | 0.285 | C | S | . | . | trans | -67.3 | 132 | 175.3 | 179.6 | 0 | 0 | 0 | 0 | 110.4 | E541 P542 | V378-E541 HydrophobicContact CG2-CB 4.13Å; V378-E541 HydrophobicContact CG2-CG 3.87Å; V378-E541 WeakPolarHBondContact CG2-OE2 3.19Å; V378-P542 HydrophobicContact CG1-CB 3.85Å; V378-P542 HydrophobicContact CG1-CG 4.03Å; V378-P542 HydrophobicContact CG2-CB 4.39Å; V378-P542 WeakPolarHBondContact CG2-O 3.3Å | ||
| 379 | V | 94.8 | Very high | 91.1 | Very high | 21 Ų | 21 | 46.6 Ų | 46.6 | 13% | 0.127 | 25% | 0.245 | C | C | . | . | trans | -137.7 | 158.4 | -179.2 | 64 | 0 | 0 | 0 | 0 | 109.4 | Y41 L353 L361 L363 G377 | Y41-V379 HydrophobicContact CE1-CG2 4.2Å; L353-V379 HydrophobicContact CD1-CG2 4.45Å; L361-V379 HydrophobicContact CB-CG2 3.61Å; L361-V379 HydrophobicContact CD1-CG2 4.34Å; L361-V379 WeakPolarHBondContact O-CG1 3.41Å; L363-V379 HydrophobicContact CB-CB 4.07Å; L363-V379 HydrophobicContact CB-CG2 4.41Å; G377-V379 PolarHBondContact O-N 3.05Å | ||
| 380 | I | 94.7 | Very high | 92.2 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | trans | -65.5 | 150.3 | 173.9 | 56.1 | 167 | 0 | 0 | 0 | 111 | F32 Y41 V48 L361 | F32-I380 HydrophobicContact CE1-CD1 3.8Å; F32-I380 HydrophobicContact CZ-CD1 3.66Å; Y41-I380 HydrophobicContact CD2-CB 4.48Å; Y41-I380 HydrophobicContact CD2-CD1 3.64Å; Y41-I380 HydrophobicContact CD2-CG1 3.83Å; Y41-I380 HydrophobicContact CD2-CG2 3.87Å; Y41-I380 HydrophobicContact CE2-CB 4.21Å; Y41-I380 HydrophobicContact CE2-CD1 4.18Å; Y41-I380 HydrophobicContact CE2-CG1 3.83Å; Y41-I380 HydrophobicContact CE2-CG2 3.52Å; Y41-I380 HydrophobicContact CG-CD1 3.93Å; Y41-I380 HydrophobicContact CG-CG1 4.29Å; V48-I380 HydrophobicContact CG2-CD1 3.59Å; L361-I380 HydrophobicContact CD1-CD1 4.37Å; L361-I380 HydrophobicContact CD1-CG1 4.17Å | ||
| 381 | S | 94.9 | Very high | 93.2 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 8% | 0.077 | 19% | 0.187 | C | C | . | . | trans | -135.9 | 168.4 | 171.7 | -161.9 | 0 | 0 | 0 | 0 | 110.2 | A12 R409 E426 E545 | A12-S381 WeakPolarHBondContact CA-O 3.48Å; A12-S381 WeakPolarHBondContact CB-O 3.39Å; S381-R409 PolarHBondContact OG-NH1 3.42Å; S381-E426 VanDerWaalsContact CB-OE2 3.28Å; S381-E426 WeakPolarHBondContact CB-OE2 3.49Å; S381-E426 PolarHBondContact OG-OE2 3.46Å; S381-E426 VanDerWaalsContact OG-OE2 3.08Å; S381-E545 PolarHBondContact OG-OE2 3.2Å | ||
| 382 | G | 95.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 25 Ų | 25 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | trans | 176.3 | 170.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | R409 | G382-R409 VanDerWaalsContact C-CZ 3.43Å; G382-R409 PolarHBondContact O-NH1 2.9Å; G382-R409 PolarHBondContact O-NH2 2.63Å; G382-R409 VanDerWaalsContact O-NH2 3.07Å | ||
| 383 | H | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -66.1 | 150.3 | 179.9 | -69.1 | -84.9 | 0 | 0 | 0 | 111.6 | S14 V387 S401 G403 D405 T407 | S14-H383 PolarHBondContact OG-O 3.31Å; H383-V387 HydrophobicContact CB-CG2 3.89Å; H383-S401 PolarHBondContact NE2-OG 2.91Å; H383-G403 PolarHBondContact CE1-N 3.25Å; H383-D405 WeakPolarHBondContact CA-OD2 3.5Å; H383-D405 WeakPolarHBondContact CB-OD2 3.25Å; H383-D405 IonicContact CE1-OD1 3.5Å; H383-D405 IonicContact CG-OD1 2.72Å; H383-D405 IonicContact CG-OD2 3.02Å; H383-D405 IonicContact ND1-OD1 3.66Å; H383-D405 PolarHBondContact ND1-OD1 2.82Å; H383-D405 IonicContact ND1-OD2 3.35Å; H383-D405 PolarHBondContact ND1-OD2 2.9Å; H383-T407 PolarHBondContact CE1-O 2.79Å; H383-T407 PolarHBondContact CE1-OG1 2.83Å; H383-T407 VanDerWaalsContact CE1-OG1 3.27Å; H383-T407 PolarHBondContact ND1-OG1 3.34Å | ||
| 384 | F | 94.3 | Very high | 95.5 | Very high | 34 Ų | 34 | 24.1 Ų | 24.1 | 15% | 0.149 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -108.5 | 7.2 | 175.6 | 66.6 | -96.4 | 0 | 0 | 0 | 114.1 | S14 H358 D405 H827 | S14-F384 WeakPolarHBondContact OG-CA 3.5Å; S14-F384 VanDerWaalsContact OG-CB 3.31Å; S14-F384 WeakPolarHBondContact OG-CB 3.22Å; H358-F384 HydrophobicContact CB-CD1 3.94Å; H358-F384 HydrophobicContact CB-CE1 3.77Å; H358-F384 HydrophobicContact CB-CZ 4.25Å; H358-F384 AromaticContact CD2-CE1 3.91Å; H358-F384 AromaticContact CD2-CZ 3.53Å; H358-F384 WeakPolarHBondContact O-CB 3.49Å; H358-F384 WeakPolarHBondContact O-CD1 3.39Å; H358-F384 WeakPolarHBondContact O-CG 3.39Å; F384-D405 HydrophobicContact CD1-CB 3.76Å; F384-D405 HydrophobicContact CD2-CB 3.96Å; F384-D405 HydrophobicContact CE1-CB 3.6Å; F384-D405 HydrophobicContact CE2-CB 3.79Å; F384-D405 HydrophobicContact CG-CB 3.94Å; F384-D405 HydrophobicContact CZ-CB 3.61Å; F384-D405 PolarHBondContact N-OD2 2.84Å; F384-H827 PolarHBondContact O-CE1 3.49Å; F384-H827 PolarHBondContact O-ND1 3.39Å |
| 385 | N | 96.8 | Very high | 95.3 | Very high | 54 Ų | 54 | 24.7 Ų | 24.7 | 29% | 0.289 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -144.7 | 174.5 | 171.7 | -155.4 | -8.8 | 0 | 0 | 0 | 109.1 | V387 S404 D405 H827 | N385-V387 PolarHBondContact O-N 3.34Å; N385-S404 PolarHBondContact ND2-O 2.88Å; N385-D405 HydrophobicContact CB-CB 3.74Å; N385-H827 VanDerWaalsContact C-CG 3.41Å; N385-H827 WeakPolarHBondContact O-CA 3.06Å; N385-H827 WeakPolarHBondContact O-CB 3.1Å |
| 386 | A | 97.9 | Very high | 95.4 | Very high | 13 Ų | 13 | 19.1 Ų | 19.1 | 11% | 0.107 | 11% | 0.111 | C | C | . | . | trans | -53.3 | 131.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | G403 S404 H827 | A386-G403 WeakPolarHBondContact O-CA 3.14Å; A386-S404 PolarHBondContact O-N 2.69Å; A386-H827 PolarHBondContact N-CD2 2.93Å | ||
| 387 | V | 98.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 119.4 | 173.8 | -169.7 | 0 | 0 | 0 | 0 | 108 | H383 N385 V402 K783 A823 G824 V829 | H383-V387 HydrophobicContact CB-CG2 3.89Å; N385-V387 PolarHBondContact O-N 3.34Å; V387-V402 WeakPolarHBondContact CG1-O 3.45Å; V387-K783 WeakPolarHBondContact O-CB 3.33Å; V387-K783 WeakPolarHBondContact O-CG 3.42Å; V387-A823 HydrophobicContact CB-CB 3.93Å; V387-A823 HydrophobicContact CG1-CB 3.61Å; V387-G824 PolarHBondContact N-O 2.81Å; V387-G824 VanDerWaalsContact N-O 3.1Å; V387-V829 HydrophobicContact CG1-CG2 3.98Å; V387-V829 HydrophobicContact CG2-CG2 4.06Å |
| 388 | Q | 98.2 | Very high | 95.7 | Very high | 35 Ų | 35 | 17 Ų | 17 | 16% | 0.164 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | -38.1 | -171.2 | -60.6 | -59.3 | -21.5 | 0 | 0 | 113 | V402 S404 M437 Q438 | Q388-V402 PolarHBondContact N-O 2.69Å; Q388-S404 PolarHBondContact NE2-OG 2.97Å; Q388-M437 VanDerWaalsContact CG-O 3.24Å; Q388-M437 WeakPolarHBondContact CG-O 3.42Å; Q388-Q438 VanDerWaalsContact CB-O 3.32Å; Q388-Q438 WeakPolarHBondContact CB-O 3.45Å |
| 389 | D | 98.5 | Very high | 95.9 | Very high | 5 Ų | 5 | 16.9 Ų | 16.9 | 3% | 0.027 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 158.1 | -179.3 | -157.1 | -3.4 | 0 | 0 | 0 | 110.7 | S401 V402 L440 R784 | D389-S401 WeakPolarHBondContact O-CA 3.47Å; D389-V402 HydrophobicContact CB-CG2 3.82Å; D389-V402 PolarHBondContact O-N 3.27Å; D389-L440 HydrophobicContact CB-CG 4.49Å; D389-L440 PolarHBondContact OD2-N 3.07Å; D389-R784 WeakPolarHBondContact OD1-CD 3.45Å; D389-R784 WeakPolarHBondContact OD1-CG 3.48Å; D389-R784 IonicContact OD1-CZ 3.87Å; D389-R784 IonicContact OD1-NE 3.31Å; D389-R784 PolarHBondContact OD1-NE 3.18Å; D389-R784 IonicContact OD1-NH2 3.29Å; D389-R784 PolarHBondContact OD1-NH2 2.89Å; D389-R784 VanDerWaalsContact OD1-NH2 3.16Å; D389-R784 IonicContact OD2-CZ 3.83Å; D389-R784 IonicContact OD2-NH2 3.82Å; D389-R784 PolarHBondContact OD2-NH2 3.13Å |
| 390 | L | 98.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 156.8 | 172.2 | 63.8 | 73 | 0 | 0 | 0 | 111.3 | V399 L400 R784 R786 A821 A823 V829 | L390-V399 HydrophobicContact CB-CG1 4.31Å; L390-L400 CarbonylContact C-O 3.57Å; L390-L400 WeakPolarHBondContact CA-O 3.34Å; L390-L400 VanDerWaalsContact CB-O 3.32Å; L390-L400 WeakPolarHBondContact CB-O 3.36Å; L390-R784 HydrophobicContact CG-CB 4.37Å; L390-R784 HydrophobicContact CG-CG 4.36Å; L390-R786 HydrophobicContact CD1-CB 3.58Å; L390-R786 HydrophobicContact CD1-CG 3.59Å; L390-R786 WeakPolarHBondContact O-CG 3.35Å; L390-A821 HydrophobicContact CD1-CB 3.96Å; L390-A821 HydrophobicContact CD2-CB 4.05Å; L390-A823 HydrophobicContact CD2-CB 3.82Å; L390-A823 HydrophobicContact CG-CB 4.11Å; L390-V829 HydrophobicContact CD2-CG1 4.17Å |
| 391 | S | 97.6 | Very high | 96.3 | Very high | 26 Ų | 26 | 15.6 Ų | 15.6 | 18% | 0.182 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 141.1 | 171.3 | -171.6 | 0 | 0 | 0 | 0 | 110.2 | L400 L440 | S391-L400 PolarHBondContact N-O 3.24Å; S391-L400 PolarHBondContact O-N 2.95Å; S391-L440 VanDerWaalsContact CB-CD1 3.42Å |
| 392 | W | 97.3 | Very high | 96.4 | Very high | 12 Ų | 12 | 15 Ų | 15 | 5% | 0.045 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 151.7 | 161.2 | -70.5 | 89.2 | 0 | 0 | 0 | 109.8 | G396 V399 W424 R786 W787 R788 Q819 A821 I831 | W392-G396 WeakPolarHBondContact CZ3-O 3.31Å; W392-V399 HydrophobicContact CD2-CG2 3.54Å; W392-V399 HydrophobicContact CE3-CG2 3.52Å; W392-V399 HydrophobicContact CG-CG2 4.25Å; W392-V399 HydrophobicContact CH2-CG2 3.77Å; W392-V399 HydrophobicContact CZ2-CG2 3.75Å; W392-V399 HydrophobicContact CZ3-CG2 3.67Å; W392-W424 AromaticContact CH2-CH2 3.66Å; W392-W424 HydrophobicContact CH2-CH2 3.66Å; W392-W424 HydrophobicContact CH2-CZ2 4.17Å; W392-W424 AromaticContact CZ3-CH2 3.66Å; W392-W424 HydrophobicContact CZ3-CH2 3.66Å; W392-W424 HydrophobicContact CZ3-CZ2 4.48Å; W392-R786 PolarHBondContact NE1-O 3.35Å; W392-W787 VanDerWaalsContact CD1-O 3.26Å; W392-R788 HydrophobicContact CD2-CB 4.04Å; W392-R788 HydrophobicContact CD2-CG 4.26Å; W392-R788 HydrophobicContact CE3-CB 4.2Å; W392-R788 HydrophobicContact CE3-CG 3.96Å; W392-R788 HydrophobicContact CH2-CB 4.05Å; W392-R788 HydrophobicContact CH2-CG 4.25Å; W392-R788 HydrophobicContact CZ2-CB 3.9Å; W392-R788 HydrophobicContact CZ3-CB 4.17Å; W392-R788 HydrophobicContact CZ3-CG 3.93Å; W392-Q819 HydrophobicContact CH2-CB 4.24Å; W392-Q819 HydrophobicContact CZ2-CB 4.21Å; W392-A821 HydrophobicContact CZ2-CB 3.89Å; W392-I831 HydrophobicContact CH2-CG2 4.37Å; W392-I831 HydrophobicContact CZ2-CG2 4.42Å |
| 393 | D | 95.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | trans | -65.8 | 157.4 | 160.8 | 85 | -68.3 | 0 | 0 | 0 | 110.4 | E395 G396 E397 F398 M442 R445 | D393-E395 PolarHBondContact O-N 3.26Å; D393-E395 VanDerWaalsContact O-N 3.1Å; D393-E395 VanDerWaalsContact OD2-CB 3.32Å; D393-E395 WeakPolarHBondContact OD2-CB 3.16Å; D393-E395 PolarHBondContact OD2-N 2.9Å; D393-G396 PolarHBondContact O-N 3.45Å; D393-G396 VanDerWaalsContact OD1-C 3.26Å; D393-G396 VanDerWaalsContact OD1-CA 3.28Å; D393-G396 WeakPolarHBondContact OD1-CA 3.37Å; D393-G396 PolarHBondContact OD1-N 3.27Å; D393-G396 PolarHBondContact OD2-N 3.11Å; D393-E397 PolarHBondContact OD1-N 3.18Å; D393-F398 HydrophobicContact CB-CD1 3.77Å; D393-F398 HydrophobicContact CB-CD2 3.91Å; D393-F398 HydrophobicContact CB-CE1 3.46Å; D393-F398 VanDerWaalsContact CB-CE1 3.46Å; D393-F398 HydrophobicContact CB-CE2 3.62Å; D393-F398 HydrophobicContact CB-CG 4Å; D393-F398 HydrophobicContact CB-CZ 3.4Å; D393-F398 VanDerWaalsContact CB-CZ 3.4Å; D393-F398 PolarHBondContact N-O 3.49Å; D393-F398 PolarHBondContact OD1-N 2.88Å; D393-M442 HydrophobicContact CB-CE 3.94Å; D393-R445 IonicContact OD2-NE 2.96Å | ||
| 394 | P | 92.1 | Very high | 96.5 | Very high | 43 Ų | 43 | 15.5 Ų | 15.5 | 28% | 0.279 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -27.4 | -177.4 | -26.1 | 35.5 | 0 | 0 | 0 | 114.6 | ||
| 395 | E | 90.8 | Very high | 96.5 | Very high | 60 Ų | 60 | 14.2 Ų | 14.2 | 28% | 0.28 | 8% | 0.078 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -16.7 | 179.5 | -59.5 | -69.5 | 116.1 | 0 | 0 | 112.6 | D393 E397 R790 | D393-E395 PolarHBondContact O-N 3.26Å; D393-E395 VanDerWaalsContact O-N 3.1Å; D393-E395 VanDerWaalsContact OD2-CB 3.32Å; D393-E395 WeakPolarHBondContact OD2-CB 3.16Å; D393-E395 PolarHBondContact OD2-N 2.9Å; E395-E397 HydrophobicContact CB-CG 4.31Å; E395-R790 WeakPolarHBondContact O-CD 3.06Å; E395-R790 PolarHBondContact O-NH1 3.12Å; E395-R790 IonicContact OE1-CZ 3.11Å; E395-R790 IonicContact OE1-NH2 2.68Å; E395-R790 PolarHBondContact OE1-NH2 3.02Å; E395-R790 IonicContact OE2-CZ 3.95Å; E395-R790 IonicContact OE2-NH1 3.51Å; E395-R790 PolarHBondContact OE2-NH1 2.98Å; E395-R790 IonicContact OE2-NH2 2.72Å; E395-R790 PolarHBondContact OE2-NH2 3.04Å |
| 396 | G | 93.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | S | Bend | trans | 80.9 | 22.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | W392 D393 R788 | W392-G396 WeakPolarHBondContact CZ3-O 3.31Å; D393-G396 PolarHBondContact O-N 3.45Å; D393-G396 VanDerWaalsContact OD1-C 3.26Å; D393-G396 VanDerWaalsContact OD1-CA 3.28Å; D393-G396 WeakPolarHBondContact OD1-CA 3.37Å; D393-G396 PolarHBondContact OD1-N 3.27Å; D393-G396 PolarHBondContact OD2-N 3.11Å; G396-R788 WeakPolarHBondContact O-CD 3.5Å; G396-R788 PolarHBondContact O-NE 3.24Å |
| 397 | E | 93.7 | Very high | 96.3 | Very high | 30 Ų | 30 | 14.5 Ų | 14.5 | 14% | 0.14 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -90.2 | -24.2 | 178.9 | -60.7 | -51.5 | 125.3 | 0 | 0 | 113.5 | D393 E395 T412 P413 F470 I476 R788 | D393-E397 PolarHBondContact OD1-N 3.18Å; E395-E397 HydrophobicContact CB-CG 4.31Å; E397-T412 PolarHBondContact O-OG1 3.41Å; E397-P413 VanDerWaalsContact O-CD 3.26Å; E397-P413 WeakPolarHBondContact O-CD 3.07Å; E397-F470 HydrophobicContact CB-CZ 4.15Å; E397-I476 HydrophobicContact CB-CD1 4.41Å; E397-I476 HydrophobicContact CG-CD1 4.05Å; E397-R788 IonicContact OE1-NH2 3.63Å; E397-R788 PolarHBondContact OE1-NH2 3.22Å |
| 398 | F | 96.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | trans | -143.8 | 164.6 | 176.6 | 68.9 | -100.2 | 0 | 0 | 0 | 112.6 | D393 L400 L410 F411 M442 R445 F446 F470 | D393-F398 HydrophobicContact CB-CD1 3.77Å; D393-F398 HydrophobicContact CB-CD2 3.91Å; D393-F398 HydrophobicContact CB-CE1 3.46Å; D393-F398 VanDerWaalsContact CB-CE1 3.46Å; D393-F398 HydrophobicContact CB-CE2 3.62Å; D393-F398 HydrophobicContact CB-CG 4Å; D393-F398 HydrophobicContact CB-CZ 3.4Å; D393-F398 VanDerWaalsContact CB-CZ 3.4Å; D393-F398 PolarHBondContact N-O 3.49Å; D393-F398 PolarHBondContact OD1-N 2.88Å; F398-L400 HydrophobicContact CD2-CG 4.34Å; F398-L400 HydrophobicContact CE2-CD1 4.01Å; F398-L400 HydrophobicContact CE2-CG 3.97Å; F398-L410 HydrophobicContact CB-CD2 3.84Å; F398-L410 HydrophobicContact CB-CG 4.39Å; F398-L410 HydrophobicContact CD2-CD1 3.57Å; F398-L410 HydrophobicContact CD2-CD2 3.88Å; F398-L410 HydrophobicContact CD2-CG 3.54Å; F398-L410 HydrophobicContact CE2-CD1 3.46Å; F398-L410 VanDerWaalsContact CE2-CD1 3.46Å; F398-L410 HydrophobicContact CE2-CG 3.97Å; F398-L410 HydrophobicContact CG-CD1 4.21Å; F398-L410 HydrophobicContact CG-CD2 3.9Å; F398-L410 HydrophobicContact CG-CG 4.11Å; F398-L410 HydrophobicContact CZ-CD1 4Å; F398-F411 CarbonylContact C-O 3.58Å; F398-F411 VanDerWaalsContact CA-O 3.26Å; F398-F411 WeakPolarHBondContact CA-O 3.32Å; F398-F411 VanDerWaalsContact CB-O 3.25Å; F398-F411 WeakPolarHBondContact CB-O 3.37Å; F398-M442 HydrophobicContact CE2-CE 4.14Å; F398-M442 HydrophobicContact CZ-CE 4.07Å; F398-R445 VanDerWaalsContact CZ-O 3.24Å; F398-R445 WeakPolarHBondContact CZ-O 3.4Å; F398-F446 HydrophobicContact CE1-CD1 4.38Å; F398-F446 HydrophobicContact CE1-CE1 4.03Å; F398-F446 HydrophobicContact CZ-CD1 4.46Å; F398-F470 HydrophobicContact CB-CE2 4.44Å; F398-F470 AromaticContact CD1-CE2 3.92Å; F398-F470 HydrophobicContact CD1-CE2 3.92Å; F398-F470 AromaticContact CD1-CZ 3.81Å; F398-F470 HydrophobicContact CD1-CZ 3.81Å; F398-F470 HydrophobicContact CE1-CZ 4.43Å | ||
| 399 | V | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 135 | 176 | 179.1 | 0 | 0 | 0 | 0 | 109.4 | L390 W392 L410 F411 W424 A821 I831 | L390-V399 HydrophobicContact CB-CG1 4.31Å; W392-V399 HydrophobicContact CD2-CG2 3.54Å; W392-V399 HydrophobicContact CE3-CG2 3.52Å; W392-V399 HydrophobicContact CG-CG2 4.25Å; W392-V399 HydrophobicContact CH2-CG2 3.77Å; W392-V399 HydrophobicContact CZ2-CG2 3.75Å; W392-V399 HydrophobicContact CZ3-CG2 3.67Å; V399-L410 WeakPolarHBondContact O-CA 3.47Å; V399-F411 PolarHBondContact N-O 3.12Å; V399-F411 PolarHBondContact O-N 2.97Å; V399-W424 HydrophobicContact CG2-CZ3 4.39Å; V399-A821 HydrophobicContact CG1-CB 4.46Å; V399-A821 HydrophobicContact CG2-CB 4.29Å; V399-I831 HydrophobicContact CG2-CD1 4.29Å |
| 400 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 138.3 | 165.7 | -81.8 | 168.1 | 0 | 0 | 0 | 110.1 | L390 S391 F398 T408 R409 L410 P430 L440 M442 F448 | L390-L400 CarbonylContact C-O 3.57Å; L390-L400 WeakPolarHBondContact CA-O 3.34Å; L390-L400 VanDerWaalsContact CB-O 3.32Å; L390-L400 WeakPolarHBondContact CB-O 3.36Å; S391-L400 PolarHBondContact N-O 3.24Å; S391-L400 PolarHBondContact O-N 2.95Å; F398-L400 HydrophobicContact CD2-CG 4.34Å; F398-L400 HydrophobicContact CE2-CD1 4.01Å; F398-L400 HydrophobicContact CE2-CG 3.97Å; L400-T408 HydrophobicContact CD2-CG2 3.91Å; L400-R409 WeakPolarHBondContact CA-O 3.22Å; L400-L410 HydrophobicContact CD2-CB 3.62Å; L400-L410 HydrophobicContact CD2-CD1 3.89Å; L400-L410 HydrophobicContact CD2-CG 3.93Å; L400-L410 HydrophobicContact CG-CB 4.46Å; L400-L410 HydrophobicContact CG-CD1 4.2Å; L400-L410 HydrophobicContact CG-CG 4.28Å; L400-P430 HydrophobicContact CD2-CG 3.96Å; L400-L440 HydrophobicContact CB-CD2 4.4Å; L400-M442 HydrophobicContact CD1-CE 4.24Å; L400-M442 HydrophobicContact CD1-SD 3.5Å; L400-M442 VanDerWaalsContact CD1-SD 3.5Å; L400-F448 HydrophobicContact CD1-CB 4.48Å; L400-F448 HydrophobicContact CD1-CD1 3.92Å; L400-F448 HydrophobicContact CD1-CE1 4.48Å; L400-F448 HydrophobicContact CD1-CG 4.32Å |
| 401 | S | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 151.8 | 172.8 | 60 | 0 | 0 | 0 | 0 | 111.5 | H383 D389 T408 R409 | H383-S401 PolarHBondContact NE2-OG 2.91Å; D389-S401 WeakPolarHBondContact O-CA 3.47Å; S401-T408 CarbonylContact O-C 3.56Å; S401-T408 VanDerWaalsContact O-CA 3.28Å; S401-T408 WeakPolarHBondContact O-CA 3.34Å; S401-R409 PolarHBondContact N-O 3.1Å; S401-R409 PolarHBondContact O-N 2.86Å |
| 402 | V | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 143 | 172.2 | -69.6 | 0 | 0 | 0 | 0 | 110.8 | V387 Q388 D389 T407 T408 M437 L440 | V387-V402 WeakPolarHBondContact CG1-O 3.45Å; Q388-V402 PolarHBondContact N-O 2.69Å; D389-V402 HydrophobicContact CB-CG2 3.82Å; D389-V402 PolarHBondContact O-N 3.27Å; V402-T407 WeakPolarHBondContact CA-O 3.09Å; V402-T408 HydrophobicContact CG1-CG2 4.03Å; V402-T408 WeakPolarHBondContact CG1-OG1 3.19Å; V402-M437 HydrophobicContact CB-CB 3.69Å; V402-M437 HydrophobicContact CB-CG 4.42Å; V402-M437 HydrophobicContact CG1-CB 4.3Å; V402-M437 HydrophobicContact CG1-CE 4.28Å; V402-M437 HydrophobicContact CG2-CB 4.28Å; V402-L440 HydrophobicContact CB-CD2 4.14Å; V402-L440 HydrophobicContact CG1-CB 4Å; V402-L440 HydrophobicContact CG1-CD2 3.58Å; V402-L440 HydrophobicContact CG1-CG 4.4Å; V402-L440 HydrophobicContact CG2-CB 4.32Å; V402-L440 HydrophobicContact CG2-CD2 3.92Å; V402-L440 HydrophobicContact CG2-CG 4.44Å |
| 403 | G | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 160.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | H383 A386 D405 Q406 T407 M437 | H383-G403 PolarHBondContact CE1-N 3.25Å; A386-G403 WeakPolarHBondContact O-CA 3.14Å; G403-D405 PolarHBondContact O-N 3.2Å; G403-D405 VanDerWaalsContact O-N 3.09Å; G403-Q406 PolarHBondContact O-N 3.19Å; G403-Q406 VanDerWaalsContact O-N 3.07Å; G403-T407 PolarHBondContact N-O 3.37Å; G403-T407 VanDerWaalsContact N-O 3.13Å; G403-M437 VanDerWaalsContact O-CB 3.31Å; G403-M437 WeakPolarHBondContact O-CB 3.41Å; G403-M437 PolarHBondContact O-N 2.68Å |
| 404 | S | 97.1 | Very high | 95.9 | Very high | 11 Ų | 11 | 12.3 Ų | 12.3 | 8% | 0.077 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 5.9 | 166.5 | -59.1 | 0 | 0 | 0 | 0 | 112.8 | N385 A386 Q388 | N385-S404 PolarHBondContact ND2-O 2.88Å; A386-S404 PolarHBondContact O-N 2.69Å; Q388-S404 PolarHBondContact NE2-OG 2.97Å |
| 405 | D | 94.5 | Very high | 95.7 | Very high | 7 Ų | 7 | 15.1 Ų | 15.1 | 4% | 0.037 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 9.5 | 167.3 | 75.3 | -18.5 | 0 | 0 | 0 | 111.5 | H383 F384 N385 G403 T407 R409 | H383-D405 WeakPolarHBondContact CA-OD2 3.5Å; H383-D405 WeakPolarHBondContact CB-OD2 3.25Å; H383-D405 IonicContact CE1-OD1 3.5Å; H383-D405 IonicContact CG-OD1 2.72Å; H383-D405 IonicContact CG-OD2 3.02Å; H383-D405 IonicContact ND1-OD1 3.66Å; H383-D405 PolarHBondContact ND1-OD1 2.82Å; H383-D405 IonicContact ND1-OD2 3.35Å; H383-D405 PolarHBondContact ND1-OD2 2.9Å; F384-D405 HydrophobicContact CD1-CB 3.76Å; F384-D405 HydrophobicContact CD2-CB 3.96Å; F384-D405 HydrophobicContact CE1-CB 3.6Å; F384-D405 HydrophobicContact CE2-CB 3.79Å; F384-D405 HydrophobicContact CG-CB 3.94Å; F384-D405 HydrophobicContact CZ-CB 3.61Å; F384-D405 PolarHBondContact N-OD2 2.84Å; N385-D405 HydrophobicContact CB-CB 3.74Å; G403-D405 PolarHBondContact O-N 3.2Å; G403-D405 VanDerWaalsContact O-N 3.09Å; D405-T407 VanDerWaalsContact C-N 3.26Å; D405-T407 PolarHBondContact O-N 2.95Å; D405-T407 PolarHBondContact OD1-N 2.84Å; D405-T407 PolarHBondContact OD1-OG1 2.9Å; D405-T407 PolarHBondContact OD2-OG1 3.42Å; D405-T407 VanDerWaalsContact OD2-OG1 3.11Å; D405-R409 IonicContact OD2-CZ 3.81Å; D405-R409 IonicContact OD2-NE 2.82Å; D405-R409 IonicContact OD2-NH2 3.84Å; D405-R409 PolarHBondContact OD2-NH2 3.15Å |
| 406 | Q | 95 | Very high | 95.3 | Very high | 67 Ų | 67 | 15.8 Ų | 15.8 | 31% | 0.313 | 7% | 0.07 | S | C | . | . | S | Bend | trans | 68.9 | 23.7 | 174.3 | -43.3 | 179.6 | -13.1 | 0 | 0 | 112.9 | G403 H433 D436 | G403-Q406 PolarHBondContact O-N 3.19Å; G403-Q406 VanDerWaalsContact O-N 3.07Å; Q406-H433 HydrophobicContact CB-CB 4.35Å; Q406-H433 VanDerWaalsContact CB-O 3.26Å; Q406-H433 WeakPolarHBondContact CB-O 3.44Å; Q406-H433 WeakPolarHBondContact O-CB 3.22Å; Q406-H433 PolarHBondContact O-N 2.86Å; Q406-H433 PolarHBondContact OE1-O 3.23Å; Q406-H433 VanDerWaalsContact OE1-O 3.12Å; Q406-D436 PolarHBondContact NE2-OD1 2.81Å |
| 407 | T | 95.8 | Very high | 94.3 | Very high | 7 Ų | 7 | 24.8 Ų | 24.8 | 4% | 0.043 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 151.1 | -179.9 | 67.4 | 0 | 0 | 0 | 0 | 112.4 | H383 V402 G403 D405 R409 Q431 | H383-T407 PolarHBondContact CE1-O 2.79Å; H383-T407 PolarHBondContact CE1-OG1 2.83Å; H383-T407 VanDerWaalsContact CE1-OG1 3.27Å; H383-T407 PolarHBondContact ND1-OG1 3.34Å; V402-T407 WeakPolarHBondContact CA-O 3.09Å; G403-T407 PolarHBondContact N-O 3.37Å; G403-T407 VanDerWaalsContact N-O 3.13Å; D405-T407 VanDerWaalsContact C-N 3.26Å; D405-T407 PolarHBondContact O-N 2.95Å; D405-T407 PolarHBondContact OD1-N 2.84Å; D405-T407 PolarHBondContact OD1-OG1 2.9Å; D405-T407 PolarHBondContact OD2-OG1 3.42Å; D405-T407 VanDerWaalsContact OD2-OG1 3.11Å; T407-R409 PolarHBondContact OG1-NE 3.17Å; T407-R409 VanDerWaalsContact OG1-NE 3.11Å; T407-Q431 WeakPolarHBondContact CA-O 3.15Å |
| 408 | T | 98 | Very high | 93 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129 | 160.3 | -57.9 | 0 | 0 | 0 | 0 | 107.6 | L400 S401 V402 R429 P430 Q431 F448 | L400-T408 HydrophobicContact CD2-CG2 3.91Å; S401-T408 CarbonylContact O-C 3.56Å; S401-T408 VanDerWaalsContact O-CA 3.28Å; S401-T408 WeakPolarHBondContact O-CA 3.34Å; V402-T408 HydrophobicContact CG1-CG2 4.03Å; V402-T408 WeakPolarHBondContact CG1-OG1 3.19Å; T408-R429 CarbonylContact O-C 3.5Å; T408-R429 WeakPolarHBondContact O-CA 3.34Å; T408-R429 WeakPolarHBondContact O-CG 3.49Å; T408-P430 HydrophobicContact CG2-CB 4.39Å; T408-P430 HydrophobicContact CG2-CG 4.39Å; T408-P430 VanDerWaalsContact O-CD 3.24Å; T408-P430 WeakPolarHBondContact O-CD 3.44Å; T408-Q431 PolarHBondContact N-O 2.87Å; T408-Q431 PolarHBondContact OG1-OE1 2.98Å; T408-Q431 VanDerWaalsContact OG1-OE1 3.11Å; T408-F448 HydrophobicContact CG2-CE1 4.49Å; T408-F448 HydrophobicContact CG2-CE2 4.12Å; T408-F448 HydrophobicContact CG2-CZ 3.88Å |
| 409 | R | 98.1 | Very high | 92 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 2% | 0.023 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 141.9 | -174.6 | -62 | -179.9 | -177.9 | -121.7 | 6.8 | 111.4 | S381 G382 L400 S401 D405 T407 F411 E426 R429 | S381-R409 PolarHBondContact OG-NH1 3.42Å; G382-R409 VanDerWaalsContact C-CZ 3.43Å; G382-R409 PolarHBondContact O-NH1 2.9Å; G382-R409 PolarHBondContact O-NH2 2.63Å; G382-R409 VanDerWaalsContact O-NH2 3.07Å; L400-R409 WeakPolarHBondContact CA-O 3.22Å; S401-R409 PolarHBondContact N-O 3.1Å; S401-R409 PolarHBondContact O-N 2.86Å; D405-R409 IonicContact OD2-CZ 3.81Å; D405-R409 IonicContact OD2-NE 2.82Å; D405-R409 IonicContact OD2-NH2 3.84Å; D405-R409 PolarHBondContact OD2-NH2 3.15Å; T407-R409 PolarHBondContact OG1-NE 3.17Å; T407-R409 VanDerWaalsContact OG1-NE 3.11Å; R409-F411 HydrophobicContact CB-CE2 3.67Å; R409-F411 HydrophobicContact CB-CZ 3.87Å; R409-E426 HydrophobicContact CB-CG 4.43Å; R409-E426 WeakPolarHBondContact CD-OE2 3.49Å; R409-E426 IonicContact CZ-OE2 3.69Å; R409-E426 IonicContact NE-OE2 3.86Å; R409-E426 IonicContact NH1-OE1 3.32Å; R409-E426 IonicContact NH1-OE2 2.92Å; R409-E426 PolarHBondContact NH1-OE2 2.91Å; R409-R429 VanDerWaalsContact NH1-NH2 3.15Å |
| 410 | L | 98.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.8 | -178.6 | -167.6 | 155 | 0 | 0 | 0 | 111.1 | F398 V399 L400 E426 I427 S428 F466 W554 | F398-L410 HydrophobicContact CB-CD2 3.84Å; F398-L410 HydrophobicContact CB-CG 4.39Å; F398-L410 HydrophobicContact CD2-CD1 3.57Å; F398-L410 HydrophobicContact CD2-CD2 3.88Å; F398-L410 HydrophobicContact CD2-CG 3.54Å; F398-L410 HydrophobicContact CE2-CD1 3.46Å; F398-L410 VanDerWaalsContact CE2-CD1 3.46Å; F398-L410 HydrophobicContact CE2-CG 3.97Å; F398-L410 HydrophobicContact CG-CD1 4.21Å; F398-L410 HydrophobicContact CG-CD2 3.9Å; F398-L410 HydrophobicContact CG-CG 4.11Å; F398-L410 HydrophobicContact CZ-CD1 4Å; V399-L410 WeakPolarHBondContact O-CA 3.47Å; L400-L410 HydrophobicContact CD2-CB 3.62Å; L400-L410 HydrophobicContact CD2-CD1 3.89Å; L400-L410 HydrophobicContact CD2-CG 3.93Å; L400-L410 HydrophobicContact CG-CB 4.46Å; L400-L410 HydrophobicContact CG-CD1 4.2Å; L400-L410 HydrophobicContact CG-CG 4.28Å; L410-E426 VanDerWaalsContact O-CA 3.3Å; L410-E426 WeakPolarHBondContact O-CA 3.19Å; L410-I427 HydrophobicContact CD2-CD1 3.78Å; L410-I427 HydrophobicContact CD2-CG1 3.5Å; L410-I427 VanDerWaalsContact CD2-CG1 3.5Å; L410-I427 PolarHBondContact O-N 3.37Å; L410-S428 WeakPolarHBondContact CB-O 3.09Å; L410-S428 PolarHBondContact N-O 2.85Å; L410-F466 HydrophobicContact CD1-CE1 4.41Å; L410-F466 HydrophobicContact CD1-CE2 4.04Å; L410-F466 HydrophobicContact CD1-CZ 3.53Å; L410-F466 HydrophobicContact CD2-CE2 4.42Å; L410-F466 HydrophobicContact CD2-CZ 4.19Å; L410-W554 HydrophobicContact CD1-CH2 4.21Å; L410-W554 HydrophobicContact CD1-CZ2 3.76Å |
| 411 | F | 97.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 132.6 | -179.8 | -56.5 | -87.2 | 0 | 0 | 0 | 111.9 | H10 A12 F398 V399 R409 W424 H425 E426 V829 | H10-F411 AromaticContact NE2-CD1 3.75Å; A12-F411 HydrophobicContact CB-CD1 4.16Å; A12-F411 HydrophobicContact CB-CE1 3.49Å; A12-F411 VanDerWaalsContact CB-CE1 3.49Å; A12-F411 HydrophobicContact CB-CE2 4.34Å; A12-F411 HydrophobicContact CB-CZ 3.61Å; F398-F411 CarbonylContact C-O 3.58Å; F398-F411 VanDerWaalsContact CA-O 3.26Å; F398-F411 WeakPolarHBondContact CA-O 3.32Å; F398-F411 VanDerWaalsContact CB-O 3.25Å; F398-F411 WeakPolarHBondContact CB-O 3.37Å; V399-F411 PolarHBondContact N-O 3.12Å; V399-F411 PolarHBondContact O-N 2.97Å; R409-F411 HydrophobicContact CB-CE2 3.67Å; R409-F411 HydrophobicContact CB-CZ 3.87Å; F411-W424 HydrophobicContact CB-CE3 4.26Å; F411-W424 WeakPolarHBondContact O-CZ3 3.28Å; F411-H425 VanDerWaalsContact CA-O 3.28Å; F411-H425 WeakPolarHBondContact CA-O 3.44Å; F411-E426 HydrophobicContact CD1-CB 3.96Å; F411-E426 HydrophobicContact CE1-CB 3.71Å; F411-E426 HydrophobicContact CE1-CG 4.27Å; F411-E426 HydrophobicContact CZ-CB 4.47Å; F411-V829 HydrophobicContact CE2-CG2 4.44Å |
| 412 | T | 96.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.006 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 154.7 | 177.2 | -173.2 | 0 | 0 | 0 | 0 | 110.9 | E397 W424 H425 I427 F470 I473 | E397-T412 PolarHBondContact O-OG1 3.41Å; T412-W424 WeakPolarHBondContact O-CA 3.37Å; T412-H425 PolarHBondContact N-O 2.81Å; T412-H425 PolarHBondContact O-N 3.45Å; T412-I427 HydrophobicContact CG2-CB 4.29Å; T412-I427 HydrophobicContact CG2-CD1 3.62Å; T412-I427 HydrophobicContact CG2-CG1 3.76Å; T412-I427 HydrophobicContact CG2-CG2 3.57Å; T412-F470 HydrophobicContact CG2-CE2 4.46Å; T412-I473 HydrophobicContact CG2-CG2 4.39Å |
| 413 | P | 94.2 | Very high | 88.9 | Confident | 8 Ų | 8 | 49 Ų | 49 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 141 | 165.6 | -16.4 | 29.3 | 0 | 0 | 0 | 111.2 | E397 A422 T423 W424 A794 | E397-P413 VanDerWaalsContact O-CD 3.26Å; E397-P413 WeakPolarHBondContact O-CD 3.07Å; P413-A422 HydrophobicContact CB-CB 4.3Å; P413-T423 CarbonylContact C-O 3.6Å; P413-T423 WeakPolarHBondContact CA-O 3.47Å; P413-W424 HydrophobicContact CG-CD2 3.99Å; P413-W424 HydrophobicContact CG-CE3 4.26Å; P413-W424 HydrophobicContact CG-CH2 3.94Å; P413-W424 HydrophobicContact CG-CZ2 3.68Å; P413-W424 HydrophobicContact CG-CZ3 4.23Å; P413-A794 HydrophobicContact CG-CB 3.72Å |
| 414 | W | 93.1 | Very high | 88.8 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 7% | 0.068 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 143.5 | 170.5 | 169.1 | 62.7 | 0 | 0 | 0 | 109.3 | K416 A422 T423 H425 I473 T540 E541 P542 | W414-K416 HydrophobicContact CH2-CB 3.67Å; W414-K416 HydrophobicContact CH2-CD 4.36Å; W414-K416 HydrophobicContact CH2-CG 3.88Å; W414-K416 HydrophobicContact CZ2-CB 3.98Å; W414-K416 HydrophobicContact CZ2-CG 4.25Å; W414-K416 HydrophobicContact CZ3-CB 4.19Å; W414-A422 WeakPolarHBondContact O-CA 3.33Å; W414-T423 PolarHBondContact N-O 2.79Å; W414-T423 PolarHBondContact O-N 3.26Å; W414-H425 AromaticContact CE3-CD2 3.76Å; W414-H425 AromaticContact CE3-NE2 3.69Å; W414-I473 HydrophobicContact CB-CG2 3.88Å; W414-I473 HydrophobicContact CG-CG2 4Å; W414-T540 PolarHBondContact NE1-O 2.72Å; W414-E541 HydrophobicContact CH2-CB 4.26Å; W414-E541 HydrophobicContact CZ2-CB 3.58Å; W414-P542 HydrophobicContact CB-CG 4.04Å; W414-P542 HydrophobicContact CD2-CG 3.77Å; W414-P542 HydrophobicContact CE3-CG 3.77Å; W414-P542 HydrophobicContact CG-CG 3.89Å |
| 415 | R | 87.4 | Confident | 88.7 | Confident | 101 Ų | 101 | 49 Ų | 49 | 38% | 0.381 | 23% | 0.229 | S | C | . | . | trans | -116.5 | 109.3 | 178.7 | -175.8 | -179.5 | -64.9 | -84.7 | -1.1 | 109.2 | K420 G795 | R415-K420 PolarHBondContact NH1-O 2.89Å; R415-G795 PolarHBondContact NH2-O 3.35Å | ||
| 416 | K | 80.9 | Confident | 88.9 | Confident | 74 Ų | 74 | 49 Ų | 49 | 32% | 0.322 | 23% | 0.229 | S | C | . | . | trans | -60.7 | 137.6 | 168.9 | -170.6 | 179.3 | -179.3 | -174.8 | 0 | 109.3 | W414 D418 S419 | W414-K416 HydrophobicContact CH2-CB 3.67Å; W414-K416 HydrophobicContact CH2-CD 4.36Å; W414-K416 HydrophobicContact CH2-CG 3.88Å; W414-K416 HydrophobicContact CZ2-CB 3.98Å; W414-K416 HydrophobicContact CZ2-CG 4.25Å; W414-K416 HydrophobicContact CZ3-CB 4.19Å; K416-D418 PolarHBondContact O-N 3.01Å; K416-D418 VanDerWaalsContact O-N 3.09Å; K416-S419 PolarHBondContact O-N 2.98Å | ||
| 417 | Q | 72.6 | Confident | 89 | Confident | 190 Ų | 190 | 46 Ų | 46 | 89% | 0.888 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -36.4 | -174.7 | -70.4 | -178.9 | -3.6 | 0 | 0 | 113.2 | ||
| 418 | D | 67.7 | Low | 89 | Confident | 146 Ų | 146 | 45.7 Ų | 45.7 | 78% | 0.781 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 0.2 | -179.4 | -53 | -46.2 | 0 | 0 | 0 | 114.6 | K416 | K416-D418 PolarHBondContact O-N 3.01Å; K416-D418 VanDerWaalsContact O-N 3.09Å |
| 419 | S | 73.9 | Confident | 88.9 | Confident | 46 Ų | 46 | 46 Ų | 46 | 32% | 0.322 | 21% | 0.214 | S | C | . | . | trans | -102.2 | 129.3 | -176 | -178.9 | 0 | 0 | 0 | 0 | 112.4 | K416 R421 | K416-S419 PolarHBondContact O-N 2.98Å; S419-R421 PolarHBondContact O-N 2.85Å; S419-R421 PolarHBondContact OG-N 3.5Å; S419-R421 VanDerWaalsContact OG-N 3.09Å; S419-R421 PolarHBondContact OG-O 3.31Å | ||
| 420 | K | 69.8 | Low | 88.8 | Confident | 203 Ų | 203 | 45.7 Ų | 45.7 | 88% | 0.883 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -68.5 | -19 | 170.3 | -65.2 | -174.1 | 179.4 | -178.3 | 0 | 112.8 | R415 | R415-K420 PolarHBondContact NH1-O 2.89Š|
| 421 | R | 79.7 | Confident | 88.6 | Confident | 111 Ų | 111 | 45.8 Ų | 45.8 | 42% | 0.419 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -113.1 | 131.4 | -173.6 | -176.3 | 176.2 | 179.5 | 176.1 | 1.6 | 111.2 | R47 S419 | R47-R421 VanDerWaalsContact CZ-NH1 3.29Å; S419-R421 PolarHBondContact O-N 2.85Å; S419-R421 PolarHBondContact OG-N 3.5Å; S419-R421 VanDerWaalsContact OG-N 3.09Å; S419-R421 PolarHBondContact OG-O 3.31Å |
| 422 | A | 87 | Confident | 88.3 | Confident | 14 Ų | 14 | 48.6 Ų | 48.6 | 12% | 0.116 | 23% | 0.228 | C | C | . | . | trans | -76.4 | 138.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | P413 W414 | P413-A422 HydrophobicContact CB-CB 4.3Å; W414-A422 WeakPolarHBondContact O-CA 3.33Å | ||
| 423 | T | 92.1 | Very high | 87.9 | Confident | 17 Ų | 17 | 49.3 Ų | 49.3 | 10% | 0.104 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 155.1 | 173.4 | 49.1 | 0 | 0 | 0 | 0 | 109.5 | R47 P413 W414 H425 | R47-T423 HydrophobicContact CB-CG2 4.41Å; P413-T423 CarbonylContact C-O 3.6Å; P413-T423 WeakPolarHBondContact CA-O 3.47Å; W414-T423 PolarHBondContact N-O 2.79Å; W414-T423 PolarHBondContact O-N 3.26Å; T423-H425 PolarHBondContact O-CD2 2.73Å; T423-H425 PolarHBondContact OG1-NE2 3.24Å |
| 424 | W | 94.9 | Very high | 87.6 | Confident | 7 Ų | 7 | 50.8 Ų | 50.8 | 3% | 0.027 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 137.1 | -176 | -75.4 | 76.8 | 0 | 0 | 0 | 110.7 | C9 H10 W392 V399 F411 T412 P413 A794 I831 | C9-W424 PolarHBondContact SG-NE1 2.82Å; C9-W424 VanDerWaalsContact SG-NE1 3.38Å; H10-W424 HydrophobicContact CB-CB 3.7Å; H10-W424 HydrophobicContact CB-CG 3.85Å; H10-W424 PolarHBondContact CE1-O 2.59Å; H10-W424 WeakPolarHBondContact ND1-CB 3.45Å; H10-W424 PolarHBondContact ND1-O 3.41Å; W392-W424 AromaticContact CH2-CH2 3.66Å; W392-W424 HydrophobicContact CH2-CH2 3.66Å; W392-W424 HydrophobicContact CH2-CZ2 4.17Å; W392-W424 AromaticContact CZ3-CH2 3.66Å; W392-W424 HydrophobicContact CZ3-CH2 3.66Å; W392-W424 HydrophobicContact CZ3-CZ2 4.48Å; V399-W424 HydrophobicContact CG2-CZ3 4.39Å; F411-W424 HydrophobicContact CB-CE3 4.26Å; F411-W424 WeakPolarHBondContact O-CZ3 3.28Å; T412-W424 WeakPolarHBondContact O-CA 3.37Å; P413-W424 HydrophobicContact CG-CD2 3.99Å; P413-W424 HydrophobicContact CG-CE3 4.26Å; P413-W424 HydrophobicContact CG-CH2 3.94Å; P413-W424 HydrophobicContact CG-CZ2 3.68Å; P413-W424 HydrophobicContact CG-CZ3 4.23Å; W424-A794 HydrophobicContact CH2-CB 3.97Å; W424-A794 HydrophobicContact CZ2-CB 3.75Å; W424-I831 HydrophobicContact CD2-CD1 3.6Å; W424-I831 HydrophobicContact CE3-CD1 3.41Å; W424-I831 VanDerWaalsContact CE3-CD1 3.41Å; W424-I831 HydrophobicContact CG-CD1 4.37Å; W424-I831 HydrophobicContact CH2-CD1 3.69Å; W424-I831 HydrophobicContact CZ2-CD1 3.84Å; W424-I831 HydrophobicContact CZ2-CG2 4.31Å; W424-I831 HydrophobicContact CZ3-CD1 3.46Å; W424-I831 VanDerWaalsContact CZ3-CD1 3.46Å |
| 425 | H | 96.4 | Very high | 87.6 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.019 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 152.3 | -176 | -63.1 | -84.3 | 0 | 0 | 0 | 111.5 | R46 F411 T412 W414 T423 P542 | R46-H425 PolarHBondContact O-CE1 3.39Å; F411-H425 VanDerWaalsContact CA-O 3.28Å; F411-H425 WeakPolarHBondContact CA-O 3.44Å; T412-H425 PolarHBondContact N-O 2.81Å; T412-H425 PolarHBondContact O-N 3.45Å; W414-H425 AromaticContact CE3-CD2 3.76Å; W414-H425 AromaticContact CE3-NE2 3.69Å; T423-H425 PolarHBondContact O-CD2 2.73Å; T423-H425 PolarHBondContact OG1-NE2 3.24Å; H425-P542 HydrophobicContact CB-CB 3.71Å; H425-P542 HydrophobicContact CB-CG 3.51Å |
| 426 | E | 97.6 | Very high | 88 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 129 | 166 | -168.9 | 176 | 154.3 | 0 | 0 | 108.3 | S381 R409 L410 F411 R429 L548 | S381-E426 VanDerWaalsContact CB-OE2 3.28Å; S381-E426 WeakPolarHBondContact CB-OE2 3.49Å; S381-E426 PolarHBondContact OG-OE2 3.46Å; S381-E426 VanDerWaalsContact OG-OE2 3.08Å; R409-E426 HydrophobicContact CB-CG 4.43Å; R409-E426 WeakPolarHBondContact CD-OE2 3.49Å; R409-E426 IonicContact CZ-OE2 3.69Å; R409-E426 IonicContact NE-OE2 3.86Å; R409-E426 IonicContact NH1-OE1 3.32Å; R409-E426 IonicContact NH1-OE2 2.92Å; R409-E426 PolarHBondContact NH1-OE2 2.91Å; L410-E426 VanDerWaalsContact O-CA 3.3Å; L410-E426 WeakPolarHBondContact O-CA 3.19Å; F411-E426 HydrophobicContact CD1-CB 3.96Å; F411-E426 HydrophobicContact CE1-CB 3.71Å; F411-E426 HydrophobicContact CE1-CG 4.27Å; F411-E426 HydrophobicContact CZ-CB 4.47Å; E426-R429 IonicContact OE1-CZ 3.67Å; E426-R429 IonicContact OE1-NE 3.25Å; E426-R429 PolarHBondContact OE1-NE 2.89Å; E426-R429 IonicContact OE1-NH2 3.56Å; E426-R429 PolarHBondContact OE1-NH2 2.87Å; E426-R429 VanDerWaalsContact OE1-NH2 3.15Å; E426-R429 IonicContact OE2-NH2 3.2Å; E426-L548 HydrophobicContact CB-CD1 4.27Å; E426-L548 HydrophobicContact CG-CD1 4.08Å; E426-L548 HydrophobicContact CG-CD2 3.92Å |
| 427 | I | 96.9 | Very high | 88.8 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | -10.6 | 177.9 | 64.1 | 151.7 | 0 | 0 | 0 | 113.5 | L410 T412 F466 F470 I473 P542 | L410-I427 HydrophobicContact CD2-CD1 3.78Å; L410-I427 HydrophobicContact CD2-CG1 3.5Å; L410-I427 VanDerWaalsContact CD2-CG1 3.5Å; L410-I427 PolarHBondContact O-N 3.37Å; T412-I427 HydrophobicContact CG2-CB 4.29Å; T412-I427 HydrophobicContact CG2-CD1 3.62Å; T412-I427 HydrophobicContact CG2-CG1 3.76Å; T412-I427 HydrophobicContact CG2-CG2 3.57Å; I427-F466 HydrophobicContact CD1-CE2 3.77Å; I427-F466 HydrophobicContact CD1-CZ 4.14Å; I427-F466 HydrophobicContact CG1-CE2 4.28Å; I427-F470 HydrophobicContact CD1-CB 4.25Å; I427-F470 HydrophobicContact CD1-CD2 3.64Å; I427-F470 HydrophobicContact CD1-CG 4.43Å; I427-I473 HydrophobicContact CB-CD1 4.31Å; I427-I473 HydrophobicContact CG2-CD1 4.07Å; I427-I473 HydrophobicContact CG2-CG2 4.04Å; I427-P542 HydrophobicContact CG2-CB 4.33Å |
| 428 | S | 96.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 143.7 | 177.9 | 168.9 | 0 | 0 | 0 | 0 | 110 | L410 P430 T552 W554 | L410-S428 WeakPolarHBondContact CB-O 3.09Å; L410-S428 PolarHBondContact N-O 2.85Å; S428-P430 VanDerWaalsContact C-CD 3.46Å; S428-P430 WeakPolarHBondContact O-CD 3.42Å; S428-P430 WeakPolarHBondContact OG-CD 3.48Å; S428-T552 WeakPolarHBondContact CA-OG1 3.4Å; S428-T552 PolarHBondContact OG-O 3.48Å; S428-W554 PolarHBondContact OG-NE1 3.3Å |
| 429 | R | 95.6 | Very high | 91.3 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 2% | 0.023 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 80.8 | 168.2 | -166.4 | 171.3 | -64.6 | 166.6 | 5.8 | 108.3 | T408 R409 E426 Q431 I432 E545 T552 L553 | T408-R429 CarbonylContact O-C 3.5Å; T408-R429 WeakPolarHBondContact O-CA 3.34Å; T408-R429 WeakPolarHBondContact O-CG 3.49Å; R409-R429 VanDerWaalsContact NH1-NH2 3.15Å; E426-R429 IonicContact OE1-CZ 3.67Å; E426-R429 IonicContact OE1-NE 3.25Å; E426-R429 PolarHBondContact OE1-NE 2.89Å; E426-R429 IonicContact OE1-NH2 3.56Å; E426-R429 PolarHBondContact OE1-NH2 2.87Å; E426-R429 VanDerWaalsContact OE1-NH2 3.15Å; E426-R429 IonicContact OE2-NH2 3.2Å; R429-Q431 PolarHBondContact O-N 3.46Å; R429-I432 HydrophobicContact CG-CG1 3.98Å; R429-E545 IonicContact CZ-OE1 3.68Å; R429-E545 VanDerWaalsContact CZ-OE1 3.24Å; R429-E545 IonicContact CZ-OE2 2.96Å; R429-E545 IonicContact NH1-OE1 2.8Å; R429-E545 PolarHBondContact NH1-OE1 2.92Å; R429-E545 VanDerWaalsContact NH2-CD 3.28Å; R429-E545 IonicContact NH2-OE1 2.85Å; R429-E545 PolarHBondContact NH2-OE1 3.47Å; R429-E545 IonicContact NH2-OE2 3.5Å; R429-E545 PolarHBondContact NH2-OE2 3Å; R429-T552 PolarHBondContact N-OG1 3.41Å; R429-L553 WeakPolarHBondContact O-CD2 3.27Å |
| 430 | P | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.1 | -29.2 | -172.2 | -32.5 | 37.6 | 0 | 0 | 0 | 115.2 | L400 T408 S428 F448 N503 W554 | L400-P430 HydrophobicContact CD2-CG 3.96Å; T408-P430 HydrophobicContact CG2-CB 4.39Å; T408-P430 HydrophobicContact CG2-CG 4.39Å; T408-P430 VanDerWaalsContact O-CD 3.24Å; T408-P430 WeakPolarHBondContact O-CD 3.44Å; S428-P430 VanDerWaalsContact C-CD 3.46Å; S428-P430 WeakPolarHBondContact O-CD 3.42Å; S428-P430 WeakPolarHBondContact OG-CD 3.48Å; P430-F448 HydrophobicContact CB-CE1 3.67Å; P430-F448 HydrophobicContact CB-CZ 3.81Å; P430-F448 HydrophobicContact CG-CE1 4.22Å; P430-N503 PolarHBondContact O-ND2 2.78Å; P430-W554 HydrophobicContact CB-CB 3.91Å; P430-W554 HydrophobicContact CB-CD2 3.76Å; P430-W554 HydrophobicContact CB-CE3 4.31Å; P430-W554 HydrophobicContact CB-CG 3.58Å; P430-W554 HydrophobicContact CG-CD2 3.92Å; P430-W554 HydrophobicContact CG-CG 4.08Å; P430-W554 HydrophobicContact CG-CZ2 4.2Å; P430-W554 PolarHBondContact O-N 3.5Å |
| 431 | Q | 93.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.009 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 128.7 | -174.5 | -171.9 | -179.5 | 6.9 | 0 | 0 | 109.8 | T407 T408 R429 H433 S450 F460 | T407-Q431 WeakPolarHBondContact CA-O 3.15Å; T408-Q431 PolarHBondContact N-O 2.87Å; T408-Q431 PolarHBondContact OG1-OE1 2.98Å; T408-Q431 VanDerWaalsContact OG1-OE1 3.11Å; R429-Q431 PolarHBondContact O-N 3.46Å; Q431-H433 HydrophobicContact CG-CB 4.35Å; Q431-H433 PolarHBondContact NE2-CD2 3.32Å; Q431-S450 PolarHBondContact OE1-OG 2.68Å; Q431-F460 HydrophobicContact CB-CE1 4.47Å; Q431-F460 HydrophobicContact CB-CZ 4.26Å; Q431-F460 HydrophobicContact CG-CE1 4.19Å; Q431-F460 HydrophobicContact CG-CE2 4.06Å; Q431-F460 HydrophobicContact CG-CZ 3.64Å |
| 432 | I | 91.3 | Very high | 94.6 | Very high | 60 Ų | 60 | 17.8 Ų | 17.8 | 31% | 0.308 | 10% | 0.098 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 122.5 | 161.9 | -56.6 | 171 | 0 | 0 | 0 | 105.2 | R429 L549 L553 | R429-I432 HydrophobicContact CG-CG1 3.98Å; I432-L549 HydrophobicContact CD1-CB 4.46Å; I432-L549 HydrophobicContact CD1-CD2 3.68Å; I432-L549 WeakPolarHBondContact CD1-O 3.44Å; I432-L553 HydrophobicContact CD1-CD2 4.01Å; I432-L553 HydrophobicContact CG1-CD2 4.03Å |
| 433 | H | 87.9 | Confident | 95 | Very high | 16 Ų | 16 | 17.5 Ų | 17.5 | 7% | 0.074 | 9% | 0.094 | C | C | . | . | trans | -119.7 | 168.3 | -167 | -154.2 | -104.7 | 0 | 0 | 0 | 110.9 | Q406 Q431 Y435 M437 E454 R458 | Q406-H433 HydrophobicContact CB-CB 4.35Å; Q406-H433 VanDerWaalsContact CB-O 3.26Å; Q406-H433 WeakPolarHBondContact CB-O 3.44Å; Q406-H433 WeakPolarHBondContact O-CB 3.22Å; Q406-H433 PolarHBondContact O-N 2.86Å; Q406-H433 PolarHBondContact OE1-O 3.23Å; Q406-H433 VanDerWaalsContact OE1-O 3.12Å; Q431-H433 HydrophobicContact CG-CB 4.35Å; Q431-H433 PolarHBondContact NE2-CD2 3.32Å; H433-Y435 AromaticContact CE1-CD2 3.63Å; H433-Y435 AromaticContact ND1-CD2 3.85Å; H433-Y435 PolarHBondContact ND1-N 2.72Å; H433-Y435 VanDerWaalsContact ND1-N 3.16Å; H433-Y435 PolarHBondContact ND1-O 2.93Å; H433-M437 HydrophobicContact CB-SD 3.82Å; H433-E454 IonicContact CE1-OE2 2.81Å; H433-E454 PolarHBondContact CE1-OE2 3.36Å; H433-E454 IonicContact NE2-OE2 3.92Å; H433-E454 PolarHBondContact NE2-OE2 2.91Å; H433-R458 VanDerWaalsContact NE2-CZ 3.32Å; H433-R458 PolarHBondContact NE2-NH1 3.33Å; H433-R458 VanDerWaalsContact NE2-NH1 3.18Å | ||
| 434 | G | 88.9 | Confident | 95 | Very high | 39 Ų | 39 | 17.6 Ų | 17.6 | 40% | 0.402 | 10% | 0.099 | S | C | . | . | S | Bend | trans | -99.3 | 2.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 435 | Y | 92.9 | Very high | 94.7 | Very high | 98 Ų | 98 | 19.3 Ų | 19.3 | 38% | 0.384 | 11% | 0.105 | S | C | . | . | S | Bend | trans | -136.5 | 148.9 | -176.7 | -62.9 | -91.3 | 0 | 0 | 0 | 110.1 | H433 M437 E454 L501 | H433-Y435 AromaticContact CE1-CD2 3.63Å; H433-Y435 AromaticContact ND1-CD2 3.85Å; H433-Y435 PolarHBondContact ND1-N 2.72Å; H433-Y435 VanDerWaalsContact ND1-N 3.16Å; H433-Y435 PolarHBondContact ND1-O 2.93Å; Y435-M437 PolarHBondContact O-N 3.45Å; Y435-E454 HydrophobicContact CD1-CB 4.44Å; Y435-E454 HydrophobicContact CD2-CB 3.8Å; Y435-E454 HydrophobicContact CD2-CG 3.82Å; Y435-E454 WeakPolarHBondContact CD2-OE2 3.48Å; Y435-E454 HydrophobicContact CE2-CB 4.05Å; Y435-E454 HydrophobicContact CE2-CG 3.54Å; Y435-E454 HydrophobicContact CG-CB 4.01Å; Y435-E454 HydrophobicContact CG-CG 4.43Å; Y435-L501 HydrophobicContact CE2-CD1 4.43Å |
| 436 | D | 95.9 | Very high | 94.6 | Very high | 52 Ų | 52 | 19.6 Ų | 19.6 | 28% | 0.278 | 11% | 0.106 | S | C | . | . | trans | -60.4 | 124.6 | 178.2 | -68 | 13.7 | 0 | 0 | 0 | 110.6 | Q406 A452 D453 | Q406-D436 PolarHBondContact NE2-OD1 2.81Å; D436-A452 WeakPolarHBondContact O-CA 3.29Å; D436-A452 WeakPolarHBondContact O-CB 3.45Å; D436-D453 PolarHBondContact O-N 2.89Å; D436-D453 VanDerWaalsContact O-N 3.09Å | ||
| 437 | M | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 141.3 | 179 | -53.9 | -62.6 | -62 | 0 | 0 | 109.8 | Q388 V402 G403 H433 Y435 S450 A452 | Q388-M437 VanDerWaalsContact CG-O 3.24Å; Q388-M437 WeakPolarHBondContact CG-O 3.42Å; V402-M437 HydrophobicContact CB-CB 3.69Å; V402-M437 HydrophobicContact CB-CG 4.42Å; V402-M437 HydrophobicContact CG1-CB 4.3Å; V402-M437 HydrophobicContact CG1-CE 4.28Å; V402-M437 HydrophobicContact CG2-CB 4.28Å; G403-M437 VanDerWaalsContact O-CB 3.31Å; G403-M437 WeakPolarHBondContact O-CB 3.41Å; G403-M437 PolarHBondContact O-N 2.68Å; H433-M437 HydrophobicContact CB-SD 3.82Å; Y435-M437 PolarHBondContact O-N 3.45Å; M437-S450 VanDerWaalsContact CE-CB 3.48Å; M437-S450 WeakPolarHBondContact CE-OG 3.34Å; M437-A452 HydrophobicContact CE-CB 4.43Å; M437-A452 HydrophobicContact SD-CB 3.79Å |
| 438 | Q | 96.7 | Very high | 94.6 | Very high | 29 Ų | 29 | 21 Ų | 21 | 14% | 0.136 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | -37.1 | -173.8 | -62.5 | -64.1 | -18 | 0 | 0 | 113 | Q388 G451 D453 M567 | Q388-Q438 VanDerWaalsContact CB-O 3.32Å; Q388-Q438 WeakPolarHBondContact CB-O 3.45Å; Q438-G451 PolarHBondContact N-O 2.8Å; Q438-D453 PolarHBondContact NE2-OD1 2.81Å; Q438-D453 PolarHBondContact NE2-OD2 2.89Å; Q438-D453 VanDerWaalsContact NE2-OD2 3.1Å; Q438-M567 WeakPolarHBondContact CB-O 3.27Å; Q438-M567 WeakPolarHBondContact CG-O 3.27Å |
| 439 | C | 97.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 155.5 | -173 | 53.5 | 0 | 0 | 0 | 0 | 112.6 | S450 G451 L570 | C439-S450 WeakPolarHBondContact O-CA 3.42Å; C439-G451 PolarHBondContact N-O 3.02Å; C439-G451 PolarHBondContact O-N 2.87Å; C439-L570 HydrophobicContact CB-CB 4.35Å; C439-L570 HydrophobicContact CB-CD1 4.24Å; C439-L570 HydrophobicContact CB-CG 4.22Å; C439-L570 VanDerWaalsContact SG-CD1 3.59Å |
| 440 | L | 97.7 | Very high | 94.7 | Very high | 4 Ų | 4 | 20.8 Ų | 20.8 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 153.8 | 175.2 | 77.7 | 86.8 | 0 | 0 | 0 | 111.6 | D389 S391 L400 V402 V449 | D389-L440 HydrophobicContact CB-CG 4.49Å; D389-L440 PolarHBondContact OD2-N 3.07Å; S391-L440 VanDerWaalsContact CB-CD1 3.42Å; L400-L440 HydrophobicContact CB-CD2 4.4Å; V402-L440 HydrophobicContact CB-CD2 4.14Å; V402-L440 HydrophobicContact CG1-CB 4Å; V402-L440 HydrophobicContact CG1-CD2 3.58Å; V402-L440 HydrophobicContact CG1-CG 4.4Å; V402-L440 HydrophobicContact CG2-CB 4.32Å; V402-L440 HydrophobicContact CG2-CD2 3.92Å; V402-L440 HydrophobicContact CG2-CG 4.44Å; L440-V449 CarbonylContact C-O 3.6Å; L440-V449 VanDerWaalsContact CA-O 3.29Å; L440-V449 WeakPolarHBondContact CA-O 3.41Å |
| 441 | A | 97.6 | Very high | 94.8 | Very high | 6 Ų | 6 | 20.8 Ų | 20.8 | 5% | 0.05 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 130.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V443 F448 V449 L570 | A441-V443 PolarHBondContact O-N 3.05Å; A441-F448 WeakPolarHBondContact O-CA 3.28Å; A441-V449 PolarHBondContact N-O 3.2Å; A441-V449 PolarHBondContact O-N 3.21Å; A441-L570 HydrophobicContact CB-CB 3.92Å |
| 442 | M | 96.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 20.8 Ų | 20.8 | 3% | 0.03 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 122.4 | 172.2 | -71.6 | -64.3 | -82.7 | 0 | 0 | 110.7 | D393 F398 L400 G444 R445 F448 S572 K576 | D393-M442 HydrophobicContact CB-CE 3.94Å; F398-M442 HydrophobicContact CE2-CE 4.14Å; F398-M442 HydrophobicContact CZ-CE 4.07Å; L400-M442 HydrophobicContact CD1-CE 4.24Å; L400-M442 HydrophobicContact CD1-SD 3.5Å; L400-M442 VanDerWaalsContact CD1-SD 3.5Å; M442-G444 WeakPolarHBondContact CE-O 3.42Å; M442-R445 VanDerWaalsContact CE-O 3.31Å; M442-R445 WeakPolarHBondContact CE-O 3.42Å; M442-F448 HydrophobicContact SD-CB 3.78Å; M442-S572 WeakPolarHBondContact O-CB 3.41Å; M442-K576 WeakPolarHBondContact O-CD 3.27Å |
| 443 | V | 95.3 | Very high | 94.9 | Very high | 8 Ų | 8 | 19.8 Ų | 19.8 | 5% | 0.048 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 4.9 | 177.4 | -66.9 | 0 | 0 | 0 | 0 | 112.5 | A441 Q447 V449 K576 V579 T598 W601 | A441-V443 PolarHBondContact O-N 3.05Å; V443-Q447 HydrophobicContact CG2-CB 3.95Å; V443-Q447 HydrophobicContact CG2-CG 3.71Å; V443-Q447 WeakPolarHBondContact CG2-O 3.42Å; V443-Q447 PolarHBondContact N-O 3.46Å; V443-V449 HydrophobicContact CG1-CG2 3.79Å; V443-V449 HydrophobicContact CG2-CG2 4.1Å; V443-K576 WeakPolarHBondContact O-CB 3.5Å; V443-V579 HydrophobicContact CG1-CG2 3.32Å; V443-T598 HydrophobicContact CB-CG2 4.08Å; V443-T598 HydrophobicContact CG1-CG2 3.84Å; V443-W601 HydrophobicContact CG1-CH2 4.37Å; V443-W601 HydrophobicContact CG2-CH2 4.09Å |
| 444 | G | 91.9 | Very high | 94.9 | Very high | 19 Ų | 19 | 20.9 Ų | 20.9 | 20% | 0.196 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.3 | 172.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | M442 F446 Q447 | M442-G444 WeakPolarHBondContact CE-O 3.42Å; G444-F446 PolarHBondContact O-N 2.96Å; G444-Q447 PolarHBondContact N-O 2.84Å; G444-Q447 VanDerWaalsContact N-O 3.13Å; G444-Q447 VanDerWaalsContact O-O 3.14Å |
| 445 | R | 90.1 | Very high | 95 | Very high | 43 Ų | 43 | 23.6 Ų | 23.6 | 16% | 0.162 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -37.3 | 177.8 | -172.8 | 176.2 | -174.8 | -180 | -0.4 | 112.4 | D393 F398 M442 | D393-R445 IonicContact OD2-NE 2.96Å; F398-R445 VanDerWaalsContact CZ-O 3.24Å; F398-R445 WeakPolarHBondContact CZ-O 3.4Å; M442-R445 VanDerWaalsContact CE-O 3.31Å; M442-R445 WeakPolarHBondContact CE-O 3.42Å |
| 446 | F | 94 | Very high | 95.1 | Very high | 10 Ų | 10 | 19.7 Ų | 19.7 | 4% | 0.044 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | 29.8 | -177.7 | -63.3 | -53.2 | 0 | 0 | 0 | 111.7 | F398 G444 Q461 A462 F466 V467 F470 L481 S485 W554 | F398-F446 HydrophobicContact CE1-CD1 4.38Å; F398-F446 HydrophobicContact CE1-CE1 4.03Å; F398-F446 HydrophobicContact CZ-CD1 4.46Å; G444-F446 PolarHBondContact O-N 2.96Å; F446-Q461 CarbonylContact O-C 3.13Å; F446-Q461 WeakPolarHBondContact O-CA 3.36Å; F446-Q461 PolarHBondContact O-NE2 2.82Å; F446-A462 HydrophobicContact CB-CB 3.68Å; F446-A462 HydrophobicContact CD1-CB 4.31Å; F446-A462 HydrophobicContact CG-CB 4.25Å; F446-A462 PolarHBondContact O-N 3.41Å; F446-F466 HydrophobicContact CD1-CD1 4.5Å; F446-F466 AromaticContact CD1-CE1 3.9Å; F446-F466 HydrophobicContact CD1-CE1 3.9Å; F446-F466 AromaticContact CE1-CE1 3.92Å; F446-F466 HydrophobicContact CE1-CE1 3.92Å; F446-V467 HydrophobicContact CD2-CG2 4.11Å; F446-V467 HydrophobicContact CE2-CG1 4.18Å; F446-V467 HydrophobicContact CE2-CG2 4.21Å; F446-V467 HydrophobicContact CG-CG2 4.26Å; F446-V467 HydrophobicContact CZ-CG1 4.37Å; F446-V467 HydrophobicContact CZ-CG2 4.45Å; F446-F470 HydrophobicContact CE1-CD1 4.06Å; F446-F470 HydrophobicContact CE1-CE1 4.3Å; F446-F470 HydrophobicContact CZ-CD1 4.03Å; F446-F470 HydrophobicContact CZ-CE1 4.22Å; F446-L481 HydrophobicContact CE2-CD2 4.39Å; F446-L481 HydrophobicContact CZ-CD2 4.11Å; F446-S485 WeakPolarHBondContact CD2-OG 3.36Å; F446-S485 WeakPolarHBondContact CE2-OG 3.34Å; F446-W554 WeakPolarHBondContact O-CZ3 3.49Å |
| 447 | Q | 95.6 | Very high | 95.1 | Very high | 41 Ų | 41 | 17.2 Ų | 17.2 | 19% | 0.192 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 133 | -179.8 | -162.5 | -178.5 | 71.5 | 0 | 0 | 110.5 | V443 G444 V459 F460 | V443-Q447 HydrophobicContact CG2-CB 3.95Å; V443-Q447 HydrophobicContact CG2-CG 3.71Å; V443-Q447 WeakPolarHBondContact CG2-O 3.42Å; V443-Q447 PolarHBondContact N-O 3.46Å; G444-Q447 PolarHBondContact N-O 2.84Å; G444-Q447 VanDerWaalsContact N-O 3.13Å; G444-Q447 VanDerWaalsContact O-O 3.14Å; Q447-V459 HydrophobicContact CG-CG1 4.08Å; Q447-F460 VanDerWaalsContact CA-O 3.3Å; Q447-F460 WeakPolarHBondContact CA-O 3.36Å; Q447-F460 VanDerWaalsContact CG-O 3.26Å; Q447-F460 WeakPolarHBondContact CG-O 3.27Å |
| 448 | F | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 158.9 | 177.6 | 71.7 | -90.7 | 0 | 0 | 0 | 111.8 | L400 T408 P430 A441 M442 V459 F460 W554 | L400-F448 HydrophobicContact CD1-CB 4.48Å; L400-F448 HydrophobicContact CD1-CD1 3.92Å; L400-F448 HydrophobicContact CD1-CE1 4.48Å; L400-F448 HydrophobicContact CD1-CG 4.32Å; T408-F448 HydrophobicContact CG2-CE1 4.49Å; T408-F448 HydrophobicContact CG2-CE2 4.12Å; T408-F448 HydrophobicContact CG2-CZ 3.88Å; P430-F448 HydrophobicContact CB-CE1 3.67Å; P430-F448 HydrophobicContact CB-CZ 3.81Å; P430-F448 HydrophobicContact CG-CE1 4.22Å; A441-F448 WeakPolarHBondContact O-CA 3.28Å; M442-F448 HydrophobicContact SD-CB 3.78Å; F448-V459 WeakPolarHBondContact O-CA 3.5Å; F448-F460 HydrophobicContact CD1-CB 4.12Å; F448-F460 HydrophobicContact CD2-CD2 4.36Å; F448-F460 HydrophobicContact CE1-CB 3.57Å; F448-F460 HydrophobicContact CE1-CD2 4.49Å; F448-F460 HydrophobicContact CE1-CG 4.25Å; F448-F460 HydrophobicContact CE2-CB 4.11Å; F448-F460 AromaticContact CE2-CD2 3.55Å; F448-F460 HydrophobicContact CE2-CD2 3.55Å; F448-F460 HydrophobicContact CE2-CE2 4.35Å; F448-F460 HydrophobicContact CE2-CG 4.12Å; F448-F460 HydrophobicContact CZ-CB 3.55Å; F448-F460 AromaticContact CZ-CD2 3.63Å; F448-F460 HydrophobicContact CZ-CD2 3.63Å; F448-F460 AromaticContact CZ-CG 3.72Å; F448-F460 HydrophobicContact CZ-CG 3.72Å; F448-F460 PolarHBondContact N-O 3.29Å; F448-F460 VanDerWaalsContact N-O 3.08Å; F448-F460 PolarHBondContact O-N 2.76Å; F448-W554 AromaticContact CD1-CE3 3.79Å; F448-W554 HydrophobicContact CD1-CE3 3.79Å; F448-W554 AromaticContact CD1-CZ3 3.61Å; F448-W554 HydrophobicContact CD1-CZ3 3.61Å; F448-W554 HydrophobicContact CE1-CD2 4.27Å; F448-W554 AromaticContact CE1-CE3 3.52Å; F448-W554 HydrophobicContact CE1-CE3 3.52Å; F448-W554 AromaticContact CE1-CZ3 3.79Å; F448-W554 HydrophobicContact CE1-CZ3 3.79Å |
| 449 | V | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 132.6 | 169.4 | -172.7 | 0 | 0 | 0 | 0 | 108.3 | L440 A441 V443 L457 R458 V459 L570 V579 W601 | L440-V449 CarbonylContact C-O 3.6Å; L440-V449 VanDerWaalsContact CA-O 3.29Å; L440-V449 WeakPolarHBondContact CA-O 3.41Å; A441-V449 PolarHBondContact N-O 3.2Å; A441-V449 PolarHBondContact O-N 3.21Å; V443-V449 HydrophobicContact CG1-CG2 3.79Å; V443-V449 HydrophobicContact CG2-CG2 4.1Å; V449-L457 HydrophobicContact CG1-CB 4.02Å; V449-L457 HydrophobicContact CG1-CD2 4.36Å; V449-R458 CarbonylContact C-O 3.59Å; V449-R458 VanDerWaalsContact CA-O 3.25Å; V449-R458 WeakPolarHBondContact CA-O 3.33Å; V449-V459 HydrophobicContact CG2-CG1 4.45Å; V449-V459 HydrophobicContact CG2-CG2 4.09Å; V449-L570 HydrophobicContact CG1-CD1 4.33Å; V449-V579 HydrophobicContact CG2-CG2 4.18Å; V449-W601 HydrophobicContact CG2-CH2 3.59Å; V449-W601 HydrophobicContact CG2-CZ3 3.72Å |
| 450 | S | 97.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.014 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 150.9 | 174.3 | 65.8 | 0 | 0 | 0 | 0 | 111.8 | Q431 M437 C439 L457 R458 | Q431-S450 PolarHBondContact OE1-OG 2.68Å; M437-S450 VanDerWaalsContact CE-CB 3.48Å; M437-S450 WeakPolarHBondContact CE-OG 3.34Å; C439-S450 WeakPolarHBondContact O-CA 3.42Å; S450-L457 WeakPolarHBondContact O-CA 3.33Å; S450-R458 PolarHBondContact N-O 2.81Å; S450-R458 PolarHBondContact O-N 2.72Å |
| 451 | G | 97 | Very high | 95 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 136.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q438 C439 | Q438-G451 PolarHBondContact N-O 2.8Å; C439-G451 PolarHBondContact N-O 3.02Å; C439-G451 PolarHBondContact O-N 2.87Å |
| 452 | A | 94.8 | Very high | 94.9 | Very high | 2 Ų | 2 | 17.3 Ų | 17.3 | 2% | 0.017 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | -177.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | D436 M437 E454 M567 | D436-A452 WeakPolarHBondContact O-CA 3.29Å; D436-A452 WeakPolarHBondContact O-CB 3.45Å; M437-A452 HydrophobicContact CE-CB 4.43Å; M437-A452 HydrophobicContact SD-CB 3.79Å; A452-E454 PolarHBondContact O-N 2.82Å; A452-M567 PolarHBondContact O-N 2.91Å |
| 453 | D | 93.3 | Very high | 94.8 | Very high | 40 Ų | 40 | 17.2 Ų | 17.2 | 21% | 0.214 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 6.6 | 173.3 | -73.1 | -32.8 | 0 | 0 | 0 | 114.3 | D436 Q438 K455 E566 K584 | D436-D453 PolarHBondContact O-N 2.89Å; D436-D453 VanDerWaalsContact O-N 3.09Å; Q438-D453 PolarHBondContact NE2-OD1 2.81Å; Q438-D453 PolarHBondContact NE2-OD2 2.89Å; Q438-D453 VanDerWaalsContact NE2-OD2 3.1Å; D453-K455 VanDerWaalsContact C-N 3.35Å; D453-K455 PolarHBondContact O-N 3Å; D453-E566 HydrophobicContact CB-CB 4.29Å; D453-E566 HydrophobicContact CB-CG 3.94Å; D453-E566 WeakPolarHBondContact O-CG 3.41Å; D453-E566 WeakPolarHBondContact OD1-CB 3.39Å; D453-K584 IonicContact OD1-NZ 3.6Å; D453-K584 PolarHBondContact OD1-NZ 3.16Å; D453-K584 IonicContact OD2-NZ 3.92Å |
| 454 | E | 88.1 | Confident | 94.6 | Very high | 39 Ų | 39 | 21.2 Ų | 21.2 | 18% | 0.182 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 6.3 | 177.6 | -158 | -176.3 | 158.8 | 0 | 0 | 114.3 | H433 Y435 A452 V456 R458 | H433-E454 IonicContact CE1-OE2 2.81Å; H433-E454 PolarHBondContact CE1-OE2 3.36Å; H433-E454 IonicContact NE2-OE2 3.92Å; H433-E454 PolarHBondContact NE2-OE2 2.91Å; Y435-E454 HydrophobicContact CD1-CB 4.44Å; Y435-E454 HydrophobicContact CD2-CB 3.8Å; Y435-E454 HydrophobicContact CD2-CG 3.82Å; Y435-E454 WeakPolarHBondContact CD2-OE2 3.48Å; Y435-E454 HydrophobicContact CE2-CB 4.05Å; Y435-E454 HydrophobicContact CE2-CG 3.54Å; Y435-E454 HydrophobicContact CG-CB 4.01Å; Y435-E454 HydrophobicContact CG-CG 4.43Å; A452-E454 PolarHBondContact O-N 2.82Å; E454-V456 PolarHBondContact O-N 2.85Å; E454-R458 VanDerWaalsContact CD-NH1 3.33Å; E454-R458 IonicContact OE1-CZ 2.72Å; E454-R458 IonicContact OE1-NH1 3.45Å; E454-R458 IonicContact OE1-NH2 3.01Å; E454-R458 PolarHBondContact OE1-NH2 2.83Å; E454-R458 IonicContact OE2-CZ 3.13Å; E454-R458 IonicContact OE2-NH1 3.96Å; E454-R458 PolarHBondContact OE2-NH1 3.03Å; E454-R458 IonicContact OE2-NH2 2.67Å; E454-R458 PolarHBondContact OE2-NH2 3.03Å |
| 455 | K | 91.3 | Very high | 94.7 | Very high | 95 Ų | 95 | 20.9 Ų | 20.9 | 41% | 0.413 | 9% | 0.094 | S | C | . | . | S | Bend | trans | 64.3 | -1.1 | 177.7 | -40 | 175.8 | 175 | -171.3 | 0 | 115.8 | D453 G564 F565 | D453-K455 VanDerWaalsContact C-N 3.35Å; D453-K455 PolarHBondContact O-N 3Å; K455-G564 WeakPolarHBondContact CD-O 3.34Å; K455-F565 WeakPolarHBondContact CA-O 2.97Å; K455-F565 WeakPolarHBondContact CB-O 3.08Å |
| 456 | V | 93.7 | Very high | 94.9 | Very high | 16 Ų | 16 | 19.3 Ų | 19.3 | 10% | 0.097 | 9% | 0.088 | C | C | . | . | trans | -112.4 | 144.8 | -178.1 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | E454 K559 Y561 | E454-V456 PolarHBondContact O-N 2.85Å; V456-K559 HydrophobicContact CG1-CB 4.06Å; V456-K559 HydrophobicContact CG1-CG 4.49Å; V456-Y561 HydrophobicContact CG1-CD1 4.43Å; V456-Y561 HydrophobicContact CG1-CE1 4.15Å; V456-Y561 HydrophobicContact CG2-CD1 3.72Å; V456-Y561 HydrophobicContact CG2-CE1 3.54Å | ||
| 457 | L | 96.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 139.5 | 167.9 | -64 | 169.7 | 0 | 0 | 0 | 110 | V449 S450 K559 L560 M567 L570 | V449-L457 HydrophobicContact CG1-CB 4.02Å; V449-L457 HydrophobicContact CG1-CD2 4.36Å; S450-L457 WeakPolarHBondContact O-CA 3.33Å; L457-K559 CarbonylContact O-C 3.56Å; L457-K559 WeakPolarHBondContact O-CA 3.26Å; L457-L560 HydrophobicContact CB-CB 4.01Å; L457-L560 HydrophobicContact CB-CD1 4.01Å; L457-L560 HydrophobicContact CB-CG 4.15Å; L457-L560 HydrophobicContact CD1-CD1 4.17Å; L457-L560 PolarHBondContact N-O 3.38Å; L457-L560 PolarHBondContact O-N 2.86Å; L457-M567 HydrophobicContact CD1-CE 4.18Å; L457-M567 HydrophobicContact CD2-CE 3.74Å; L457-M567 HydrophobicContact CD2-CG 3.86Å; L457-M567 HydrophobicContact CD2-SD 4.08Å; L457-M567 HydrophobicContact CG-CE 4Å; L457-M567 HydrophobicContact CG-CG 4.39Å; L457-M567 HydrophobicContact CG-SD 4.1Å; L457-L570 HydrophobicContact CD1-CD2 3.92Å; L457-L570 HydrophobicContact CD2-CD1 3.73Å; L457-L570 HydrophobicContact CD2-CD2 3.65Å; L457-L570 HydrophobicContact CD2-CG 4.11Å; L457-L570 HydrophobicContact CG-CD2 4.45Å |
| 458 | R | 96.7 | Very high | 94.7 | Very high | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.015 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 141.4 | 178.3 | -72 | -179.6 | 168.2 | 78.5 | -5.7 | 110.8 | H433 V449 S450 E454 F460 E556 | H433-R458 VanDerWaalsContact NE2-CZ 3.32Å; H433-R458 PolarHBondContact NE2-NH1 3.33Å; H433-R458 VanDerWaalsContact NE2-NH1 3.18Å; V449-R458 CarbonylContact C-O 3.59Å; V449-R458 VanDerWaalsContact CA-O 3.25Å; V449-R458 WeakPolarHBondContact CA-O 3.33Å; S450-R458 PolarHBondContact N-O 2.81Å; S450-R458 PolarHBondContact O-N 2.72Å; E454-R458 VanDerWaalsContact CD-NH1 3.33Å; E454-R458 IonicContact OE1-CZ 2.72Å; E454-R458 IonicContact OE1-NH1 3.45Å; E454-R458 IonicContact OE1-NH2 3.01Å; E454-R458 PolarHBondContact OE1-NH2 2.83Å; E454-R458 IonicContact OE2-CZ 3.13Å; E454-R458 IonicContact OE2-NH1 3.96Å; E454-R458 PolarHBondContact OE2-NH1 3.03Å; E454-R458 IonicContact OE2-NH2 2.67Å; E454-R458 PolarHBondContact OE2-NH2 3.03Å; R458-F460 HydrophobicContact CB-CD2 4.22Å; R458-F460 HydrophobicContact CB-CE2 3.45Å; R458-F460 VanDerWaalsContact CB-CE2 3.45Å; R458-F460 HydrophobicContact CB-CZ 4Å; R458-F460 HydrophobicContact CG-CE2 4.47Å; R458-E556 WeakPolarHBondContact CD-OE2 3.36Å; R458-E556 IonicContact NE-OE2 2.81Å; R458-E556 PolarHBondContact NE-OE2 2.73Å |
| 459 | V | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 129.9 | 176.9 | -170.3 | 0 | 0 | 0 | 0 | 108.3 | Q447 F448 V449 E556 V557 Q558 L560 W601 | Q447-V459 HydrophobicContact CG-CG1 4.08Å; F448-V459 WeakPolarHBondContact O-CA 3.5Å; V449-V459 HydrophobicContact CG2-CG1 4.45Å; V449-V459 HydrophobicContact CG2-CG2 4.09Å; V459-E556 CarbonylContact O-C 3.57Å; V459-E556 WeakPolarHBondContact O-CA 3.47Å; V459-V557 HydrophobicContact CB-CG2 3.73Å; V459-V557 HydrophobicContact CG1-CG2 3.5Å; V459-V557 WeakPolarHBondContact O-CG2 3.34Å; V459-V557 PolarHBondContact O-N 3.43Å; V459-Q558 HydrophobicContact CB-CB 3.98Å; V459-Q558 HydrophobicContact CG2-CB 3.85Å; V459-Q558 HydrophobicContact CG2-CG 4.49Å; V459-Q558 PolarHBondContact N-O 2.98Å; V459-L560 HydrophobicContact CG2-CG 4.47Å; V459-W601 HydrophobicContact CB-CH2 4.42Å; V459-W601 HydrophobicContact CB-CZ2 4.27Å; V459-W601 HydrophobicContact CG1-CH2 3.74Å; V459-W601 HydrophobicContact CG1-CZ2 3.42Å; V459-W601 VanDerWaalsContact CG1-CZ2 3.42Å; V459-W601 HydrophobicContact CG2-CD2 4Å; V459-W601 HydrophobicContact CG2-CE3 3.86Å; V459-W601 HydrophobicContact CG2-CH2 3.75Å; V459-W601 HydrophobicContact CG2-CZ2 3.91Å; V459-W601 HydrophobicContact CG2-CZ3 3.73Å |
| 460 | F | 96.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 1% | 0.013 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 142.2 | 178.8 | -66.5 | -89 | 0 | 0 | 0 | 110.3 | Q431 Q447 F448 R458 N503 W554 P555 E556 | Q431-F460 HydrophobicContact CB-CE1 4.47Å; Q431-F460 HydrophobicContact CB-CZ 4.26Å; Q431-F460 HydrophobicContact CG-CE1 4.19Å; Q431-F460 HydrophobicContact CG-CE2 4.06Å; Q431-F460 HydrophobicContact CG-CZ 3.64Å; Q447-F460 VanDerWaalsContact CA-O 3.3Å; Q447-F460 WeakPolarHBondContact CA-O 3.36Å; Q447-F460 VanDerWaalsContact CG-O 3.26Å; Q447-F460 WeakPolarHBondContact CG-O 3.27Å; F448-F460 HydrophobicContact CD1-CB 4.12Å; F448-F460 HydrophobicContact CD2-CD2 4.36Å; F448-F460 HydrophobicContact CE1-CB 3.57Å; F448-F460 HydrophobicContact CE1-CD2 4.49Å; F448-F460 HydrophobicContact CE1-CG 4.25Å; F448-F460 HydrophobicContact CE2-CB 4.11Å; F448-F460 AromaticContact CE2-CD2 3.55Å; F448-F460 HydrophobicContact CE2-CD2 3.55Å; F448-F460 HydrophobicContact CE2-CE2 4.35Å; F448-F460 HydrophobicContact CE2-CG 4.12Å; F448-F460 HydrophobicContact CZ-CB 3.55Å; F448-F460 AromaticContact CZ-CD2 3.63Å; F448-F460 HydrophobicContact CZ-CD2 3.63Å; F448-F460 AromaticContact CZ-CG 3.72Å; F448-F460 HydrophobicContact CZ-CG 3.72Å; F448-F460 PolarHBondContact N-O 3.29Å; F448-F460 VanDerWaalsContact N-O 3.08Å; F448-F460 PolarHBondContact O-N 2.76Å; R458-F460 HydrophobicContact CB-CD2 4.22Å; R458-F460 HydrophobicContact CB-CE2 3.45Å; R458-F460 VanDerWaalsContact CB-CE2 3.45Å; R458-F460 HydrophobicContact CB-CZ 4Å; R458-F460 HydrophobicContact CG-CE2 4.47Å; F460-N503 HydrophobicContact CE1-CB 4.44Å; F460-W554 HydrophobicContact CB-CB 4.27Å; F460-W554 HydrophobicContact CB-CE3 4.45Å; F460-W554 WeakPolarHBondContact CD1-O 3.46Å; F460-P555 WeakPolarHBondContact CA-O 3.32Å; F460-E556 HydrophobicContact CD1-CB 4.19Å; F460-E556 HydrophobicContact CE1-CB 3.84Å; F460-E556 HydrophobicContact CE1-CG 4.29Å; F460-E556 HydrophobicContact CZ-CB 4.42Å; F460-E556 HydrophobicContact CZ-CG 4.4Å |
| 461 | Q | 95.2 | Very high | 94.2 | Very high | 35 Ų | 35 | 19.9 Ų | 19.9 | 16% | 0.164 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 135 | 179 | 176.8 | 62.9 | 49.8 | 0 | 0 | 109.1 | F446 L490 P555 V557 | F446-Q461 CarbonylContact O-C 3.13Å; F446-Q461 WeakPolarHBondContact O-CA 3.36Å; F446-Q461 PolarHBondContact O-NE2 2.82Å; Q461-L490 HydrophobicContact CG-CD2 4.24Å; Q461-P555 PolarHBondContact N-O 2.9Å; Q461-P555 WeakPolarHBondContact O-CD 3.34Å; Q461-P555 WeakPolarHBondContact O-CG 3.43Å; Q461-V557 HydrophobicContact CB-CG1 3.58Å |
| 462 | A | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -67.8 | 136.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F446 F466 V467 W554 | F446-A462 HydrophobicContact CB-CB 3.68Å; F446-A462 HydrophobicContact CD1-CB 4.31Å; F446-A462 HydrophobicContact CG-CB 4.25Å; F446-A462 PolarHBondContact O-N 3.41Å; A462-F466 HydrophobicContact CB-CD1 3.58Å; A462-F466 HydrophobicContact CB-CE1 4.18Å; A462-F466 HydrophobicContact CB-CG 4.34Å; A462-V467 HydrophobicContact CB-CG2 4.39Å; A462-W554 VanDerWaalsContact CA-CD2 3.44Å; A462-W554 HydrophobicContact CB-CD2 3.66Å; A462-W554 VanDerWaalsContact CB-CE2 3.46Å; A462-W554 HydrophobicContact CB-CE3 3.81Å; A462-W554 HydrophobicContact CB-CG 4.39Å; A462-W554 HydrophobicContact CB-CH2 3.69Å; A462-W554 HydrophobicContact CB-CZ2 3.51Å; A462-W554 HydrophobicContact CB-CZ3 3.81Å; A462-W554 VanDerWaalsContact N-CE3 3.34Å | ||
| 463 | P | 93.9 | Very high | 93.8 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 3% | 0.026 | 11% | 0.113 | C | C | . | . | trans | -76.5 | 165.1 | 175.4 | 32.8 | -34 | 0 | 0 | 0 | 111.1 | N465 F466 V467 P491 | P463-N465 PolarHBondContact O-N 2.9Å; P463-F466 HydrophobicContact CG-CB 3.88Å; P463-F466 PolarHBondContact O-N 2.86Å; P463-V467 PolarHBondContact O-N 2.85Å; P463-P491 WeakPolarHBondContact CA-O 3.35Å; P463-P491 WeakPolarHBondContact CB-O 3.46Å | ||
| 464 | R | 92.1 | Very high | 93.6 | Very high | 91 Ų | 91 | 22.4 Ų | 22.4 | 34% | 0.343 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -57.5 | -47.5 | 178.5 | -175.6 | -175.3 | -179.7 | 165.1 | 2.7 | 111.8 | F466 V467 E468 L490 P491 E492 | R464-F466 PolarHBondContact O-N 2.7Å; R464-V467 PolarHBondContact O-N 3.09Å; R464-E468 HydrophobicContact CG-CG 4.29Å; R464-E468 IonicContact CZ-OE1 3.58Å; R464-E468 IonicContact NE-OE1 3.56Å; R464-E468 PolarHBondContact NE-OE1 3.47Å; R464-E468 IonicContact NH2-OE1 2.9Å; R464-E468 WeakPolarHBondContact O-CG 3.37Å; R464-E468 PolarHBondContact O-N 2.87Å; R464-L490 HydrophobicContact CB-CB 4.2Å; R464-P491 PolarHBondContact N-O 2.99Å; R464-E492 WeakPolarHBondContact CD-OE1 3.43Å; R464-E492 IonicContact NH1-OE1 3.48Å |
| 465 | N | 93.1 | Very high | 93.5 | Very high | 12 Ų | 12 | 23.3 Ų | 23.3 | 6% | 0.064 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59 | -36.9 | -177.8 | -171.4 | -116.7 | 0 | 0 | 0 | 112.2 | P463 N469 E492 F534 L537 | P463-N465 PolarHBondContact O-N 2.9Å; N465-N469 WeakPolarHBondContact O-CB 3.41Å; N465-N469 VanDerWaalsContact O-CG 3.25Å; N465-N469 PolarHBondContact O-N 2.91Å; N465-N469 PolarHBondContact O-ND2 3.18Å; N465-N469 VanDerWaalsContact O-ND2 3.13Å; N465-N469 PolarHBondContact OD1-ND2 2.71Å; N465-E492 WeakPolarHBondContact CB-O 3.31Å; N465-E492 PolarHBondContact N-O 3.44Å; N465-F534 HydrophobicContact CB-CZ 4.1Å; N465-L537 PolarHBondContact ND2-O 2.84Å; N465-L537 PolarHBondContact OD1-N 3.24Å; N465-L537 PolarHBondContact OD1-O 3.08Å |
| 466 | F | 94.8 | Very high | 93.3 | Very high | 11 Ų | 11 | 20.2 Ų | 20.2 | 5% | 0.048 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.3 | -48.5 | 172.2 | 170.3 | -93.5 | 0 | 0 | 0 | 112.2 | L410 I427 F446 A462 P463 R464 E468 N469 F470 W554 | L410-F466 HydrophobicContact CD1-CE1 4.41Å; L410-F466 HydrophobicContact CD1-CE2 4.04Å; L410-F466 HydrophobicContact CD1-CZ 3.53Å; L410-F466 HydrophobicContact CD2-CE2 4.42Å; L410-F466 HydrophobicContact CD2-CZ 4.19Å; I427-F466 HydrophobicContact CD1-CE2 3.77Å; I427-F466 HydrophobicContact CD1-CZ 4.14Å; I427-F466 HydrophobicContact CG1-CE2 4.28Å; F446-F466 HydrophobicContact CD1-CD1 4.5Å; F446-F466 AromaticContact CD1-CE1 3.9Å; F446-F466 HydrophobicContact CD1-CE1 3.9Å; F446-F466 AromaticContact CE1-CE1 3.92Å; F446-F466 HydrophobicContact CE1-CE1 3.92Å; A462-F466 HydrophobicContact CB-CD1 3.58Å; A462-F466 HydrophobicContact CB-CE1 4.18Å; A462-F466 HydrophobicContact CB-CG 4.34Å; P463-F466 HydrophobicContact CG-CB 3.88Å; P463-F466 PolarHBondContact O-N 2.86Å; R464-F466 PolarHBondContact O-N 2.7Å; F466-E468 VanDerWaalsContact C-N 3.27Å; F466-E468 PolarHBondContact O-N 3.44Å; F466-N469 PolarHBondContact O-N 2.95Å; F466-F470 HydrophobicContact CE1-CB 4.12Å; F466-F470 HydrophobicContact CE2-CB 4.48Å; F466-F470 HydrophobicContact CZ-CB 4.05Å; F466-F470 HydrophobicContact CZ-CD2 4.49Å; F466-F470 HydrophobicContact CZ-CG 4.35Å; F466-F470 VanDerWaalsContact O-CB 3.3Å; F466-F470 WeakPolarHBondContact O-CB 3.27Å; F466-F470 PolarHBondContact O-N 3.01Å; F466-W554 AromaticContact CD1-CZ2 3.83Å; F466-W554 HydrophobicContact CD1-CZ2 3.83Å; F466-W554 AromaticContact CD1-NE1 4Å; F466-W554 AromaticContact CD2-NE1 3.74Å; F466-W554 HydrophobicContact CE1-CH2 4.37Å; F466-W554 AromaticContact CE1-CZ2 3.52Å; F466-W554 HydrophobicContact CE1-CZ2 3.52Å; F466-W554 HydrophobicContact CE2-CZ2 4.25Å; F466-W554 HydrophobicContact CG-CZ2 4.31Å; F466-W554 AromaticContact CG-NE1 3.64Å; F466-W554 AromaticContact CZ-CZ2 3.76Å; F466-W554 HydrophobicContact CZ-CZ2 3.76Å |
| 467 | V | 93.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.012 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.4 | -39.2 | -177.3 | 177.9 | 0 | 0 | 0 | 0 | 111 | F446 A462 P463 R464 A471 L481 L482 | F446-V467 HydrophobicContact CD2-CG2 4.11Å; F446-V467 HydrophobicContact CE2-CG1 4.18Å; F446-V467 HydrophobicContact CE2-CG2 4.21Å; F446-V467 HydrophobicContact CG-CG2 4.26Å; F446-V467 HydrophobicContact CZ-CG1 4.37Å; F446-V467 HydrophobicContact CZ-CG2 4.45Å; A462-V467 HydrophobicContact CB-CG2 4.39Å; P463-V467 PolarHBondContact O-N 2.85Å; R464-V467 PolarHBondContact O-N 3.09Å; V467-A471 WeakPolarHBondContact O-CB 3.49Å; V467-A471 PolarHBondContact O-N 3.48Å; V467-L481 HydrophobicContact CG1-CB 3.85Å; V467-L482 HydrophobicContact CB-CD2 4.38Å; V467-L482 HydrophobicContact CG1-CD2 3.9Å; V467-L482 HydrophobicContact CG1-CG 4.48Å |
| 468 | E | 93.2 | Very high | 92.3 | Very high | 41 Ų | 41 | 26 Ų | 26 | 19% | 0.192 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.6 | -43.7 | 176.8 | -61.2 | -168.8 | 170 | 0 | 0 | 112.3 | R464 F466 A471 S472 K478 | R464-E468 HydrophobicContact CG-CG 4.29Å; R464-E468 IonicContact CZ-OE1 3.58Å; R464-E468 IonicContact NE-OE1 3.56Å; R464-E468 PolarHBondContact NE-OE1 3.47Å; R464-E468 IonicContact NH2-OE1 2.9Å; R464-E468 WeakPolarHBondContact O-CG 3.37Å; R464-E468 PolarHBondContact O-N 2.87Å; F466-E468 VanDerWaalsContact C-N 3.27Å; F466-E468 PolarHBondContact O-N 3.44Å; E468-A471 WeakPolarHBondContact O-CB 3.08Å; E468-A471 PolarHBondContact O-N 3.09Å; E468-S472 PolarHBondContact O-N 3.23Å; E468-S472 VanDerWaalsContact O-N 3.1Å; E468-K478 HydrophobicContact CG-CD 4.32Å; E468-K478 VanDerWaalsContact OE1-CE 3.22Å; E468-K478 WeakPolarHBondContact OE1-CE 3.41Å; E468-K478 IonicContact OE1-NZ 3.72Å; E468-K478 PolarHBondContact OE1-NZ 2.97Å; E468-K478 IonicContact OE2-NZ 3.16Å; E468-K478 PolarHBondContact OE2-NZ 3.46Å |
| 469 | N | 94.8 | Very high | 91.7 | Very high | 15 Ų | 15 | 31.3 Ų | 31.3 | 8% | 0.08 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.1 | -39.4 | 175.9 | -72.7 | -28.9 | 0 | 0 | 0 | 112.1 | N465 F466 A471 S472 I473 L537 L539 | N465-N469 WeakPolarHBondContact O-CB 3.41Å; N465-N469 VanDerWaalsContact O-CG 3.25Å; N465-N469 PolarHBondContact O-N 2.91Å; N465-N469 PolarHBondContact O-ND2 3.18Å; N465-N469 VanDerWaalsContact O-ND2 3.13Å; N465-N469 PolarHBondContact OD1-ND2 2.71Å; F466-N469 PolarHBondContact O-N 2.95Å; N469-A471 VanDerWaalsContact C-N 3.33Å; N469-A471 PolarHBondContact O-N 3.02Å; N469-S472 WeakPolarHBondContact O-CB 3.44Å; N469-S472 PolarHBondContact O-N 2.78Å; N469-I473 WeakPolarHBondContact O-CB 3.39Å; N469-I473 VanDerWaalsContact O-CG1 3.29Å; N469-I473 WeakPolarHBondContact O-CG1 3.27Å; N469-I473 PolarHBondContact O-N 2.63Å; N469-L537 PolarHBondContact ND2-O 2.99Å; N469-L537 PolarHBondContact OD1-O 3.46Å; N469-L537 VanDerWaalsContact OD1-O 3.14Å; N469-L539 HydrophobicContact CB-CB 4.2Å; N469-L539 HydrophobicContact CB-CD1 4.44Å; N469-L539 PolarHBondContact OD1-N 2.88Å |
| 470 | F | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.7 | -43 | 173.5 | 174.5 | -110.3 | 0 | 0 | 0 | 111.2 | E397 F398 T412 I427 F446 F466 S472 I473 S474 I476 L481 | E397-F470 HydrophobicContact CB-CZ 4.15Å; F398-F470 HydrophobicContact CB-CE2 4.44Å; F398-F470 AromaticContact CD1-CE2 3.92Å; F398-F470 HydrophobicContact CD1-CE2 3.92Å; F398-F470 AromaticContact CD1-CZ 3.81Å; F398-F470 HydrophobicContact CD1-CZ 3.81Å; F398-F470 HydrophobicContact CE1-CZ 4.43Å; T412-F470 HydrophobicContact CG2-CE2 4.46Å; I427-F470 HydrophobicContact CD1-CB 4.25Å; I427-F470 HydrophobicContact CD1-CD2 3.64Å; I427-F470 HydrophobicContact CD1-CG 4.43Å; F446-F470 HydrophobicContact CE1-CD1 4.06Å; F446-F470 HydrophobicContact CE1-CE1 4.3Å; F446-F470 HydrophobicContact CZ-CD1 4.03Å; F446-F470 HydrophobicContact CZ-CE1 4.22Å; F466-F470 HydrophobicContact CE1-CB 4.12Å; F466-F470 HydrophobicContact CE2-CB 4.48Å; F466-F470 HydrophobicContact CZ-CB 4.05Å; F466-F470 HydrophobicContact CZ-CD2 4.49Å; F466-F470 HydrophobicContact CZ-CG 4.35Å; F466-F470 VanDerWaalsContact O-CB 3.3Å; F466-F470 WeakPolarHBondContact O-CB 3.27Å; F466-F470 PolarHBondContact O-N 3.01Å; F470-S472 PolarHBondContact O-N 3.09Å; F470-I473 PolarHBondContact O-N 2.91Å; F470-S474 VanDerWaalsContact O-CB 3.23Å; F470-S474 WeakPolarHBondContact O-CB 3.39Å; F470-S474 PolarHBondContact O-N 2.81Å; F470-S474 PolarHBondContact O-OG 3.07Å; F470-I476 HydrophobicContact CE1-CD1 4.05Å; F470-I476 HydrophobicContact CZ-CD1 4.07Å; F470-L481 HydrophobicContact CD1-CD1 3.75Å; F470-L481 HydrophobicContact CE1-CD1 4.09Å; F470-L481 HydrophobicContact CE1-CD2 4.41Å |
| 471 | A | 92.4 | Very high | 90.4 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 5% | 0.05 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.5 | -49.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V467 E468 N469 G475 I476 K478 L481 | V467-A471 WeakPolarHBondContact O-CB 3.49Å; V467-A471 PolarHBondContact O-N 3.48Å; E468-A471 WeakPolarHBondContact O-CB 3.08Å; E468-A471 PolarHBondContact O-N 3.09Å; N469-A471 VanDerWaalsContact C-N 3.33Å; N469-A471 PolarHBondContact O-N 3.02Å; A471-G475 WeakPolarHBondContact O-CA 3.35Å; A471-G475 PolarHBondContact O-N 3.03Å; A471-I476 CarbonylContact C-O 3.45Å; A471-I476 WeakPolarHBondContact CA-O 3.42Å; A471-I476 WeakPolarHBondContact CB-O 3.32Å; A471-I476 PolarHBondContact O-N 3.44Å; A471-I476 VanDerWaalsContact O-N 3.16Å; A471-K478 HydrophobicContact CB-CB 4.07Å; A471-L481 HydrophobicContact CB-CD1 3.62Å |
| 472 | S | 91.9 | Very high | 89.7 | Confident | 59 Ų | 59 | 37.1 Ų | 37.1 | 41% | 0.413 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -60.6 | -50 | 179.3 | 179.4 | 0 | 0 | 0 | 0 | 112.5 | E468 N469 F470 L539 | E468-S472 PolarHBondContact O-N 3.23Å; E468-S472 VanDerWaalsContact O-N 3.1Å; N469-S472 WeakPolarHBondContact O-CB 3.44Å; N469-S472 PolarHBondContact O-N 2.78Å; F470-S472 PolarHBondContact O-N 3.09Å; S472-L539 WeakPolarHBondContact CB-O 3.29Å; S472-L539 PolarHBondContact OG-O 2.74Å |
| 473 | I | 92.1 | Very high | 88.5 | Confident | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72 | -41.3 | -175.8 | -65.8 | 167.9 | 0 | 0 | 0 | 112 | T412 W414 I427 N469 F470 G475 L539 | T412-I473 HydrophobicContact CG2-CG2 4.39Å; W414-I473 HydrophobicContact CB-CG2 3.88Å; W414-I473 HydrophobicContact CG-CG2 4Å; I427-I473 HydrophobicContact CB-CD1 4.31Å; I427-I473 HydrophobicContact CG2-CD1 4.07Å; I427-I473 HydrophobicContact CG2-CG2 4.04Å; N469-I473 WeakPolarHBondContact O-CB 3.39Å; N469-I473 VanDerWaalsContact O-CG1 3.29Å; N469-I473 WeakPolarHBondContact O-CG1 3.27Å; N469-I473 PolarHBondContact O-N 2.63Å; F470-I473 PolarHBondContact O-N 2.91Å; I473-G475 VanDerWaalsContact C-N 3.34Å; I473-L539 HydrophobicContact CD1-CB 4.15Å |
| 474 | S | 88.4 | Confident | 87 | Confident | 30 Ų | 30 | 48.1 Ų | 48.1 | 21% | 0.21 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -80.1 | -16 | -179.5 | 65.7 | 0 | 0 | 0 | 0 | 113.4 | F470 I476 | F470-S474 VanDerWaalsContact O-CB 3.23Å; F470-S474 WeakPolarHBondContact O-CB 3.39Å; F470-S474 PolarHBondContact O-N 2.81Å; F470-S474 PolarHBondContact O-OG 3.07Å; S474-I476 VanDerWaalsContact C-N 3.28Å; S474-I476 WeakPolarHBondContact OG-CD1 3.47Å; S474-I476 WeakPolarHBondContact OG-CG1 3.35Å; S474-I476 PolarHBondContact OG-N 3.08Å |
| 475 | G | 86.2 | Confident | 85.4 | Confident | 57 Ų | 57 | 45 Ų | 45 | 59% | 0.588 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 16.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A471 I473 | A471-G475 WeakPolarHBondContact O-CA 3.35Å; A471-G475 PolarHBondContact O-N 3.03Å; I473-G475 VanDerWaalsContact C-N 3.34Å |
| 476 | I | 86.4 | Confident | 83.7 | Confident | 31 Ų | 31 | 46.8 Ų | 46.8 | 16% | 0.159 | 27% | 0.274 | C | S | . | . | trans | -85.4 | 138.1 | 175.8 | -59.6 | 171.8 | 0 | 0 | 0 | 109 | E397 F470 A471 S474 K478 L481 | E397-I476 HydrophobicContact CB-CD1 4.41Å; E397-I476 HydrophobicContact CG-CD1 4.05Å; F470-I476 HydrophobicContact CE1-CD1 4.05Å; F470-I476 HydrophobicContact CZ-CD1 4.07Å; A471-I476 CarbonylContact C-O 3.45Å; A471-I476 WeakPolarHBondContact CA-O 3.42Å; A471-I476 WeakPolarHBondContact CB-O 3.32Å; A471-I476 PolarHBondContact O-N 3.44Å; A471-I476 VanDerWaalsContact O-N 3.16Å; S474-I476 VanDerWaalsContact C-N 3.28Å; S474-I476 WeakPolarHBondContact OG-CD1 3.47Å; S474-I476 WeakPolarHBondContact OG-CG1 3.35Å; S474-I476 PolarHBondContact OG-N 3.08Å; I476-K478 PolarHBondContact O-N 2.95Å; I476-L481 HydrophobicContact CB-CD1 4.1Å; I476-L481 HydrophobicContact CG2-CD1 3.91Å; I476-L481 HydrophobicContact CG2-CD2 3.94Å; I476-L481 HydrophobicContact CG2-CG 3.82Å | ||
| 477 | S | 86.3 | Confident | 81.7 | Confident | 56 Ų | 56 | 49.7 Ų | 49.7 | 39% | 0.392 | 30% | 0.296 | S | S | . | . | trans | -53.6 | 127.5 | 177.8 | 154.8 | 0 | 0 | 0 | 0 | 112.3 | E479 K480 L481 | S477-E479 VanDerWaalsContact C-N 3.31Å; S477-E479 PolarHBondContact O-N 2.77Å; S477-E479 PolarHBondContact OG-N 2.59Å; S477-E479 PolarHBondContact OG-OE2 3.34Å; S477-K480 PolarHBondContact O-N 2.89Å; S477-K480 PolarHBondContact OG-N 3.46Å; S477-L481 WeakPolarHBondContact O-CG 3.42Å; S477-L481 PolarHBondContact O-N 3.07Å | ||
| 478 | K | 84.6 | Confident | 79.9 | Confident | 81 Ų | 81 | 54.7 Ų | 54.7 | 35% | 0.352 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.2 | -41.8 | 176.8 | 175.9 | 173.6 | 173.4 | 165.2 | 0 | 111.5 | E468 A471 I476 K480 L481 L482 | E468-K478 HydrophobicContact CG-CD 4.32Å; E468-K478 VanDerWaalsContact OE1-CE 3.22Å; E468-K478 WeakPolarHBondContact OE1-CE 3.41Å; E468-K478 IonicContact OE1-NZ 3.72Å; E468-K478 PolarHBondContact OE1-NZ 2.97Å; E468-K478 IonicContact OE2-NZ 3.16Å; E468-K478 PolarHBondContact OE2-NZ 3.46Å; A471-K478 HydrophobicContact CB-CB 4.07Å; I476-K478 PolarHBondContact O-N 2.95Å; K478-K480 PolarHBondContact O-N 3.16Å; K478-L481 PolarHBondContact O-N 2.94Å; K478-L482 HydrophobicContact CD-CD1 4.32Å; K478-L482 HydrophobicContact CG-CD1 3.71Å; K478-L482 HydrophobicContact CG-CG 4.29Å; K478-L482 WeakPolarHBondContact O-CG 3.43Å; K478-L482 PolarHBondContact O-N 3.46Å |
| 479 | E | 82.4 | Confident | 78.7 | Confident | 117 Ų | 117 | 57.4 Ų | 57.4 | 55% | 0.547 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | -179.8 | -58.4 | 70.1 | -148.3 | 0 | 0 | 110.7 | S477 L481 L482 Q483 | S477-E479 VanDerWaalsContact C-N 3.31Å; S477-E479 PolarHBondContact O-N 2.77Å; S477-E479 PolarHBondContact OG-N 2.59Å; S477-E479 PolarHBondContact OG-OE2 3.34Å; E479-L481 VanDerWaalsContact C-N 3.3Å; E479-L481 PolarHBondContact O-N 3.2Å; E479-L482 PolarHBondContact O-N 3.48Å; E479-Q483 VanDerWaalsContact O-CB 3.31Å; E479-Q483 WeakPolarHBondContact O-CB 3.39Å; E479-Q483 WeakPolarHBondContact O-CG 3.19Å; E479-Q483 PolarHBondContact O-N 3.37Å |
| 480 | K | 83.8 | Confident | 78.2 | Confident | 137 Ų | 137 | 57.9 Ų | 57.9 | 60% | 0.596 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.2 | -41.2 | 177.5 | -174.9 | 178.7 | 179.2 | -178.8 | 0 | 111.6 | S477 K478 S484 | S477-K480 PolarHBondContact O-N 2.89Å; S477-K480 PolarHBondContact OG-N 3.46Å; K478-K480 PolarHBondContact O-N 3.16Å; K480-S484 PolarHBondContact O-N 2.99Å; K480-S484 PolarHBondContact O-OG 3.26Å |
| 481 | L | 84.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -72.3 | -45.4 | -179.1 | -66.9 | 177.2 | 0 | 0 | 0 | 112.3 | F446 V467 F470 A471 I476 S477 K478 E479 S484 S485 | F446-L481 HydrophobicContact CE2-CD2 4.39Å; F446-L481 HydrophobicContact CZ-CD2 4.11Å; V467-L481 HydrophobicContact CG1-CB 3.85Å; F470-L481 HydrophobicContact CD1-CD1 3.75Å; F470-L481 HydrophobicContact CE1-CD1 4.09Å; F470-L481 HydrophobicContact CE1-CD2 4.41Å; A471-L481 HydrophobicContact CB-CD1 3.62Å; I476-L481 HydrophobicContact CB-CD1 4.1Å; I476-L481 HydrophobicContact CG2-CD1 3.91Å; I476-L481 HydrophobicContact CG2-CD2 3.94Å; I476-L481 HydrophobicContact CG2-CG 3.82Å; S477-L481 WeakPolarHBondContact O-CG 3.42Å; S477-L481 PolarHBondContact O-N 3.07Å; K478-L481 PolarHBondContact O-N 2.94Å; E479-L481 VanDerWaalsContact C-N 3.3Å; E479-L481 PolarHBondContact O-N 3.2Å; L481-S484 PolarHBondContact O-N 3.43Å; L481-S484 PolarHBondContact O-OG 3.07Å; L481-S485 WeakPolarHBondContact O-CB 3.28Å; L481-S485 PolarHBondContact O-N 3.09Å; L481-S485 PolarHBondContact O-OG 3.11Å |
| 482 | L | 78.8 | Confident | 77.7 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 12% | 0.115 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.1 | -34.9 | -179 | -69.4 | 176.4 | 0 | 0 | 0 | 112.7 | V467 K478 E479 S484 S485 | V467-L482 HydrophobicContact CB-CD2 4.38Å; V467-L482 HydrophobicContact CG1-CD2 3.9Å; V467-L482 HydrophobicContact CG1-CG 4.48Å; K478-L482 HydrophobicContact CD-CD1 4.32Å; K478-L482 HydrophobicContact CG-CD1 3.71Å; K478-L482 HydrophobicContact CG-CG 4.29Å; K478-L482 WeakPolarHBondContact O-CG 3.43Å; K478-L482 PolarHBondContact O-N 3.46Å; E479-L482 PolarHBondContact O-N 3.48Å; L482-S484 VanDerWaalsContact C-N 3.3Å; L482-S484 PolarHBondContact O-N 2.89Å; L482-S485 PolarHBondContact O-N 3.13Å |
| 483 | Q | 69.9 | Low | 77.7 | Confident | 158 Ų | 158 | 56.7 Ų | 56.7 | 74% | 0.738 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62 | -38.7 | 172.4 | -74.4 | 173.2 | 12.1 | 0 | 0 | 111.8 | E479 S485 | E479-Q483 VanDerWaalsContact O-CB 3.31Å; E479-Q483 WeakPolarHBondContact O-CB 3.39Å; E479-Q483 WeakPolarHBondContact O-CG 3.19Å; E479-Q483 PolarHBondContact O-N 3.37Å; Q483-S485 PolarHBondContact O-N 3.49Å |
| 484 | S | 62.5 | Low | 77.6 | Confident | 78 Ų | 78 | 56.4 Ų | 56.4 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -72.8 | -14.1 | 177.4 | 69.4 | 0 | 0 | 0 | 0 | 114.5 | K480 L481 L482 | K480-S484 PolarHBondContact O-N 2.99Å; K480-S484 PolarHBondContact O-OG 3.26Å; L481-S484 PolarHBondContact O-N 3.43Å; L481-S484 PolarHBondContact O-OG 3.07Å; L482-S484 VanDerWaalsContact C-N 3.3Å; L482-S484 PolarHBondContact O-N 2.89Å |
| 485 | S | 58.3 | Low | 77.5 | Confident | 26 Ų | 26 | 55.8 Ų | 55.8 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 0.2 | -169.3 | -51.1 | 0 | 0 | 0 | 0 | 114.7 | F446 L481 L482 Q483 | F446-S485 WeakPolarHBondContact CD2-OG 3.36Å; F446-S485 WeakPolarHBondContact CE2-OG 3.34Å; L481-S485 WeakPolarHBondContact O-CB 3.28Å; L481-S485 PolarHBondContact O-N 3.09Å; L481-S485 PolarHBondContact O-OG 3.11Å; L482-S485 PolarHBondContact O-N 3.13Å; Q483-S485 PolarHBondContact O-N 3.49Å |
| 486 | G | 58.4 | Low | 77.1 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 50% | 0.495 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 68.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | A488 | G486-A488 VanDerWaalsContact C-N 3.28Å; G486-A488 PolarHBondContact O-N 2.71Å |
| 487 | S | 53.4 | Low | 76.4 | Confident | 73 Ų | 73 | 54.9 Ų | 54.9 | 51% | 0.51 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -5.3 | -160.9 | 65.5 | 0 | 0 | 0 | 0 | 118.4 | ||
| 488 | A | 54.2 | Low | 75.4 | Confident | 106 Ų | 106 | 56 Ų | 56 | 88% | 0.876 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -14.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | G486 | G486-A488 VanDerWaalsContact C-N 3.28Å; G486-A488 PolarHBondContact O-N 2.71Å |
| 489 | S | 68.9 | Low | 74.4 | Confident | 98 Ų | 98 | 60.6 Ų | 60.6 | 69% | 0.685 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -134.7 | 13.1 | -170.7 | 67.9 | 0 | 0 | 0 | 0 | 115.2 | ||
| 490 | L | 83.6 | Confident | 73.6 | Confident | 26 Ų | 26 | 56.4 Ų | 56.4 | 14% | 0.136 | 36% | 0.358 | C | S | . | . | trans | -74.5 | 136.4 | 177.6 | -69.5 | 175 | 0 | 0 | 0 | 110.6 | Q461 R464 | Q461-L490 HydrophobicContact CG-CD2 4.24Å; R464-L490 HydrophobicContact CB-CB 4.2Å | ||
| 491 | P | 88.8 | Confident | 73 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 8% | 0.078 | 35% | 0.353 | C | S | . | . | trans | -64.9 | 153 | 170.5 | 28.4 | -33.4 | 0 | 0 | 0 | 110.6 | P463 R464 A505 F507 P555 | P463-P491 WeakPolarHBondContact CA-O 3.35Å; P463-P491 WeakPolarHBondContact CB-O 3.46Å; R464-P491 PolarHBondContact N-O 2.99Å; P491-A505 HydrophobicContact CB-CB 3.77Å; P491-A505 HydrophobicContact CG-CB 4.09Å; P491-F507 HydrophobicContact CB-CD1 4.07Å; P491-F507 HydrophobicContact CB-CE1 3.76Å; P491-F507 HydrophobicContact CB-CZ 4Å; P491-P555 HydrophobicContact CG-CB 4.49Å; P491-P555 HydrophobicContact CG-CG 3.65Å | ||
| 492 | E | 88.9 | Confident | 72.8 | Confident | 28 Ų | 28 | 55.6 Ų | 55.6 | 13% | 0.131 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -68.9 | -38.5 | 179.2 | -73.8 | -59.7 | 151.4 | 0 | 0 | 111.3 | R464 N465 V506 Q508 F534 | R464-E492 WeakPolarHBondContact CD-OE1 3.43Å; R464-E492 IonicContact NH1-OE1 3.48Å; N465-E492 WeakPolarHBondContact CB-O 3.31Å; N465-E492 PolarHBondContact N-O 3.44Å; E492-V506 PolarHBondContact N-O 3.27Å; E492-Q508 HydrophobicContact CG-CB 4.11Å; E492-F534 HydrophobicContact CB-CE1 4.44Å |
| 493 | G | 90.8 | Very high | 73.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | -165.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V506 F534 | G493-V506 PolarHBondContact N-O 3.17Å; G493-V506 PolarHBondContact O-N 3.11Å; G493-F534 VanDerWaalsContact CA-CZ 3.42Å |
| 494 | A | 90.7 | Very high | 74.2 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 152.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N503 K504 L553 P555 | A494-N503 HydrophobicContact CB-CB 4.27Å; A494-K504 CarbonylContact C-O 3.51Å; A494-K504 WeakPolarHBondContact CA-O 3.48Å; A494-K504 WeakPolarHBondContact CB-O 3.15Å; A494-L553 HydrophobicContact CB-CB 4.14Å; A494-P555 HydrophobicContact CB-CB 4.03Å; A494-P555 HydrophobicContact CB-CG 4.42Å |
| 495 | S | 86.1 | Confident | 75.4 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 12% | 0.119 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 150.3 | 172.8 | 62.8 | 0 | 0 | 0 | 0 | 110.2 | K504 | S495-K504 PolarHBondContact N-O 2.95Å; S495-K504 PolarHBondContact O-N 2.87Å |
| 496 | T | 78.9 | Confident | 76.7 | Confident | 44 Ų | 44 | 50.8 Ų | 50.8 | 27% | 0.27 | 33% | 0.332 | S | S | . | . | trans | -104.3 | 120 | 173.6 | -44 | 0 | 0 | 0 | 0 | 108.3 | G500 N503 L553 | T496-G500 WeakPolarHBondContact CG2-O 3.5Å; T496-N503 PolarHBondContact OG1-OD1 3.46Å; T496-L553 WeakPolarHBondContact OG1-CD1 3.42Å | ||
| 497 | P | 69.9 | Low | 78 | Confident | 25 Ų | 25 | 53.4 Ų | 53.4 | 16% | 0.162 | 33% | 0.33 | C | S | . | . | trans | -59.8 | 150.1 | 173.8 | -20.7 | 31.4 | 0 | 0 | 0 | 111.1 | L499 G500 K504 | P497-L499 PolarHBondContact O-N 2.98Å; P497-G500 PolarHBondContact O-N 3.31Å; P497-K504 HydrophobicContact CG-CD 3.88Å; P497-K504 HydrophobicContact CG-CG 4.29Å | ||
| 498 | A | 66.3 | Low | 79 | Confident | 79 Ų | 79 | 56.6 Ų | 56.6 | 65% | 0.653 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -30.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 499 | L | 64.1 | Low | 79.7 | Confident | 179 Ų | 179 | 54.5 Ų | 54.5 | 94% | 0.937 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 4.6 | 177 | -63 | 171.1 | 0 | 0 | 0 | 113.3 | P497 | P497-L499 PolarHBondContact O-N 2.98Š|
| 500 | G | 64.1 | Low | 79.7 | Confident | 28 Ų | 28 | 54.6 Ų | 54.6 | 29% | 0.289 | 32% | 0.319 | S | S | . | . | trans | -94 | 142.1 | -175 | 0 | 0 | 0 | 0 | 0 | 113.2 | T496 P497 | T496-G500 WeakPolarHBondContact CG2-O 3.5Å; P497-G500 PolarHBondContact O-N 3.31Å | ||
| 501 | L | 71.6 | Confident | 79 | Confident | 93 Ų | 93 | 55.9 Ų | 55.9 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -99.4 | 13 | 171.6 | -65.4 | 173.3 | 0 | 0 | 0 | 112.9 | Y435 | Y435-L501 HydrophobicContact CE2-CD1 4.43Š|
| 502 | S | 80.5 | Confident | 77.9 | Confident | 27 Ų | 27 | 60.1 Ų | 60.1 | 19% | 0.189 | 35% | 0.351 | C | S | . | . | S | Bend | trans | -140.4 | 136.7 | -173.3 | 174 | 0 | 0 | 0 | 0 | 110 | K504 E556 | S502-K504 PolarHBondContact O-N 2.71Å; S502-E556 WeakPolarHBondContact OG-CB 3.4Å; S502-E556 PolarHBondContact OG-OE1 2.93Å; S502-E556 PolarHBondContact OG-OE2 2.82Å |
| 503 | N | 89.1 | Confident | 76.4 | Confident | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.027 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 117.1 | 178.4 | -66.6 | -6.1 | 0 | 0 | 0 | 108.9 | P430 F460 A494 T496 W554 E556 | P430-N503 PolarHBondContact O-ND2 2.78Å; F460-N503 HydrophobicContact CE1-CB 4.44Å; A494-N503 HydrophobicContact CB-CB 4.27Å; T496-N503 PolarHBondContact OG1-OD1 3.46Å; N503-W554 WeakPolarHBondContact CB-O 3.29Å; N503-W554 PolarHBondContact ND2-O 3.21Å; N503-E556 PolarHBondContact O-N 2.84Å |
| 504 | K | 88.9 | Confident | 74.7 | Confident | 132 Ų | 132 | 69.3 Ų | 69.3 | 57% | 0.574 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 141.6 | 176.8 | -68.1 | -173.6 | 178.5 | 176.1 | 0 | 110.2 | A494 S495 P497 S502 | A494-K504 CarbonylContact C-O 3.51Å; A494-K504 WeakPolarHBondContact CA-O 3.48Å; A494-K504 WeakPolarHBondContact CB-O 3.15Å; S495-K504 PolarHBondContact N-O 2.95Å; S495-K504 PolarHBondContact O-N 2.87Å; P497-K504 HydrophobicContact CG-CD 3.88Å; P497-K504 HydrophobicContact CG-CG 4.29Å; S502-K504 PolarHBondContact O-N 2.71Å |
| 505 | A | 88.5 | Confident | 72.8 | Confident | 38 Ų | 38 | 73.4 Ų | 73.4 | 31% | 0.314 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 139.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P491 F507 P555 | P491-A505 HydrophobicContact CB-CB 3.77Å; P491-A505 HydrophobicContact CG-CB 4.09Å; A505-F507 HydrophobicContact CB-CE2 3.75Å; A505-F507 HydrophobicContact CB-CZ 4.05Å; A505-P555 HydrophobicContact CB-CB 3.85Å |
| 506 | V | 85.3 | Confident | 71.2 | Confident | 8 Ų | 8 | 76 Ų | 76 | 5% | 0.048 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 124 | 173.8 | -179.8 | 0 | 0 | 0 | 0 | 108.2 | E492 G493 D510 L511 F534 | E492-V506 PolarHBondContact N-O 3.27Å; G493-V506 PolarHBondContact N-O 3.17Å; G493-V506 PolarHBondContact O-N 3.11Å; V506-D510 HydrophobicContact CG1-CB 4.37Å; V506-L511 HydrophobicContact CG1-CD2 3.89Å; V506-L511 HydrophobicContact CG1-CG 4.25Å; V506-F534 HydrophobicContact CB-CD1 4.22Å; V506-F534 HydrophobicContact CG1-CD1 4.05Å; V506-F534 HydrophobicContact CG2-CB 4.33Å |
| 507 | F | 85.4 | Confident | 69.9 | Low | 103 Ų | 103 | 81.8 Ų | 81.8 | 45% | 0.452 | 47% | 0.473 | S | S | . | . | trans | -106.1 | 162.7 | 179.1 | -63.9 | -87.3 | 0 | 0 | 0 | 111.4 | P491 A505 G509 D510 | P491-F507 HydrophobicContact CB-CD1 4.07Å; P491-F507 HydrophobicContact CB-CE1 3.76Å; P491-F507 HydrophobicContact CB-CZ 4Å; A505-F507 HydrophobicContact CB-CE2 3.75Å; A505-F507 HydrophobicContact CB-CZ 4.05Å; F507-G509 PolarHBondContact O-N 2.79Å; F507-G509 VanDerWaalsContact O-N 3.15Å; F507-D510 PolarHBondContact N-OD2 3.25Å; F507-D510 WeakPolarHBondContact O-CB 3.28Å; F507-D510 PolarHBondContact O-N 2.96Å | ||
| 508 | Q | 75.6 | Confident | 69 | Low | 141 Ų | 141 | 85.5 Ų | 85.5 | 66% | 0.659 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -57.4 | -32.6 | -177.2 | -168.5 | 175.7 | 17.5 | 0 | 0 | 113.6 | E492 D510 L511 | E492-Q508 HydrophobicContact CG-CB 4.11Å; Q508-D510 VanDerWaalsContact C-N 3.29Å; Q508-D510 PolarHBondContact O-N 3.4Å; Q508-L511 PolarHBondContact O-N 3.1Å |
| 509 | G | 68.8 | Low | 68.1 | Low | 62 Ų | 62 | 87.5 Ų | 87.5 | 64% | 0.639 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -67.8 | -25.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | F507 L511 | F507-G509 PolarHBondContact O-N 2.79Å; F507-G509 VanDerWaalsContact O-N 3.15Å; G509-L511 VanDerWaalsContact C-N 3.29Å; G509-L511 PolarHBondContact O-N 3.43Å |
| 510 | D | 67.6 | Low | 67.4 | Low | 100 Ų | 100 | 87.5 Ų | 87.5 | 54% | 0.535 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -78.6 | -15.7 | -180 | -54.1 | -39.4 | 0 | 0 | 0 | 112.3 | V506 F507 Q508 | V506-D510 HydrophobicContact CG1-CB 4.37Å; F507-D510 PolarHBondContact N-OD2 3.25Å; F507-D510 WeakPolarHBondContact O-CB 3.28Å; F507-D510 PolarHBondContact O-N 2.96Å; Q508-D510 VanDerWaalsContact C-N 3.29Å; Q508-D510 PolarHBondContact O-N 3.4Å |
| 511 | L | 68.6 | Low | 66.7 | Low | 53 Ų | 53 | 96.7 Ų | 96.7 | 28% | 0.277 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -87.9 | -9.7 | -178.1 | -62.8 | 173.5 | 0 | 0 | 0 | 113.3 | V506 Q508 G509 F534 P536 | V506-L511 HydrophobicContact CG1-CD2 3.89Å; V506-L511 HydrophobicContact CG1-CG 4.25Å; Q508-L511 PolarHBondContact O-N 3.1Å; G509-L511 VanDerWaalsContact C-N 3.29Å; G509-L511 PolarHBondContact O-N 3.43Å; L511-F534 HydrophobicContact CD2-CD1 4.49Å; L511-P536 HydrophobicContact CD1-CG 3.67Å |
| 512 | V | 65.9 | Low | 65.5 | Low | 101 Ų | 101 | 96.9 Ų | 96.9 | 61% | 0.612 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -79.1 | 126.5 | 178.8 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | K514 | V512-K514 PolarHBondContact O-N 2.91Š|
| 513 | P | 58.3 | Low | 63.9 | Low | 107 Ų | 107 | 101.7 Ų | 101.7 | 70% | 0.695 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 124 | 174.5 | -19.4 | 29.5 | 0 | 0 | 0 | 109.6 | ||
| 514 | K | 55 | Low | 61.9 | Low | 114 Ų | 114 | 103.9 Ų | 103.9 | 50% | 0.496 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 141.5 | 173.7 | -67.8 | 179.4 | -179.3 | 166.4 | 0 | 109.2 | V512 E518 F522 | V512-K514 PolarHBondContact O-N 2.91Å; K514-E518 HydrophobicContact CB-CB 4.33Å; K514-F522 HydrophobicContact CD-CE2 4.3Å; K514-F522 HydrophobicContact CD-CZ 4.32Å |
| 515 | T | 50.1 | Low | 59.7 | Low | 86 Ų | 86 | 104.1 Ų | 104.1 | 53% | 0.528 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -72.5 | 154.5 | 177.4 | 50.7 | 0 | 0 | 0 | 0 | 110.5 | E517 E518 E519 | T515-E517 PolarHBondContact O-N 3.3Å; T515-E518 PolarHBondContact O-N 3.09Å; T515-E519 PolarHBondContact O-N 3.18Å |
| 516 | A | 52.7 | Low | 57.8 | Low | 72 Ų | 72 | 105.8 Ų | 105.8 | 60% | 0.595 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -56.1 | -23.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 517 | E | 50.8 | Low | 55.9 | Low | 165 Ų | 165 | 108.9 Ų | 108.9 | 77% | 0.771 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -76.4 | -19.8 | 175.5 | -66.8 | -177.3 | 172.1 | 0 | 0 | 113.6 | T515 | T515-E517 PolarHBondContact O-N 3.3Å |
| 518 | E | 51.3 | Low | 53.8 | Low | 103 Ų | 103 | 111.3 Ų | 111.3 | 48% | 0.481 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -88 | -23 | 174.8 | -69.2 | -177 | 161.5 | 0 | 0 | 112.3 | K514 T515 E520 R521 F522 | K514-E518 HydrophobicContact CB-CB 4.33Å; T515-E518 PolarHBondContact O-N 3.09Å; E518-E520 VanDerWaalsContact C-N 3.33Å; E518-E520 PolarHBondContact O-N 3.39Å; E518-R521 PolarHBondContact O-N 2.68Å; E518-F522 WeakPolarHBondContact O-CE2 3.49Å |
| 519 | E | 48.3 | Very low | 52.4 | Low | 121 Ų | 121 | 112.4 Ų | 112.4 | 57% | 0.565 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.5 | -29.8 | 176.1 | -71.2 | -176.8 | 156.4 | 0 | 0 | 112.8 | T515 R521 | T515-E519 PolarHBondContact O-N 3.18Å; E519-R521 VanDerWaalsContact C-N 3.25Å; E519-R521 PolarHBondContact O-N 3.12Å |
| 520 | E | 48.8 | Very low | 51.4 | Low | 179 Ų | 179 | 117.8 Ų | 117.8 | 84% | 0.836 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -6 | 179.4 | -71.2 | -171.1 | 160.5 | 0 | 0 | 114.3 | E518 | E518-E520 VanDerWaalsContact C-N 3.33Å; E518-E520 PolarHBondContact O-N 3.39Å |
| 521 | R | 49 | Very low | 50.7 | Low | 221 Ų | 221 | 117.3 Ų | 117.3 | 83% | 0.834 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 16.6 | -175.1 | -75.4 | -165.8 | -162.4 | -160 | 6.2 | 116.1 | E518 E519 | E518-R521 PolarHBondContact O-N 2.68Å; E519-R521 VanDerWaalsContact C-N 3.25Å; E519-R521 PolarHBondContact O-N 3.12Å |
| 522 | F | 47.3 | Very low | 49.9 | Very low | 96 Ų | 96 | 117.1 Ų | 117.1 | 42% | 0.421 | 60% | 0.602 | S | S | . | * | trans | -96 | 131.2 | 179.5 | -71.2 | -74.6 | 0 | 0 | 0 | 113.8 | K514 E518 D527 | K514-F522 HydrophobicContact CD-CE2 4.3Å; K514-F522 HydrophobicContact CD-CZ 4.32Å; E518-F522 WeakPolarHBondContact O-CE2 3.49Å; F522-D527 HydrophobicContact CB-CB 3.79Å; F522-D527 HydrophobicContact CD1-CB 3.86Å; F522-D527 WeakPolarHBondContact CD1-OD2 3.41Å; F522-D527 HydrophobicContact CD2-CB 4.31Å; F522-D527 HydrophobicContact CG-CB 3.7Å | ||
| 523 | S | 46 | Very low | 49.9 | Very low | 128 Ų | 128 | 118.5 Ų | 118.5 | 90% | 0.895 | 60% | 0.597 | S | S | * | * | trans | -106.1 | 13.2 | -178.6 | 57.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 524 | S | 47 | Very low | 51 | Low | 51 Ų | 51 | 113.4 Ų | 113.4 | 36% | 0.357 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -135.3 | 143.8 | -175.7 | 91.7 | 0 | 0 | 0 | 0 | 113.4 | S526 D527 | S524-S526 PolarHBondContact O-N 3.15Å; S524-S526 PolarHBondContact OG-OG 3.29Å; S524-D527 PolarHBondContact O-N 3.48Å; S524-D527 PolarHBondContact OG-OD2 3.35Å |
| 525 | I | 44.3 | Very low | 52.4 | Low | 137 Ų | 137 | 113.6 Ų | 113.6 | 70% | 0.703 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -65.4 | -20.7 | -179.4 | -71.3 | 167 | 0 | 0 | 0 | 112.3 | D527 | I525-D527 VanDerWaalsContact C-N 3.29Å; I525-D527 PolarHBondContact O-N 3.34Å |
| 526 | S | 48.5 | Very low | 54 | Low | 74 Ų | 74 | 112.4 Ų | 112.4 | 52% | 0.517 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -71.3 | -19.3 | 178.9 | 42.5 | 0 | 0 | 0 | 0 | 114.3 | S524 | S524-S526 PolarHBondContact O-N 3.15Å; S524-S526 PolarHBondContact OG-OG 3.29Å |
| 527 | D | 44.6 | Very low | 55.8 | Low | 72 Ų | 72 | 110.8 Ų | 110.8 | 39% | 0.385 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -85.9 | -8.1 | -178.5 | -61.5 | -58.2 | 0 | 0 | 0 | 113.3 | F522 S524 I525 Y529 | F522-D527 HydrophobicContact CB-CB 3.79Å; F522-D527 HydrophobicContact CD1-CB 3.86Å; F522-D527 WeakPolarHBondContact CD1-OD2 3.41Å; F522-D527 HydrophobicContact CD2-CB 4.31Å; F522-D527 HydrophobicContact CG-CB 3.7Å; S524-D527 PolarHBondContact O-N 3.48Å; S524-D527 PolarHBondContact OG-OD2 3.35Å; I525-D527 VanDerWaalsContact C-N 3.29Å; I525-D527 PolarHBondContact O-N 3.34Å; D527-Y529 VanDerWaalsContact C-N 3.29Å; D527-Y529 PolarHBondContact O-N 3.16Å |
| 528 | Q | 41 | Very low | 57.7 | Low | 155 Ų | 155 | 108.6 Ų | 108.6 | 72% | 0.724 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -76.7 | -12.2 | 178.6 | -77.5 | -178.1 | -12.8 | 0 | 0 | 113.9 | ||
| 529 | Y | 47.2 | Very low | 59.7 | Low | 164 Ų | 164 | 104.8 Ų | 104.8 | 64% | 0.643 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -115.8 | 118 | 175.3 | -60.6 | -82.8 | 0 | 0 | 0 | 107.7 | D527 E531 | D527-Y529 VanDerWaalsContact C-N 3.29Å; D527-Y529 PolarHBondContact O-N 3.16Å; Y529-E531 VanDerWaalsContact C-N 3.26Å; Y529-E531 PolarHBondContact O-N 3.12Å |
| 530 | Q | 46.8 | Very low | 61.7 | Low | 175 Ų | 175 | 103.9 Ų | 103.9 | 82% | 0.818 | 53% | 0.53 | S | S | * | . | trans | -64.7 | 88.5 | 171.7 | -91.7 | 180 | -12.1 | 0 | 0 | 109.5 | S532 | Q530-S532 PolarHBondContact O-N 3.35Š| ||
| 531 | E | 52.4 | Low | 63.8 | Low | 90 Ų | 90 | 99 Ų | 99 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | trans | -82.6 | 53.8 | -179.6 | -67.9 | -169.7 | 163 | 0 | 0 | 112.1 | Y529 | Y529-E531 VanDerWaalsContact C-N 3.26Å; Y529-E531 PolarHBondContact O-N 3.12Å | ||
| 532 | S | 53.2 | Low | 66 | Low | 49 Ų | 49 | 88.7 Ų | 88.7 | 34% | 0.343 | 47% | 0.469 | S | S | . | . | trans | -123.8 | 78.7 | 173.5 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | Q530 F534 | Q530-S532 PolarHBondContact O-N 3.35Å; S532-F534 PolarHBondContact O-N 2.89Å | ||
| 533 | Y | 65.9 | Low | 68.3 | Low | 129 Ų | 129 | 84.5 Ų | 84.5 | 51% | 0.506 | 45% | 0.451 | S | S | . | . | trans | -70.4 | -9.7 | 175.5 | -63.4 | -80.7 | 0 | 0 | 0 | 114.4 | ||||
| 534 | F | 81.3 | Confident | 70.5 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 42% | 0.416 | C | S | . | . | trans | -89.7 | 124.7 | 179.5 | 177 | -94.9 | 0 | 0 | 0 | 111.3 | N465 E492 G493 V506 L511 S532 P536 N551 | N465-F534 HydrophobicContact CB-CZ 4.1Å; E492-F534 HydrophobicContact CB-CE1 4.44Å; G493-F534 VanDerWaalsContact CA-CZ 3.42Å; V506-F534 HydrophobicContact CB-CD1 4.22Å; V506-F534 HydrophobicContact CG1-CD1 4.05Å; V506-F534 HydrophobicContact CG2-CB 4.33Å; L511-F534 HydrophobicContact CD2-CD1 4.49Å; S532-F534 PolarHBondContact O-N 2.89Å; F534-P536 HydrophobicContact CE1-CB 4.46Å; F534-P536 HydrophobicContact CE1-CG 3.86Å; F534-P536 HydrophobicContact CZ-CG 4.39Å; F534-N551 WeakPolarHBondContact CE2-O 3.32Å | ||
| 535 | H | 83.6 | Confident | 72.5 | Confident | 118 Ų | 118 | 77.9 Ų | 77.9 | 55% | 0.546 | 40% | 0.403 | S | S | . | . | trans | -123.4 | 133.8 | 165.2 | -64.9 | -69.1 | 0 | 0 | 0 | 109.3 | L537 N551 | H535-L537 PolarHBondContact O-N 2.78Å; H535-N551 PolarHBondContact N-ND2 2.98Å; H535-N551 PolarHBondContact O-ND2 2.82Å | ||
| 536 | P | 85.1 | Confident | 74.5 | Confident | 61 Ų | 61 | 73.8 Ų | 73.8 | 40% | 0.396 | 38% | 0.382 | S | S | . | . | trans | -58.5 | 128.5 | 175.6 | -22.3 | 31 | 0 | 0 | 0 | 111.4 | L511 F534 | L511-P536 HydrophobicContact CD1-CG 3.67Å; F534-P536 HydrophobicContact CE1-CB 4.46Å; F534-P536 HydrophobicContact CE1-CG 3.86Å; F534-P536 HydrophobicContact CZ-CG 4.39Å | ||
| 537 | L | 88.9 | Confident | 76.5 | Confident | 39 Ų | 39 | 72.8 Ų | 72.8 | 20% | 0.204 | 37% | 0.369 | C | S | . | . | trans | -112.8 | 145 | 178 | -63.1 | 175.8 | 0 | 0 | 0 | 110.3 | N465 N469 H535 L539 H547 N551 | N465-L537 PolarHBondContact ND2-O 2.84Å; N465-L537 PolarHBondContact OD1-N 3.24Å; N465-L537 PolarHBondContact OD1-O 3.08Å; N469-L537 PolarHBondContact ND2-O 2.99Å; N469-L537 PolarHBondContact OD1-O 3.46Å; N469-L537 VanDerWaalsContact OD1-O 3.14Å; H535-L537 PolarHBondContact O-N 2.78Å; L537-L539 HydrophobicContact CB-CD2 4.15Å; L537-L539 HydrophobicContact CB-CG 4.17Å; L537-L539 HydrophobicContact CD1-CD2 4.48Å; L537-H547 HydrophobicContact CD1-CB 4.2Å; L537-N551 HydrophobicContact CD1-CB 3.62Å; L537-N551 HydrophobicContact CG-CB 4.35Å | ||
| 538 | S | 91.8 | Very high | 78.8 | Confident | 119 Ų | 119 | 69.5 Ų | 69.5 | 83% | 0.832 | 35% | 0.352 | S | S | * | . | trans | -106 | 102.1 | 169.7 | -65.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 539 | L | 92.4 | Very high | 81 | Confident | 22 Ų | 22 | 63.7 Ų | 63.7 | 12% | 0.115 | 33% | 0.326 | C | S | . | . | trans | -102.8 | 131.6 | -173.9 | -58 | 176.2 | 0 | 0 | 0 | 111.1 | N469 S472 I473 L537 P543 | N469-L539 HydrophobicContact CB-CB 4.2Å; N469-L539 HydrophobicContact CB-CD1 4.44Å; N469-L539 PolarHBondContact OD1-N 2.88Å; S472-L539 WeakPolarHBondContact CB-O 3.29Å; S472-L539 PolarHBondContact OG-O 2.74Å; I473-L539 HydrophobicContact CD1-CB 4.15Å; L537-L539 HydrophobicContact CB-CD2 4.15Å; L537-L539 HydrophobicContact CB-CG 4.17Å; L537-L539 HydrophobicContact CD1-CD2 4.48Å; L539-P543 HydrophobicContact CD1-CB 3.89Å; L539-P543 HydrophobicContact CD1-CG 4.2Å | ||
| 540 | T | 90.9 | Very high | 82.8 | Confident | 103 Ų | 103 | 58.2 Ų | 58.2 | 63% | 0.632 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -113.7 | -14 | 173.8 | 55.2 | 0 | 0 | 0 | 0 | 112.6 | W414 | W414-T540 PolarHBondContact NE1-O 2.72Š|
| 541 | E | 93.3 | Very high | 84.8 | Confident | 76 Ų | 76 | 50.7 Ų | 50.7 | 36% | 0.355 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -130 | 163.9 | 170.9 | 66.9 | 178.1 | 165 | 0 | 0 | 109.9 | R46 V378 W414 | R46-E541 IonicContact CZ-OE2 3.56Å; R46-E541 IonicContact NH1-OE2 3.4Å; R46-E541 PolarHBondContact NH1-OE2 3.47Å; R46-E541 IonicContact NH2-OE2 2.78Å; V378-E541 HydrophobicContact CG2-CB 4.13Å; V378-E541 HydrophobicContact CG2-CG 3.87Å; V378-E541 WeakPolarHBondContact CG2-OE2 3.19Å; W414-E541 HydrophobicContact CH2-CB 4.26Å; W414-E541 HydrophobicContact CZ2-CB 3.58Å |
| 542 | P | 95.6 | Very high | 86.8 | Confident | 4 Ų | 4 | 47 Ų | 47 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -53.8 | 138.6 | 177.8 | -27.2 | 33.8 | 0 | 0 | 0 | 112 | V378 W414 H425 I427 | V378-P542 HydrophobicContact CG1-CB 3.85Å; V378-P542 HydrophobicContact CG1-CG 4.03Å; V378-P542 HydrophobicContact CG2-CB 4.39Å; V378-P542 WeakPolarHBondContact CG2-O 3.3Å; W414-P542 HydrophobicContact CB-CG 4.04Å; W414-P542 HydrophobicContact CD2-CG 3.77Å; W414-P542 HydrophobicContact CE3-CG 3.77Å; W414-P542 HydrophobicContact CG-CG 3.89Å; H425-P542 HydrophobicContact CB-CB 3.71Å; H425-P542 HydrophobicContact CB-CG 3.51Å; I427-P542 HydrophobicContact CG2-CB 4.33Å |
| 543 | P | 94.6 | Very high | 88.8 | Confident | 9 Ų | 9 | 44.9 Ų | 44.9 | 6% | 0.058 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 150 | -177.7 | 26.5 | -32.6 | 0 | 0 | 0 | 112.6 | L539 H547 L548 T552 | L539-P543 HydrophobicContact CD1-CB 3.89Å; L539-P543 HydrophobicContact CD1-CG 4.2Å; P543-H547 HydrophobicContact CB-CB 3.76Å; P543-L548 HydrophobicContact CB-CG 4.4Å; P543-L548 HydrophobicContact CG-CD2 3.61Å; P543-L548 HydrophobicContact CG-CG 3.9Å; P543-T552 HydrophobicContact CG-CG2 4.28Å |
| 544 | P | 92 | Very high | 90.2 | Very high | 25 Ų | 25 | 38.8 Ų | 38.8 | 16% | 0.162 | 22% | 0.215 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 168.5 | 164 | 30.3 | -35.8 | 0 | 0 | 0 | 112.2 | P376 D546 H547 L548 | P376-P544 HydrophobicContact CB-CB 4.02Å; P376-P544 HydrophobicContact CB-CG 4.23Å; P544-D546 VanDerWaalsContact CB-OD1 3.24Å; P544-D546 WeakPolarHBondContact CB-OD1 3.41Å; P544-D546 WeakPolarHBondContact CG-OD1 3.24Å; P544-D546 PolarHBondContact O-N 2.82Å; P544-H547 WeakPolarHBondContact CD-ND1 3.26Å; P544-H547 HydrophobicContact CG-CB 4.25Å; P544-H547 PolarHBondContact O-N 3.31Å; P544-L548 PolarHBondContact O-N 3.4Å |
| 545 | E | 89.8 | Confident | 90.8 | Very high | 14 Ų | 14 | 38.9 Ų | 38.9 | 7% | 0.065 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -35.8 | -171.8 | -177.9 | 67.6 | -166.2 | 0 | 0 | 113.8 | A360 H362 S381 R429 L548 L549 | A360-E545 HydrophobicContact CB-CG 3.72Å; H362-E545 VanDerWaalsContact CE1-CB 3.45Å; H362-E545 WeakPolarHBondContact CE1-CB 3.48Å; S381-E545 PolarHBondContact OG-OE2 3.2Å; R429-E545 IonicContact CZ-OE1 3.68Å; R429-E545 VanDerWaalsContact CZ-OE1 3.24Å; R429-E545 IonicContact CZ-OE2 2.96Å; R429-E545 IonicContact NH1-OE1 2.8Å; R429-E545 PolarHBondContact NH1-OE1 2.92Å; R429-E545 VanDerWaalsContact NH2-CD 3.28Å; R429-E545 IonicContact NH2-OE1 2.85Å; R429-E545 PolarHBondContact NH2-OE1 3.47Å; R429-E545 IonicContact NH2-OE2 3.5Å; R429-E545 PolarHBondContact NH2-OE2 3Å; E545-L548 WeakPolarHBondContact O-CB 3.31Å; E545-L548 PolarHBondContact O-N 2.96Å; E545-L549 HydrophobicContact CG-CD1 4.15Å; E545-L549 WeakPolarHBondContact O-CD1 3.32Å; E545-L549 VanDerWaalsContact O-CG 3.26Å; E545-L549 WeakPolarHBondContact O-CG 3.24Å; E545-L549 PolarHBondContact O-N 3.46Å |
| 546 | D | 86.6 | Confident | 91.3 | Very high | 52 Ų | 52 | 34.7 Ų | 34.7 | 28% | 0.278 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.3 | -45.3 | 175.4 | 59 | -35.6 | 0 | 0 | 0 | 111.8 | P544 L549 Q550 | P544-D546 VanDerWaalsContact CB-OD1 3.24Å; P544-D546 WeakPolarHBondContact CB-OD1 3.41Å; P544-D546 WeakPolarHBondContact CG-OD1 3.24Å; P544-D546 PolarHBondContact O-N 2.82Å; D546-L549 PolarHBondContact O-N 2.79Å; D546-Q550 PolarHBondContact O-N 2.91Å |
| 547 | H | 90.6 | Very high | 91.7 | Very high | 52 Ų | 52 | 35 Ų | 35 | 24% | 0.241 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.6 | -39.7 | 173.6 | -69.9 | 176.5 | 0 | 0 | 0 | 111.7 | L537 P543 P544 L549 Q550 N551 T552 | L537-H547 HydrophobicContact CD1-CB 4.2Å; P543-H547 HydrophobicContact CB-CB 3.76Å; P544-H547 WeakPolarHBondContact CD-ND1 3.26Å; P544-H547 HydrophobicContact CG-CB 4.25Å; P544-H547 PolarHBondContact O-N 3.31Å; H547-L549 VanDerWaalsContact C-N 3.27Å; H547-L549 PolarHBondContact O-N 2.74Å; H547-Q550 PolarHBondContact O-N 3.36Å; H547-N551 PolarHBondContact O-N 2.91Å; H547-T552 PolarHBondContact O-N 2.84Å |
| 548 | L | 91.9 | Very high | 92 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.3 | -42.4 | 175.6 | -75.7 | 171.2 | 0 | 0 | 0 | 111.2 | E426 P543 P544 E545 T552 | E426-L548 HydrophobicContact CB-CD1 4.27Å; E426-L548 HydrophobicContact CG-CD1 4.08Å; E426-L548 HydrophobicContact CG-CD2 3.92Å; P543-L548 HydrophobicContact CB-CG 4.4Å; P543-L548 HydrophobicContact CG-CD2 3.61Å; P543-L548 HydrophobicContact CG-CG 3.9Å; P544-L548 PolarHBondContact O-N 3.4Å; E545-L548 WeakPolarHBondContact O-CB 3.31Å; E545-L548 PolarHBondContact O-N 2.96Å; L548-T552 WeakPolarHBondContact CA-OG1 3.45Å; L548-T552 HydrophobicContact CD2-CG2 4.38Å; L548-T552 PolarHBondContact O-OG1 2.9Å |
| 549 | L | 87.6 | Confident | 92.2 | Very high | 33 Ų | 33 | 34.3 Ų | 34.3 | 17% | 0.173 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.8 | -30.8 | -177.5 | -73.3 | 164.9 | 0 | 0 | 0 | 114.2 | T337 I432 E545 D546 H547 | T337-L549 HydrophobicContact CG2-CD1 3.48Å; T337-L549 VanDerWaalsContact CG2-CD1 3.48Å; T337-L549 HydrophobicContact CG2-CD2 4.42Å; I432-L549 HydrophobicContact CD1-CB 4.46Å; I432-L549 HydrophobicContact CD1-CD2 3.68Å; I432-L549 WeakPolarHBondContact CD1-O 3.44Å; E545-L549 HydrophobicContact CG-CD1 4.15Å; E545-L549 WeakPolarHBondContact O-CD1 3.32Å; E545-L549 VanDerWaalsContact O-CG 3.26Å; E545-L549 WeakPolarHBondContact O-CG 3.24Å; E545-L549 PolarHBondContact O-N 3.46Å; D546-L549 PolarHBondContact O-N 2.79Å; H547-L549 VanDerWaalsContact C-N 3.27Å; H547-L549 PolarHBondContact O-N 2.74Å |
| 550 | Q | 84.8 | Confident | 92.4 | Very high | 48 Ų | 48 | 33.5 Ų | 33.5 | 22% | 0.224 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -118.2 | -43.4 | -168.4 | -59 | -178.3 | 18.5 | 0 | 0 | 113.6 | D546 H547 | D546-Q550 PolarHBondContact O-N 2.91Å; H547-Q550 PolarHBondContact O-N 3.36Å |
| 551 | N | 89.1 | Confident | 92.6 | Very high | 18 Ų | 18 | 36 Ų | 36 | 10% | 0.096 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -9.4 | -168 | -60.4 | 80.9 | 0 | 0 | 0 | 114 | F534 H535 L537 H547 | F534-N551 WeakPolarHBondContact CE2-O 3.32Å; H535-N551 PolarHBondContact N-ND2 2.98Å; H535-N551 PolarHBondContact O-ND2 2.82Å; L537-N551 HydrophobicContact CD1-CB 3.62Å; L537-N551 HydrophobicContact CG-CB 4.35Å; H547-N551 PolarHBondContact O-N 2.91Å |
| 552 | T | 94.3 | Very high | 92.6 | Very high | 11 Ų | 11 | 34.6 Ų | 34.6 | 7% | 0.067 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -111.4 | 12.4 | -174.5 | 74.8 | 0 | 0 | 0 | 0 | 114.7 | S428 R429 P543 H547 L548 | S428-T552 WeakPolarHBondContact CA-OG1 3.4Å; S428-T552 PolarHBondContact OG-O 3.48Å; R429-T552 PolarHBondContact N-OG1 3.41Å; P543-T552 HydrophobicContact CG-CG2 4.28Å; H547-T552 PolarHBondContact O-N 2.84Å; L548-T552 WeakPolarHBondContact CA-OG1 3.45Å; L548-T552 HydrophobicContact CD2-CG2 4.38Å; L548-T552 PolarHBondContact O-OG1 2.9Å |
| 553 | L | 94.6 | Very high | 92.5 | Very high | 6 Ų | 6 | 35.6 Ų | 35.6 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | trans | -65.3 | 149.6 | 175.9 | -60.7 | 175 | 0 | 0 | 0 | 111.2 | R429 I432 A494 T496 | R429-L553 WeakPolarHBondContact O-CD2 3.27Å; I432-L553 HydrophobicContact CD1-CD2 4.01Å; I432-L553 HydrophobicContact CG1-CD2 4.03Å; A494-L553 HydrophobicContact CB-CB 4.14Å; T496-L553 WeakPolarHBondContact OG1-CD1 3.42Å | ||
| 554 | W | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -104.9 | 138.4 | 172.5 | -69.9 | 18 | 0 | 0 | 0 | 109.8 | L410 S428 P430 F446 F448 F460 A462 F466 N503 | L410-W554 HydrophobicContact CD1-CH2 4.21Å; L410-W554 HydrophobicContact CD1-CZ2 3.76Å; S428-W554 PolarHBondContact OG-NE1 3.3Å; P430-W554 HydrophobicContact CB-CB 3.91Å; P430-W554 HydrophobicContact CB-CD2 3.76Å; P430-W554 HydrophobicContact CB-CE3 4.31Å; P430-W554 HydrophobicContact CB-CG 3.58Å; P430-W554 HydrophobicContact CG-CD2 3.92Å; P430-W554 HydrophobicContact CG-CG 4.08Å; P430-W554 HydrophobicContact CG-CZ2 4.2Å; P430-W554 PolarHBondContact O-N 3.5Å; F446-W554 WeakPolarHBondContact O-CZ3 3.49Å; F448-W554 AromaticContact CD1-CE3 3.79Å; F448-W554 HydrophobicContact CD1-CE3 3.79Å; F448-W554 AromaticContact CD1-CZ3 3.61Å; F448-W554 HydrophobicContact CD1-CZ3 3.61Å; F448-W554 HydrophobicContact CE1-CD2 4.27Å; F448-W554 AromaticContact CE1-CE3 3.52Å; F448-W554 HydrophobicContact CE1-CE3 3.52Å; F448-W554 AromaticContact CE1-CZ3 3.79Å; F448-W554 HydrophobicContact CE1-CZ3 3.79Å; F460-W554 HydrophobicContact CB-CB 4.27Å; F460-W554 HydrophobicContact CB-CE3 4.45Å; F460-W554 WeakPolarHBondContact CD1-O 3.46Å; A462-W554 VanDerWaalsContact CA-CD2 3.44Å; A462-W554 HydrophobicContact CB-CD2 3.66Å; A462-W554 VanDerWaalsContact CB-CE2 3.46Å; A462-W554 HydrophobicContact CB-CE3 3.81Å; A462-W554 HydrophobicContact CB-CG 4.39Å; A462-W554 HydrophobicContact CB-CH2 3.69Å; A462-W554 HydrophobicContact CB-CZ2 3.51Å; A462-W554 HydrophobicContact CB-CZ3 3.81Å; A462-W554 VanDerWaalsContact N-CE3 3.34Å; F466-W554 AromaticContact CD1-CZ2 3.83Å; F466-W554 HydrophobicContact CD1-CZ2 3.83Å; F466-W554 AromaticContact CD1-NE1 4Å; F466-W554 AromaticContact CD2-NE1 3.74Å; F466-W554 HydrophobicContact CE1-CH2 4.37Å; F466-W554 AromaticContact CE1-CZ2 3.52Å; F466-W554 HydrophobicContact CE1-CZ2 3.52Å; F466-W554 HydrophobicContact CE2-CZ2 4.25Å; F466-W554 HydrophobicContact CG-CZ2 4.31Å; F466-W554 AromaticContact CG-NE1 3.64Å; F466-W554 AromaticContact CZ-CZ2 3.76Å; F466-W554 HydrophobicContact CZ-CZ2 3.76Å; N503-W554 WeakPolarHBondContact CB-O 3.29Å; N503-W554 PolarHBondContact ND2-O 3.21Å | ||
| 555 | P | 94.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.013 | 21% | 0.211 | C | C | . | . | trans | -65.2 | 138.5 | 175.9 | 24.5 | -33.9 | 0 | 0 | 0 | 111.9 | F460 Q461 P491 A494 A505 | F460-P555 WeakPolarHBondContact CA-O 3.32Å; Q461-P555 PolarHBondContact N-O 2.9Å; Q461-P555 WeakPolarHBondContact O-CD 3.34Å; Q461-P555 WeakPolarHBondContact O-CG 3.43Å; P491-P555 HydrophobicContact CG-CB 4.49Å; P491-P555 HydrophobicContact CG-CG 3.65Å; A494-P555 HydrophobicContact CB-CB 4.03Å; A494-P555 HydrophobicContact CB-CG 4.42Å; A505-P555 HydrophobicContact CB-CB 3.85Å | ||
| 556 | E | 94.7 | Very high | 92.8 | Very high | 31 Ų | 31 | 41.9 Ų | 41.9 | 15% | 0.145 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 125.6 | 169 | -170.6 | -169.1 | 88.9 | 0 | 0 | 108.6 | R458 V459 F460 S502 N503 K559 | R458-E556 WeakPolarHBondContact CD-OE2 3.36Å; R458-E556 IonicContact NE-OE2 2.81Å; R458-E556 PolarHBondContact NE-OE2 2.73Å; V459-E556 CarbonylContact O-C 3.57Å; V459-E556 WeakPolarHBondContact O-CA 3.47Å; F460-E556 HydrophobicContact CD1-CB 4.19Å; F460-E556 HydrophobicContact CE1-CB 3.84Å; F460-E556 HydrophobicContact CE1-CG 4.29Å; F460-E556 HydrophobicContact CZ-CB 4.42Å; F460-E556 HydrophobicContact CZ-CG 4.4Å; S502-E556 WeakPolarHBondContact OG-CB 3.4Å; S502-E556 PolarHBondContact OG-OE1 2.93Å; S502-E556 PolarHBondContact OG-OE2 2.82Å; N503-E556 PolarHBondContact O-N 2.84Å; E556-K559 WeakPolarHBondContact OE1-CE 3.12Å; E556-K559 WeakPolarHBondContact OE1-CG 3.26Å; E556-K559 IonicContact OE1-NZ 3.67Å |
| 557 | V | 93.6 | Very high | 93.4 | Very high | 68 Ų | 68 | 39.5 Ų | 39.5 | 41% | 0.412 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | -26.2 | -178.6 | -61.8 | 0 | 0 | 0 | 0 | 113 | V459 Q461 | V459-V557 HydrophobicContact CB-CG2 3.73Å; V459-V557 HydrophobicContact CG1-CG2 3.5Å; V459-V557 WeakPolarHBondContact O-CG2 3.34Å; V459-V557 PolarHBondContact O-N 3.43Å; Q461-V557 HydrophobicContact CB-CG1 3.58Å |
| 558 | Q | 95.3 | Very high | 93.7 | Very high | 81 Ų | 81 | 39.7 Ų | 39.7 | 38% | 0.379 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 147.9 | -176.9 | -171.1 | 62.4 | 34.3 | 0 | 0 | 112.3 | V459 L560 W601 | V459-Q558 HydrophobicContact CB-CB 3.98Å; V459-Q558 HydrophobicContact CG2-CB 3.85Å; V459-Q558 HydrophobicContact CG2-CG 4.49Å; V459-Q558 PolarHBondContact N-O 2.98Å; Q558-L560 HydrophobicContact CG-CD2 3.77Å; Q558-W601 HydrophobicContact CB-CG 4.28Å; Q558-W601 HydrophobicContact CG-CB 3.72Å; Q558-W601 HydrophobicContact CG-CD2 4.43Å; Q558-W601 HydrophobicContact CG-CG 3.75Å |
| 559 | K | 95.1 | Very high | 93.9 | Very high | 62 Ų | 62 | 39.6 Ų | 39.6 | 27% | 0.27 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 135.6 | 166.7 | -62 | -174.1 | -177.2 | -172.1 | 0 | 110.3 | V456 L457 E556 Y561 | V456-K559 HydrophobicContact CG1-CB 4.06Å; V456-K559 HydrophobicContact CG1-CG 4.49Å; L457-K559 CarbonylContact O-C 3.56Å; L457-K559 WeakPolarHBondContact O-CA 3.26Å; E556-K559 WeakPolarHBondContact OE1-CE 3.12Å; E556-K559 WeakPolarHBondContact OE1-CG 3.26Å; E556-K559 IonicContact OE1-NZ 3.67Å; K559-Y561 HydrophobicContact CB-CD2 4.47Å; K559-Y561 HydrophobicContact CB-CE2 3.7Å; K559-Y561 WeakPolarHBondContact CD-OH 3.19Å |
| 560 | L | 96.2 | Very high | 94.4 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 122.6 | 176.7 | -37.3 | 173.7 | 0 | 0 | 0 | 109.7 | L457 V459 Q558 W596 W601 | L457-L560 HydrophobicContact CB-CB 4.01Å; L457-L560 HydrophobicContact CB-CD1 4.01Å; L457-L560 HydrophobicContact CB-CG 4.15Å; L457-L560 HydrophobicContact CD1-CD1 4.17Å; L457-L560 PolarHBondContact N-O 3.38Å; L457-L560 PolarHBondContact O-N 2.86Å; V459-L560 HydrophobicContact CG2-CG 4.47Å; Q558-L560 HydrophobicContact CG-CD2 3.77Å; L560-W596 HydrophobicContact CB-CD2 4.5Å; L560-W596 HydrophobicContact CB-CE3 4.03Å; L560-W596 HydrophobicContact CB-CH2 4.21Å; L560-W596 HydrophobicContact CB-CZ3 3.88Å; L560-W596 HydrophobicContact CD1-CD2 4.11Å; L560-W596 HydrophobicContact CD1-CE3 4.19Å; L560-W596 HydrophobicContact CD1-CG 4.24Å; L560-W596 HydrophobicContact CG-CE3 4.5Å; L560-W601 HydrophobicContact CD1-CE3 3.83Å; L560-W601 HydrophobicContact CD1-CZ3 4.14Å; L560-W601 HydrophobicContact CD2-CB 3.64Å; L560-W601 HydrophobicContact CD2-CD2 4.19Å; L560-W601 HydrophobicContact CD2-CE3 3.8Å; L560-W601 HydrophobicContact CD2-CG 4.17Å; L560-W601 WeakPolarHBondContact CD2-O 3.41Å; L560-W601 HydrophobicContact CG-CE3 4.4Å |
| 561 | Y | 95.6 | Very high | 95 | Very high | 155 Ų | 155 | 36.1 Ų | 36.1 | 61% | 0.608 | 19% | 0.193 | S | C | * | . | trans | -110.7 | 132.4 | 178.7 | -60.1 | -88.5 | 0 | 0 | 0 | 109.4 | V456 K559 W596 | V456-Y561 HydrophobicContact CG1-CD1 4.43Å; V456-Y561 HydrophobicContact CG1-CE1 4.15Å; V456-Y561 HydrophobicContact CG2-CD1 3.72Å; V456-Y561 HydrophobicContact CG2-CE1 3.54Å; K559-Y561 HydrophobicContact CB-CD2 4.47Å; K559-Y561 HydrophobicContact CB-CE2 3.7Å; K559-Y561 WeakPolarHBondContact CD-OH 3.19Å; Y561-W596 WeakPolarHBondContact O-CH2 3.38Å | ||
| 562 | G | 92.2 | Very high | 95.4 | Very high | 47 Ų | 47 | 36.3 Ų | 36.3 | 49% | 0.485 | 20% | 0.196 | S | C | . | . | trans | 175.6 | -29.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 563 | H | 94.8 | Very high | 95.4 | Very high | 24 Ų | 24 | 35.8 Ų | 35.8 | 11% | 0.111 | 19% | 0.193 | C | C | . | . | trans | -80.7 | 144.1 | 172.5 | -74.3 | -70.9 | 0 | 0 | 0 | 111.6 | M567 S581 C583 | H563-M567 HydrophobicContact CB-SD 3.94Å; H563-M567 WeakPolarHBondContact CD2-CE 3.46Å; H563-S581 PolarHBondContact CD2-OG 3.06Å; H563-S581 PolarHBondContact NE2-O 3.43Å; H563-S581 PolarHBondContact NE2-OG 2.99Å; H563-C583 HydrophobicContact CB-CB 3.93Å; H563-C583 PolarHBondContact ND1-SG 2.91Å | ||
| 564 | G | 91.3 | Very high | 95.2 | Very high | 45 Ų | 45 | 38.6 Ų | 38.6 | 46% | 0.464 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -91.4 | -9.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | K455 | K455-G564 WeakPolarHBondContact CD-O 3.34Š|
| 565 | F | 95.8 | Very high | 94.9 | Very high | 74 Ų | 74 | 41.5 Ų | 41.5 | 33% | 0.325 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -136.1 | 172 | -172.6 | -66.7 | -86.2 | 0 | 0 | 0 | 111.2 | K455 C583 K584 H590 | K455-F565 WeakPolarHBondContact CA-O 2.97Å; K455-F565 WeakPolarHBondContact CB-O 3.08Å; F565-C583 HydrophobicContact CB-CB 4.24Å; F565-C583 WeakPolarHBondContact O-CB 3.43Å; F565-K584 VanDerWaalsContact CB-O 3.26Å; F565-K584 WeakPolarHBondContact CB-O 3.43Å; F565-H590 HydrophobicContact CD2-CB 4.02Å; F565-H590 AromaticContact CD2-CD2 4Å; F565-H590 AromaticContact CD2-CG 3.79Å; F565-H590 HydrophobicContact CE2-CB 4.13Å; F565-H590 AromaticContact CE2-CD2 3.23Å; F565-H590 WeakPolarHBondContact CE2-CD2 3.11Å; F565-H590 AromaticContact CE2-CE1 3.65Å; F565-H590 AromaticContact CE2-CG 3.41Å; F565-H590 VanDerWaalsContact CE2-CG 3.41Å; F565-H590 AromaticContact CE2-ND1 3.66Å; F565-H590 AromaticContact CE2-NE2 3.39Å; F565-H590 WeakPolarHBondContact CE2-NE2 3.5Å; F565-H590 AromaticContact CZ-CD2 3.85Å; F565-H590 AromaticContact CZ-NE2 3.86Å |
| 566 | E | 96.3 | Very high | 94.8 | Very high | 62 Ų | 62 | 44.3 Ų | 44.3 | 29% | 0.29 | 25% | 0.249 | S | C | . | . | trans | -57.4 | 139.4 | -176.9 | -57.8 | 90.5 | 164.2 | 0 | 0 | 111.6 | D453 C583 K584 | D453-E566 HydrophobicContact CB-CB 4.29Å; D453-E566 HydrophobicContact CB-CG 3.94Å; D453-E566 WeakPolarHBondContact O-CG 3.41Å; D453-E566 WeakPolarHBondContact OD1-CB 3.39Å; E566-C583 CarbonylContact O-C 3.53Å; E566-C583 WeakPolarHBondContact O-CA 3.38Å; E566-C583 WeakPolarHBondContact O-CB 3.23Å; E566-K584 HydrophobicContact CB-CD 3.93Å; E566-K584 HydrophobicContact CB-CG 4.32Å; E566-K584 PolarHBondContact O-N 3.23Å | ||
| 567 | M | 97.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 145 | -179.2 | -60.2 | -51.4 | -47 | 0 | 0 | 111 | Q438 A452 L457 H563 A582 | Q438-M567 WeakPolarHBondContact CB-O 3.27Å; Q438-M567 WeakPolarHBondContact CG-O 3.27Å; A452-M567 PolarHBondContact O-N 2.91Å; L457-M567 HydrophobicContact CD1-CE 4.18Å; L457-M567 HydrophobicContact CD2-CE 3.74Å; L457-M567 HydrophobicContact CD2-CG 3.86Å; L457-M567 HydrophobicContact CD2-SD 4.08Å; L457-M567 HydrophobicContact CG-CE 4Å; L457-M567 HydrophobicContact CG-CG 4.39Å; L457-M567 HydrophobicContact CG-SD 4.1Å; H563-M567 HydrophobicContact CB-SD 3.94Å; H563-M567 WeakPolarHBondContact CD2-CE 3.46Å; M567-A582 WeakPolarHBondContact CE-O 3.49Å |
| 568 | F | 97.2 | Very high | 94.7 | Very high | 56 Ų | 56 | 42.9 Ų | 42.9 | 25% | 0.246 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | -48.9 | -180 | -163.6 | -86.8 | 0 | 0 | 0 | 113 | A582 K584 T613 V614 T615 | F568-A582 PolarHBondContact N-O 3.08Å; F568-K584 HydrophobicContact CB-CG 4.48Å; F568-K584 HydrophobicContact CD2-CG 3.88Å; F568-T613 HydrophobicContact CB-CG2 3.95Å; F568-T613 HydrophobicContact CD1-CG2 3.81Å; F568-T613 HydrophobicContact CD2-CG2 3.68Å; F568-T613 HydrophobicContact CE1-CG2 4.28Å; F568-T613 HydrophobicContact CE2-CG2 4.12Å; F568-T613 HydrophobicContact CG-CG2 3.49Å; F568-T613 VanDerWaalsContact CG-CG2 3.49Å; F568-T613 HydrophobicContact CZ-CG2 4.4Å; F568-V614 VanDerWaalsContact CD1-O 3.24Å; F568-V614 WeakPolarHBondContact CD1-O 3.47Å; F568-T615 HydrophobicContact CE1-CG2 4.2Å; F568-T615 WeakPolarHBondContact CE1-O 3.24Å |
| 569 | C | 97.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 153 | -180 | 66.8 | 0 | 0 | 0 | 0 | 113.3 | A582 | C569-A582 PolarHBondContact N-O 3.15Å; C569-A582 PolarHBondContact O-N 3.11Å; C569-A582 VanDerWaalsContact O-N 3.07Å |
| 570 | L | 97.7 | Very high | 94.9 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 152.5 | 177.6 | -70.2 | 165.5 | 0 | 0 | 0 | 110.9 | C439 A441 V449 L457 V579 A580 | C439-L570 HydrophobicContact CB-CB 4.35Å; C439-L570 HydrophobicContact CB-CD1 4.24Å; C439-L570 HydrophobicContact CB-CG 4.22Å; C439-L570 VanDerWaalsContact SG-CD1 3.59Å; A441-L570 HydrophobicContact CB-CB 3.92Å; V449-L570 HydrophobicContact CG1-CD1 4.33Å; L457-L570 HydrophobicContact CD1-CD2 3.92Å; L457-L570 HydrophobicContact CD2-CD1 3.73Å; L457-L570 HydrophobicContact CD2-CD2 3.65Å; L457-L570 HydrophobicContact CD2-CG 4.11Å; L457-L570 HydrophobicContact CG-CD2 4.45Å; L570-V579 HydrophobicContact CD2-CG1 3.98Å; L570-A580 WeakPolarHBondContact CA-O 3.27Å |
| 571 | A | 97.8 | Very high | 95 | Very high | 7 Ų | 7 | 35.9 Ų | 35.9 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 149.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V579 A580 L617 F619 | A571-V579 CarbonylContact O-C 3.58Å; A571-V579 WeakPolarHBondContact O-CA 3.27Å; A571-A580 PolarHBondContact N-O 2.9Å; A571-A580 PolarHBondContact O-N 3.46Å; A571-L617 HydrophobicContact CB-CB 3.72Å; A571-F619 HydrophobicContact CB-CD2 4.04Å; A571-F619 HydrophobicContact CB-CE2 4.21Å |
| 572 | S | 96.9 | Very high | 95.1 | Very high | 21 Ų | 21 | 28.5 Ų | 28.5 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 147.5 | 170.6 | -179.6 | 0 | 0 | 0 | 0 | 109.9 | M442 L578 F619 | M442-S572 WeakPolarHBondContact O-CB 3.41Å; S572-L578 VanDerWaalsContact CA-O 3.31Å; S572-L578 WeakPolarHBondContact CA-O 3.41Å; S572-L578 PolarHBondContact OG-O 2.82Å; S572-F619 VanDerWaalsContact C-CD2 3.45Å |
| 573 | D | 94.8 | Very high | 95.4 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | trans | -69.8 | 166.5 | 178 | 72.2 | -34.5 | 0 | 0 | 0 | 112 | A575 K576 T577 L578 F619 A623 R640 | D573-A575 VanDerWaalsContact C-N 3.27Å; D573-A575 PolarHBondContact O-N 2.87Å; D573-K576 WeakPolarHBondContact O-CD 3.25Å; D573-K576 WeakPolarHBondContact O-CE 3.31Å; D573-K576 PolarHBondContact O-N 3.37Å; D573-K576 PolarHBondContact O-NZ 2.86Å; D573-K576 VanDerWaalsContact OD1-CA 3.28Å; D573-K576 WeakPolarHBondContact OD1-CA 2.81Å; D573-K576 PolarHBondContact OD1-N 3.14Å; D573-T577 PolarHBondContact OD1-N 3.17Å; D573-T577 PolarHBondContact OD2-OG1 2.95Å; D573-L578 PolarHBondContact N-O 2.86Å; D573-L578 PolarHBondContact OD1-N 2.83Å; D573-F619 HydrophobicContact CB-CB 4.36Å; D573-F619 HydrophobicContact CB-CD1 4.03Å; D573-F619 HydrophobicContact CB-CD2 4.17Å; D573-F619 HydrophobicContact CB-CE1 4.34Å; D573-F619 HydrophobicContact CB-CE2 4.47Å; D573-F619 HydrophobicContact CB-CG 3.93Å; D573-A623 HydrophobicContact CB-CB 4.17Å; D573-R640 IonicContact OD2-NH1 3.88Å | ||
| 574 | S | 90.9 | Very high | 95.5 | Very high | 64 Ų | 64 | 28.3 Ų | 28.3 | 45% | 0.448 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -32.2 | 179.7 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | K576 P621 | S574-K576 VanDerWaalsContact C-N 3.29Å; S574-K576 PolarHBondContact O-N 2.9Å; S574-P621 VanDerWaalsContact CB-O 3.23Å; S574-P621 WeakPolarHBondContact CB-O 3.28Å; S574-P621 PolarHBondContact OG-O 3.25Å |
| 575 | A | 88.9 | Confident | 95.8 | Very high | 62 Ų | 62 | 26.6 Ų | 26.6 | 51% | 0.512 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -6.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D573 T577 | D573-A575 VanDerWaalsContact C-N 3.27Å; D573-A575 PolarHBondContact O-N 2.87Å; A575-T577 HydrophobicContact CB-CG2 3.99Å; A575-T577 PolarHBondContact O-N 3.43Å |
| 576 | K | 91.6 | Very high | 95.8 | Very high | 61 Ų | 61 | 27.6 Ų | 27.6 | 27% | 0.265 | 16% | 0.164 | S | C | . | . | S | Bend | trans | 58.8 | 29.1 | -179.5 | -46.7 | -62.3 | 159.7 | -150 | 0 | 114.1 | M442 V443 D573 S574 T598 | M442-K576 WeakPolarHBondContact O-CD 3.27Å; V443-K576 WeakPolarHBondContact O-CB 3.5Å; D573-K576 WeakPolarHBondContact O-CD 3.25Å; D573-K576 WeakPolarHBondContact O-CE 3.31Å; D573-K576 PolarHBondContact O-N 3.37Å; D573-K576 PolarHBondContact O-NZ 2.86Å; D573-K576 VanDerWaalsContact OD1-CA 3.28Å; D573-K576 WeakPolarHBondContact OD1-CA 2.81Å; D573-K576 PolarHBondContact OD1-N 3.14Å; S574-K576 VanDerWaalsContact C-N 3.29Å; S574-K576 PolarHBondContact O-N 2.9Å; K576-T598 WeakPolarHBondContact O-CG2 3.17Å; K576-T598 PolarHBondContact O-OG1 2.9Å |
| 577 | T | 91.4 | Very high | 95.7 | Very high | 57 Ų | 57 | 30.2 Ų | 30.2 | 35% | 0.35 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -95.2 | -21.7 | 179 | 63.5 | 0 | 0 | 0 | 0 | 112.5 | D573 A575 T598 | D573-T577 PolarHBondContact OD1-N 3.17Å; D573-T577 PolarHBondContact OD2-OG1 2.95Å; A575-T577 HydrophobicContact CB-CG2 3.99Å; A575-T577 PolarHBondContact O-N 3.43Å; T577-T598 VanDerWaalsContact C-OG1 3.27Å; T577-T598 VanDerWaalsContact CA-OG1 3.27Å; T577-T598 WeakPolarHBondContact CA-OG1 3.43Å; T577-T598 PolarHBondContact O-N 3.19Å; T577-T598 PolarHBondContact O-OG1 2.89Å |
| 578 | L | 94.3 | Very high | 95.5 | Very high | 12 Ų | 12 | 32.8 Ų | 32.8 | 6% | 0.063 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 148.7 | -173.8 | -63.9 | 175.3 | 0 | 0 | 0 | 111.9 | S572 D573 W596 L604 F619 F652 | S572-L578 VanDerWaalsContact CA-O 3.31Å; S572-L578 WeakPolarHBondContact CA-O 3.41Å; S572-L578 PolarHBondContact OG-O 2.82Å; D573-L578 PolarHBondContact N-O 2.86Å; D573-L578 PolarHBondContact OD1-N 2.83Å; L578-W596 WeakPolarHBondContact CA-O 3.29Å; L578-L604 HydrophobicContact CD2-CD1 3.45Å; L578-L604 VanDerWaalsContact CD2-CD1 3.45Å; L578-F619 HydrophobicContact CB-CZ 4.41Å; L578-F652 HydrophobicContact CD1-CE2 3.75Å; L578-F652 HydrophobicContact CD1-CZ 4.31Å |
| 579 | V | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134.4 | 167 | 175 | 0 | 0 | 0 | 0 | 108.7 | V443 V449 L570 A571 L595 W596 T598 W601 | V443-V579 HydrophobicContact CG1-CG2 3.32Å; V449-V579 HydrophobicContact CG2-CG2 4.18Å; L570-V579 HydrophobicContact CD2-CG1 3.98Å; A571-V579 CarbonylContact O-C 3.58Å; A571-V579 WeakPolarHBondContact O-CA 3.27Å; V579-L595 CarbonylContact O-C 3.58Å; V579-L595 WeakPolarHBondContact O-CA 3.39Å; V579-W596 HydrophobicContact CB-CB 4.34Å; V579-W596 PolarHBondContact N-O 2.68Å; V579-W596 PolarHBondContact O-N 3.03Å; V579-T598 HydrophobicContact CG2-CG2 3.82Å; V579-W601 HydrophobicContact CG2-CZ3 4.43Å |
| 580 | A | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 136.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | L570 A571 V593 L594 L595 L617 F619 L626 | L570-A580 WeakPolarHBondContact CA-O 3.27Å; A571-A580 PolarHBondContact N-O 2.9Å; A571-A580 PolarHBondContact O-N 3.46Å; A580-V593 HydrophobicContact CB-CG1 4.04Å; A580-L594 CarbonylContact C-O 3.59Å; A580-L594 WeakPolarHBondContact CA-O 3.43Å; A580-L595 HydrophobicContact CB-CD2 3.63Å; A580-L617 HydrophobicContact CB-CD1 3.96Å; A580-F619 HydrophobicContact CB-CE2 3.77Å; A580-F619 HydrophobicContact CB-CZ 3.84Å; A580-L626 HydrophobicContact CB-CD1 4.18Å; A580-L626 HydrophobicContact CB-CD2 3.93Å |
| 581 | S | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 149 | -178.8 | 72.8 | 0 | 0 | 0 | 0 | 113.4 | H563 V593 L594 W596 | H563-S581 PolarHBondContact CD2-OG 3.06Å; H563-S581 PolarHBondContact NE2-O 3.43Å; H563-S581 PolarHBondContact NE2-OG 2.99Å; S581-V593 WeakPolarHBondContact O-CA 3.46Å; S581-L594 PolarHBondContact N-O 2.78Å; S581-L594 PolarHBondContact O-N 3.07Å; S581-W596 PolarHBondContact OG-NE1 2.84Å |
| 582 | A | 98.1 | Very high | 95 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 150.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | M567 F568 C569 V614 L617 | M567-A582 WeakPolarHBondContact CE-O 3.49Å; F568-A582 PolarHBondContact N-O 3.08Å; C569-A582 PolarHBondContact N-O 3.15Å; C569-A582 PolarHBondContact O-N 3.11Å; C569-A582 VanDerWaalsContact O-N 3.07Å; A582-V614 HydrophobicContact CB-CB 3.74Å; A582-V614 HydrophobicContact CB-CG1 4.24Å; A582-V614 HydrophobicContact CB-CG2 4.33Å; A582-L617 HydrophobicContact CB-CD1 4.36Å |
| 583 | C | 97.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.014 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 171.5 | 179.1 | 65.9 | 0 | 0 | 0 | 0 | 112.4 | H563 F565 E566 A585 H590 | H563-C583 HydrophobicContact CB-CB 3.93Å; H563-C583 PolarHBondContact ND1-SG 2.91Å; F565-C583 HydrophobicContact CB-CB 4.24Å; F565-C583 WeakPolarHBondContact O-CB 3.43Å; E566-C583 CarbonylContact O-C 3.53Å; E566-C583 WeakPolarHBondContact O-CA 3.38Å; E566-C583 WeakPolarHBondContact O-CB 3.23Å; C583-A585 PolarHBondContact O-N 2.7Å; C583-H590 PolarHBondContact SG-O 2.93Å; C583-H590 VanDerWaalsContact SG-O 3.37Å |
| 584 | K | 97.1 | Very high | 95.2 | Very high | 65 Ų | 65 | 38.9 Ų | 38.9 | 28% | 0.283 | 23% | 0.225 | S | C | . | . | trans | -61.7 | 128.1 | 171.1 | -69.4 | -178.9 | -170.7 | 151.1 | 0 | 109.1 | D453 F565 E566 F568 | D453-K584 IonicContact OD1-NZ 3.6Å; D453-K584 PolarHBondContact OD1-NZ 3.16Å; D453-K584 IonicContact OD2-NZ 3.92Å; F565-K584 VanDerWaalsContact CB-O 3.26Å; F565-K584 WeakPolarHBondContact CB-O 3.43Å; E566-K584 HydrophobicContact CB-CD 3.93Å; E566-K584 HydrophobicContact CB-CG 4.32Å; E566-K584 PolarHBondContact O-N 3.23Å; F568-K584 HydrophobicContact CB-CG 4.48Å; F568-K584 HydrophobicContact CD2-CG 3.88Å | ||
| 585 | A | 96.9 | Very high | 95.5 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 7% | 0.066 | 20% | 0.204 | C | C | . | . | trans | -140.8 | 133.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112 | C583 H590 A591 T613 | C583-A585 PolarHBondContact O-N 2.7Å; A585-H590 HydrophobicContact CB-CB 3.95Å; A585-A591 HydrophobicContact CB-CB 3.74Å; A585-T613 PolarHBondContact N-OG1 3.37Å; A585-T613 PolarHBondContact O-N 3.19Å; A585-T613 PolarHBondContact O-OG1 2.94Å; A585-T613 VanDerWaalsContact O-OG1 3.12Å | ||
| 586 | S | 95.9 | Very high | 95.8 | Very high | 95 Ų | 95 | 33.2 Ų | 33.2 | 66% | 0.664 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -106.4 | -3.1 | 170.2 | 57.6 | 0 | 0 | 0 | 0 | 113 | ||
| 587 | K | 94.7 | Very high | 96 | Very high | 117 Ų | 117 | 30.6 Ų | 30.6 | 51% | 0.509 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -143.1 | 154.3 | -178.4 | -61.7 | 177.8 | -178.8 | 176.9 | 0 | 110.8 | E589 H590 A591 T611 | K587-E589 VanDerWaalsContact C-N 3.29Å; K587-E589 HydrophobicContact CB-CG 3.93Å; K587-E589 HydrophobicContact CD-CG 4.38Å; K587-E589 WeakPolarHBondContact CD-OE1 3.27Å; K587-E589 IonicContact NZ-OE1 4Å; K587-E589 PolarHBondContact NZ-OE1 3.22Å; K587-E589 PolarHBondContact O-N 3Å; K587-H590 PolarHBondContact O-N 2.79Å; K587-H590 VanDerWaalsContact O-N 3.15Å; K587-A591 PolarHBondContact O-N 2.96Å; K587-T611 CarbonylContact C-O 3.56Å; K587-T611 WeakPolarHBondContact CA-O 3.44Å |
| 588 | A | 94.1 | Very high | 96.1 | Very high | 55 Ų | 55 | 29 Ų | 29 | 46% | 0.455 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -60.3 | -34.6 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | H590 A591 T611 | A588-H590 PolarHBondContact O-N 2.93Å; A588-H590 VanDerWaalsContact O-N 3.12Å; A588-A591 PolarHBondContact O-N 3.25Å; A588-T611 HydrophobicContact CB-CG2 4.15Å; A588-T611 PolarHBondContact N-O 3.21Å |
| 589 | E | 92.3 | Very high | 95.9 | Very high | 127 Ų | 127 | 32.6 Ų | 32.6 | 59% | 0.593 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -59.7 | -21.5 | 178 | 59.1 | -176.1 | 172.9 | 0 | 0 | 114.1 | K587 | K587-E589 VanDerWaalsContact C-N 3.29Å; K587-E589 HydrophobicContact CB-CG 3.93Å; K587-E589 HydrophobicContact CD-CG 4.38Å; K587-E589 WeakPolarHBondContact CD-OE1 3.27Å; K587-E589 IonicContact NZ-OE1 4Å; K587-E589 PolarHBondContact NZ-OE1 3.22Å; K587-E589 PolarHBondContact O-N 3Å |
| 590 | H | 94.3 | Very high | 95.7 | Very high | 58 Ų | 58 | 36 Ų | 36 | 27% | 0.269 | 21% | 0.213 | S | C | . | . | G | 310 helix | trans | -112 | -7.6 | -179.8 | -54.5 | -43.3 | 0 | 0 | 0 | 113.3 | F565 C583 A585 K587 A588 A592 | F565-H590 HydrophobicContact CD2-CB 4.02Å; F565-H590 AromaticContact CD2-CD2 4Å; F565-H590 AromaticContact CD2-CG 3.79Å; F565-H590 HydrophobicContact CE2-CB 4.13Å; F565-H590 AromaticContact CE2-CD2 3.23Å; F565-H590 WeakPolarHBondContact CE2-CD2 3.11Å; F565-H590 AromaticContact CE2-CE1 3.65Å; F565-H590 AromaticContact CE2-CG 3.41Å; F565-H590 VanDerWaalsContact CE2-CG 3.41Å; F565-H590 AromaticContact CE2-ND1 3.66Å; F565-H590 AromaticContact CE2-NE2 3.39Å; F565-H590 WeakPolarHBondContact CE2-NE2 3.5Å; F565-H590 AromaticContact CZ-CD2 3.85Å; F565-H590 AromaticContact CZ-NE2 3.86Å; C583-H590 PolarHBondContact SG-O 2.93Å; C583-H590 VanDerWaalsContact SG-O 3.37Å; A585-H590 HydrophobicContact CB-CB 3.95Å; K587-H590 PolarHBondContact O-N 2.79Å; K587-H590 VanDerWaalsContact O-N 3.15Å; A588-H590 PolarHBondContact O-N 2.93Å; A588-H590 VanDerWaalsContact O-N 3.12Å; H590-A592 VanDerWaalsContact C-N 3.31Å; H590-A592 PolarHBondContact O-N 3.05Å |
| 591 | A | 96.1 | Very high | 95.5 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | trans | -88.6 | 5.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A585 K587 A588 H610 L612 | A585-A591 HydrophobicContact CB-CB 3.74Å; K587-A591 PolarHBondContact O-N 2.96Å; A588-A591 PolarHBondContact O-N 3.25Å; A591-H610 HydrophobicContact CB-CB 4.25Å; A591-H610 VanDerWaalsContact CB-O 3.29Å; A591-H610 WeakPolarHBondContact CB-O 3.33Å; A591-L612 WeakPolarHBondContact CB-O 3.37Å | ||
| 592 | A | 96.4 | Very high | 95.3 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 12% | 0.116 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 142.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | H590 T606 | H590-A592 VanDerWaalsContact C-N 3.31Å; H590-A592 PolarHBondContact O-N 3.05Å; A592-T606 HydrophobicContact CB-CG2 3.59Å |
| 593 | V | 97.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 132.6 | 173.2 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | A580 S581 L607 V614 L617 L626 A628 | A580-V593 HydrophobicContact CB-CG1 4.04Å; S581-V593 WeakPolarHBondContact O-CA 3.46Å; V593-L607 HydrophobicContact CB-CB 4.2Å; V593-L607 HydrophobicContact CB-CD1 4.49Å; V593-L607 PolarHBondContact N-O 3.29Å; V593-L607 PolarHBondContact O-N 2.77Å; V593-V614 HydrophobicContact CG2-CG1 4.48Å; V593-V614 HydrophobicContact CG2-CG2 4.1Å; V593-L617 HydrophobicContact CG1-CD1 3.98Å; V593-L617 HydrophobicContact CG1-CD2 3.98Å; V593-L617 HydrophobicContact CG2-CD2 3.84Å; V593-L626 HydrophobicContact CG1-CD2 4.44Å; V593-A628 HydrophobicContact CG2-CB 4.42Å |
| 594 | L | 97.4 | Very high | 95 | Very high | 12 Ų | 12 | 53.3 Ų | 53.3 | 6% | 0.063 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 132.1 | 175.8 | -58.9 | -174.8 | 0 | 0 | 0 | 110.1 | A580 S581 W596 T606 | A580-L594 CarbonylContact C-O 3.59Å; A580-L594 WeakPolarHBondContact CA-O 3.43Å; S581-L594 PolarHBondContact N-O 2.78Å; S581-L594 PolarHBondContact O-N 3.07Å; L594-W596 HydrophobicContact CB-CZ2 3.85Å; L594-W596 HydrophobicContact CD1-CH2 4.29Å; L594-W596 HydrophobicContact CD1-CZ2 3.67Å; L594-W596 HydrophobicContact CG-CZ2 4.42Å; L594-W596 PolarHBondContact O-NE1 2.92Å; L594-T606 HydrophobicContact CD2-CG2 3.83Å; L594-T606 WeakPolarHBondContact CD2-OG1 3.37Å |
| 595 | L | 97 | Very high | 94.8 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 135.5 | 173.6 | -66.1 | -174.7 | 0 | 0 | 0 | 110.8 | V579 A580 Q603 L604 Q605 L607 F619 L626 F652 | V579-L595 CarbonylContact O-C 3.58Å; V579-L595 WeakPolarHBondContact O-CA 3.39Å; A580-L595 HydrophobicContact CB-CD2 3.63Å; L595-Q603 CarbonylContact O-C 3.51Å; L595-Q603 WeakPolarHBondContact O-CA 3.22Å; L595-L604 PolarHBondContact O-N 3.27Å; L595-Q605 HydrophobicContact CB-CB 4.32Å; L595-Q605 HydrophobicContact CD1-CB 4.23Å; L595-Q605 PolarHBondContact N-O 3.48Å; L595-L607 HydrophobicContact CD1-CD1 4.05Å; L595-L607 HydrophobicContact CD1-CD2 4.45Å; L595-L607 HydrophobicContact CD1-CG 4.42Å; L595-L607 HydrophobicContact CD2-CD1 4.4Å; L595-L607 HydrophobicContact CG-CD1 4.1Å; L595-L607 HydrophobicContact CG-CG 4.4Å; L595-F619 HydrophobicContact CD2-CZ 4.28Å; L595-L626 HydrophobicContact CD2-CD2 3.85Å; L595-F652 HydrophobicContact CD1-CB 4.17Å; L595-F652 HydrophobicContact CD1-CD2 3.42Å; L595-F652 VanDerWaalsContact CD1-CD2 3.42Å; L595-F652 HydrophobicContact CD1-CE2 4.04Å; L595-F652 HydrophobicContact CD1-CG 3.96Å |
| 596 | W | 96.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 55.1 Ų | 55.1 | 2% | 0.023 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 140.5 | -177.2 | -47.5 | 83.3 | 0 | 0 | 0 | 110.2 | L560 Y561 L578 V579 S581 L594 R602 Q603 | L560-W596 HydrophobicContact CB-CD2 4.5Å; L560-W596 HydrophobicContact CB-CE3 4.03Å; L560-W596 HydrophobicContact CB-CH2 4.21Å; L560-W596 HydrophobicContact CB-CZ3 3.88Å; L560-W596 HydrophobicContact CD1-CD2 4.11Å; L560-W596 HydrophobicContact CD1-CE3 4.19Å; L560-W596 HydrophobicContact CD1-CG 4.24Å; L560-W596 HydrophobicContact CG-CE3 4.5Å; Y561-W596 WeakPolarHBondContact O-CH2 3.38Å; L578-W596 WeakPolarHBondContact CA-O 3.29Å; V579-W596 HydrophobicContact CB-CB 4.34Å; V579-W596 PolarHBondContact N-O 2.68Å; V579-W596 PolarHBondContact O-N 3.03Å; S581-W596 PolarHBondContact OG-NE1 2.84Å; L594-W596 HydrophobicContact CB-CZ2 3.85Å; L594-W596 HydrophobicContact CD1-CH2 4.29Å; L594-W596 HydrophobicContact CD1-CZ2 3.67Å; L594-W596 HydrophobicContact CG-CZ2 4.42Å; L594-W596 PolarHBondContact O-NE1 2.92Å; W596-R602 WeakPolarHBondContact CA-O 3.3Å; W596-Q603 HydrophobicContact CE3-CB 3.91Å; W596-Q603 HydrophobicContact CH2-CB 4.25Å; W596-Q603 HydrophobicContact CZ3-CB 3.74Å; W596-Q603 HydrophobicContact CZ3-CG 4.44Å |
| 597 | S | 94.3 | Very high | 94.8 | Very high | 5 Ų | 5 | 50.8 Ų | 50.8 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 132.7 | 169.7 | 178.7 | 0 | 0 | 0 | 0 | 110 | A599 T600 W601 R602 | S597-A599 VanDerWaalsContact C-N 3.31Å; S597-A599 PolarHBondContact OG-N 3.15Å; S597-T600 WeakPolarHBondContact CB-OG1 3.45Å; S597-T600 PolarHBondContact OG-N 2.93Å; S597-T600 PolarHBondContact OG-OG1 3.2Å; S597-W601 WeakPolarHBondContact O-CA 3.32Å; S597-W601 PolarHBondContact O-N 3.01Å; S597-R602 PolarHBondContact N-O 3.27Å |
| 598 | T | 93.3 | Very high | 94.8 | Very high | 23 Ų | 23 | 49.6 Ų | 49.6 | 14% | 0.141 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -18.1 | 173.6 | 57.4 | 0 | 0 | 0 | 0 | 112.6 | V443 K576 T577 V579 W601 | V443-T598 HydrophobicContact CB-CG2 4.08Å; V443-T598 HydrophobicContact CG1-CG2 3.84Å; K576-T598 WeakPolarHBondContact O-CG2 3.17Å; K576-T598 PolarHBondContact O-OG1 2.9Å; T577-T598 VanDerWaalsContact C-OG1 3.27Å; T577-T598 VanDerWaalsContact CA-OG1 3.27Å; T577-T598 WeakPolarHBondContact CA-OG1 3.43Å; T577-T598 PolarHBondContact O-N 3.19Å; T577-T598 PolarHBondContact O-OG1 2.89Å; V579-T598 HydrophobicContact CG2-CG2 3.82Å; T598-W601 HydrophobicContact CG2-CH2 4.01Å; T598-W601 HydrophobicContact CG2-CZ3 4.25Å; T598-W601 PolarHBondContact O-NE1 3.25Å |
| 599 | A | 91.8 | Very high | 94.9 | Very high | 88 Ų | 88 | 49.8 Ų | 49.8 | 73% | 0.727 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -42 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | S597 | S597-A599 VanDerWaalsContact C-N 3.31Å; S597-A599 PolarHBondContact OG-N 3.15Å |
| 600 | T | 92.3 | Very high | 95.1 | Very high | 73 Ų | 73 | 44 Ų | 44 | 45% | 0.448 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110 | -12.6 | -176.5 | 66.1 | 0 | 0 | 0 | 0 | 113.8 | S597 R602 | S597-T600 WeakPolarHBondContact CB-OG1 3.45Å; S597-T600 PolarHBondContact OG-N 2.93Å; S597-T600 PolarHBondContact OG-OG1 3.2Å; T600-R602 PolarHBondContact O-N 2.99Å; T600-R602 VanDerWaalsContact O-N 3.12Å; T600-R602 PolarHBondContact OG1-N 3.39Å |
| 601 | W | 94.8 | Very high | 95.2 | Very high | 37 Ų | 37 | 43.9 Ų | 43.9 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | trans | 56.9 | 20.7 | -173.7 | -65.1 | 114.6 | 0 | 0 | 0 | 114.7 | V443 V449 V459 Q558 L560 V579 S597 T598 | V443-W601 HydrophobicContact CG1-CH2 4.37Å; V443-W601 HydrophobicContact CG2-CH2 4.09Å; V449-W601 HydrophobicContact CG2-CH2 3.59Å; V449-W601 HydrophobicContact CG2-CZ3 3.72Å; V459-W601 HydrophobicContact CB-CH2 4.42Å; V459-W601 HydrophobicContact CB-CZ2 4.27Å; V459-W601 HydrophobicContact CG1-CH2 3.74Å; V459-W601 HydrophobicContact CG1-CZ2 3.42Å; V459-W601 VanDerWaalsContact CG1-CZ2 3.42Å; V459-W601 HydrophobicContact CG2-CD2 4Å; V459-W601 HydrophobicContact CG2-CE3 3.86Å; V459-W601 HydrophobicContact CG2-CH2 3.75Å; V459-W601 HydrophobicContact CG2-CZ2 3.91Å; V459-W601 HydrophobicContact CG2-CZ3 3.73Å; Q558-W601 HydrophobicContact CB-CG 4.28Å; Q558-W601 HydrophobicContact CG-CB 3.72Å; Q558-W601 HydrophobicContact CG-CD2 4.43Å; Q558-W601 HydrophobicContact CG-CG 3.75Å; L560-W601 HydrophobicContact CD1-CE3 3.83Å; L560-W601 HydrophobicContact CD1-CZ3 4.14Å; L560-W601 HydrophobicContact CD2-CB 3.64Å; L560-W601 HydrophobicContact CD2-CD2 4.19Å; L560-W601 HydrophobicContact CD2-CE3 3.8Å; L560-W601 HydrophobicContact CD2-CG 4.17Å; L560-W601 WeakPolarHBondContact CD2-O 3.41Å; L560-W601 HydrophobicContact CG-CE3 4.4Å; V579-W601 HydrophobicContact CG2-CZ3 4.43Å; S597-W601 WeakPolarHBondContact O-CA 3.32Å; S597-W601 PolarHBondContact O-N 3.01Å; T598-W601 HydrophobicContact CG2-CH2 4.01Å; T598-W601 HydrophobicContact CG2-CZ3 4.25Å; T598-W601 PolarHBondContact O-NE1 3.25Å | ||
| 602 | R | 93.9 | Very high | 95.3 | Very high | 186 Ų | 186 | 46.5 Ų | 46.5 | 70% | 0.702 | 25% | 0.25 | S | S | * | . | trans | -90 | 148.2 | 174.7 | -64.7 | -177.7 | 178.6 | -176.2 | -0.7 | 110.9 | W596 S597 T600 L604 | W596-R602 WeakPolarHBondContact CA-O 3.3Å; S597-R602 PolarHBondContact N-O 3.27Å; T600-R602 PolarHBondContact O-N 2.99Å; T600-R602 VanDerWaalsContact O-N 3.12Å; T600-R602 PolarHBondContact OG1-N 3.39Å; R602-L604 PolarHBondContact O-N 3.02Å | ||
| 603 | Q | 94.9 | Very high | 95.4 | Very high | 84 Ų | 84 | 46 Ų | 46 | 39% | 0.393 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 124.4 | 169.6 | -173.7 | -175.9 | -56.5 | 0 | 0 | 109.3 | L595 W596 T606 | L595-Q603 CarbonylContact O-C 3.51Å; L595-Q603 WeakPolarHBondContact O-CA 3.22Å; W596-Q603 HydrophobicContact CE3-CB 3.91Å; W596-Q603 HydrophobicContact CH2-CB 4.25Å; W596-Q603 HydrophobicContact CZ3-CB 3.74Å; W596-Q603 HydrophobicContact CZ3-CG 4.44Å; Q603-T606 PolarHBondContact NE2-OG1 2.92Å; Q603-T606 VanDerWaalsContact NE2-OG1 3.15Å |
| 604 | L | 93.1 | Very high | 95.4 | Very high | 58 Ų | 58 | 45.9 Ų | 45.9 | 30% | 0.304 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -44.1 | -178.2 | -56.1 | -168.3 | 0 | 0 | 0 | 112.3 | L578 L595 R602 E649 | L578-L604 HydrophobicContact CD2-CD1 3.45Å; L578-L604 VanDerWaalsContact CD2-CD1 3.45Å; L595-L604 PolarHBondContact O-N 3.27Å; R602-L604 PolarHBondContact O-N 3.02Å; L604-E649 HydrophobicContact CD1-CB 4.35Å; L604-E649 WeakPolarHBondContact CD2-OE2 3.24Å |
| 605 | Q | 94 | Very high | 95.4 | Very high | 50 Ų | 50 | 45.7 Ų | 45.7 | 23% | 0.234 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 149.2 | -172.3 | -163.1 | 179.7 | -4.5 | 0 | 0 | 111.6 | L595 L607 F652 | L595-Q605 HydrophobicContact CB-CB 4.32Å; L595-Q605 HydrophobicContact CD1-CB 4.23Å; L595-Q605 PolarHBondContact N-O 3.48Å; Q605-L607 VanDerWaalsContact CD-CD2 3.42Å; Q605-L607 HydrophobicContact CG-CD2 3.83Å; Q605-F652 PolarHBondContact NE2-O 2.97Å; Q605-F652 PolarHBondContact OE1-O 3.03Å |
| 606 | T | 95.6 | Very high | 95.5 | Very high | 62 Ų | 62 | 46 Ų | 46 | 38% | 0.38 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 131.2 | 167.6 | -57.4 | 0 | 0 | 0 | 0 | 108.9 | A592 L594 Q603 P608 | A592-T606 HydrophobicContact CB-CG2 3.59Å; L594-T606 HydrophobicContact CD2-CG2 3.83Å; L594-T606 WeakPolarHBondContact CD2-OG1 3.37Å; Q603-T606 PolarHBondContact NE2-OG1 2.92Å; Q603-T606 VanDerWaalsContact NE2-OG1 3.15Å; T606-P608 VanDerWaalsContact O-CD 3.25Å; T606-P608 WeakPolarHBondContact O-CD 3.48Å |
| 607 | L | 96.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 90.1 | -178.3 | -51.7 | -178.9 | 0 | 0 | 0 | 109.9 | V593 L595 Q605 L626 W638 F652 | V593-L607 HydrophobicContact CB-CB 4.2Å; V593-L607 HydrophobicContact CB-CD1 4.49Å; V593-L607 PolarHBondContact N-O 3.29Å; V593-L607 PolarHBondContact O-N 2.77Å; L595-L607 HydrophobicContact CD1-CD1 4.05Å; L595-L607 HydrophobicContact CD1-CD2 4.45Å; L595-L607 HydrophobicContact CD1-CG 4.42Å; L595-L607 HydrophobicContact CD2-CD1 4.4Å; L595-L607 HydrophobicContact CG-CD1 4.1Å; L595-L607 HydrophobicContact CG-CG 4.4Å; Q605-L607 VanDerWaalsContact CD-CD2 3.42Å; Q605-L607 HydrophobicContact CG-CD2 3.83Å; L607-L626 HydrophobicContact CD1-CD2 3.85Å; L607-W638 HydrophobicContact CB-CD2 4.18Å; L607-W638 HydrophobicContact CB-CE3 4.13Å; L607-W638 HydrophobicContact CB-CH2 3.75Å; L607-W638 HydrophobicContact CB-CZ2 3.76Å; L607-W638 HydrophobicContact CB-CZ3 3.93Å; L607-W638 HydrophobicContact CD1-CD2 3.96Å; L607-W638 HydrophobicContact CD1-CE3 4.18Å; L607-W638 HydrophobicContact CD1-CG 4.1Å; L607-W638 HydrophobicContact CD2-CD2 4.37Å; L607-W638 HydrophobicContact CD2-CE3 3.75Å; L607-W638 HydrophobicContact CD2-CZ3 3.84Å; L607-W638 HydrophobicContact CG-CD2 4.4Å; L607-W638 HydrophobicContact CG-CE3 4.24Å; L607-W638 HydrophobicContact CG-CZ3 4.38Å; L607-F652 HydrophobicContact CD1-CB 4.37Å; L607-F652 HydrophobicContact CD2-CB 4.06Å |
| 608 | P | 95.3 | Very high | 95.8 | Very high | 92 Ų | 92 | 45.7 Ų | 45.7 | 60% | 0.597 | 24% | 0.244 | S | C | * | . | trans | -84.4 | 122.9 | -178.7 | 32.4 | -33.3 | 0 | 0 | 0 | 111.2 | T606 | T606-P608 VanDerWaalsContact O-CD 3.25Å; T606-P608 WeakPolarHBondContact O-CD 3.48Å | ||
| 609 | Y | 95.6 | Very high | 96 | Very high | 60 Ų | 60 | 45.5 Ų | 45.5 | 24% | 0.235 | 24% | 0.242 | C | C | . | . | trans | -155.4 | -55.8 | 170.5 | 177.9 | -96.4 | 0 | 0 | 0 | 112.2 | L654 H657 T658 | Y609-L654 HydrophobicContact CD2-CD2 3.71Å; Y609-L654 HydrophobicContact CE2-CD2 4.1Å; Y609-H657 HydrophobicContact CE1-CB 4.16Å; Y609-H657 HydrophobicContact CE2-CB 3.9Å; Y609-H657 AromaticContact CE2-CD2 3.72Å; Y609-H657 AromaticContact CE2-CG 3.68Å; Y609-H657 AromaticContact CZ-CD2 3.68Å; Y609-H657 AromaticContact CZ-CG 3.72Å; Y609-H657 WeakPolarHBondContact OH-CB 3.4Å; Y609-H657 PolarHBondContact OH-CD2 2.88Å; Y609-T658 PolarHBondContact OH-O 2.87Å | ||
| 610 | H | 96.8 | Very high | 96.2 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 2% | 0.023 | 21% | 0.207 | C | C | . | . | trans | -67.6 | 156.3 | -174.3 | -70.2 | -65.3 | 0 | 0 | 0 | 112.9 | A591 V614 S630 D632 T634 S636 | A591-H610 HydrophobicContact CB-CB 4.25Å; A591-H610 VanDerWaalsContact CB-O 3.29Å; A591-H610 WeakPolarHBondContact CB-O 3.33Å; H610-V614 HydrophobicContact CB-CG2 4.08Å; H610-S630 VanDerWaalsContact ND1-CB 3.26Å; H610-S630 WeakPolarHBondContact ND1-CB 3.47Å; H610-D632 WeakPolarHBondContact CA-OD2 3.44Å; H610-D632 WeakPolarHBondContact CB-OD2 3.47Å; H610-D632 IonicContact CG-OD2 2.8Å; H610-D632 IonicContact ND1-OD1 2.77Å; H610-D632 PolarHBondContact ND1-OD1 2.56Å; H610-D632 IonicContact ND1-OD2 2.63Å; H610-D632 PolarHBondContact ND1-OD2 3.49Å; H610-D632 VanDerWaalsContact ND1-OD2 3.16Å; H610-T634 PolarHBondContact CE1-O 3.33Å; H610-T634 PolarHBondContact CE1-OG1 3.07Å; H610-T634 PolarHBondContact ND1-OG1 3.07Å; H610-S636 PolarHBondContact NE2-OG 3.36Å | ||
| 611 | T | 96.3 | Very high | 96.4 | Very high | 55 Ų | 55 | 40.5 Ų | 40.5 | 34% | 0.337 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -106.8 | -18.1 | -178.8 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | K587 A588 D632 | K587-T611 CarbonylContact C-O 3.56Å; K587-T611 WeakPolarHBondContact CA-O 3.44Å; A588-T611 HydrophobicContact CB-CG2 4.15Å; A588-T611 PolarHBondContact N-O 3.21Å; T611-D632 PolarHBondContact N-OD2 2.85Å; T611-D632 WeakPolarHBondContact OG1-CB 3.46Å; T611-D632 PolarHBondContact OG1-OD2 2.77Å |
| 612 | L | 97.2 | Very high | 96.2 | Very high | 59 Ų | 59 | 41.3 Ų | 41.3 | 31% | 0.309 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -132.2 | 172.3 | 177.9 | -61.4 | 178.7 | 0 | 0 | 0 | 109.8 | A591 V614 S630 R631 D632 | A591-L612 WeakPolarHBondContact CB-O 3.37Å; L612-V614 PolarHBondContact O-N 3.27Å; L612-S630 PolarHBondContact O-OG 3.29Å; L612-R631 HydrophobicContact CB-CB 3.99Å; L612-R631 HydrophobicContact CD1-CB 4.36Å; L612-D632 HydrophobicContact CB-CB 4.18Å; L612-D632 HydrophobicContact CD1-CB 4.25Å; L612-D632 HydrophobicContact CG-CB 4.22Å |
| 613 | T | 98.3 | Very high | 96.1 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | trans | -41.6 | 121.6 | 179 | -49.7 | 0 | 0 | 0 | 0 | 112.9 | F568 A585 T615 S630 R631 | F568-T613 HydrophobicContact CB-CG2 3.95Å; F568-T613 HydrophobicContact CD1-CG2 3.81Å; F568-T613 HydrophobicContact CD2-CG2 3.68Å; F568-T613 HydrophobicContact CE1-CG2 4.28Å; F568-T613 HydrophobicContact CE2-CG2 4.12Å; F568-T613 HydrophobicContact CG-CG2 3.49Å; F568-T613 VanDerWaalsContact CG-CG2 3.49Å; F568-T613 HydrophobicContact CZ-CG2 4.4Å; A585-T613 PolarHBondContact N-OG1 3.37Å; A585-T613 PolarHBondContact O-N 3.19Å; A585-T613 PolarHBondContact O-OG1 2.94Å; A585-T613 VanDerWaalsContact O-OG1 3.12Å; T613-T615 PolarHBondContact O-N 3.12Å; T613-S630 PolarHBondContact O-OG 3.23Å; T613-S630 VanDerWaalsContact O-OG 3.07Å; T613-R631 PolarHBondContact O-N 3.29Å | ||
| 614 | V | 98.6 | Very high | 96 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 121.7 | 165.1 | 178.4 | 0 | 0 | 0 | 0 | 107.7 | F568 A582 V593 H610 L612 L617 A628 V629 | F568-V614 VanDerWaalsContact CD1-O 3.24Å; F568-V614 WeakPolarHBondContact CD1-O 3.47Å; A582-V614 HydrophobicContact CB-CB 3.74Å; A582-V614 HydrophobicContact CB-CG1 4.24Å; A582-V614 HydrophobicContact CB-CG2 4.33Å; V593-V614 HydrophobicContact CG2-CG1 4.48Å; V593-V614 HydrophobicContact CG2-CG2 4.1Å; H610-V614 HydrophobicContact CB-CG2 4.08Å; L612-V614 PolarHBondContact O-N 3.27Å; V614-L617 HydrophobicContact CG1-CD2 3.88Å; V614-L617 HydrophobicContact CG1-CG 4.06Å; V614-A628 HydrophobicContact CG1-CB 4.08Å; V614-V629 CarbonylContact C-O 3.59Å; V614-V629 WeakPolarHBondContact CA-O 3.4Å; V614-V629 VanDerWaalsContact CG1-O 3.32Å; V614-V629 WeakPolarHBondContact CG1-O 3.39Å |
| 615 | T | 98.4 | Very high | 96.1 | Very high | 8 Ų | 8 | 31.4 Ų | 31.4 | 5% | 0.049 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | -34.6 | -172.5 | 44.7 | 0 | 0 | 0 | 0 | 112.7 | F568 T613 V629 R631 I668 I669 W670 | F568-T615 HydrophobicContact CE1-CG2 4.2Å; F568-T615 WeakPolarHBondContact CE1-O 3.24Å; T613-T615 PolarHBondContact O-N 3.12Å; T615-V629 PolarHBondContact N-O 3Å; T615-V629 PolarHBondContact OG1-O 3.45Å; T615-V629 VanDerWaalsContact OG1-O 3.09Å; T615-R631 HydrophobicContact CG2-CG 3.59Å; T615-I668 HydrophobicContact CG2-CG2 4.2Å; T615-I669 WeakPolarHBondContact CB-O 3.38Å; T615-I669 PolarHBondContact OG1-O 2.93Å; T615-W670 HydrophobicContact CG2-CE3 4.04Å; T615-W670 HydrophobicContact CG2-CZ3 4.22Å |
| 616 | Q | 98.6 | Very high | 96.2 | Very high | 7 Ų | 7 | 29 Ų | 29 | 3% | 0.033 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 148.3 | 176.6 | -175.9 | 158.5 | -38.9 | 0 | 0 | 111.3 | V629 S671 C672 | Q616-V629 HydrophobicContact CB-CG2 3.79Å; Q616-V629 PolarHBondContact O-N 2.98Å; Q616-V629 VanDerWaalsContact O-N 3.08Å; Q616-S671 PolarHBondContact NE2-OG 2.82Å; Q616-S671 VanDerWaalsContact NE2-OG 3.08Å; Q616-S671 PolarHBondContact OE1-OG 3.34Å; Q616-C672 PolarHBondContact NE2-O 2.85Å |
| 617 | L | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 143.6 | 174.1 | -67.2 | 166.1 | 0 | 0 | 0 | 109 | A571 A580 A582 V593 V614 L626 L627 A628 | A571-L617 HydrophobicContact CB-CB 3.72Å; A580-L617 HydrophobicContact CB-CD1 3.96Å; A582-L617 HydrophobicContact CB-CD1 4.36Å; V593-L617 HydrophobicContact CG1-CD1 3.98Å; V593-L617 HydrophobicContact CG1-CD2 3.98Å; V593-L617 HydrophobicContact CG2-CD2 3.84Å; V614-L617 HydrophobicContact CG1-CD2 3.88Å; V614-L617 HydrophobicContact CG1-CG 4.06Å; L617-L626 HydrophobicContact CB-CD1 4.45Å; L617-L626 HydrophobicContact CD2-CD1 4.38Å; L617-L627 WeakPolarHBondContact CA-O 3.38Å; L617-A628 HydrophobicContact CD2-CB 3.55Å |
| 618 | A | 98.2 | Very high | 96.4 | Very high | 5 Ų | 5 | 26 Ų | 26 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 124.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L627 W674 | A618-L627 PolarHBondContact N-O 2.9Å; A618-L627 PolarHBondContact O-N 3.35Å; A618-W674 PolarHBondContact O-NE1 3.38Å |
| 619 | F | 97.6 | Very high | 96.6 | Very high | 19 Ų | 19 | 21.6 Ų | 21.6 | 8% | 0.083 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 145.7 | 167.9 | -73.1 | -84.7 | 0 | 0 | 0 | 110.1 | A571 S572 D573 L578 A580 L595 F625 L626 F652 W674 | A571-F619 HydrophobicContact CB-CD2 4.04Å; A571-F619 HydrophobicContact CB-CE2 4.21Å; S572-F619 VanDerWaalsContact C-CD2 3.45Å; D573-F619 HydrophobicContact CB-CB 4.36Å; D573-F619 HydrophobicContact CB-CD1 4.03Å; D573-F619 HydrophobicContact CB-CD2 4.17Å; D573-F619 HydrophobicContact CB-CE1 4.34Å; D573-F619 HydrophobicContact CB-CE2 4.47Å; D573-F619 HydrophobicContact CB-CG 3.93Å; L578-F619 HydrophobicContact CB-CZ 4.41Å; A580-F619 HydrophobicContact CB-CE2 3.77Å; A580-F619 HydrophobicContact CB-CZ 3.84Å; L595-F619 HydrophobicContact CD2-CZ 4.28Å; F619-F625 CarbonylContact C-O 3.58Å; F619-F625 VanDerWaalsContact CA-O 3.31Å; F619-F625 WeakPolarHBondContact CA-O 3.41Å; F619-L626 HydrophobicContact CD1-CB 4.02Å; F619-L626 HydrophobicContact CD1-CD1 4.03Å; F619-L626 HydrophobicContact CD2-CD1 4.03Å; F619-L626 HydrophobicContact CE1-CB 3.93Å; F619-L626 HydrophobicContact CE1-CD1 3.95Å; F619-L626 HydrophobicContact CE1-CD2 4.24Å; F619-L626 HydrophobicContact CE1-CG 4.27Å; F619-L626 HydrophobicContact CE2-CD1 3.95Å; F619-L626 HydrophobicContact CG-CD1 4.08Å; F619-L626 HydrophobicContact CZ-CD1 3.92Å; F619-L626 HydrophobicContact CZ-CD2 4.21Å; F619-L626 HydrophobicContact CZ-CG 4.49Å; F619-F652 HydrophobicContact CD1-CZ 4.41Å; F619-F652 HydrophobicContact CE1-CE1 4.24Å; F619-F652 AromaticContact CE1-CZ 3.83Å; F619-F652 HydrophobicContact CE1-CZ 3.83Å; F619-W674 VanDerWaalsContact O-CD1 3.22Å |
| 620 | S | 96.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.007 | 10% | 0.101 | C | C | . | . | trans | -63.9 | 148.9 | 168.5 | 60.4 | 0 | 0 | 0 | 0 | 110.3 | D622 A623 K624 F625 | S620-D622 WeakPolarHBondContact CB-OD1 3.33Å; S620-D622 PolarHBondContact O-N 2.63Å; S620-D622 VanDerWaalsContact O-N 3.14Å; S620-D622 PolarHBondContact OG-OD1 2.93Å; S620-A623 WeakPolarHBondContact O-CA 3.38Å; S620-A623 PolarHBondContact O-N 3.24Å; S620-K624 PolarHBondContact OG-N 3Å; S620-F625 PolarHBondContact N-O 3.49Å; S620-F625 PolarHBondContact OG-N 3.25Å | ||
| 621 | P | 94.8 | Very high | 96.7 | Very high | 55 Ų | 55 | 24 Ų | 24 | 36% | 0.357 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -32.7 | 177 | -29.6 | 33.5 | 0 | 0 | 0 | 114.2 | S574 A623 W674 S675 S678 | S574-P621 VanDerWaalsContact CB-O 3.23Å; S574-P621 WeakPolarHBondContact CB-O 3.28Å; S574-P621 PolarHBondContact OG-O 3.25Å; P621-A623 VanDerWaalsContact C-N 3.27Å; P621-A623 PolarHBondContact O-N 2.97Å; P621-W674 HydrophobicContact CG-CB 4.36Å; P621-S675 WeakPolarHBondContact CG-O 3.49Å; P621-S678 WeakPolarHBondContact CB-OG 3.47Å; P621-S678 VanDerWaalsContact CD-OG 3.25Å; P621-S678 WeakPolarHBondContact CD-OG 3.38Å |
| 622 | D | 92.2 | Very high | 96.7 | Very high | 55 Ų | 55 | 22 Ų | 22 | 29% | 0.294 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 3.5 | 175.2 | 78.2 | -13.5 | 0 | 0 | 0 | 115 | S620 K624 S678 | S620-D622 WeakPolarHBondContact CB-OD1 3.33Å; S620-D622 PolarHBondContact O-N 2.63Å; S620-D622 VanDerWaalsContact O-N 3.14Å; S620-D622 PolarHBondContact OG-OD1 2.93Å; D622-K624 PolarHBondContact O-N 2.8Å; D622-K624 VanDerWaalsContact O-N 3.08Å; D622-K624 WeakPolarHBondContact OD1-CB 3.26Å; D622-K624 PolarHBondContact OD1-N 3.18Å; D622-K624 VanDerWaalsContact OD1-N 3.11Å; D622-K624 WeakPolarHBondContact OD2-CD 3.48Å; D622-K624 VanDerWaalsContact OD2-CE 3.28Å; D622-K624 WeakPolarHBondContact OD2-CE 3.44Å; D622-K624 WeakPolarHBondContact OD2-CG 3.44Å; D622-K624 IonicContact OD2-NZ 3.41Å; D622-K624 PolarHBondContact OD2-NZ 3.18Å; D622-S678 PolarHBondContact N-OG 2.82Å; D622-S678 VanDerWaalsContact N-OG 3.1Å |
| 623 | A | 91.6 | Very high | 96.7 | Very high | 8 Ų | 8 | 24.4 Ų | 24.4 | 7% | 0.066 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 57 | 16.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | D573 S620 P621 R640 | D573-A623 HydrophobicContact CB-CB 4.17Å; S620-A623 WeakPolarHBondContact O-CA 3.38Å; S620-A623 PolarHBondContact O-N 3.24Å; P621-A623 VanDerWaalsContact C-N 3.27Å; P621-A623 PolarHBondContact O-N 2.97Å; A623-R640 WeakPolarHBondContact O-CD 3.44Å |
| 624 | K | 91.9 | Very high | 96.6 | Very high | 108 Ų | 108 | 24.5 Ų | 24.5 | 47% | 0.47 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -85.3 | -21.3 | 177.8 | -64.2 | -173.4 | -160.6 | 128.4 | 0 | 113.4 | S620 D622 R639 R640 | S620-K624 PolarHBondContact OG-N 3Å; D622-K624 PolarHBondContact O-N 2.8Å; D622-K624 VanDerWaalsContact O-N 3.08Å; D622-K624 WeakPolarHBondContact OD1-CB 3.26Å; D622-K624 PolarHBondContact OD1-N 3.18Å; D622-K624 VanDerWaalsContact OD1-N 3.11Å; D622-K624 WeakPolarHBondContact OD2-CD 3.48Å; D622-K624 VanDerWaalsContact OD2-CE 3.28Å; D622-K624 WeakPolarHBondContact OD2-CE 3.44Å; D622-K624 WeakPolarHBondContact OD2-CG 3.44Å; D622-K624 IonicContact OD2-NZ 3.41Å; D622-K624 PolarHBondContact OD2-NZ 3.18Å; K624-R639 WeakPolarHBondContact O-CA 3.15Å; K624-R640 WeakPolarHBondContact O-CB 3.2Å; K624-R640 PolarHBondContact O-N 2.77Å |
| 625 | F | 94.9 | Very high | 96.5 | Very high | 3 Ų | 3 | 24.7 Ų | 24.7 | 1% | 0.013 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 149.6 | -177.1 | -59.3 | -79.4 | 0 | 0 | 0 | 112.5 | F619 S620 L637 W638 R639 W674 V697 F706 | F619-F625 CarbonylContact C-O 3.58Å; F619-F625 VanDerWaalsContact CA-O 3.31Å; F619-F625 WeakPolarHBondContact CA-O 3.41Å; S620-F625 PolarHBondContact N-O 3.49Å; S620-F625 PolarHBondContact OG-N 3.25Å; F625-L637 HydrophobicContact CB-CD1 3.99Å; F625-L637 HydrophobicContact CD1-CD1 4.44Å; F625-L637 HydrophobicContact CD1-CD2 4.33Å; F625-L637 HydrophobicContact CD1-CG 4.28Å; F625-W638 CarbonylContact C-O 3.49Å; F625-W638 WeakPolarHBondContact CA-O 3.39Å; F625-R639 HydrophobicContact CD1-CB 3.97Å; F625-R639 HydrophobicContact CD1-CG 4.16Å; F625-R639 HydrophobicContact CE1-CB 3.78Å; F625-R639 HydrophobicContact CE1-CG 3.63Å; F625-R639 HydrophobicContact CZ-CG 4.3Å; F625-W674 HydrophobicContact CB-CH2 3.72Å; F625-W674 HydrophobicContact CB-CZ2 3.69Å; F625-W674 HydrophobicContact CD2-CH2 4.36Å; F625-W674 HydrophobicContact CG-CH2 4.15Å; F625-V697 HydrophobicContact CE2-CG2 4.01Å; F625-V697 HydrophobicContact CZ-CG2 4.38Å; F625-F706 HydrophobicContact CD1-CE2 4.41Å; F625-F706 HydrophobicContact CE1-CD2 4.22Å; F625-F706 AromaticContact CE1-CE2 3.32Å; F625-F706 HydrophobicContact CE1-CE2 3.32Å; F625-F706 AromaticContact CE1-CZ 3.93Å; F625-F706 HydrophobicContact CE1-CZ 3.93Å; F625-F706 HydrophobicContact CZ-CD2 4.31Å; F625-F706 AromaticContact CZ-CE2 3.56Å; F625-F706 HydrophobicContact CZ-CE2 3.56Å; F625-F706 HydrophobicContact CZ-CZ 4.48Å |
| 626 | L | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 120.7 | 167.8 | 173.6 | 62.9 | 0 | 0 | 0 | 108.8 | A580 V593 L595 L607 L617 F619 W638 F652 | A580-L626 HydrophobicContact CB-CD1 4.18Å; A580-L626 HydrophobicContact CB-CD2 3.93Å; V593-L626 HydrophobicContact CG1-CD2 4.44Å; L595-L626 HydrophobicContact CD2-CD2 3.85Å; L607-L626 HydrophobicContact CD1-CD2 3.85Å; L617-L626 HydrophobicContact CB-CD1 4.45Å; L617-L626 HydrophobicContact CD2-CD1 4.38Å; F619-L626 HydrophobicContact CD1-CB 4.02Å; F619-L626 HydrophobicContact CD1-CD1 4.03Å; F619-L626 HydrophobicContact CD2-CD1 4.03Å; F619-L626 HydrophobicContact CE1-CB 3.93Å; F619-L626 HydrophobicContact CE1-CD1 3.95Å; F619-L626 HydrophobicContact CE1-CD2 4.24Å; F619-L626 HydrophobicContact CE1-CG 4.27Å; F619-L626 HydrophobicContact CE2-CD1 3.95Å; F619-L626 HydrophobicContact CG-CD1 4.08Å; F619-L626 HydrophobicContact CZ-CD1 3.92Å; F619-L626 HydrophobicContact CZ-CD2 4.21Å; F619-L626 HydrophobicContact CZ-CG 4.49Å; L626-W638 HydrophobicContact CB-CB 4.32Å; L626-W638 PolarHBondContact N-O 3.09Å; L626-W638 PolarHBondContact O-N 3.09Å; L626-F652 HydrophobicContact CB-CD1 4.11Å; L626-F652 HydrophobicContact CB-CE1 3.9Å |
| 627 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 135.2 | 173.9 | 179.4 | 63.9 | 0 | 0 | 0 | 109.7 | L617 A618 V629 W635 L637 C672 W674 F681 | L617-L627 WeakPolarHBondContact CA-O 3.38Å; A618-L627 PolarHBondContact N-O 2.9Å; A618-L627 PolarHBondContact O-N 3.35Å; L627-V629 HydrophobicContact CG-CG1 4.49Å; L627-W635 HydrophobicContact CD1-CB 4.32Å; L627-W635 HydrophobicContact CD1-CE3 4.24Å; L627-L637 HydrophobicContact CB-CD1 4.27Å; L627-L637 HydrophobicContact CD1-CD1 4.36Å; L627-C672 HydrophobicContact CD2-CB 3.59Å; L627-C672 HydrophobicContact CG-CB 4.32Å; L627-W674 HydrophobicContact CB-CZ2 3.94Å; L627-F681 HydrophobicContact CD1-CD2 4.02Å; L627-F681 HydrophobicContact CD1-CE2 3.91Å; L627-F681 HydrophobicContact CD1-CG 4.46Å; L627-F681 HydrophobicContact CD1-CZ 4.28Å; L627-F681 HydrophobicContact CD2-CB 3.78Å; L627-F681 HydrophobicContact CD2-CD2 3.48Å; L627-F681 VanDerWaalsContact CD2-CD2 3.48Å; L627-F681 HydrophobicContact CD2-CE2 4.21Å; L627-F681 HydrophobicContact CD2-CG 3.74Å; L627-F681 HydrophobicContact CG-CD2 4.43Å |
| 628 | A | 98.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 135.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | V593 V614 L617 W635 S636 | V593-A628 HydrophobicContact CG2-CB 4.42Å; V614-A628 HydrophobicContact CG1-CB 4.08Å; L617-A628 HydrophobicContact CD2-CB 3.55Å; A628-W635 CarbonylContact O-C 3.51Å; A628-W635 WeakPolarHBondContact O-CA 3.32Å; A628-S636 PolarHBondContact N-O 3.43Å; A628-S636 PolarHBondContact O-N 2.81Å |
| 629 | V | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 148.7 | 175.4 | -62.8 | 0 | 0 | 0 | 0 | 110.4 | V614 T615 Q616 L627 W635 I669 C672 T683 | V614-V629 CarbonylContact C-O 3.59Å; V614-V629 WeakPolarHBondContact CA-O 3.4Å; V614-V629 VanDerWaalsContact CG1-O 3.32Å; V614-V629 WeakPolarHBondContact CG1-O 3.39Å; T615-V629 PolarHBondContact N-O 3Å; T615-V629 PolarHBondContact OG1-O 3.45Å; T615-V629 VanDerWaalsContact OG1-O 3.09Å; Q616-V629 HydrophobicContact CB-CG2 3.79Å; Q616-V629 PolarHBondContact O-N 2.98Å; Q616-V629 VanDerWaalsContact O-N 3.08Å; L627-V629 HydrophobicContact CG-CG1 4.49Å; V629-W635 HydrophobicContact CG1-CB 3.77Å; V629-I669 HydrophobicContact CB-CB 4.07Å; V629-I669 HydrophobicContact CB-CG2 3.63Å; V629-I669 HydrophobicContact CG1-CG2 3.84Å; V629-I669 HydrophobicContact CG2-CG2 4.05Å; V629-C672 HydrophobicContact CG1-CB 3.58Å; V629-C672 HydrophobicContact CG2-CB 4.04Å; V629-T683 HydrophobicContact CG1-CG2 4.07Å |
| 630 | S | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 159.7 | -169.2 | 175.7 | 0 | 0 | 0 | 0 | 115 | H610 L612 T613 D632 R633 T634 I669 | H610-S630 VanDerWaalsContact ND1-CB 3.26Å; H610-S630 WeakPolarHBondContact ND1-CB 3.47Å; L612-S630 PolarHBondContact O-OG 3.29Å; T613-S630 PolarHBondContact O-OG 3.23Å; T613-S630 VanDerWaalsContact O-OG 3.07Å; S630-D632 VanDerWaalsContact CB-OD1 3.29Å; S630-D632 WeakPolarHBondContact CB-OD1 3.39Å; S630-D632 PolarHBondContact O-N 2.62Å; S630-D632 VanDerWaalsContact OG-CG 3.27Å; S630-D632 PolarHBondContact OG-N 3.44Å; S630-D632 VanDerWaalsContact OG-N 3.15Å; S630-D632 PolarHBondContact OG-OD1 3.32Å; S630-D632 PolarHBondContact OG-OD2 3.09Å; S630-R633 PolarHBondContact O-N 3.32Å; S630-R633 VanDerWaalsContact O-N 3.11Å; S630-T634 PolarHBondContact N-O 2.56Å; S630-T634 VanDerWaalsContact N-O 3.09Å; S630-I669 PolarHBondContact O-N 3.11Å |
| 631 | R | 97.7 | Very high | 95 | Very high | 116 Ų | 116 | 35.7 Ų | 35.7 | 44% | 0.438 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -20.7 | 167 | -68.5 | -175.4 | 66.7 | -171.5 | -0.8 | 113.7 | L612 T613 T615 R633 I668 | L612-R631 HydrophobicContact CB-CB 3.99Å; L612-R631 HydrophobicContact CD1-CB 4.36Å; T613-R631 PolarHBondContact O-N 3.29Å; T615-R631 HydrophobicContact CG2-CG 3.59Å; R631-R633 PolarHBondContact O-N 2.83Å; R631-I668 HydrophobicContact CB-CG1 4.3Å; R631-I668 HydrophobicContact CB-CG2 4.44Å; R631-I668 HydrophobicContact CG-CD1 4.42Å; R631-I668 HydrophobicContact CG-CG1 4.43Å; R631-I668 HydrophobicContact CG-CG2 4.03Å |
| 632 | D | 95.9 | Very high | 94.1 | Very high | 12 Ų | 12 | 40.4 Ų | 40.4 | 6% | 0.064 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 0.6 | 174.6 | 67.1 | 20.2 | 0 | 0 | 0 | 114 | H610 T611 L612 S630 T634 | H610-D632 WeakPolarHBondContact CA-OD2 3.44Å; H610-D632 WeakPolarHBondContact CB-OD2 3.47Å; H610-D632 IonicContact CG-OD2 2.8Å; H610-D632 IonicContact ND1-OD1 2.77Å; H610-D632 PolarHBondContact ND1-OD1 2.56Å; H610-D632 IonicContact ND1-OD2 2.63Å; H610-D632 PolarHBondContact ND1-OD2 3.49Å; H610-D632 VanDerWaalsContact ND1-OD2 3.16Å; T611-D632 PolarHBondContact N-OD2 2.85Å; T611-D632 WeakPolarHBondContact OG1-CB 3.46Å; T611-D632 PolarHBondContact OG1-OD2 2.77Å; L612-D632 HydrophobicContact CB-CB 4.18Å; L612-D632 HydrophobicContact CD1-CB 4.25Å; L612-D632 HydrophobicContact CG-CB 4.22Å; S630-D632 VanDerWaalsContact CB-OD1 3.29Å; S630-D632 WeakPolarHBondContact CB-OD1 3.39Å; S630-D632 PolarHBondContact O-N 2.62Å; S630-D632 VanDerWaalsContact OG-CG 3.27Å; S630-D632 PolarHBondContact OG-N 3.44Å; S630-D632 VanDerWaalsContact OG-N 3.15Å; S630-D632 PolarHBondContact OG-OD1 3.32Å; S630-D632 PolarHBondContact OG-OD2 3.09Å; D632-T634 VanDerWaalsContact C-N 3.31Å; D632-T634 WeakPolarHBondContact OD1-CB 3.32Å; D632-T634 PolarHBondContact OD1-N 2.94Å; D632-T634 PolarHBondContact OD1-OG1 2.98Å |
| 633 | R | 96 | Very high | 93.2 | Very high | 109 Ų | 109 | 41.5 Ų | 41.5 | 41% | 0.411 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 77.8 | 14.9 | 176 | -43.4 | 170.4 | -77.6 | -176.9 | -0.9 | 113.4 | S630 R631 S666 R667 | S630-R633 PolarHBondContact O-N 3.32Å; S630-R633 VanDerWaalsContact O-N 3.11Å; R631-R633 PolarHBondContact O-N 2.83Å; R633-S666 WeakPolarHBondContact CD-O 3.26Å; R633-R667 WeakPolarHBondContact CB-O 3.46Å; R633-R667 WeakPolarHBondContact CG-O 3.46Å |
| 634 | T | 96.5 | Very high | 92.2 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.043 | 21% | 0.205 | C | C | . | . | trans | -119.5 | 161.5 | -179.9 | 71.6 | 0 | 0 | 0 | 0 | 111.8 | H610 S630 D632 T658 | H610-T634 PolarHBondContact CE1-O 3.33Å; H610-T634 PolarHBondContact CE1-OG1 3.07Å; H610-T634 PolarHBondContact ND1-OG1 3.07Å; S630-T634 PolarHBondContact N-O 2.56Å; S630-T634 VanDerWaalsContact N-O 3.09Å; D632-T634 VanDerWaalsContact C-N 3.31Å; D632-T634 WeakPolarHBondContact OD1-CB 3.32Å; D632-T634 PolarHBondContact OD1-N 2.94Å; D632-T634 PolarHBondContact OD1-OG1 2.98Å; T634-T658 WeakPolarHBondContact CA-OG1 3.46Å; T634-T658 VanDerWaalsContact CB-O 3.27Å; T634-T658 WeakPolarHBondContact CB-O 3.49Å; T634-T658 WeakPolarHBondContact CB-OG1 3.48Å; T634-T658 WeakPolarHBondContact CG2-O 3.33Å | ||
| 635 | W | 97.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 153.1 | 167.8 | 61.8 | -104 | 0 | 0 | 0 | 111 | L627 A628 V629 L637 A656 H657 T658 I669 F681 T683 W693 I710 | L627-W635 HydrophobicContact CD1-CB 4.32Å; L627-W635 HydrophobicContact CD1-CE3 4.24Å; A628-W635 CarbonylContact O-C 3.51Å; A628-W635 WeakPolarHBondContact O-CA 3.32Å; V629-W635 HydrophobicContact CG1-CB 3.77Å; W635-L637 HydrophobicContact CE3-CB 4.37Å; W635-L637 HydrophobicContact CZ3-CB 3.97Å; W635-A656 HydrophobicContact CH2-CB 4.17Å; W635-A656 HydrophobicContact CZ3-CB 4.05Å; W635-H657 WeakPolarHBondContact O-CA 3.21Å; W635-T658 HydrophobicContact CD2-CG2 4.22Å; W635-T658 VanDerWaalsContact CE2-CG2 3.45Å; W635-T658 HydrophobicContact CG-CG2 4.42Å; W635-T658 HydrophobicContact CZ2-CG2 3.72Å; W635-T658 PolarHBondContact N-OG1 2.97Å; W635-T658 VanDerWaalsContact NE1-CG2 3.25Å; W635-T658 PolarHBondContact O-N 3.28Å; W635-T658 PolarHBondContact O-OG1 2.85Å; W635-I669 HydrophobicContact CB-CD1 4.44Å; W635-F681 HydrophobicContact CD2-CE2 4.07Å; W635-F681 AromaticContact CD2-CZ 3.99Å; W635-F681 HydrophobicContact CD2-CZ 3.99Å; W635-F681 AromaticContact CE2-CZ 3.92Å; W635-F681 HydrophobicContact CE3-CE2 4.33Å; W635-F681 AromaticContact CE3-CZ 3.91Å; W635-F681 HydrophobicContact CE3-CZ 3.91Å; W635-F681 HydrophobicContact CG-CE2 4.46Å; W635-F681 AromaticContact CH2-CZ 3.88Å; W635-F681 HydrophobicContact CH2-CZ 3.88Å; W635-F681 AromaticContact CZ2-CZ 3.89Å; W635-F681 HydrophobicContact CZ2-CZ 3.89Å; W635-F681 AromaticContact CZ3-CZ 3.86Å; W635-F681 HydrophobicContact CZ3-CZ 3.86Å; W635-T683 HydrophobicContact CG-CG2 4.5Å; W635-W693 AromaticContact CD1-CZ2 3.97Å; W635-W693 HydrophobicContact CZ2-CD2 4.13Å; W635-W693 AromaticContact CZ2-CE3 3.69Å; W635-W693 HydrophobicContact CZ2-CE3 3.69Å; W635-W693 AromaticContact CZ2-CZ3 3.92Å; W635-W693 HydrophobicContact CZ2-CZ3 3.92Å; W635-W693 AromaticContact NE1-CD2 3.7Å; W635-W693 AromaticContact NE1-CE2 3.44Å; W635-W693 AromaticContact NE1-CE3 3.78Å; W635-W693 AromaticContact NE1-CH2 3.38Å; W635-W693 AromaticContact NE1-CZ2 3.3Å; W635-W693 VanDerWaalsContact NE1-CZ2 3.3Å; W635-W693 AromaticContact NE1-CZ3 3.63Å; W635-I710 HydrophobicContact CH2-CB 3.99Å; W635-I710 HydrophobicContact CH2-CG2 4.07Å; W635-I710 HydrophobicContact CZ2-CG2 4.35Å |
| 636 | S | 96.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 142 | 174.1 | 63.8 | 0 | 0 | 0 | 0 | 111.2 | H610 A628 W638 | H610-S636 PolarHBondContact NE2-OG 3.36Å; A628-S636 PolarHBondContact N-O 3.43Å; A628-S636 PolarHBondContact O-N 2.81Å; S636-W638 PolarHBondContact OG-NE1 2.95Å |
| 637 | L | 96.6 | Very high | 88 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 126.4 | -178.2 | -173.4 | 68.8 | 0 | 0 | 0 | 110.4 | F625 L627 W635 C655 A656 W674 F681 F706 I710 | F625-L637 HydrophobicContact CB-CD1 3.99Å; F625-L637 HydrophobicContact CD1-CD1 4.44Å; F625-L637 HydrophobicContact CD1-CD2 4.33Å; F625-L637 HydrophobicContact CD1-CG 4.28Å; L627-L637 HydrophobicContact CB-CD1 4.27Å; L627-L637 HydrophobicContact CD1-CD1 4.36Å; W635-L637 HydrophobicContact CE3-CB 4.37Å; W635-L637 HydrophobicContact CZ3-CB 3.97Å; L637-C655 PolarHBondContact O-N 2.87Å; L637-C655 PolarHBondContact O-SG 2.92Å; L637-A656 HydrophobicContact CB-CB 4.24Å; L637-A656 WeakPolarHBondContact CB-O 3.43Å; L637-A656 HydrophobicContact CD2-CB 4.4Å; L637-A656 PolarHBondContact N-O 3.34Å; L637-A656 PolarHBondContact O-N 2.79Å; L637-W674 HydrophobicContact CD1-CH2 3.59Å; L637-W674 HydrophobicContact CD1-CZ2 3.42Å; L637-W674 VanDerWaalsContact CD1-CZ2 3.42Å; L637-W674 HydrophobicContact CD2-CH2 4.5Å; L637-F681 HydrophobicContact CD2-CE1 4.41Å; L637-F706 HydrophobicContact CD2-CZ 3.89Å; L637-I710 HydrophobicContact CD2-CD1 3.29Å |
| 638 | W | 95.3 | Very high | 86.4 | Confident | 15 Ų | 15 | 63.6 Ų | 63.6 | 6% | 0.057 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 131.9 | -174.7 | -56.9 | 79 | 0 | 0 | 0 | 109.9 | L607 F625 L626 S636 F652 S653 L654 | L607-W638 HydrophobicContact CB-CD2 4.18Å; L607-W638 HydrophobicContact CB-CE3 4.13Å; L607-W638 HydrophobicContact CB-CH2 3.75Å; L607-W638 HydrophobicContact CB-CZ2 3.76Å; L607-W638 HydrophobicContact CB-CZ3 3.93Å; L607-W638 HydrophobicContact CD1-CD2 3.96Å; L607-W638 HydrophobicContact CD1-CE3 4.18Å; L607-W638 HydrophobicContact CD1-CG 4.1Å; L607-W638 HydrophobicContact CD2-CD2 4.37Å; L607-W638 HydrophobicContact CD2-CE3 3.75Å; L607-W638 HydrophobicContact CD2-CZ3 3.84Å; L607-W638 HydrophobicContact CG-CD2 4.4Å; L607-W638 HydrophobicContact CG-CE3 4.24Å; L607-W638 HydrophobicContact CG-CZ3 4.38Å; F625-W638 CarbonylContact C-O 3.49Å; F625-W638 WeakPolarHBondContact CA-O 3.39Å; L626-W638 HydrophobicContact CB-CB 4.32Å; L626-W638 PolarHBondContact N-O 3.09Å; L626-W638 PolarHBondContact O-N 3.09Å; S636-W638 PolarHBondContact OG-NE1 2.95Å; W638-F652 HydrophobicContact CB-CB 4.23Å; W638-F652 HydrophobicContact CB-CD1 4Å; W638-S653 CarbonylContact C-O 3.56Å; W638-S653 WeakPolarHBondContact CA-O 3.34Å; W638-L654 HydrophobicContact CD2-CB 4.23Å; W638-L654 HydrophobicContact CD2-CD1 4.09Å; W638-L654 HydrophobicContact CE3-CB 3.86Å; W638-L654 HydrophobicContact CH2-CB 3.99Å; W638-L654 HydrophobicContact CH2-CD1 4.35Å; W638-L654 HydrophobicContact CZ2-CB 4.36Å; W638-L654 HydrophobicContact CZ2-CD1 3.89Å; W638-L654 HydrophobicContact CZ3-CB 3.73Å |
| 639 | R | 92.4 | Very high | 84.9 | Confident | 72 Ų | 72 | 67.5 Ų | 67.5 | 27% | 0.272 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131.5 | 179.6 | -174.9 | 175.4 | 179.9 | -178.6 | -0.4 | 110.9 | K624 F625 F652 S653 C655 | K624-R639 WeakPolarHBondContact O-CA 3.15Å; F625-R639 HydrophobicContact CD1-CB 3.97Å; F625-R639 HydrophobicContact CD1-CG 4.16Å; F625-R639 HydrophobicContact CE1-CB 3.78Å; F625-R639 HydrophobicContact CE1-CG 3.63Å; F625-R639 HydrophobicContact CZ-CG 4.3Å; R639-F652 WeakPolarHBondContact O-CA 3.49Å; R639-S653 PolarHBondContact N-O 2.82Å; R639-S653 PolarHBondContact O-N 3.26Å; R639-C655 HydrophobicContact CB-CB 4.09Å |
| 640 | R | 89.7 | Confident | 83.5 | Confident | 67 Ų | 67 | 68.6 Ų | 68.6 | 25% | 0.253 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 122.8 | 170.5 | -166.9 | 173.9 | -177.6 | 162 | 5.7 | 109.2 | D573 A623 K624 P650 F652 | D573-R640 IonicContact OD2-NH1 3.88Å; A623-R640 WeakPolarHBondContact O-CD 3.44Å; K624-R640 WeakPolarHBondContact O-CB 3.2Å; K624-R640 PolarHBondContact O-N 2.77Å; R640-P650 HydrophobicContact CG-CB 4.03Å; R640-P650 HydrophobicContact CG-CG 4.04Å; R640-F652 HydrophobicContact CB-CD1 4.26Å; R640-F652 HydrophobicContact CB-CE1 3.76Å; R640-F652 HydrophobicContact CB-CE2 4.11Å; R640-F652 HydrophobicContact CB-CZ 3.67Å; R640-F652 HydrophobicContact CG-CE1 4.45Å; R640-F652 HydrophobicContact CG-CE2 3.92Å; R640-F652 HydrophobicContact CG-CZ 3.88Å |
| 641 | K | 85 | Confident | 82.9 | Confident | 117 Ų | 117 | 70.4 Ų | 70.4 | 51% | 0.509 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 165.3 | 174.3 | -65.8 | -167.7 | 179.8 | -178.7 | 0 | 110.9 | P650 P651 S653 | K641-P650 WeakPolarHBondContact O-CB 3.5Å; K641-P651 HydrophobicContact CB-CG 4.31Å; K641-P651 WeakPolarHBondContact CB-O 3.39Å; K641-P651 HydrophobicContact CD-CG 4.35Å; K641-P651 PolarHBondContact N-O 2.83Å; K641-S653 WeakPolarHBondContact CE-OG 3.5Å |
| 642 | L | 77.4 | Confident | 82.6 | Confident | 153 Ų | 153 | 65 Ų | 65 | 80% | 0.801 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 142 | 170.9 | -71.5 | 167.7 | 0 | 0 | 0 | 109.6 | T644 | L642-T644 PolarHBondContact O-N 2.86Š|
| 643 | P | 71.8 | Confident | 82.4 | Confident | 79 Ų | 79 | 66.3 Ų | 66.3 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 135.7 | 173.4 | 25.7 | -31.1 | 0 | 0 | 0 | 109.5 | ||
| 644 | T | 71.4 | Confident | 82.3 | Confident | 72 Ų | 72 | 64.1 Ų | 64.1 | 44% | 0.442 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -107.2 | 155.7 | 175.6 | 48.6 | 0 | 0 | 0 | 0 | 109.4 | L642 E646 N647 | L642-T644 PolarHBondContact O-N 2.86Å; T644-E646 PolarHBondContact O-N 2.76Å; T644-N647 PolarHBondContact N-O 2.92Å; T644-N647 CarbonylContact O-C 3.53Å; T644-N647 PolarHBondContact O-N 2.94Å; T644-N647 VanDerWaalsContact O-O 3.09Å; T644-N647 PolarHBondContact OG1-N 2.88Å |
| 645 | P | 68.6 | Low | 82 | Confident | 141 Ų | 141 | 65.7 Ų | 65.7 | 92% | 0.916 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -30.1 | 175.5 | -25.3 | 33.8 | 0 | 0 | 0 | 113.4 | ||
| 646 | E | 63.9 | Low | 81.7 | Confident | 191 Ų | 191 | 66 Ų | 66 | 89% | 0.893 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -17.8 | 177.1 | -61.6 | 179.5 | 179.9 | 0 | 0 | 113.9 | T644 | T644-E646 PolarHBondContact O-N 2.76Š|
| 647 | N | 64.1 | Low | 81.5 | Confident | 77 Ų | 77 | 70.2 Ų | 70.2 | 41% | 0.412 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -144.7 | 84.5 | -176.4 | -147.3 | 3.1 | 0 | 0 | 0 | 110 | T644 E649 | T644-N647 PolarHBondContact N-O 2.92Å; T644-N647 CarbonylContact O-C 3.53Å; T644-N647 PolarHBondContact O-N 2.94Å; T644-N647 VanDerWaalsContact O-O 3.09Å; T644-N647 PolarHBondContact OG1-N 2.88Å; N647-E649 PolarHBondContact O-N 2.87Å |
| 648 | P | 63.8 | Low | 81.3 | Confident | 103 Ų | 103 | 70.6 Ų | 70.6 | 67% | 0.669 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -67.6 | -22.8 | -174 | 23.9 | -31.4 | 0 | 0 | 0 | 113 | P650 | P648-P650 WeakPolarHBondContact O-CD 3.28Š|
| 649 | E | 67.3 | Low | 80.9 | Confident | 83 Ų | 83 | 71.2 Ų | 71.2 | 39% | 0.388 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -94.8 | 109.2 | 171.9 | -69.9 | 180 | 147 | 0 | 0 | 109.4 | L604 N647 | L604-E649 HydrophobicContact CD1-CB 4.35Å; L604-E649 WeakPolarHBondContact CD2-OE2 3.24Å; N647-E649 PolarHBondContact O-N 2.87Å |
| 650 | P | 68.1 | Low | 80.2 | Confident | 22 Ų | 22 | 75.1 Ų | 75.1 | 14% | 0.143 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -67 | 124.3 | -169.3 | 23 | -33.2 | 0 | 0 | 0 | 112.3 | R640 K641 P648 | R640-P650 HydrophobicContact CG-CB 4.03Å; R640-P650 HydrophobicContact CG-CG 4.04Å; K641-P650 WeakPolarHBondContact O-CB 3.5Å; P648-P650 WeakPolarHBondContact O-CD 3.28Å |
| 651 | P | 86.1 | Confident | 79.8 | Confident | 38 Ų | 38 | 78.6 Ų | 78.6 | 25% | 0.247 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 153.3 | -179.8 | 29.9 | -34.8 | 0 | 0 | 0 | 111.7 | K641 | K641-P651 HydrophobicContact CB-CG 4.31Å; K641-P651 WeakPolarHBondContact CB-O 3.39Å; K641-P651 HydrophobicContact CD-CG 4.35Å; K641-P651 PolarHBondContact N-O 2.83Å |
| 652 | F | 92 | Very high | 79.7 | Confident | 4 Ų | 4 | 76.3 Ų | 76.3 | 2% | 0.018 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 139 | 169.3 | -79.7 | -101.9 | 0 | 0 | 0 | 110.4 | L578 L595 Q605 L607 F619 L626 W638 R639 R640 | L578-F652 HydrophobicContact CD1-CE2 3.75Å; L578-F652 HydrophobicContact CD1-CZ 4.31Å; L595-F652 HydrophobicContact CD1-CB 4.17Å; L595-F652 HydrophobicContact CD1-CD2 3.42Å; L595-F652 VanDerWaalsContact CD1-CD2 3.42Å; L595-F652 HydrophobicContact CD1-CE2 4.04Å; L595-F652 HydrophobicContact CD1-CG 3.96Å; Q605-F652 PolarHBondContact NE2-O 2.97Å; Q605-F652 PolarHBondContact OE1-O 3.03Å; L607-F652 HydrophobicContact CD1-CB 4.37Å; L607-F652 HydrophobicContact CD2-CB 4.06Å; F619-F652 HydrophobicContact CD1-CZ 4.41Å; F619-F652 HydrophobicContact CE1-CE1 4.24Å; F619-F652 AromaticContact CE1-CZ 3.83Å; F619-F652 HydrophobicContact CE1-CZ 3.83Å; L626-F652 HydrophobicContact CB-CD1 4.11Å; L626-F652 HydrophobicContact CB-CE1 3.9Å; W638-F652 HydrophobicContact CB-CB 4.23Å; W638-F652 HydrophobicContact CB-CD1 4Å; R639-F652 WeakPolarHBondContact O-CA 3.49Å; R640-F652 HydrophobicContact CB-CD1 4.26Å; R640-F652 HydrophobicContact CB-CE1 3.76Å; R640-F652 HydrophobicContact CB-CE2 4.11Å; R640-F652 HydrophobicContact CB-CZ 3.67Å; R640-F652 HydrophobicContact CG-CE1 4.45Å; R640-F652 HydrophobicContact CG-CE2 3.92Å; R640-F652 HydrophobicContact CG-CZ 3.88Å |
| 653 | S | 91.9 | Very high | 79.9 | Confident | 38 Ų | 38 | 70.6 Ų | 70.6 | 27% | 0.266 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 139.9 | 172.5 | 56.5 | 0 | 0 | 0 | 0 | 111.4 | W638 R639 K641 C655 | W638-S653 CarbonylContact C-O 3.56Å; W638-S653 WeakPolarHBondContact CA-O 3.34Å; R639-S653 PolarHBondContact N-O 2.82Å; R639-S653 PolarHBondContact O-N 3.26Å; K641-S653 WeakPolarHBondContact CE-OG 3.5Å; S653-C655 PolarHBondContact O-N 3.06Å |
| 654 | L | 92.7 | Very high | 80.5 | Confident | 63 Ų | 63 | 69.1 Ų | 69.1 | 33% | 0.33 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 122.8 | 176.6 | -173.5 | 69.1 | 0 | 0 | 0 | 109.7 | Y609 W638 H657 | Y609-L654 HydrophobicContact CD2-CD2 3.71Å; Y609-L654 HydrophobicContact CE2-CD2 4.1Å; W638-L654 HydrophobicContact CD2-CB 4.23Å; W638-L654 HydrophobicContact CD2-CD1 4.09Å; W638-L654 HydrophobicContact CE3-CB 3.86Å; W638-L654 HydrophobicContact CH2-CB 3.99Å; W638-L654 HydrophobicContact CH2-CD1 4.35Å; W638-L654 HydrophobicContact CZ2-CB 4.36Å; W638-L654 HydrophobicContact CZ2-CD1 3.89Å; W638-L654 HydrophobicContact CZ3-CB 3.73Å; L654-H657 HydrophobicContact CD1-CB 4.4Å |
| 655 | C | 90.4 | Very high | 81.6 | Confident | 40 Ų | 40 | 66 Ų | 66 | 27% | 0.27 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | -27.4 | -178.6 | 62.3 | 0 | 0 | 0 | 0 | 113.6 | L637 R639 S653 F706 | L637-C655 PolarHBondContact O-N 2.87Å; L637-C655 PolarHBondContact O-SG 2.92Å; R639-C655 HydrophobicContact CB-CB 4.09Å; S653-C655 PolarHBondContact O-N 3.06Å; C655-F706 HydrophobicContact CB-CD1 4.08Å; C655-F706 HydrophobicContact CB-CE1 3.82Å; C655-F706 HydrophobicContact CB-CZ 4.13Å; C655-F706 WeakPolarHBondContact SG-CZ 3.25Å |
| 656 | A | 91.4 | Very high | 82.9 | Confident | 11 Ų | 11 | 62.5 Ų | 62.5 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 155.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | W635 L637 F706 I710 | W635-A656 HydrophobicContact CH2-CB 4.17Å; W635-A656 HydrophobicContact CZ3-CB 4.05Å; L637-A656 HydrophobicContact CB-CB 4.24Å; L637-A656 WeakPolarHBondContact CB-O 3.43Å; L637-A656 HydrophobicContact CD2-CB 4.4Å; L637-A656 PolarHBondContact N-O 3.34Å; L637-A656 PolarHBondContact O-N 2.79Å; A656-F706 HydrophobicContact CB-CE1 4.08Å; A656-I710 HydrophobicContact CB-CB 4.38Å; A656-I710 HydrophobicContact CB-CD1 3.57Å; A656-I710 HydrophobicContact CB-CG1 3.88Å |
| 657 | H | 92.4 | Very high | 84.5 | Confident | 89 Ų | 89 | 60.5 Ų | 60.5 | 41% | 0.412 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 161.3 | 176.9 | 57.7 | -86.8 | 0 | 0 | 0 | 110.5 | Y609 W635 L654 | Y609-H657 HydrophobicContact CE1-CB 4.16Å; Y609-H657 HydrophobicContact CE2-CB 3.9Å; Y609-H657 AromaticContact CE2-CD2 3.72Å; Y609-H657 AromaticContact CE2-CG 3.68Å; Y609-H657 AromaticContact CZ-CD2 3.68Å; Y609-H657 AromaticContact CZ-CG 3.72Å; Y609-H657 WeakPolarHBondContact OH-CB 3.4Å; Y609-H657 PolarHBondContact OH-CD2 2.88Å; W635-H657 WeakPolarHBondContact O-CA 3.21Å; L654-H657 HydrophobicContact CD1-CB 4.4Å |
| 658 | T | 92.4 | Very high | 86.1 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.043 | 32% | 0.319 | C | S | . | . | trans | -97 | 137.5 | 161.5 | 50.7 | 0 | 0 | 0 | 0 | 110.1 | Y609 T634 W635 W693 | Y609-T658 PolarHBondContact OH-O 2.87Å; T634-T658 WeakPolarHBondContact CA-OG1 3.46Å; T634-T658 VanDerWaalsContact CB-O 3.27Å; T634-T658 WeakPolarHBondContact CB-O 3.49Å; T634-T658 WeakPolarHBondContact CB-OG1 3.48Å; T634-T658 WeakPolarHBondContact CG2-O 3.33Å; W635-T658 HydrophobicContact CD2-CG2 4.22Å; W635-T658 VanDerWaalsContact CE2-CG2 3.45Å; W635-T658 HydrophobicContact CG-CG2 4.42Å; W635-T658 HydrophobicContact CZ2-CG2 3.72Å; W635-T658 PolarHBondContact N-OG1 2.97Å; W635-T658 VanDerWaalsContact NE1-CG2 3.25Å; W635-T658 PolarHBondContact O-N 3.28Å; W635-T658 PolarHBondContact O-OG1 2.85Å; T658-W693 HydrophobicContact CG2-CH2 4.17Å; T658-W693 HydrophobicContact CG2-CZ3 4.31Å | ||
| 659 | A | 85.6 | Confident | 87.7 | Confident | 29 Ų | 29 | 53 Ų | 53 | 24% | 0.24 | 29% | 0.287 | C | S | . | . | trans | -100.2 | 175.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | D661 T662 A663 | A659-D661 WeakPolarHBondContact CB-OD1 3.26Å; A659-D661 PolarHBondContact O-N 2.89Å; A659-T662 PolarHBondContact N-OG1 2.98Å; A659-T662 CarbonylContact O-C 3.58Å; A659-T662 PolarHBondContact O-N 2.89Å; A659-T662 PolarHBondContact O-OG1 2.89Å; A659-A663 WeakPolarHBondContact O-CB 3.4Å; A659-A663 PolarHBondContact O-N 3Å | ||
| 660 | K | 79 | Confident | 89.2 | Confident | 154 Ų | 154 | 52.3 Ų | 52.3 | 67% | 0.67 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -28 | -175.4 | -74.5 | -178.4 | -179.6 | 173.8 | 0 | 113.6 | ||
| 661 | D | 80.8 | Confident | 90.7 | Very high | 140 Ų | 140 | 51.3 Ų | 51.3 | 75% | 0.749 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -30.5 | 176.4 | 56.7 | -22.1 | 0 | 0 | 0 | 112.7 | A659 | A659-D661 WeakPolarHBondContact CB-OD1 3.26Å; A659-D661 PolarHBondContact O-N 2.89Å |
| 662 | T | 83.1 | Confident | 91.3 | Very high | 69 Ų | 69 | 49.5 Ų | 49.5 | 42% | 0.423 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 5.8 | 177.5 | 60 | 0 | 0 | 0 | 0 | 114 | A659 T664 | A659-T662 PolarHBondContact N-OG1 2.98Å; A659-T662 CarbonylContact O-C 3.58Å; A659-T662 PolarHBondContact O-N 2.89Å; A659-T662 PolarHBondContact O-OG1 2.89Å; T662-T664 PolarHBondContact O-N 2.86Å; T662-T664 VanDerWaalsContact O-N 3.15Å |
| 663 | A | 80.8 | Confident | 91.6 | Very high | 32 Ų | 32 | 50.4 Ų | 50.4 | 26% | 0.264 | 27% | 0.268 | S | S | . | . | trans | -69.2 | 109.5 | -178 | 0 | 0 | 0 | 0 | 0 | 111.6 | A659 H665 | A659-A663 WeakPolarHBondContact O-CB 3.4Å; A659-A663 PolarHBondContact O-N 3Å; A663-H665 VanDerWaalsContact C-N 3.34Å | ||
| 664 | T | 85.2 | Confident | 91.9 | Very high | 49 Ų | 49 | 48.9 Ų | 48.9 | 30% | 0.301 | 26% | 0.256 | S | S | . | . | trans | -72.1 | -28.4 | 175.3 | -43.5 | 0 | 0 | 0 | 0 | 112.7 | T662 I691 W693 I716 | T662-T664 PolarHBondContact O-N 2.86Å; T662-T664 VanDerWaalsContact O-N 3.15Å; T664-I691 HydrophobicContact CG2-CD1 3.57Å; T664-W693 WeakPolarHBondContact OG1-CH2 3.49Å; T664-I716 HydrophobicContact CG2-CD1 4.21Å | ||
| 665 | H | 95 | Very high | 92 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.028 | 24% | 0.241 | C | C | . | . | trans | -86 | 133.1 | 174.9 | -74.2 | -62.7 | 0 | 0 | 0 | 111.3 | A663 I669 T683 S685 D687 K689 | A663-H665 VanDerWaalsContact C-N 3.34Å; H665-I669 HydrophobicContact CB-CD1 4.43Å; H665-I669 HydrophobicContact CB-CG1 4.09Å; H665-T683 PolarHBondContact NE2-OG1 3.04Å; H665-S685 WeakPolarHBondContact ND1-CB 3.33Å; H665-D687 VanDerWaalsContact CA-OD2 3.23Å; H665-D687 WeakPolarHBondContact CA-OD2 3.4Å; H665-D687 IonicContact CG-OD2 2.7Å; H665-D687 IonicContact ND1-OD1 3.98Å; H665-D687 PolarHBondContact ND1-OD1 3Å; H665-D687 IonicContact ND1-OD2 3.76Å; H665-D687 PolarHBondContact ND1-OD2 3.23Å; H665-K689 PolarHBondContact CE1-O 2.8Å | ||
| 666 | S | 95.4 | Very high | 92.2 | Very high | 68 Ų | 68 | 46 Ų | 46 | 48% | 0.476 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -89.9 | -14.2 | -178.6 | 65.2 | 0 | 0 | 0 | 0 | 113.7 | R633 D687 | R633-S666 WeakPolarHBondContact CD-O 3.26Å; S666-D687 PolarHBondContact N-OD2 3.29Å; S666-D687 WeakPolarHBondContact OG-CB 3.25Å; S666-D687 PolarHBondContact OG-OD2 2.8Å |
| 667 | R | 97.2 | Very high | 92.3 | Very high | 149 Ų | 149 | 48.2 Ų | 48.2 | 56% | 0.562 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -133.9 | -178.6 | -178.6 | -59.4 | -71.1 | -168.1 | 161.8 | 1.4 | 110.3 | R633 I669 S685 R686 D687 | R633-R667 WeakPolarHBondContact CB-O 3.46Å; R633-R667 WeakPolarHBondContact CG-O 3.46Å; R667-I669 PolarHBondContact O-N 3Å; R667-S685 PolarHBondContact O-OG 2.85Å; R667-R686 HydrophobicContact CB-CB 3.83Å; R667-R686 HydrophobicContact CB-CG 4.37Å; R667-D687 HydrophobicContact CB-CB 3.94Å; R667-D687 HydrophobicContact CG-CB 3.86Å |
| 668 | I | 97.4 | Very high | 92.4 | Very high | 22 Ų | 22 | 44.3 Ų | 44.3 | 11% | 0.113 | 23% | 0.234 | C | C | . | . | trans | -52.2 | 130.9 | -178.8 | -65.1 | 166.5 | 0 | 0 | 0 | 110.1 | T615 R631 W670 S685 R686 | T615-I668 HydrophobicContact CG2-CG2 4.2Å; R631-I668 HydrophobicContact CB-CG1 4.3Å; R631-I668 HydrophobicContact CB-CG2 4.44Å; R631-I668 HydrophobicContact CG-CD1 4.42Å; R631-I668 HydrophobicContact CG-CG1 4.43Å; R631-I668 HydrophobicContact CG-CG2 4.03Å; I668-W670 HydrophobicContact CB-CZ2 4.49Å; I668-W670 HydrophobicContact CD1-CH2 4.12Å; I668-W670 HydrophobicContact CD1-CZ2 4.16Å; I668-W670 HydrophobicContact CG2-CD2 3.74Å; I668-W670 HydrophobicContact CG2-CE3 3.73Å; I668-W670 HydrophobicContact CG2-CG 4.38Å; I668-W670 HydrophobicContact CG2-CH2 4.09Å; I668-W670 HydrophobicContact CG2-CZ2 4.11Å; I668-W670 HydrophobicContact CG2-CZ3 3.9Å; I668-S685 VanDerWaalsContact O-CA 3.29Å; I668-S685 WeakPolarHBondContact O-CA 3.47Å; I668-S685 WeakPolarHBondContact O-CB 3.35Å; I668-S685 PolarHBondContact O-OG 2.75Å; I668-S685 VanDerWaalsContact O-OG 3.05Å; I668-R686 HydrophobicContact CB-CB 4.41Å; I668-R686 PolarHBondContact O-N 2.89Å | ||
| 669 | I | 98.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 120.8 | 166.6 | -52.3 | 179 | 0 | 0 | 0 | 107 | T615 V629 S630 W635 H665 R667 T683 S684 | T615-I669 WeakPolarHBondContact CB-O 3.38Å; T615-I669 PolarHBondContact OG1-O 2.93Å; V629-I669 HydrophobicContact CB-CB 4.07Å; V629-I669 HydrophobicContact CB-CG2 3.63Å; V629-I669 HydrophobicContact CG1-CG2 3.84Å; V629-I669 HydrophobicContact CG2-CG2 4.05Å; S630-I669 PolarHBondContact O-N 3.11Å; W635-I669 HydrophobicContact CB-CD1 4.44Å; H665-I669 HydrophobicContact CB-CD1 4.43Å; H665-I669 HydrophobicContact CB-CG1 4.09Å; R667-I669 PolarHBondContact O-N 3Å; I669-T683 HydrophobicContact CG2-CG2 4.42Å; I669-S684 CarbonylContact C-O 3.59Å; I669-S684 WeakPolarHBondContact CA-O 3.25Å; I669-S684 VanDerWaalsContact CG2-O 3.27Å; I669-S684 WeakPolarHBondContact CG2-O 3.28Å |
| 670 | W | 98.4 | Very high | 92.8 | Very high | 68 Ų | 68 | 47 Ų | 47 | 26% | 0.258 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -43.1 | -176 | -74.9 | 129 | 0 | 0 | 0 | 112.5 | T615 I668 S684 | T615-W670 HydrophobicContact CG2-CE3 4.04Å; T615-W670 HydrophobicContact CG2-CZ3 4.22Å; I668-W670 HydrophobicContact CB-CZ2 4.49Å; I668-W670 HydrophobicContact CD1-CH2 4.12Å; I668-W670 HydrophobicContact CD1-CZ2 4.16Å; I668-W670 HydrophobicContact CG2-CD2 3.74Å; I668-W670 HydrophobicContact CG2-CE3 3.73Å; I668-W670 HydrophobicContact CG2-CG 4.38Å; I668-W670 HydrophobicContact CG2-CH2 4.09Å; I668-W670 HydrophobicContact CG2-CZ2 4.11Å; I668-W670 HydrophobicContact CG2-CZ3 3.9Å; W670-S684 PolarHBondContact N-O 2.89Å |
| 671 | S | 98.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 151.6 | -168.5 | -172 | 0 | 0 | 0 | 0 | 112 | Q616 S684 T724 V726 | Q616-S671 PolarHBondContact NE2-OG 2.82Å; Q616-S671 VanDerWaalsContact NE2-OG 3.08Å; Q616-S671 PolarHBondContact OE1-OG 3.34Å; S671-S684 WeakPolarHBondContact CB-OG 3.48Å; S671-S684 PolarHBondContact N-O 3.22Å; S671-S684 PolarHBondContact O-N 2.91Å; S671-S684 PolarHBondContact O-OG 3.2Å; S671-T724 WeakPolarHBondContact CB-O 3.37Å; S671-V726 PolarHBondContact OG-N 3.49Å |
| 672 | C | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 149 | 178.6 | 66.2 | 0 | 0 | 0 | 0 | 112.2 | Q616 L627 V629 V682 T683 | Q616-C672 PolarHBondContact NE2-O 2.85Å; L627-C672 HydrophobicContact CD2-CB 3.59Å; L627-C672 HydrophobicContact CG-CB 4.32Å; V629-C672 HydrophobicContact CG1-CB 3.58Å; V629-C672 HydrophobicContact CG2-CB 4.04Å; C672-V682 WeakPolarHBondContact CA-O 3.38Å; C672-V682 VanDerWaalsContact CB-O 3.27Å; C672-V682 WeakPolarHBondContact CB-O 3.39Å; C672-T683 HydrophobicContact CB-CG2 4.42Å |
| 673 | D | 98.4 | Very high | 95.2 | Very high | 22 Ų | 22 | 29.7 Ų | 29.7 | 12% | 0.118 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 166.4 | 176.8 | -159.2 | 23.4 | 0 | 0 | 0 | 111.7 | F681 V682 A727 F728 R786 | D673-F681 CarbonylContact O-C 3.6Å; D673-F681 VanDerWaalsContact O-CA 3.27Å; D673-F681 WeakPolarHBondContact O-CA 3.4Å; D673-F681 WeakPolarHBondContact O-CB 3.35Å; D673-V682 HydrophobicContact CB-CG1 4.08Å; D673-V682 PolarHBondContact N-O 3.11Å; D673-V682 PolarHBondContact O-N 2.8Å; D673-A727 VanDerWaalsContact OD2-CA 3.27Å; D673-A727 WeakPolarHBondContact OD2-CA 3.31Å; D673-F728 PolarHBondContact OD2-N 3.04Å; D673-R786 IonicContact OD1-NH1 2.8Å |
| 674 | W | 97.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 28.1 Ų | 28.1 | 3% | 0.027 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 143.9 | -177.4 | -76 | 92.4 | 0 | 0 | 0 | 112.4 | A618 F619 P621 F625 L627 L637 F681 C696 F728 | A618-W674 PolarHBondContact O-NE1 3.38Å; F619-W674 VanDerWaalsContact O-CD1 3.22Å; P621-W674 HydrophobicContact CG-CB 4.36Å; F625-W674 HydrophobicContact CB-CH2 3.72Å; F625-W674 HydrophobicContact CB-CZ2 3.69Å; F625-W674 HydrophobicContact CD2-CH2 4.36Å; F625-W674 HydrophobicContact CG-CH2 4.15Å; L627-W674 HydrophobicContact CB-CZ2 3.94Å; L637-W674 HydrophobicContact CD1-CH2 3.59Å; L637-W674 HydrophobicContact CD1-CZ2 3.42Å; L637-W674 VanDerWaalsContact CD1-CZ2 3.42Å; L637-W674 HydrophobicContact CD2-CH2 4.5Å; W674-F681 HydrophobicContact CD2-CB 3.96Å; W674-F681 HydrophobicContact CE3-CB 3.95Å; W674-F681 HydrophobicContact CG-CB 4.48Å; W674-F681 HydrophobicContact CH2-CB 4.49Å; W674-F681 HydrophobicContact CH2-CD1 4.03Å; W674-F681 HydrophobicContact CZ2-CD1 4.5Å; W674-F681 HydrophobicContact CZ3-CB 4.22Å; W674-F681 HydrophobicContact CZ3-CD1 4.15Å; W674-C696 HydrophobicContact CZ3-CB 4.35Å; W674-F728 VanDerWaalsContact O-CB 3.28Å; W674-F728 WeakPolarHBondContact O-CB 3.08Å; W674-F728 WeakPolarHBondContact O-CD2 3.24Å |
| 675 | S | 96.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -62.7 | 149 | 168.3 | 67.2 | 0 | 0 | 0 | 0 | 110.2 | P621 D677 S678 K679 Y680 | P621-S675 WeakPolarHBondContact CG-O 3.49Å; S675-D677 WeakPolarHBondContact CB-OD1 3.37Å; S675-D677 PolarHBondContact O-N 2.94Å; S675-D677 PolarHBondContact OG-OD1 3.39Å; S675-S678 PolarHBondContact O-N 2.84Å; S675-K679 PolarHBondContact OG-N 3.19Å; S675-Y680 WeakPolarHBondContact CB-O 3.34Å; S675-Y680 PolarHBondContact N-O 2.87Å; S675-Y680 PolarHBondContact OG-N 2.98Å; S675-Y680 PolarHBondContact OG-O 2.82Å; S675-Y680 VanDerWaalsContact OG-O 3.07Å | ||
| 676 | P | 93.9 | Very high | 96.9 | Very high | 41 Ų | 41 | 32 Ų | 32 | 27% | 0.266 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -22.9 | -175.2 | 21.2 | -33.9 | 0 | 0 | 0 | 114.4 | P730 L732 Y738 | P676-P730 WeakPolarHBondContact CB-O 3.34Å; P676-L732 HydrophobicContact CG-CD2 4.35Å; P676-Y738 HydrophobicContact CG-CD1 4.22Å; P676-Y738 HydrophobicContact CG-CE1 4.3Å |
| 677 | D | 93.1 | Very high | 97 | Very high | 59 Ų | 59 | 29.6 Ų | 29.6 | 32% | 0.316 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 5.8 | 178.9 | 62.7 | -3.9 | 0 | 0 | 0 | 113.9 | S675 K679 Y738 | S675-D677 WeakPolarHBondContact CB-OD1 3.37Å; S675-D677 PolarHBondContact O-N 2.94Å; S675-D677 PolarHBondContact OG-OD1 3.39Å; D677-K679 HydrophobicContact CB-CG 4.35Å; D677-K679 PolarHBondContact O-N 3.47Å; D677-K679 VanDerWaalsContact O-N 3.1Å; D677-K679 PolarHBondContact OD1-N 3.36Å; D677-K679 WeakPolarHBondContact OD2-CD 3.29Å; D677-Y738 PolarHBondContact OD2-OH 2.84Å |
| 678 | S | 94 | Very high | 97 | Very high | 7 Ų | 7 | 26.7 Ų | 26.7 | 5% | 0.049 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 60.7 | 12 | -177.7 | -47.9 | 0 | 0 | 0 | 0 | 115.2 | P621 D622 S675 | P621-S678 WeakPolarHBondContact CB-OG 3.47Å; P621-S678 VanDerWaalsContact CD-OG 3.25Å; P621-S678 WeakPolarHBondContact CD-OG 3.38Å; D622-S678 PolarHBondContact N-OG 2.82Å; D622-S678 VanDerWaalsContact N-OG 3.1Å; S675-S678 PolarHBondContact O-N 2.84Å |
| 679 | K | 92 | Very high | 97 | Very high | 64 Ų | 64 | 28.7 Ų | 28.7 | 28% | 0.278 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -80.7 | -34.6 | -178.9 | -69.3 | -170.2 | -179.6 | -175.2 | 0 | 112.8 | S675 D677 P695 C696 E699 | S675-K679 PolarHBondContact OG-N 3.19Å; D677-K679 HydrophobicContact CB-CG 4.35Å; D677-K679 PolarHBondContact O-N 3.47Å; D677-K679 VanDerWaalsContact O-N 3.1Å; D677-K679 PolarHBondContact OD1-N 3.36Å; D677-K679 WeakPolarHBondContact OD2-CD 3.29Å; K679-P695 CarbonylContact O-C 3.56Å; K679-P695 WeakPolarHBondContact O-CA 3.48Å; K679-C696 PolarHBondContact O-N 2.94Å; K679-E699 IonicContact NZ-OE1 3.72Å; K679-E699 PolarHBondContact NZ-OE1 2.74Å |
| 680 | Y | 95.1 | Very high | 97 | Very high | 27 Ų | 27 | 28.6 Ų | 28.6 | 11% | 0.106 | 13% | 0.128 | C | C | . | . | trans | -130.9 | 157.8 | -172.9 | -52.5 | -78.3 | 0 | 0 | 0 | 111.1 | S675 V692 W693 P695 C713 Y738 W754 P756 | S675-Y680 WeakPolarHBondContact CB-O 3.34Å; S675-Y680 PolarHBondContact N-O 2.87Å; S675-Y680 PolarHBondContact OG-N 2.98Å; S675-Y680 PolarHBondContact OG-O 2.82Å; S675-Y680 VanDerWaalsContact OG-O 3.07Å; Y680-V692 HydrophobicContact CG-CG1 4.36Å; Y680-W693 VanDerWaalsContact CA-O 3.29Å; Y680-W693 WeakPolarHBondContact CA-O 3.49Å; Y680-W693 WeakPolarHBondContact CB-O 3.45Å; Y680-P695 HydrophobicContact CE1-CB 4.04Å; Y680-C713 VanDerWaalsContact CD1-SG 3.55Å; Y680-Y738 HydrophobicContact CD2-CE2 4.21Å; Y680-Y738 AromaticContact CD2-CZ 3.95Å; Y680-Y738 HydrophobicContact CE2-CE2 4.17Å; Y680-Y738 WeakPolarHBondContact CE2-OH 3.4Å; Y680-W754 AromaticContact CD1-CH2 3.93Å; Y680-W754 HydrophobicContact CD1-CH2 3.93Å; Y680-W754 HydrophobicContact CD2-CH2 4.05Å; Y680-W754 AromaticContact CD2-CZ3 3.95Å; Y680-W754 HydrophobicContact CD2-CZ3 3.95Å; Y680-W754 HydrophobicContact CE1-CH2 4.13Å; Y680-W754 HydrophobicContact CE2-CH2 4.24Å; Y680-W754 HydrophobicContact CE2-CZ3 4.36Å; Y680-W754 AromaticContact CG-CH2 3.89Å; Y680-W754 HydrophobicContact CG-CH2 3.89Å; Y680-W754 HydrophobicContact CG-CZ3 4.05Å; Y680-P756 HydrophobicContact CE2-CG 3.86Å | ||
| 681 | F | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 156.7 | 167.2 | 65.5 | -93.5 | 0 | 0 | 0 | 110.6 | L627 W635 L637 D673 W674 T683 V692 W693 I710 | L627-F681 HydrophobicContact CD1-CD2 4.02Å; L627-F681 HydrophobicContact CD1-CE2 3.91Å; L627-F681 HydrophobicContact CD1-CG 4.46Å; L627-F681 HydrophobicContact CD1-CZ 4.28Å; L627-F681 HydrophobicContact CD2-CB 3.78Å; L627-F681 HydrophobicContact CD2-CD2 3.48Å; L627-F681 VanDerWaalsContact CD2-CD2 3.48Å; L627-F681 HydrophobicContact CD2-CE2 4.21Å; L627-F681 HydrophobicContact CD2-CG 3.74Å; L627-F681 HydrophobicContact CG-CD2 4.43Å; W635-F681 HydrophobicContact CD2-CE2 4.07Å; W635-F681 AromaticContact CD2-CZ 3.99Å; W635-F681 HydrophobicContact CD2-CZ 3.99Å; W635-F681 AromaticContact CE2-CZ 3.92Å; W635-F681 HydrophobicContact CE3-CE2 4.33Å; W635-F681 AromaticContact CE3-CZ 3.91Å; W635-F681 HydrophobicContact CE3-CZ 3.91Å; W635-F681 HydrophobicContact CG-CE2 4.46Å; W635-F681 AromaticContact CH2-CZ 3.88Å; W635-F681 HydrophobicContact CH2-CZ 3.88Å; W635-F681 AromaticContact CZ2-CZ 3.89Å; W635-F681 HydrophobicContact CZ2-CZ 3.89Å; W635-F681 AromaticContact CZ3-CZ 3.86Å; W635-F681 HydrophobicContact CZ3-CZ 3.86Å; L637-F681 HydrophobicContact CD2-CE1 4.41Å; D673-F681 CarbonylContact O-C 3.6Å; D673-F681 VanDerWaalsContact O-CA 3.27Å; D673-F681 WeakPolarHBondContact O-CA 3.4Å; D673-F681 WeakPolarHBondContact O-CB 3.35Å; W674-F681 HydrophobicContact CD2-CB 3.96Å; W674-F681 HydrophobicContact CE3-CB 3.95Å; W674-F681 HydrophobicContact CG-CB 4.48Å; W674-F681 HydrophobicContact CH2-CB 4.49Å; W674-F681 HydrophobicContact CH2-CD1 4.03Å; W674-F681 HydrophobicContact CZ2-CD1 4.5Å; W674-F681 HydrophobicContact CZ3-CB 4.22Å; W674-F681 HydrophobicContact CZ3-CD1 4.15Å; F681-T683 HydrophobicContact CD2-CG2 4.19Å; F681-T683 HydrophobicContact CE2-CG2 4.12Å; F681-V692 CarbonylContact O-C 3.56Å; F681-V692 WeakPolarHBondContact O-CA 3.47Å; F681-W693 HydrophobicContact CD1-CB 4.13Å; F681-W693 HydrophobicContact CD2-CB 3.98Å; F681-W693 AromaticContact CD2-CD1 3.62Å; F681-W693 HydrophobicContact CD2-CG 4.02Å; F681-W693 HydrophobicContact CE1-CB 3.68Å; F681-W693 HydrophobicContact CE1-CG 4.44Å; F681-W693 HydrophobicContact CE2-CB 3.52Å; F681-W693 AromaticContact CE2-CD1 3.3Å; F681-W693 HydrophobicContact CE2-CD2 4.21Å; F681-W693 AromaticContact CE2-CG 3.4Å; F681-W693 HydrophobicContact CE2-CG 3.4Å; F681-W693 HydrophobicContact CG-CB 4.27Å; F681-W693 HydrophobicContact CZ-CB 3.35Å; F681-W693 HydrophobicContact CZ-CD2 4.37Å; F681-W693 AromaticContact CZ-CG 3.65Å; F681-W693 HydrophobicContact CZ-CG 3.65Å; F681-W693 PolarHBondContact N-O 3.1Å; F681-W693 VanDerWaalsContact N-O 3.11Å; F681-W693 PolarHBondContact O-N 3.2Å; F681-I710 HydrophobicContact CE1-CD1 4.26Å; F681-I710 HydrophobicContact CE1-CG2 3.99Å; F681-I710 HydrophobicContact CZ-CG2 4.15Å |
| 682 | V | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 144.8 | 179.7 | 63.4 | 0 | 0 | 0 | 0 | 110.3 | C672 D673 V690 I691 V692 V726 F728 L740 | C672-V682 WeakPolarHBondContact CA-O 3.38Å; C672-V682 VanDerWaalsContact CB-O 3.27Å; C672-V682 WeakPolarHBondContact CB-O 3.39Å; D673-V682 HydrophobicContact CB-CG1 4.08Å; D673-V682 PolarHBondContact N-O 3.11Å; D673-V682 PolarHBondContact O-N 2.8Å; V682-V690 HydrophobicContact CG2-CG1 3.47Å; V682-V690 VanDerWaalsContact CG2-CG1 3.47Å; V682-I691 CarbonylContact C-O 3.53Å; V682-I691 WeakPolarHBondContact CA-O 3.45Å; V682-V692 HydrophobicContact CB-CG2 4.38Å; V682-V692 HydrophobicContact CG2-CG2 4.25Å; V682-V726 HydrophobicContact CG1-CB 4.21Å; V682-V726 HydrophobicContact CG1-CG2 3.85Å; V682-F728 HydrophobicContact CB-CD2 4.33Å; V682-F728 HydrophobicContact CB-CE2 3.54Å; V682-F728 HydrophobicContact CB-CZ 4Å; V682-F728 HydrophobicContact CG1-CD2 3.72Å; V682-F728 HydrophobicContact CG1-CE2 3.44Å; V682-F728 VanDerWaalsContact CG1-CE2 3.44Å; V682-F728 HydrophobicContact CG1-CZ 4.23Å; V682-L740 HydrophobicContact CG1-CD1 3.93Å; V682-L740 HydrophobicContact CG2-CD1 4.36Å; V682-L740 HydrophobicContact CG2-CD2 4.09Å |
| 683 | T | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 145.2 | 169.1 | 59.4 | 0 | 0 | 0 | 0 | 110.4 | V629 W635 H665 I669 C672 F681 V690 I691 W693 | V629-T683 HydrophobicContact CG1-CG2 4.07Å; W635-T683 HydrophobicContact CG-CG2 4.5Å; H665-T683 PolarHBondContact NE2-OG1 3.04Å; I669-T683 HydrophobicContact CG2-CG2 4.42Å; C672-T683 HydrophobicContact CB-CG2 4.42Å; F681-T683 HydrophobicContact CD2-CG2 4.19Å; F681-T683 HydrophobicContact CE2-CG2 4.12Å; T683-V690 WeakPolarHBondContact O-CA 3.22Å; T683-I691 PolarHBondContact N-O 2.81Å; T683-I691 PolarHBondContact O-N 3.3Å; T683-W693 PolarHBondContact OG1-NE1 3.04Å |
| 684 | S | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 143.6 | 176.4 | 57.6 | 0 | 0 | 0 | 0 | 111.1 | I669 W670 S671 V726 | I669-S684 CarbonylContact C-O 3.59Å; I669-S684 WeakPolarHBondContact CA-O 3.25Å; I669-S684 VanDerWaalsContact CG2-O 3.27Å; I669-S684 WeakPolarHBondContact CG2-O 3.28Å; W670-S684 PolarHBondContact N-O 2.89Å; S671-S684 WeakPolarHBondContact CB-OG 3.48Å; S671-S684 PolarHBondContact N-O 3.22Å; S671-S684 PolarHBondContact O-N 2.91Å; S671-S684 PolarHBondContact O-OG 3.2Å; S684-V726 VanDerWaalsContact CB-CG1 3.41Å; S684-V726 WeakPolarHBondContact OG-CG2 3.44Å |
| 685 | S | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 157.2 | -165.3 | 166.3 | 0 | 0 | 0 | 0 | 112.9 | H665 R667 I668 D687 K688 K689 A723 | H665-S685 WeakPolarHBondContact ND1-CB 3.33Å; R667-S685 PolarHBondContact O-OG 2.85Å; I668-S685 VanDerWaalsContact O-CA 3.29Å; I668-S685 WeakPolarHBondContact O-CA 3.47Å; I668-S685 WeakPolarHBondContact O-CB 3.35Å; I668-S685 PolarHBondContact O-OG 2.75Å; I668-S685 VanDerWaalsContact O-OG 3.05Å; S685-D687 WeakPolarHBondContact CB-OD1 3.04Å; S685-D687 PolarHBondContact O-N 3.07Å; S685-D687 VanDerWaalsContact O-N 3.12Å; S685-D687 PolarHBondContact OG-N 3.37Å; S685-D687 PolarHBondContact OG-OD1 2.96Å; S685-D687 PolarHBondContact OG-OD2 3.31Å; S685-K688 PolarHBondContact O-N 3.38Å; S685-K689 PolarHBondContact N-O 3Å; S685-A723 PolarHBondContact N-O 3.27Å; S685-A723 PolarHBondContact O-N 2.85Å |
| 686 | R | 98.4 | Very high | 95 | Very high | 135 Ų | 135 | 27.4 Ų | 27.4 | 51% | 0.509 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -18.5 | 172.3 | -173.5 | 172.9 | 178.2 | -176.7 | 2 | 113.4 | R667 I668 K688 S722 | R667-R686 HydrophobicContact CB-CB 3.83Å; R667-R686 HydrophobicContact CB-CG 4.37Å; I668-R686 HydrophobicContact CB-CB 4.41Å; I668-R686 PolarHBondContact O-N 2.89Å; R686-K688 PolarHBondContact O-N 2.96Å; R686-S722 WeakPolarHBondContact CA-OG 3.44Å |
| 687 | D | 97.8 | Very high | 93.9 | Very high | 19 Ų | 19 | 28.1 Ų | 28.1 | 10% | 0.102 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 11.3 | 174.5 | 67.8 | 2.6 | 0 | 0 | 0 | 114 | H665 S666 R667 S685 K689 | H665-D687 VanDerWaalsContact CA-OD2 3.23Å; H665-D687 WeakPolarHBondContact CA-OD2 3.4Å; H665-D687 IonicContact CG-OD2 2.7Å; H665-D687 IonicContact ND1-OD1 3.98Å; H665-D687 PolarHBondContact ND1-OD1 3Å; H665-D687 IonicContact ND1-OD2 3.76Å; H665-D687 PolarHBondContact ND1-OD2 3.23Å; S666-D687 PolarHBondContact N-OD2 3.29Å; S666-D687 WeakPolarHBondContact OG-CB 3.25Å; S666-D687 PolarHBondContact OG-OD2 2.8Å; R667-D687 HydrophobicContact CB-CB 3.94Å; R667-D687 HydrophobicContact CG-CB 3.86Å; S685-D687 WeakPolarHBondContact CB-OD1 3.04Å; S685-D687 PolarHBondContact O-N 3.07Å; S685-D687 VanDerWaalsContact O-N 3.12Å; S685-D687 PolarHBondContact OG-N 3.37Å; S685-D687 PolarHBondContact OG-OD1 2.96Å; S685-D687 PolarHBondContact OG-OD2 3.31Å; D687-K689 PolarHBondContact O-N 3.34Å; D687-K689 WeakPolarHBondContact OD1-CB 3.44Å; D687-K689 PolarHBondContact OD1-N 3.01Å; D687-K689 VanDerWaalsContact OD1-N 3.12Å |
| 688 | K | 98 | Very high | 92.2 | Very high | 88 Ų | 88 | 27.5 Ų | 27.5 | 38% | 0.383 | 14% | 0.135 | S | C | . | . | S | Bend | trans | 72.6 | 5.8 | 177.8 | -42 | 178.3 | 168.8 | -160.2 | 0 | 114.4 | S685 R686 D718 V719 G720 D721 | S685-K688 PolarHBondContact O-N 3.38Å; R686-K688 PolarHBondContact O-N 2.96Å; K688-D718 WeakPolarHBondContact O-CA 3.31Å; K688-V719 WeakPolarHBondContact O-CG2 3.1Å; K688-V719 PolarHBondContact O-N 3.49Å; K688-G720 WeakPolarHBondContact CD-O 3.22Å; K688-G720 WeakPolarHBondContact CE-O 3.4Å; K688-G720 PolarHBondContact NZ-O 2.77Å; K688-D721 VanDerWaalsContact CA-O 3.29Å; K688-D721 WeakPolarHBondContact CA-O 3.41Å; K688-D721 WeakPolarHBondContact CB-O 3.29Å |
| 689 | K | 97.4 | Very high | 90 | Very high | 63 Ų | 63 | 34.7 Ų | 34.7 | 27% | 0.274 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 142.1 | -176.9 | -61.5 | 173.8 | 176.2 | -174.4 | 0 | 111.7 | H665 S685 D687 I716 L717 | H665-K689 PolarHBondContact CE1-O 2.8Å; S685-K689 PolarHBondContact N-O 3Å; D687-K689 PolarHBondContact O-N 3.34Å; D687-K689 WeakPolarHBondContact OD1-CB 3.44Å; D687-K689 PolarHBondContact OD1-N 3.01Å; D687-K689 VanDerWaalsContact OD1-N 3.12Å; K689-I716 HydrophobicContact CB-CG2 3.96Å; K689-I716 HydrophobicContact CD-CG2 3.7Å; K689-I716 HydrophobicContact CG-CG2 3.76Å; K689-L717 CarbonylContact C-O 3.57Å; K689-L717 VanDerWaalsContact CA-O 3.31Å; K689-L717 WeakPolarHBondContact CA-O 3.47Å |
| 690 | V | 97.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 131.6 | 168.6 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | V682 T683 L717 V719 A723 V726 L740 V742 | V682-V690 HydrophobicContact CG2-CG1 3.47Å; V682-V690 VanDerWaalsContact CG2-CG1 3.47Å; T683-V690 WeakPolarHBondContact O-CA 3.22Å; V690-L717 HydrophobicContact CB-CB 4.24Å; V690-L717 HydrophobicContact CB-CD2 4.32Å; V690-L717 PolarHBondContact N-O 3.1Å; V690-L717 PolarHBondContact O-N 3.02Å; V690-V719 HydrophobicContact CG2-CG1 4.14Å; V690-A723 HydrophobicContact CG2-CB 3.9Å; V690-V726 HydrophobicContact CG1-CG1 4.42Å; V690-V726 HydrophobicContact CG2-CG1 4.49Å; V690-L740 HydrophobicContact CG1-CD2 3.89Å; V690-V742 HydrophobicContact CG2-CG1 3.91Å; V690-V742 HydrophobicContact CG2-CG2 4.29Å |
| 691 | I | 96.6 | Very high | 85.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 132.5 | -173.4 | -54 | 178.6 | 0 | 0 | 0 | 109.4 | T664 V682 T683 W693 P712 I716 | T664-I691 HydrophobicContact CG2-CD1 3.57Å; V682-I691 CarbonylContact C-O 3.53Å; V682-I691 WeakPolarHBondContact CA-O 3.45Å; T683-I691 PolarHBondContact N-O 2.81Å; T683-I691 PolarHBondContact O-N 3.3Å; I691-W693 HydrophobicContact CB-CZ2 4.24Å; I691-W693 HydrophobicContact CD1-CZ2 4.27Å; I691-W693 HydrophobicContact CG2-CD2 4.21Å; I691-W693 HydrophobicContact CG2-CZ2 3.9Å; I691-W693 PolarHBondContact O-NE1 3.41Å; I691-P712 HydrophobicContact CG2-CB 3.86Å; I691-P712 HydrophobicContact CG2-CG 4.3Å; I691-I716 HydrophobicContact CD1-CG1 4.37Å; I691-I716 HydrophobicContact CG1-CG1 4.42Å; I691-I716 HydrophobicContact CG1-CG2 4.45Å |
| 692 | V | 96.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 137.2 | 170.9 | -172.1 | 0 | 0 | 0 | 0 | 109.9 | Y680 F681 V682 P712 C713 S714 F728 W754 W766 | Y680-V692 HydrophobicContact CG-CG1 4.36Å; F681-V692 CarbonylContact O-C 3.56Å; F681-V692 WeakPolarHBondContact O-CA 3.47Å; V682-V692 HydrophobicContact CB-CG2 4.38Å; V682-V692 HydrophobicContact CG2-CG2 4.25Å; V692-P712 WeakPolarHBondContact O-CA 3.28Å; V692-C713 PolarHBondContact O-N 3.37Å; V692-C713 PolarHBondContact O-SG 3.33Å; V692-S714 PolarHBondContact N-OG 2.96Å; V692-S714 PolarHBondContact O-N 2.89Å; V692-F728 HydrophobicContact CG1-CZ 4.35Å; V692-F728 HydrophobicContact CG2-CZ 4.22Å; V692-W754 HydrophobicContact CB-CH2 4.25Å; V692-W754 HydrophobicContact CB-CZ2 4.21Å; V692-W754 HydrophobicContact CB-CZ3 4.5Å; V692-W754 HydrophobicContact CG1-CE3 4.21Å; V692-W754 HydrophobicContact CG1-CH2 3.53Å; V692-W754 HydrophobicContact CG1-CZ2 3.99Å; V692-W754 HydrophobicContact CG1-CZ3 3.67Å; V692-W754 HydrophobicContact CG2-CD2 4.3Å; V692-W754 HydrophobicContact CG2-CE3 4.38Å; V692-W766 HydrophobicContact CG2-CH2 3.55Å; V692-W766 HydrophobicContact CG2-CZ2 3.71Å |
| 693 | W | 94.5 | Very high | 80.3 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 2% | 0.019 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 144.3 | -173.8 | -52.2 | 82.3 | 0 | 0 | 0 | 110.6 | W635 T658 T664 Y680 F681 T683 I691 I710 K711 P712 | W635-W693 AromaticContact CD1-CZ2 3.97Å; W635-W693 HydrophobicContact CZ2-CD2 4.13Å; W635-W693 AromaticContact CZ2-CE3 3.69Å; W635-W693 HydrophobicContact CZ2-CE3 3.69Å; W635-W693 AromaticContact CZ2-CZ3 3.92Å; W635-W693 HydrophobicContact CZ2-CZ3 3.92Å; W635-W693 AromaticContact NE1-CD2 3.7Å; W635-W693 AromaticContact NE1-CE2 3.44Å; W635-W693 AromaticContact NE1-CE3 3.78Å; W635-W693 AromaticContact NE1-CH2 3.38Å; W635-W693 AromaticContact NE1-CZ2 3.3Å; W635-W693 VanDerWaalsContact NE1-CZ2 3.3Å; W635-W693 AromaticContact NE1-CZ3 3.63Å; T658-W693 HydrophobicContact CG2-CH2 4.17Å; T658-W693 HydrophobicContact CG2-CZ3 4.31Å; T664-W693 WeakPolarHBondContact OG1-CH2 3.49Å; Y680-W693 VanDerWaalsContact CA-O 3.29Å; Y680-W693 WeakPolarHBondContact CA-O 3.49Å; Y680-W693 WeakPolarHBondContact CB-O 3.45Å; F681-W693 HydrophobicContact CD1-CB 4.13Å; F681-W693 HydrophobicContact CD2-CB 3.98Å; F681-W693 AromaticContact CD2-CD1 3.62Å; F681-W693 HydrophobicContact CD2-CG 4.02Å; F681-W693 HydrophobicContact CE1-CB 3.68Å; F681-W693 HydrophobicContact CE1-CG 4.44Å; F681-W693 HydrophobicContact CE2-CB 3.52Å; F681-W693 AromaticContact CE2-CD1 3.3Å; F681-W693 HydrophobicContact CE2-CD2 4.21Å; F681-W693 AromaticContact CE2-CG 3.4Å; F681-W693 HydrophobicContact CE2-CG 3.4Å; F681-W693 HydrophobicContact CG-CB 4.27Å; F681-W693 HydrophobicContact CZ-CB 3.35Å; F681-W693 HydrophobicContact CZ-CD2 4.37Å; F681-W693 AromaticContact CZ-CG 3.65Å; F681-W693 HydrophobicContact CZ-CG 3.65Å; F681-W693 PolarHBondContact N-O 3.1Å; F681-W693 VanDerWaalsContact N-O 3.11Å; F681-W693 PolarHBondContact O-N 3.2Å; T683-W693 PolarHBondContact OG1-NE1 3.04Å; I691-W693 HydrophobicContact CB-CZ2 4.24Å; I691-W693 HydrophobicContact CD1-CZ2 4.27Å; I691-W693 HydrophobicContact CG2-CD2 4.21Å; I691-W693 HydrophobicContact CG2-CZ2 3.9Å; I691-W693 PolarHBondContact O-NE1 3.41Å; W693-I710 HydrophobicContact CB-CG2 3.92Å; W693-K711 WeakPolarHBondContact CA-O 3.49Å; W693-P712 HydrophobicContact CE3-CG 3.98Å; W693-P712 HydrophobicContact CH2-CG 4.13Å; W693-P712 HydrophobicContact CZ3-CG 3.67Å |
| 694 | G | 89.6 | Confident | 77.9 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 9% | 0.093 | 32% | 0.315 | C | S | . | . | trans | 141.6 | -163.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K711 | G694-K711 PolarHBondContact N-O 3.01Å; G694-K711 VanDerWaalsContact N-O 3.15Å | ||
| 695 | P | 86.7 | Confident | 75.6 | Confident | 58 Ų | 58 | 62.2 Ų | 62.2 | 38% | 0.377 | 35% | 0.347 | S | S | . | . | cis | -69.2 | 143.7 | -2.5 | 28.7 | -34.5 | 0 | 0 | 0 | 112.7 | K679 Y680 | K679-P695 CarbonylContact O-C 3.56Å; K679-P695 WeakPolarHBondContact O-CA 3.48Å; Y680-P695 HydrophobicContact CE1-CB 4.04Å | ||
| 696 | C | 82.8 | Confident | 73.4 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -82.9 | -17.2 | 178.5 | -59.8 | 0 | 0 | 0 | 0 | 113.2 | W674 K679 F706 | W674-C696 HydrophobicContact CZ3-CB 4.35Å; K679-C696 PolarHBondContact O-N 2.94Å; C696-F706 WeakPolarHBondContact O-CE2 3.42Å |
| 697 | V | 71 | Confident | 71.6 | Confident | 56 Ų | 56 | 59.6 Ų | 59.6 | 34% | 0.339 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -130 | 122.1 | 175.7 | -175.7 | 0 | 0 | 0 | 0 | 107.5 | F625 | F625-V697 HydrophobicContact CE2-CG2 4.01Å; F625-V697 HydrophobicContact CZ-CG2 4.38Å |
| 698 | P | 57.2 | Low | 69.6 | Low | 47 Ų | 47 | 65.1 Ų | 65.1 | 31% | 0.305 | 38% | 0.383 | S | S | . | . | trans | -64.5 | 143.7 | 177.1 | -16.1 | 28.7 | 0 | 0 | 0 | 111.4 | G700 A705 | P698-G700 PolarHBondContact O-N 3.2Å; P698-A705 WeakPolarHBondContact CG-O 3.43Å | ||
| 699 | E | 47.4 | Very low | 68.5 | Low | 158 Ų | 158 | 66.4 Ų | 66.4 | 74% | 0.738 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 123.5 | 172.2 | -65.2 | -164.3 | 151.6 | 0 | 0 | 110.2 | K679 | K679-E699 IonicContact NZ-OE1 3.72Å; K679-E699 PolarHBondContact NZ-OE1 2.74Å |
| 700 | G | 47.7 | Very low | 68 | Low | 85 Ų | 85 | 64.1 Ų | 64.1 | 88% | 0.876 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.9 | 14.8 | 163 | 0 | 0 | 0 | 0 | 0 | 119.3 | P698 | P698-G700 PolarHBondContact O-N 3.2Š|
| 701 | S | 40 | Very low | 67.4 | Low | 58 Ų | 58 | 69.5 Ų | 69.5 | 41% | 0.406 | 41% | 0.405 | S | S | . | . | trans | -109.7 | 120.1 | 176.6 | 63.6 | 0 | 0 | 0 | 0 | 113 | E703 | S701-E703 WeakPolarHBondContact CB-O 3.2Å; S701-E703 PolarHBondContact O-N 3.28Å; S701-E703 PolarHBondContact OG-O 2.92Å | ||
| 702 | E | 42.9 | Very low | 67.1 | Low | 206 Ų | 206 | 72.3 Ų | 72.3 | 96% | 0.963 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -67.6 | -17.7 | 172.6 | -68 | -172.3 | 159.1 | 0 | 0 | 112.9 | ||
| 703 | E | 48.9 | Very low | 66.7 | Low | 173 Ų | 173 | 74.2 Ų | 74.2 | 81% | 0.808 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -121.9 | 116.8 | 165.6 | -68.9 | -159.5 | 165.4 | 0 | 0 | 110.8 | S701 A705 | S701-E703 WeakPolarHBondContact CB-O 3.2Å; S701-E703 PolarHBondContact O-N 3.28Å; S701-E703 PolarHBondContact OG-O 2.92Å; E703-A705 PolarHBondContact O-N 3.1Å |
| 704 | P | 47.4 | Very low | 66.5 | Low | 65 Ų | 65 | 74.6 Ų | 74.6 | 42% | 0.422 | 44% | 0.439 | S | S | . | . | trans | -84.2 | 91.7 | -169 | 32.6 | -34.1 | 0 | 0 | 0 | 111 | F706 | P704-F706 PolarHBondContact O-N 2.95Å; P704-F706 VanDerWaalsContact O-N 3.09Å | ||
| 705 | A | 50.9 | Low | 66.5 | Low | 81 Ų | 81 | 76 Ų | 76 | 67% | 0.669 | 45% | 0.447 | S | S | * | . | trans | -62 | 108.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | P698 E703 | P698-A705 WeakPolarHBondContact CG-O 3.43Å; E703-A705 PolarHBondContact O-N 3.1Å | ||
| 706 | F | 52.6 | Low | 66.8 | Low | 43 Ų | 43 | 77.3 Ų | 77.3 | 19% | 0.189 | 45% | 0.45 | C | S | . | . | trans | -59.6 | 136.1 | 175.3 | -160 | -103.6 | 0 | 0 | 0 | 108.2 | F625 L637 C655 A656 C696 P704 S708 I710 | F625-F706 HydrophobicContact CD1-CE2 4.41Å; F625-F706 HydrophobicContact CE1-CD2 4.22Å; F625-F706 AromaticContact CE1-CE2 3.32Å; F625-F706 HydrophobicContact CE1-CE2 3.32Å; F625-F706 AromaticContact CE1-CZ 3.93Å; F625-F706 HydrophobicContact CE1-CZ 3.93Å; F625-F706 HydrophobicContact CZ-CD2 4.31Å; F625-F706 AromaticContact CZ-CE2 3.56Å; F625-F706 HydrophobicContact CZ-CE2 3.56Å; F625-F706 HydrophobicContact CZ-CZ 4.48Å; L637-F706 HydrophobicContact CD2-CZ 3.89Å; C655-F706 HydrophobicContact CB-CD1 4.08Å; C655-F706 HydrophobicContact CB-CE1 3.82Å; C655-F706 HydrophobicContact CB-CZ 4.13Å; C655-F706 WeakPolarHBondContact SG-CZ 3.25Å; A656-F706 HydrophobicContact CB-CE1 4.08Å; C696-F706 WeakPolarHBondContact O-CE2 3.42Å; P704-F706 PolarHBondContact O-N 2.95Å; P704-F706 VanDerWaalsContact O-N 3.09Å; F706-S708 PolarHBondContact O-N 3.44Å; F706-I710 HydrophobicContact CE1-CD1 4.04Å; F706-I710 HydrophobicContact CE1-CG1 4.34Å; F706-I710 HydrophobicContact CZ-CD1 3.93Å | ||
| 707 | P | 58.9 | Low | 67.4 | Low | 38 Ų | 38 | 78.1 Ų | 78.1 | 25% | 0.247 | 46% | 0.455 | C | S | . | . | trans | -55 | 133.5 | 178 | 20.6 | -29.4 | 0 | 0 | 0 | 108.9 | E709 | P707-E709 PolarHBondContact O-N 3Å; P707-E709 VanDerWaalsContact O-N 3.09Å | ||
| 708 | S | 57.8 | Low | 68.5 | Low | 135 Ų | 135 | 80.2 Ų | 80.2 | 94% | 0.944 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -61.6 | -19.7 | -175.5 | 47.2 | 0 | 0 | 0 | 0 | 112.9 | F706 | F706-S708 PolarHBondContact O-N 3.44Š|
| 709 | E | 74.5 | Confident | 70.4 | Confident | 115 Ų | 115 | 78.6 Ų | 78.6 | 54% | 0.537 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -151.4 | 127.4 | 177.6 | -163.6 | 179.8 | 180 | 0 | 0 | 110.5 | P707 K711 | P707-E709 PolarHBondContact O-N 3Å; P707-E709 VanDerWaalsContact O-N 3.09Å; E709-K711 HydrophobicContact CG-CG 4.29Å; E709-K711 WeakPolarHBondContact OE2-CE 3.48Å; E709-K711 IonicContact OE2-NZ 3.58Å; E709-K711 PolarHBondContact OE2-NZ 3.45Å |
| 710 | I | 85.5 | Confident | 72.7 | Confident | 14 Ų | 14 | 73.3 Ų | 73.3 | 7% | 0.072 | 44% | 0.442 | C | S | . | . | trans | -86.4 | 124.4 | 170.6 | -64.4 | -177.4 | 0 | 0 | 0 | 108.4 | W635 L637 A656 F681 W693 F706 | W635-I710 HydrophobicContact CH2-CB 3.99Å; W635-I710 HydrophobicContact CH2-CG2 4.07Å; W635-I710 HydrophobicContact CZ2-CG2 4.35Å; L637-I710 HydrophobicContact CD2-CD1 3.29Å; A656-I710 HydrophobicContact CB-CB 4.38Å; A656-I710 HydrophobicContact CB-CD1 3.57Å; A656-I710 HydrophobicContact CB-CG1 3.88Å; F681-I710 HydrophobicContact CE1-CD1 4.26Å; F681-I710 HydrophobicContact CE1-CG2 3.99Å; F681-I710 HydrophobicContact CZ-CG2 4.15Å; W693-I710 HydrophobicContact CB-CG2 3.92Å; F706-I710 HydrophobicContact CE1-CD1 4.04Å; F706-I710 HydrophobicContact CE1-CG1 4.34Å; F706-I710 HydrophobicContact CZ-CD1 3.93Å | ||
| 711 | K | 86.8 | Confident | 75.1 | Confident | 113 Ų | 113 | 71.5 Ų | 71.5 | 49% | 0.491 | 41% | 0.412 | S | S | . | . | trans | -115.5 | 159.4 | -176.8 | -65.6 | -175.1 | 179.9 | -177.5 | 0 | 111.8 | W693 G694 E709 C713 | W693-K711 WeakPolarHBondContact CA-O 3.49Å; G694-K711 PolarHBondContact N-O 3.01Å; G694-K711 VanDerWaalsContact N-O 3.15Å; E709-K711 HydrophobicContact CG-CG 4.29Å; E709-K711 WeakPolarHBondContact OE2-CE 3.48Å; E709-K711 IonicContact OE2-NZ 3.58Å; E709-K711 PolarHBondContact OE2-NZ 3.45Å; K711-C713 PolarHBondContact O-N 2.65Å | ||
| 712 | P | 89.3 | Confident | 77.9 | Confident | 59 Ų | 59 | 69.2 Ų | 69.2 | 38% | 0.383 | 40% | 0.396 | S | S | . | . | B | Isolated β-bridge | trans | -55.5 | 125.8 | 163.9 | -22.2 | 33.8 | 0 | 0 | 0 | 109.5 | I691 V692 W693 | I691-P712 HydrophobicContact CG2-CB 3.86Å; I691-P712 HydrophobicContact CG2-CG 4.3Å; V692-P712 WeakPolarHBondContact O-CA 3.28Å; W693-P712 HydrophobicContact CE3-CG 3.98Å; W693-P712 HydrophobicContact CH2-CG 4.13Å; W693-P712 HydrophobicContact CZ3-CG 3.67Å |
| 713 | C | 88.7 | Confident | 80.6 | Confident | 40 Ų | 40 | 59.4 Ų | 59.4 | 27% | 0.27 | 35% | 0.35 | S | S | . | . | trans | -110.3 | -6.8 | 176.5 | 63.2 | 0 | 0 | 0 | 0 | 112.9 | Y680 V692 K711 | Y680-C713 VanDerWaalsContact CD1-SG 3.55Å; V692-C713 PolarHBondContact O-N 3.37Å; V692-C713 PolarHBondContact O-SG 3.33Å; K711-C713 PolarHBondContact O-N 2.65Å | ||
| 714 | S | 89.1 | Confident | 82.9 | Confident | 13 Ų | 13 | 51.9 Ų | 51.9 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -102.9 | 160.8 | 168.2 | 72.3 | 0 | 0 | 0 | 0 | 112.5 | V692 D765 | V692-S714 PolarHBondContact N-OG 2.96Å; V692-S714 PolarHBondContact O-N 2.89Å; S714-D765 WeakPolarHBondContact CA-OD2 3.46Å; S714-D765 WeakPolarHBondContact CB-OD2 3.42Å |
| 715 | S | 90.5 | Very high | 85.4 | Confident | 38 Ų | 38 | 48.8 Ų | 48.8 | 27% | 0.266 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 149.9 | 158 | 69.9 | 0 | 0 | 0 | 0 | 109.8 | L717 S764 D765 W766 | S715-L717 PolarHBondContact O-N 2.84Å; S715-S764 PolarHBondContact OG-OG 2.58Å; S715-D765 VanDerWaalsContact CB-OD1 3.25Å; S715-D765 WeakPolarHBondContact CB-OD1 3.23Å; S715-D765 PolarHBondContact N-OD1 3.24Å; S715-D765 PolarHBondContact N-OD2 3.42Å; S715-D765 PolarHBondContact OG-OD1 2.84Å; S715-W766 PolarHBondContact O-NE1 3.09Å; S715-W766 VanDerWaalsContact OG-CD1 3.25Å |
| 716 | I | 92.4 | Very high | 87.6 | Confident | 86 Ų | 86 | 45 Ų | 45 | 44% | 0.441 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 117.5 | 179.7 | -62.8 | 176.4 | 0 | 0 | 0 | 108.3 | T664 K689 I691 | T664-I716 HydrophobicContact CG2-CD1 4.21Å; K689-I716 HydrophobicContact CB-CG2 3.96Å; K689-I716 HydrophobicContact CD-CG2 3.7Å; K689-I716 HydrophobicContact CG-CG2 3.76Å; I691-I716 HydrophobicContact CD1-CG1 4.37Å; I691-I716 HydrophobicContact CG1-CG1 4.42Å; I691-I716 HydrophobicContact CG1-CG2 4.45Å |
| 717 | L | 94.9 | Very high | 89.8 | Confident | 17 Ų | 17 | 42.9 Ų | 42.9 | 9% | 0.089 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 112.4 | 178.1 | -179.1 | 65.4 | 0 | 0 | 0 | 110.2 | K689 V690 S715 V719 Y752 W766 | K689-L717 CarbonylContact C-O 3.57Å; K689-L717 VanDerWaalsContact CA-O 3.31Å; K689-L717 WeakPolarHBondContact CA-O 3.47Å; V690-L717 HydrophobicContact CB-CB 4.24Å; V690-L717 HydrophobicContact CB-CD2 4.32Å; V690-L717 PolarHBondContact N-O 3.1Å; V690-L717 PolarHBondContact O-N 3.02Å; S715-L717 PolarHBondContact O-N 2.84Å; L717-V719 HydrophobicContact CD2-CG1 3.87Å; L717-V719 HydrophobicContact CG-CG1 3.8Å; L717-Y752 HydrophobicContact CD1-CD1 4.3Å; L717-Y752 HydrophobicContact CD1-CE1 3.91Å; L717-Y752 HydrophobicContact CD2-CD1 4.02Å; L717-Y752 HydrophobicContact CD2-CD2 3.82Å; L717-Y752 HydrophobicContact CD2-CE1 4.1Å; L717-Y752 HydrophobicContact CD2-CE2 3.89Å; L717-Y752 HydrophobicContact CD2-CG 3.88Å; L717-W766 HydrophobicContact CB-CD2 4.25Å; L717-W766 HydrophobicContact CB-CG 4.32Å; L717-W766 HydrophobicContact CB-CZ2 4.27Å; L717-W766 HydrophobicContact CD1-CB 4.18Å; L717-W766 HydrophobicContact CD1-CD2 4.41Å; L717-W766 HydrophobicContact CD1-CG 3.98Å; L717-W766 HydrophobicContact CD2-CD2 3.89Å; L717-W766 HydrophobicContact CD2-CE3 4Å; L717-W766 HydrophobicContact CD2-CG 4.32Å; L717-W766 HydrophobicContact CD2-CH2 4.47Å; L717-W766 HydrophobicContact CD2-CZ2 4.4Å; L717-W766 HydrophobicContact CD2-CZ3 4.27Å; L717-W766 HydrophobicContact CG-CD2 4.42Å; L717-W766 HydrophobicContact CG-CG 4.44Å |
| 718 | D | 95.8 | Very high | 91.7 | Very high | 100 Ų | 100 | 41.5 Ų | 41.5 | 54% | 0.535 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 118.5 | 167.6 | -170 | -27.7 | 0 | 0 | 0 | 109.2 | K688 G720 | K688-D718 WeakPolarHBondContact O-CA 3.31Å; D718-G720 PolarHBondContact OD1-N 2.91Å |
| 719 | V | 96.5 | Very high | 93.5 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | trans | -98.7 | 10.2 | -176.9 | -61.6 | 0 | 0 | 0 | 0 | 113.3 | K688 V690 L717 D721 A723 V742 L744 L750 Y752 | K688-V719 WeakPolarHBondContact O-CG2 3.1Å; K688-V719 PolarHBondContact O-N 3.49Å; V690-V719 HydrophobicContact CG2-CG1 4.14Å; L717-V719 HydrophobicContact CD2-CG1 3.87Å; L717-V719 HydrophobicContact CG-CG1 3.8Å; V719-D721 WeakPolarHBondContact CG2-O 3.45Å; V719-D721 PolarHBondContact O-N 2.9Å; V719-D721 VanDerWaalsContact O-N 3.11Å; V719-A723 HydrophobicContact CG2-CB 3.92Å; V719-V742 HydrophobicContact CG1-CG1 4.31Å; V719-V742 HydrophobicContact CG2-CG1 4.33Å; V719-L744 HydrophobicContact CB-CD2 4.1Å; V719-L744 HydrophobicContact CG2-CD2 3.48Å; V719-L744 VanDerWaalsContact CG2-CD2 3.48Å; V719-L750 HydrophobicContact CB-CD1 4.19Å; V719-Y752 HydrophobicContact CG1-CE2 3.98Å | ||
| 720 | G | 96.6 | Very high | 94.4 | Very high | 48 Ų | 48 | 32.2 Ų | 32.2 | 50% | 0.495 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 81.9 | -23.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | K688 D718 | K688-G720 WeakPolarHBondContact CD-O 3.22Å; K688-G720 WeakPolarHBondContact CE-O 3.4Å; K688-G720 PolarHBondContact NZ-O 2.77Å; D718-G720 PolarHBondContact OD1-N 2.91Å |
| 721 | D | 97.8 | Very high | 94.7 | Very high | 46 Ų | 46 | 32.9 Ų | 32.9 | 25% | 0.246 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -138.3 | 168 | 175.8 | -164.6 | 17.9 | 0 | 0 | 0 | 111.9 | K688 V719 A723 L744 C746 | K688-D721 VanDerWaalsContact CA-O 3.29Å; K688-D721 WeakPolarHBondContact CA-O 3.41Å; K688-D721 WeakPolarHBondContact CB-O 3.29Å; V719-D721 WeakPolarHBondContact CG2-O 3.45Å; V719-D721 PolarHBondContact O-N 2.9Å; V719-D721 VanDerWaalsContact O-N 3.11Å; D721-A723 PolarHBondContact O-N 3.27Å; D721-A723 VanDerWaalsContact O-N 3.15Å; D721-L744 HydrophobicContact CB-CB 4.4Å; D721-L744 HydrophobicContact CB-CD1 4.2Å; D721-C746 VanDerWaalsContact OD2-CB 3.27Å; D721-C746 WeakPolarHBondContact OD2-CB 3.22Å; D721-C746 PolarHBondContact OD2-N 2.84Å |
| 722 | S | 98.3 | Very high | 94.8 | Very high | 10 Ų | 10 | 30.8 Ų | 30.8 | 7% | 0.07 | 19% | 0.191 | C | C | . | . | trans | -57 | 118.5 | 178.9 | 166.8 | 0 | 0 | 0 | 0 | 110.3 | R686 T724 L744 E745 | R686-S722 WeakPolarHBondContact CA-OG 3.44Å; S722-T724 PolarHBondContact O-N 2.85Å; S722-L744 CarbonylContact O-C 3.55Å; S722-L744 WeakPolarHBondContact O-CA 3.42Å; S722-E745 PolarHBondContact O-N 3.03Å | ||
| 723 | A | 98.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 106.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | S685 V690 V719 D721 V742 L744 | S685-A723 PolarHBondContact N-O 3.27Å; S685-A723 PolarHBondContact O-N 2.85Å; V690-A723 HydrophobicContact CG2-CB 3.9Å; V719-A723 HydrophobicContact CG2-CB 3.92Å; D721-A723 PolarHBondContact O-N 3.27Å; D721-A723 VanDerWaalsContact O-N 3.15Å; A723-V742 HydrophobicContact CB-CG1 3.93Å; A723-L744 HydrophobicContact CB-CD2 4.44Å |
| 724 | T | 98.7 | Very high | 94.5 | Very high | 15 Ų | 15 | 31.9 Ų | 31.9 | 9% | 0.092 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -23.5 | -170.8 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | S671 S722 G743 E745 V782 | S671-T724 WeakPolarHBondContact CB-O 3.37Å; S722-T724 PolarHBondContact O-N 2.85Å; T724-G743 PolarHBondContact N-O 3.15Å; T724-G743 PolarHBondContact OG1-O 2.84Å; T724-E745 HydrophobicContact CG2-CB 4.13Å; T724-E745 WeakPolarHBondContact CG2-OE2 3.31Å; T724-V782 VanDerWaalsContact CB-O 3.3Å; T724-V782 WeakPolarHBondContact CB-O 3.38Å; T724-V782 PolarHBondContact OG1-O 2.98Å |
| 725 | A | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 142 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V742 G743 V782 L785 | A725-V742 WeakPolarHBondContact O-CA 3.44Å; A725-G743 PolarHBondContact N-O 3.2Å; A725-G743 PolarHBondContact O-N 3.38Å; A725-V782 HydrophobicContact CB-CG1 4.15Å; A725-L785 HydrophobicContact CB-CB 4.36Å; A725-L785 HydrophobicContact CB-CD1 4.16Å; A725-L785 HydrophobicContact CB-CG 3.89Å |
| 726 | V | 98.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 146.7 | 171.3 | -74.3 | 0 | 0 | 0 | 0 | 111.4 | S671 V682 S684 V690 L740 A741 V742 | S671-V726 PolarHBondContact OG-N 3.49Å; V682-V726 HydrophobicContact CG1-CB 4.21Å; V682-V726 HydrophobicContact CG1-CG2 3.85Å; S684-V726 VanDerWaalsContact CB-CG1 3.41Å; S684-V726 WeakPolarHBondContact OG-CG2 3.44Å; V690-V726 HydrophobicContact CG1-CG1 4.42Å; V690-V726 HydrophobicContact CG2-CG1 4.49Å; V726-L740 HydrophobicContact CB-CD1 4.41Å; V726-A741 WeakPolarHBondContact CA-O 3.3Å; V726-V742 HydrophobicContact CG1-CB 4.42Å; V726-V742 HydrophobicContact CG1-CG1 4.12Å; V726-V742 HydrophobicContact CG1-CG2 4.15Å |
| 727 | A | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 128.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D673 A741 L785 W787 | D673-A727 VanDerWaalsContact OD2-CA 3.27Å; D673-A727 WeakPolarHBondContact OD2-CA 3.31Å; A727-A741 PolarHBondContact N-O 2.94Å; A727-A741 PolarHBondContact O-N 3.19Å; A727-L785 HydrophobicContact CB-CB 3.8Å; A727-W787 PolarHBondContact O-NE1 3.02Å |
| 728 | F | 97.6 | Very high | 94.1 | Very high | 9 Ų | 9 | 37 Ų | 37 | 4% | 0.039 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 135.9 | 171.4 | -88 | -65.2 | 0 | 0 | 0 | 110.5 | D673 W674 V682 V692 Y738 L740 | D673-F728 PolarHBondContact OD2-N 3.04Å; W674-F728 VanDerWaalsContact O-CB 3.28Å; W674-F728 WeakPolarHBondContact O-CB 3.08Å; W674-F728 WeakPolarHBondContact O-CD2 3.24Å; V682-F728 HydrophobicContact CB-CD2 4.33Å; V682-F728 HydrophobicContact CB-CE2 3.54Å; V682-F728 HydrophobicContact CB-CZ 4Å; V682-F728 HydrophobicContact CG1-CD2 3.72Å; V682-F728 HydrophobicContact CG1-CE2 3.44Å; V682-F728 VanDerWaalsContact CG1-CE2 3.44Å; V682-F728 HydrophobicContact CG1-CZ 4.23Å; V692-F728 HydrophobicContact CG1-CZ 4.35Å; V692-F728 HydrophobicContact CG2-CZ 4.22Å; F728-Y738 HydrophobicContact CE1-CG 4.43Å; F728-L740 HydrophobicContact CD1-CB 4.45Å; F728-L740 HydrophobicContact CD1-CD1 3.97Å; F728-L740 HydrophobicContact CD2-CD1 4.36Å; F728-L740 HydrophobicContact CE1-CB 4.42Å; F728-L740 HydrophobicContact CE1-CD1 4.09Å; F728-L740 HydrophobicContact CG-CD1 4.12Å; F728-L740 HydrophobicContact CZ-CD1 4.36Å |
| 729 | C | 96.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | trans | -65.3 | 133.6 | 172.3 | -170.8 | 0 | 0 | 0 | 0 | 109.5 | S731 L739 W787 | C729-S731 PolarHBondContact O-N 2.85Å; C729-S731 VanDerWaalsContact O-N 3.07Å; C729-S731 PolarHBondContact SG-O 3.47Å; C729-L739 HydrophobicContact CB-CB 3.74Å; C729-L739 HydrophobicContact CB-CD2 4.11Å; C729-L739 HydrophobicContact CB-CG 4.06Å; C729-L739 WeakPolarHBondContact CB-O 3.26Å; C729-L739 PolarHBondContact N-O 2.89Å; C729-W787 HydrophobicContact CB-CD2 4.2Å; C729-W787 HydrophobicContact CB-CG 4.46Å; C729-W787 HydrophobicContact CB-CZ2 4.37Å | ||
| 730 | P | 93.3 | Very high | 94.2 | Very high | 54 Ų | 54 | 31.7 Ų | 31.7 | 35% | 0.351 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -69.6 | -6 | -179.1 | 25.5 | -33.3 | 0 | 0 | 0 | 113.4 | P676 W787 R788 | P676-P730 WeakPolarHBondContact CB-O 3.34Å; P730-W787 HydrophobicContact CG-CB 4.19Å; P730-R788 WeakPolarHBondContact CG-O 3.45Å |
| 731 | S | 90.8 | Very high | 94.3 | Very high | 27 Ų | 27 | 29.4 Ų | 29.4 | 19% | 0.189 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -126.5 | 141.5 | 177.5 | 68.7 | 0 | 0 | 0 | 0 | 110.6 | C729 K836 | C729-S731 PolarHBondContact O-N 2.85Å; C729-S731 VanDerWaalsContact O-N 3.07Å; C729-S731 PolarHBondContact SG-O 3.47Å; S731-K836 PolarHBondContact OG-NZ 3.45Å |
| 732 | L | 90.4 | Very high | 94.3 | Very high | 70 Ų | 70 | 27.2 Ų | 27.2 | 37% | 0.366 | 15% | 0.145 | S | C | . | . | trans | -71.1 | 158.2 | 174.5 | -63.9 | 174.5 | 0 | 0 | 0 | 111.5 | P676 Y738 K836 | P676-L732 HydrophobicContact CG-CD2 4.35Å; L732-Y738 HydrophobicContact CD2-CD1 3.5Å; L732-Y738 VanDerWaalsContact CD2-CD1 3.5Å; L732-Y738 HydrophobicContact CD2-CE1 3.65Å; L732-Y738 HydrophobicContact CD2-CG 4.03Å; L732-K836 PolarHBondContact O-NZ 2.78Å | ||
| 733 | C | 88.1 | Confident | 94.3 | Very high | 7 Ų | 7 | 26.7 Ų | 26.7 | 5% | 0.047 | 14% | 0.142 | C | C | . | . | trans | -71.7 | 167.3 | 165.6 | -64 | 0 | 0 | 0 | 0 | 110.9 | D735 R736 S737 | C733-D735 VanDerWaalsContact CB-OD1 3.32Å; C733-D735 WeakPolarHBondContact CB-OD1 3.38Å; C733-D735 PolarHBondContact O-N 2.96Å; C733-R736 PolarHBondContact O-N 3.08Å; C733-S737 VanDerWaalsContact CB-OG 3.27Å; C733-S737 WeakPolarHBondContact CB-OG 3.25Å; C733-S737 PolarHBondContact N-O 2.82Å; C733-S737 PolarHBondContact SG-OG 2.75Å | ||
| 734 | S | 83.5 | Confident | 94.3 | Very high | 115 Ų | 115 | 26.9 Ų | 26.9 | 80% | 0.804 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -30.2 | -178.8 | 47 | 0 | 0 | 0 | 0 | 113.8 | R736 | S734-R736 VanDerWaalsContact C-N 3.28Å; S734-R736 PolarHBondContact O-N 2.83Å |
| 735 | D | 85.3 | Confident | 94.3 | Very high | 52 Ų | 52 | 30.6 Ų | 30.6 | 28% | 0.278 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 8 | 175.9 | 71.2 | -20.2 | 0 | 0 | 0 | 113.9 | C733 S737 R753 R755 | C733-D735 VanDerWaalsContact CB-OD1 3.32Å; C733-D735 WeakPolarHBondContact CB-OD1 3.38Å; C733-D735 PolarHBondContact O-N 2.96Å; D735-S737 VanDerWaalsContact C-N 3.27Å; D735-S737 PolarHBondContact O-N 2.93Å; D735-S737 VanDerWaalsContact OD1-CB 3.27Å; D735-S737 WeakPolarHBondContact OD1-CB 3.36Å; D735-S737 PolarHBondContact OD1-N 3.2Å; D735-S737 PolarHBondContact OD1-OG 2.88Å; D735-R753 IonicContact OD1-CZ 2.93Å; D735-R753 IonicContact OD1-NH2 3.62Å; D735-R753 PolarHBondContact OD1-NH2 3.46Å; D735-R753 IonicContact OD2-CZ 3.51Å; D735-R753 IonicContact OD2-NH2 2.94Å; D735-R753 PolarHBondContact OD2-NH2 2.89Å; D735-R755 PolarHBondContact O-NH1 2.91Å |
| 736 | R | 87.3 | Confident | 94.2 | Very high | 189 Ų | 189 | 33.7 Ų | 33.7 | 71% | 0.713 | 18% | 0.18 | S | C | * | . | S | Bend | trans | 66.4 | 17.1 | -173.5 | -51.8 | -176.4 | 173.1 | -167.5 | -2.4 | 115.2 | C733 S734 | C733-R736 PolarHBondContact O-N 3.08Å; S734-R736 VanDerWaalsContact C-N 3.28Å; S734-R736 PolarHBondContact O-N 2.83Å |
| 737 | S | 91.8 | Very high | 94.2 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 148.6 | 167.1 | 74.9 | 0 | 0 | 0 | 0 | 111.1 | C733 D735 R753 W754 | C733-S737 VanDerWaalsContact CB-OG 3.27Å; C733-S737 WeakPolarHBondContact CB-OG 3.25Å; C733-S737 PolarHBondContact N-O 2.82Å; C733-S737 PolarHBondContact SG-OG 2.75Å; D735-S737 VanDerWaalsContact C-N 3.27Å; D735-S737 PolarHBondContact O-N 2.93Å; D735-S737 VanDerWaalsContact OD1-CB 3.27Å; D735-S737 WeakPolarHBondContact OD1-CB 3.36Å; D735-S737 PolarHBondContact OD1-N 3.2Å; D735-S737 PolarHBondContact OD1-OG 2.88Å; S737-R753 PolarHBondContact OG-NE 3.37Å; S737-R753 PolarHBondContact OG-NH2 2.77Å; S737-W754 CarbonylContact C-O 3.51Å; S737-W754 WeakPolarHBondContact CA-O 3.41Å |
| 738 | Y | 94.5 | Very high | 94.2 | Very high | 18 Ų | 18 | 37 Ų | 37 | 7% | 0.071 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 138.5 | 166.8 | -58.6 | -88.2 | 0 | 0 | 0 | 109.7 | P676 D677 Y680 F728 L732 R753 W754 P756 | P676-Y738 HydrophobicContact CG-CD1 4.22Å; P676-Y738 HydrophobicContact CG-CE1 4.3Å; D677-Y738 PolarHBondContact OD2-OH 2.84Å; Y680-Y738 HydrophobicContact CD2-CE2 4.21Å; Y680-Y738 AromaticContact CD2-CZ 3.95Å; Y680-Y738 HydrophobicContact CE2-CE2 4.17Å; Y680-Y738 WeakPolarHBondContact CE2-OH 3.4Å; F728-Y738 HydrophobicContact CE1-CG 4.43Å; L732-Y738 HydrophobicContact CD2-CD1 3.5Å; L732-Y738 VanDerWaalsContact CD2-CD1 3.5Å; L732-Y738 HydrophobicContact CD2-CE1 3.65Å; L732-Y738 HydrophobicContact CD2-CG 4.03Å; Y738-R753 CarbonylContact O-C 3.59Å; Y738-R753 VanDerWaalsContact O-CA 3.29Å; Y738-R753 WeakPolarHBondContact O-CA 3.14Å; Y738-W754 AromaticContact CD2-CE3 3.44Å; Y738-W754 HydrophobicContact CD2-CE3 3.44Å; Y738-W754 VanDerWaalsContact CD2-CE3 3.44Å; Y738-W754 AromaticContact CD2-CZ3 3.58Å; Y738-W754 HydrophobicContact CD2-CZ3 3.58Å; Y738-W754 HydrophobicContact CE2-CE3 4.12Å; Y738-W754 AromaticContact CE2-CZ3 3.78Å; Y738-W754 HydrophobicContact CE2-CZ3 3.78Å; Y738-W754 HydrophobicContact CG-CE3 4.06Å; Y738-W754 HydrophobicContact CG-CZ3 4.33Å; Y738-W754 PolarHBondContact N-O 3.42Å; Y738-W754 PolarHBondContact O-N 2.98Å; Y738-P756 HydrophobicContact CE2-CG 3.94Å |
| 739 | L | 95.7 | Very high | 94.2 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 127.8 | 172.1 | 175.2 | 61.6 | 0 | 0 | 0 | 109.3 | C729 L751 R753 W787 K836 L839 | C729-L739 HydrophobicContact CB-CB 3.74Å; C729-L739 HydrophobicContact CB-CD2 4.11Å; C729-L739 HydrophobicContact CB-CG 4.06Å; C729-L739 WeakPolarHBondContact CB-O 3.26Å; C729-L739 PolarHBondContact N-O 2.89Å; L739-L751 HydrophobicContact CD1-CB 4.41Å; L739-R753 HydrophobicContact CD1-CG 4.26Å; L739-W787 HydrophobicContact CD2-CH2 3.96Å; L739-W787 HydrophobicContact CD2-CZ2 4.21Å; L739-W787 HydrophobicContact CG-CH2 4.43Å; L739-W787 HydrophobicContact CG-CZ2 4.22Å; L739-K836 HydrophobicContact CD2-CG 4.3Å; L739-L839 HydrophobicContact CD1-CD1 3.77Å; L739-L839 HydrophobicContact CD2-CD1 3.76Å; L739-L839 HydrophobicContact CG-CD1 4.44Å |
| 740 | L | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.2 | -179.4 | -176.7 | 71.4 | 0 | 0 | 0 | 109.9 | V682 V690 V726 F728 V742 L751 Y752 W766 | V682-L740 HydrophobicContact CG1-CD1 3.93Å; V682-L740 HydrophobicContact CG2-CD1 4.36Å; V682-L740 HydrophobicContact CG2-CD2 4.09Å; V690-L740 HydrophobicContact CG1-CD2 3.89Å; V726-L740 HydrophobicContact CB-CD1 4.41Å; F728-L740 HydrophobicContact CD1-CB 4.45Å; F728-L740 HydrophobicContact CD1-CD1 3.97Å; F728-L740 HydrophobicContact CD2-CD1 4.36Å; F728-L740 HydrophobicContact CE1-CB 4.42Å; F728-L740 HydrophobicContact CE1-CD1 4.09Å; F728-L740 HydrophobicContact CG-CD1 4.12Å; F728-L740 HydrophobicContact CZ-CD1 4.36Å; L740-V742 HydrophobicContact CD2-CG2 3.91Å; L740-V742 HydrophobicContact CG-CG2 4.12Å; L740-L751 WeakPolarHBondContact O-CA 3.45Å; L740-Y752 PolarHBondContact N-O 2.74Å; L740-Y752 PolarHBondContact O-N 3.28Å; L740-W766 HydrophobicContact CB-CZ3 4.44Å; L740-W766 HydrophobicContact CD2-CH2 3.72Å; L740-W766 HydrophobicContact CD2-CZ3 3.75Å |
| 741 | A | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 136.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | V726 A727 I749 L750 L751 L785 W787 L820 | V726-A741 WeakPolarHBondContact CA-O 3.3Å; A727-A741 PolarHBondContact N-O 2.94Å; A727-A741 PolarHBondContact O-N 3.19Å; A741-I749 HydrophobicContact CB-CG2 4.4Å; A741-L750 CarbonylContact C-O 3.53Å; A741-L750 WeakPolarHBondContact CA-O 3.47Å; A741-L751 HydrophobicContact CB-CD2 3.84Å; A741-L785 HydrophobicContact CB-CD1 3.94Å; A741-W787 HydrophobicContact CB-CZ2 3.71Å; A741-L820 HydrophobicContact CB-CD1 4.35Å; A741-L820 HydrophobicContact CB-CD2 3.74Å |
| 742 | V | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 117.6 | 178.2 | -172.4 | 0 | 0 | 0 | 0 | 108.9 | V690 V719 A723 A725 V726 L740 L744 I749 L750 Y752 | V690-V742 HydrophobicContact CG2-CG1 3.91Å; V690-V742 HydrophobicContact CG2-CG2 4.29Å; V719-V742 HydrophobicContact CG1-CG1 4.31Å; V719-V742 HydrophobicContact CG2-CG1 4.33Å; A723-V742 HydrophobicContact CB-CG1 3.93Å; A725-V742 WeakPolarHBondContact O-CA 3.44Å; V726-V742 HydrophobicContact CG1-CB 4.42Å; V726-V742 HydrophobicContact CG1-CG1 4.12Å; V726-V742 HydrophobicContact CG1-CG2 4.15Å; L740-V742 HydrophobicContact CD2-CG2 3.91Å; L740-V742 HydrophobicContact CG-CG2 4.12Å; V742-L744 HydrophobicContact CG1-CD2 4.02Å; V742-I749 CarbonylContact O-C 3.54Å; V742-I749 WeakPolarHBondContact O-CA 3.44Å; V742-L750 PolarHBondContact N-O 2.89Å; V742-L750 PolarHBondContact O-N 3.41Å; V742-Y752 HydrophobicContact CG2-CD2 4Å; V742-Y752 HydrophobicContact CG2-CE2 4.34Å |
| 743 | G | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 137.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | T724 A725 | T724-G743 PolarHBondContact N-O 3.15Å; T724-G743 PolarHBondContact OG1-O 2.84Å; A725-G743 PolarHBondContact N-O 3.2Å; A725-G743 PolarHBondContact O-N 3.38Å |
| 744 | L | 98.7 | Very high | 95.1 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 162.7 | -174.3 | -53.7 | -175.2 | 0 | 0 | 0 | 112.6 | V719 D721 S722 A723 V742 C746 G747 Q748 L750 V782 | V719-L744 HydrophobicContact CB-CD2 4.1Å; V719-L744 HydrophobicContact CG2-CD2 3.48Å; V719-L744 VanDerWaalsContact CG2-CD2 3.48Å; D721-L744 HydrophobicContact CB-CB 4.4Å; D721-L744 HydrophobicContact CB-CD1 4.2Å; S722-L744 CarbonylContact O-C 3.55Å; S722-L744 WeakPolarHBondContact O-CA 3.42Å; A723-L744 HydrophobicContact CB-CD2 4.44Å; V742-L744 HydrophobicContact CG1-CD2 4.02Å; L744-C746 VanDerWaalsContact C-N 3.28Å; L744-C746 PolarHBondContact O-N 2.83Å; L744-G747 PolarHBondContact O-N 3.46Å; L744-Q748 HydrophobicContact CD1-CB 4.3Å; L744-Q748 PolarHBondContact N-O 2.79Å; L744-L750 HydrophobicContact CD1-CD1 3.92Å; L744-L750 HydrophobicContact CD1-CG 4.21Å; L744-V782 PolarHBondContact O-N 2.94Å; L744-V782 VanDerWaalsContact O-N 3.08Å |
| 745 | E | 98.3 | Very high | 95.4 | Very high | 93 Ų | 93 | 31.8 Ų | 31.8 | 44% | 0.435 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -33.4 | 173.1 | -172.6 | 74.8 | -151.6 | 0 | 0 | 112.3 | S722 T724 G747 L780 A781 | S722-E745 PolarHBondContact O-N 3.03Å; T724-E745 HydrophobicContact CG2-CB 4.13Å; T724-E745 WeakPolarHBondContact CG2-OE2 3.31Å; E745-G747 PolarHBondContact O-N 3.31Å; E745-L780 CarbonylContact O-C 3.57Å; E745-A781 HydrophobicContact CG-CB 4.43Å; E745-A781 WeakPolarHBondContact O-CA 3.32Å; E745-A781 PolarHBondContact O-N 2.94Å |
| 746 | C | 97 | Very high | 95.4 | Very high | 66 Ų | 66 | 31.5 Ų | 31.5 | 45% | 0.446 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -5.9 | 172.8 | 68.1 | 0 | 0 | 0 | 0 | 114.6 | D721 L744 | D721-C746 VanDerWaalsContact OD2-CB 3.27Å; D721-C746 WeakPolarHBondContact OD2-CB 3.22Å; D721-C746 PolarHBondContact OD2-N 2.84Å; L744-C746 VanDerWaalsContact C-N 3.28Å; L744-C746 PolarHBondContact O-N 2.83Å |
| 747 | G | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 91 | -4.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L744 E745 H778 L780 | L744-G747 PolarHBondContact O-N 3.46Å; E745-G747 PolarHBondContact O-N 3.31Å; G747-H778 WeakPolarHBondContact CA-O 3.45Å; G747-H778 PolarHBondContact O-N 3.06Å; G747-L780 WeakPolarHBondContact CA-O 3.44Å |
| 748 | Q | 97.8 | Very high | 93.6 | Very high | 70 Ų | 70 | 30.9 Ų | 30.9 | 33% | 0.327 | 17% | 0.171 | S | C | . | . | trans | -72.5 | 145.8 | 174.2 | -167.1 | 176.3 | 20 | 0 | 0 | 111.4 | L744 L750 T772 | L744-Q748 HydrophobicContact CD1-CB 4.3Å; L744-Q748 PolarHBondContact N-O 2.79Å; Q748-L750 HydrophobicContact CG-CD2 3.97Å; Q748-T772 PolarHBondContact NE2-O 2.8Å; Q748-T772 VanDerWaalsContact NE2-O 3.17Å | ||
| 749 | I | 98.4 | Very high | 92 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 122.2 | 171.7 | -58.9 | 167.5 | 0 | 0 | 0 | 108.3 | A741 V742 G771 T772 V782 L785 L820 F832 | A741-I749 HydrophobicContact CB-CG2 4.4Å; V742-I749 CarbonylContact O-C 3.54Å; V742-I749 WeakPolarHBondContact O-CA 3.44Å; I749-G771 CarbonylContact O-C 3.47Å; I749-G771 WeakPolarHBondContact O-CA 3.45Å; I749-T772 HydrophobicContact CB-CG2 3.98Å; I749-T772 PolarHBondContact N-OG1 2.79Å; I749-T772 PolarHBondContact O-N 3.01Å; I749-T772 PolarHBondContact O-OG1 3.37Å; I749-V782 HydrophobicContact CG1-CG2 3.98Å; I749-L785 HydrophobicContact CD1-CD2 3.9Å; I749-L785 HydrophobicContact CG1-CD2 4.29Å; I749-L785 HydrophobicContact CG2-CD1 4.42Å; I749-L785 HydrophobicContact CG2-CD2 4.5Å; I749-L820 HydrophobicContact CG2-CD2 4.03Å; I749-F832 HydrophobicContact CD1-CD2 4.38Å; I749-F832 HydrophobicContact CD1-CE2 3.6Å; I749-F832 HydrophobicContact CD1-CZ 4.12Å |
| 750 | L | 97.8 | Very high | 90.2 | Very high | 20 Ų | 20 | 39.4 Ų | 39.4 | 11% | 0.105 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 143.7 | 178.1 | -57.6 | -178.5 | 0 | 0 | 0 | 110.4 | V719 A741 V742 L744 Q748 Y752 | V719-L750 HydrophobicContact CB-CD1 4.19Å; A741-L750 CarbonylContact C-O 3.53Å; A741-L750 WeakPolarHBondContact CA-O 3.47Å; V742-L750 PolarHBondContact N-O 2.89Å; V742-L750 PolarHBondContact O-N 3.41Å; L744-L750 HydrophobicContact CD1-CD1 3.92Å; L744-L750 HydrophobicContact CD1-CG 4.21Å; Q748-L750 HydrophobicContact CG-CD2 3.97Å; L750-Y752 HydrophobicContact CB-CD2 4.2Å; L750-Y752 HydrophobicContact CB-CE2 3.52Å; L750-Y752 HydrophobicContact CD1-CE2 3.98Å; L750-Y752 WeakPolarHBondContact CD1-OH 3.39Å; L750-Y752 HydrophobicContact CG-CE2 4.42Å |
| 751 | L | 97.2 | Very high | 88 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 134.1 | 174.8 | -62 | -178.2 | 0 | 0 | 0 | 109.9 | I5 I6 L739 L740 A741 G769 G770 W787 V834 L839 | I5-L751 HydrophobicContact CG2-CD1 4.21Å; I6-L751 HydrophobicContact CD1-CD1 3.52Å; I6-L751 HydrophobicContact CD1-CG 3.89Å; I6-L751 HydrophobicContact CG1-CD1 3.68Å; L739-L751 HydrophobicContact CD1-CB 4.41Å; L740-L751 WeakPolarHBondContact O-CA 3.45Å; A741-L751 HydrophobicContact CB-CD2 3.84Å; L751-G769 WeakPolarHBondContact O-CA 3.43Å; L751-G769 PolarHBondContact O-N 3.43Å; L751-G770 PolarHBondContact N-O 2.67Å; L751-W787 HydrophobicContact CD2-CH2 4.11Å; L751-W787 HydrophobicContact CD2-CZ2 4.13Å; L751-V834 HydrophobicContact CD1-CG1 3.56Å; L751-V834 HydrophobicContact CD1-CG2 4.26Å; L751-L839 HydrophobicContact CB-CD2 4.37Å; L751-L839 HydrophobicContact CD1-CD1 4.41Å; L751-L839 HydrophobicContact CD1-CD2 4.17Å |
| 752 | Y | 95.4 | Very high | 85.9 | Confident | 25 Ų | 25 | 52.2 Ų | 52.2 | 10% | 0.098 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 143.7 | 177.4 | -68.3 | -84.9 | 0 | 0 | 0 | 110.9 | L717 V719 L740 V742 L750 W766 I767 | L717-Y752 HydrophobicContact CD1-CD1 4.3Å; L717-Y752 HydrophobicContact CD1-CE1 3.91Å; L717-Y752 HydrophobicContact CD2-CD1 4.02Å; L717-Y752 HydrophobicContact CD2-CD2 3.82Å; L717-Y752 HydrophobicContact CD2-CE1 4.1Å; L717-Y752 HydrophobicContact CD2-CE2 3.89Å; L717-Y752 HydrophobicContact CD2-CG 3.88Å; V719-Y752 HydrophobicContact CG1-CE2 3.98Å; L740-Y752 PolarHBondContact N-O 2.74Å; L740-Y752 PolarHBondContact O-N 3.28Å; V742-Y752 HydrophobicContact CG2-CD2 4Å; V742-Y752 HydrophobicContact CG2-CE2 4.34Å; L750-Y752 HydrophobicContact CB-CD2 4.2Å; L750-Y752 HydrophobicContact CB-CE2 3.52Å; L750-Y752 HydrophobicContact CD1-CE2 3.98Å; L750-Y752 WeakPolarHBondContact CD1-OH 3.39Å; L750-Y752 HydrophobicContact CG-CE2 4.42Å; Y752-W766 HydrophobicContact CG-CE3 4.4Å; Y752-I767 WeakPolarHBondContact CA-O 2.79Å |
| 753 | R | 93.8 | Very high | 84.2 | Confident | 24 Ų | 24 | 54.6 Ų | 54.6 | 9% | 0.091 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 139.7 | 168.2 | -66.5 | 171.6 | 69.7 | 174.6 | 8.2 | 109.3 | D735 S737 Y738 L739 I767 L839 | D735-R753 IonicContact OD1-CZ 2.93Å; D735-R753 IonicContact OD1-NH2 3.62Å; D735-R753 PolarHBondContact OD1-NH2 3.46Å; D735-R753 IonicContact OD2-CZ 3.51Å; D735-R753 IonicContact OD2-NH2 2.94Å; D735-R753 PolarHBondContact OD2-NH2 2.89Å; S737-R753 PolarHBondContact OG-NE 3.37Å; S737-R753 PolarHBondContact OG-NH2 2.77Å; Y738-R753 CarbonylContact O-C 3.59Å; Y738-R753 VanDerWaalsContact O-CA 3.29Å; Y738-R753 WeakPolarHBondContact O-CA 3.14Å; L739-R753 HydrophobicContact CD1-CG 4.26Å; R753-I767 HydrophobicContact CB-CB 4.26Å; R753-I767 PolarHBondContact N-O 2.81Å; R753-I767 PolarHBondContact O-N 3.07Å; R753-L839 VanDerWaalsContact CD-OXT 3.28Å; R753-L839 WeakPolarHBondContact CD-OXT 3.31Å; R753-L839 PolarHBondContact NH1-O 3.06Å; R753-L839 PolarHBondContact NH1-OXT 3.02Å |
| 754 | W | 93.9 | Very high | 83.2 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.008 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 138.1 | -179.2 | 175 | 69.3 | 0 | 0 | 0 | 110.4 | Y680 V692 S737 Y738 P756 D765 W766 | Y680-W754 AromaticContact CD1-CH2 3.93Å; Y680-W754 HydrophobicContact CD1-CH2 3.93Å; Y680-W754 HydrophobicContact CD2-CH2 4.05Å; Y680-W754 AromaticContact CD2-CZ3 3.95Å; Y680-W754 HydrophobicContact CD2-CZ3 3.95Å; Y680-W754 HydrophobicContact CE1-CH2 4.13Å; Y680-W754 HydrophobicContact CE2-CH2 4.24Å; Y680-W754 HydrophobicContact CE2-CZ3 4.36Å; Y680-W754 AromaticContact CG-CH2 3.89Å; Y680-W754 HydrophobicContact CG-CH2 3.89Å; Y680-W754 HydrophobicContact CG-CZ3 4.05Å; V692-W754 HydrophobicContact CB-CH2 4.25Å; V692-W754 HydrophobicContact CB-CZ2 4.21Å; V692-W754 HydrophobicContact CB-CZ3 4.5Å; V692-W754 HydrophobicContact CG1-CE3 4.21Å; V692-W754 HydrophobicContact CG1-CH2 3.53Å; V692-W754 HydrophobicContact CG1-CZ2 3.99Å; V692-W754 HydrophobicContact CG1-CZ3 3.67Å; V692-W754 HydrophobicContact CG2-CD2 4.3Å; V692-W754 HydrophobicContact CG2-CE3 4.38Å; S737-W754 CarbonylContact C-O 3.51Å; S737-W754 WeakPolarHBondContact CA-O 3.41Å; Y738-W754 AromaticContact CD2-CE3 3.44Å; Y738-W754 HydrophobicContact CD2-CE3 3.44Å; Y738-W754 VanDerWaalsContact CD2-CE3 3.44Å; Y738-W754 AromaticContact CD2-CZ3 3.58Å; Y738-W754 HydrophobicContact CD2-CZ3 3.58Å; Y738-W754 HydrophobicContact CE2-CE3 4.12Å; Y738-W754 AromaticContact CE2-CZ3 3.78Å; Y738-W754 HydrophobicContact CE2-CZ3 3.78Å; Y738-W754 HydrophobicContact CG-CE3 4.06Å; Y738-W754 HydrophobicContact CG-CZ3 4.33Å; Y738-W754 PolarHBondContact N-O 3.42Å; Y738-W754 PolarHBondContact O-N 2.98Å; W754-P756 HydrophobicContact CH2-CB 4.32Å; W754-P756 HydrophobicContact CH2-CG 3.64Å; W754-P756 HydrophobicContact CZ2-CB 4.33Å; W754-P756 HydrophobicContact CZ2-CG 4.05Å; W754-P756 HydrophobicContact CZ3-CG 3.96Å; W754-D765 PolarHBondContact NE1-OD2 3.41Å; W754-W766 HydrophobicContact CB-CD2 4.35Å; W754-W766 HydrophobicContact CB-CE3 3.66Å; W754-W766 HydrophobicContact CB-CH2 4.06Å; W754-W766 HydrophobicContact CB-CZ3 3.52Å; W754-W766 HydrophobicContact CG-CE3 4.25Å; W754-W766 HydrophobicContact CG-CH2 4.16Å; W754-W766 HydrophobicContact CG-CZ2 4.41Å; W754-W766 HydrophobicContact CG-CZ3 4.08Å |
| 755 | R | 89.2 | Confident | 82.6 | Confident | 102 Ų | 102 | 56.9 Ų | 56.9 | 39% | 0.385 | 34% | 0.342 | S | S | . | . | trans | -135.6 | 127.2 | 175.4 | -167.5 | -177.5 | -178.9 | 168.1 | -2.1 | 110.2 | D735 G757 Q758 | D735-R755 PolarHBondContact O-NH1 2.91Å; R755-G757 PolarHBondContact O-N 3.15Å; R755-Q758 HydrophobicContact CB-CB 4.41Å | ||
| 756 | P | 84.8 | Confident | 82.2 | Confident | 45 Ų | 45 | 53.3 Ų | 53.3 | 29% | 0.292 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 133.5 | 177.9 | -20.3 | 27.5 | 0 | 0 | 0 | 112.1 | Y680 Y738 W754 Q758 | Y680-P756 HydrophobicContact CE2-CG 3.86Å; Y738-P756 HydrophobicContact CE2-CG 3.94Å; W754-P756 HydrophobicContact CH2-CB 4.32Å; W754-P756 HydrophobicContact CH2-CG 3.64Å; W754-P756 HydrophobicContact CZ2-CB 4.33Å; W754-P756 HydrophobicContact CZ2-CG 4.05Å; W754-P756 HydrophobicContact CZ3-CG 3.96Å; P756-Q758 VanDerWaalsContact C-N 3.28Å; P756-Q758 PolarHBondContact O-N 3.11Å |
| 757 | G | 73.4 | Confident | 82 | Confident | 85 Ų | 85 | 54.3 Ų | 54.3 | 88% | 0.876 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | R755 | R755-G757 PolarHBondContact O-N 3.15Š|
| 758 | Q | 67.9 | Low | 81.6 | Confident | 93 Ų | 93 | 57.9 Ų | 57.9 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | trans | -104.5 | 95.2 | 173.7 | -169 | 179.5 | -8 | 0 | 0 | 109.5 | R755 P756 G760 D765 | R755-Q758 HydrophobicContact CB-CB 4.41Å; P756-Q758 VanDerWaalsContact C-N 3.28Å; P756-Q758 PolarHBondContact O-N 3.11Å; Q758-G760 PolarHBondContact O-N 3.22Å; Q758-D765 WeakPolarHBondContact O-CA 3.32Å; Q758-D765 WeakPolarHBondContact O-CB 3.4Å | ||
| 759 | E | 60.9 | Low | 80.9 | Confident | 165 Ų | 165 | 54.8 Ų | 54.8 | 77% | 0.771 | 34% | 0.337 | S | S | * | . | trans | -72.2 | 123.5 | 168.6 | -70.6 | -176 | 176.2 | 0 | 0 | 109.4 | ||||
| 760 | G | 57.8 | Low | 80.5 | Confident | 34 Ų | 34 | 56.2 Ų | 56.2 | 35% | 0.351 | 35% | 0.352 | S | S | . | . | trans | -73 | 173 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q758 S762 G763 S764 | Q758-G760 PolarHBondContact O-N 3.22Å; G760-S762 PolarHBondContact O-N 3.21Å; G760-G763 PolarHBondContact O-N 3.05Å; G760-S764 WeakPolarHBondContact CA-O 3.43Å; G760-S764 PolarHBondContact N-O 3.23Å | ||
| 761 | V | 51.3 | Low | 80.3 | Confident | 165 Ų | 165 | 56.6 Ų | 56.6 | 100% | 1 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -24.2 | 179.9 | -175.3 | 0 | 0 | 0 | 0 | 112.7 | ||
| 762 | S | 54.6 | Low | 80.2 | Confident | 103 Ų | 103 | 56.7 Ų | 56.7 | 72% | 0.72 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 3.1 | 178.4 | 54.6 | 0 | 0 | 0 | 0 | 114.6 | G760 S764 | G760-S762 PolarHBondContact O-N 3.21Å; S762-S764 PolarHBondContact O-N 3.03Å |
| 763 | G | 63.2 | Low | 80.1 | Confident | 50 Ų | 50 | 58.9 Ų | 58.9 | 52% | 0.515 | 37% | 0.374 | S | S | . | . | S | Bend | trans | 73.6 | 6.5 | -173 | 0 | 0 | 0 | 0 | 0 | 114.4 | G760 | G760-G763 PolarHBondContact O-N 3.05Š|
| 764 | S | 77.5 | Confident | 80 | Confident | 33 Ų | 33 | 62.5 Ų | 62.5 | 23% | 0.231 | 40% | 0.399 | C | S | . | . | trans | -103.4 | 140 | 170.1 | 176.8 | 0 | 0 | 0 | 0 | 109.9 | S715 G760 S762 W766 | S715-S764 PolarHBondContact OG-OG 2.58Å; G760-S764 WeakPolarHBondContact CA-O 3.43Å; G760-S764 PolarHBondContact N-O 3.23Å; S762-S764 PolarHBondContact O-N 3.03Å; S764-W766 VanDerWaalsContact C-N 3.27Å; S764-W766 PolarHBondContact OG-N 2.94Å | ||
| 765 | D | 86.2 | Confident | 79.8 | Confident | 19 Ų | 19 | 64.9 Ų | 64.9 | 10% | 0.102 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -88.6 | 7.1 | 174.1 | 60.8 | -20.7 | 0 | 0 | 0 | 113.1 | S714 S715 W754 Q758 | S714-D765 WeakPolarHBondContact CA-OD2 3.46Å; S714-D765 WeakPolarHBondContact CB-OD2 3.42Å; S715-D765 VanDerWaalsContact CB-OD1 3.25Å; S715-D765 WeakPolarHBondContact CB-OD1 3.23Å; S715-D765 PolarHBondContact N-OD1 3.24Å; S715-D765 PolarHBondContact N-OD2 3.42Å; S715-D765 PolarHBondContact OG-OD1 2.84Å; W754-D765 PolarHBondContact NE1-OD2 3.41Å; Q758-D765 WeakPolarHBondContact O-CA 3.32Å; Q758-D765 WeakPolarHBondContact O-CB 3.4Å |
| 766 | W | 91 | Very high | 80.1 | Confident | 18 Ų | 18 | 61.6 Ų | 61.6 | 7% | 0.068 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 135.6 | 176.5 | -62.8 | 96.2 | 0 | 0 | 0 | 112.3 | V692 S715 L717 L740 Y752 W754 S764 | V692-W766 HydrophobicContact CG2-CH2 3.55Å; V692-W766 HydrophobicContact CG2-CZ2 3.71Å; S715-W766 PolarHBondContact O-NE1 3.09Å; S715-W766 VanDerWaalsContact OG-CD1 3.25Å; L717-W766 HydrophobicContact CB-CD2 4.25Å; L717-W766 HydrophobicContact CB-CG 4.32Å; L717-W766 HydrophobicContact CB-CZ2 4.27Å; L717-W766 HydrophobicContact CD1-CB 4.18Å; L717-W766 HydrophobicContact CD1-CD2 4.41Å; L717-W766 HydrophobicContact CD1-CG 3.98Å; L717-W766 HydrophobicContact CD2-CD2 3.89Å; L717-W766 HydrophobicContact CD2-CE3 4Å; L717-W766 HydrophobicContact CD2-CG 4.32Å; L717-W766 HydrophobicContact CD2-CH2 4.47Å; L717-W766 HydrophobicContact CD2-CZ2 4.4Å; L717-W766 HydrophobicContact CD2-CZ3 4.27Å; L717-W766 HydrophobicContact CG-CD2 4.42Å; L717-W766 HydrophobicContact CG-CG 4.44Å; L740-W766 HydrophobicContact CB-CZ3 4.44Å; L740-W766 HydrophobicContact CD2-CH2 3.72Å; L740-W766 HydrophobicContact CD2-CZ3 3.75Å; Y752-W766 HydrophobicContact CG-CE3 4.4Å; W754-W766 HydrophobicContact CB-CD2 4.35Å; W754-W766 HydrophobicContact CB-CE3 3.66Å; W754-W766 HydrophobicContact CB-CH2 4.06Å; W754-W766 HydrophobicContact CB-CZ3 3.52Å; W754-W766 HydrophobicContact CG-CE3 4.25Å; W754-W766 HydrophobicContact CG-CH2 4.16Å; W754-W766 HydrophobicContact CG-CZ2 4.41Å; W754-W766 HydrophobicContact CG-CZ3 4.08Å; S764-W766 VanDerWaalsContact C-N 3.27Å; S764-W766 PolarHBondContact OG-N 2.94Å |
| 767 | I | 91.3 | Very high | 80.6 | Confident | 86 Ų | 86 | 60 Ų | 60 | 44% | 0.441 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 120 | 171.6 | -58 | 169.3 | 0 | 0 | 0 | 107.7 | Y752 R753 G769 | Y752-I767 WeakPolarHBondContact CA-O 2.79Å; R753-I767 HydrophobicContact CB-CB 4.26Å; R753-I767 PolarHBondContact N-O 2.81Å; R753-I767 PolarHBondContact O-N 3.07Å; I767-G769 PolarHBondContact O-N 3.14Å |
| 768 | S | 90.3 | Very high | 81.8 | Confident | 76 Ų | 76 | 56.1 Ų | 56.1 | 53% | 0.531 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 126.6 | 176.8 | -175.6 | 0 | 0 | 0 | 0 | 110.5 | G770 | S768-G770 PolarHBondContact OG-N 2.72Å |
| 769 | G | 83.2 | Confident | 83.2 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 5% | 0.052 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 11.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I5 L751 I767 L839 | I5-G769 WeakPolarHBondContact CD1-O 3.15Å; L751-G769 WeakPolarHBondContact O-CA 3.43Å; L751-G769 PolarHBondContact O-N 3.43Å; I767-G769 PolarHBondContact O-N 3.14Å; G769-L839 VanDerWaalsContact CA-CD2 3.41Å; G769-L839 WeakPolarHBondContact O-CD2 3.18Å |
| 770 | G | 90.1 | Very high | 85 | Confident | 31 Ų | 31 | 48.2 Ų | 48.2 | 32% | 0.32 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 82.9 | -160.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L751 S768 | L751-G770 PolarHBondContact N-O 2.67Å; S768-G770 PolarHBondContact OG-N 2.72Å |
| 771 | G | 93.2 | Very high | 86.9 | Confident | 27 Ų | 27 | 46.9 Ų | 46.9 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | 179.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I749 | I749-G771 CarbonylContact O-C 3.47Å; I749-G771 WeakPolarHBondContact O-CA 3.45Å |
| 772 | T | 95.5 | Very high | 89.2 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | trans | -64.5 | 139.8 | 176.2 | 52.2 | 0 | 0 | 0 | 0 | 110.7 | I6 Q748 I749 Q776 S777 F832 | I6-T772 HydrophobicContact CD1-CG2 4.36Å; I6-T772 HydrophobicContact CG2-CG2 4.41Å; Q748-T772 PolarHBondContact NE2-O 2.8Å; Q748-T772 VanDerWaalsContact NE2-O 3.17Å; I749-T772 HydrophobicContact CB-CG2 3.98Å; I749-T772 PolarHBondContact N-OG1 2.79Å; I749-T772 PolarHBondContact O-N 3.01Å; I749-T772 PolarHBondContact O-OG1 3.37Å; T772-Q776 HydrophobicContact CG2-CB 4.04Å; T772-S777 WeakPolarHBondContact CB-OG 3.28Å; T772-S777 PolarHBondContact O-OG 3.44Å; T772-S777 PolarHBondContact OG1-OG 3.1Å; T772-F832 HydrophobicContact CG2-CE1 4.08Å; T772-F832 HydrophobicContact CG2-CZ 4.2Å | ||
| 773 | D | 92.9 | Very high | 91.3 | Very high | 72 Ų | 72 | 38.1 Ų | 38.1 | 39% | 0.385 | 24% | 0.238 | S | C | . | . | trans | -77.9 | 179.3 | 169.3 | 72.2 | 27.3 | 0 | 0 | 0 | 111.5 | L775 Q776 S777 | D773-L775 VanDerWaalsContact C-N 3.27Å; D773-L775 PolarHBondContact O-N 3.16Å; D773-L775 WeakPolarHBondContact OD1-CA 3.42Å; D773-L775 WeakPolarHBondContact OD1-CB 3.36Å; D773-L775 PolarHBondContact OD1-N 3.08Å; D773-Q776 PolarHBondContact O-N 2.98Å; D773-Q776 WeakPolarHBondContact OD1-CG 3.35Å; D773-Q776 PolarHBondContact OD1-N 3.4Å; D773-S777 VanDerWaalsContact O-CB 3.3Å; D773-S777 WeakPolarHBondContact O-CB 3.13Å; D773-S777 PolarHBondContact O-N 2.8Å; D773-S777 PolarHBondContact O-OG 3.46Å | ||
| 774 | T | 91.1 | Very high | 92.9 | Very high | 99 Ų | 99 | 36.4 Ų | 36.4 | 61% | 0.607 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -34.8 | -179.4 | -51.3 | 0 | 0 | 0 | 0 | 113.3 | N53 | N53-T774 HydrophobicContact CB-CG2 4.25Å; N53-T774 WeakPolarHBondContact CB-O 3.12Å; N53-T774 PolarHBondContact ND2-O 3.11Å |
| 775 | L | 90.8 | Very high | 94 | Very high | 53 Ų | 53 | 35 Ų | 35 | 28% | 0.277 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -26.7 | -177.5 | -54 | 176.9 | 0 | 0 | 0 | 111.6 | L51 D773 | L51-L775 VanDerWaalsContact O-CD2 3.23Å; L51-L775 WeakPolarHBondContact O-CD2 3.44Å; D773-L775 VanDerWaalsContact C-N 3.27Å; D773-L775 PolarHBondContact O-N 3.16Å; D773-L775 WeakPolarHBondContact OD1-CA 3.42Å; D773-L775 WeakPolarHBondContact OD1-CB 3.36Å; D773-L775 PolarHBondContact OD1-N 3.08Å |
| 776 | Q | 94.6 | Very high | 94.5 | Very high | 33 Ų | 33 | 36.5 Ų | 36.5 | 15% | 0.154 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -36.7 | 178.3 | -65.5 | 179.7 | -33 | 0 | 0 | 112.5 | I6 T8 T772 D773 K830 F832 | I6-Q776 PolarHBondContact O-NE2 2.6Å; T8-Q776 WeakPolarHBondContact OG1-CG 3.37Å; T772-Q776 HydrophobicContact CG2-CB 4.04Å; D773-Q776 PolarHBondContact O-N 2.98Å; D773-Q776 WeakPolarHBondContact OD1-CG 3.35Å; D773-Q776 PolarHBondContact OD1-N 3.4Å; Q776-K830 PolarHBondContact O-NZ 3.46Å; Q776-F832 HydrophobicContact CB-CE1 4.36Å |
| 777 | S | 96.4 | Very high | 94.9 | Very high | 11 Ų | 11 | 36.5 Ų | 36.5 | 8% | 0.077 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -61.5 | 153.2 | -174.7 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | N53 T772 D773 K830 | N53-S777 PolarHBondContact ND2-O 3.48Å; T772-S777 WeakPolarHBondContact CB-OG 3.28Å; T772-S777 PolarHBondContact O-OG 3.44Å; T772-S777 PolarHBondContact OG1-OG 3.1Å; D773-S777 VanDerWaalsContact O-CB 3.3Å; D773-S777 WeakPolarHBondContact O-CB 3.13Å; D773-S777 PolarHBondContact O-N 2.8Å; D773-S777 PolarHBondContact O-OG 3.46Å; S777-K830 VanDerWaalsContact C-NZ 3.26Å; S777-K830 PolarHBondContact O-NZ 3.28Å |
| 778 | H | 98.1 | Very high | 95.1 | Very high | 4 Ų | 4 | 32.5 Ų | 32.5 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | trans | -65.1 | 154.8 | 163.4 | -67.6 | -87.7 | 0 | 0 | 0 | 109.8 | G747 L780 S822 G824 D826 S828 | G747-H778 WeakPolarHBondContact CA-O 3.45Å; G747-H778 PolarHBondContact O-N 3.06Å; H778-L780 VanDerWaalsContact CB-O 3.26Å; H778-L780 WeakPolarHBondContact CB-O 3.23Å; H778-S822 WeakPolarHBondContact NE2-CB 3.46Å; H778-S822 PolarHBondContact NE2-OG 3.37Å; H778-G824 WeakPolarHBondContact ND1-CA 2.94Å; H778-D826 WeakPolarHBondContact CA-OD2 3.18Å; H778-D826 VanDerWaalsContact CB-OD2 3.28Å; H778-D826 WeakPolarHBondContact CB-OD2 3.37Å; H778-D826 IonicContact CE1-OD1 3.52Å; H778-D826 IonicContact CG-OD1 3.15Å; H778-D826 IonicContact CG-OD2 2.79Å; H778-D826 IonicContact ND1-OD1 3.92Å; H778-D826 PolarHBondContact ND1-OD1 3.39Å; H778-D826 IonicContact ND1-OD2 3.76Å; H778-D826 PolarHBondContact ND1-OD2 3.15Å; H778-S828 PolarHBondContact CE1-OG 3Å; H778-S828 VanDerWaalsContact CE1-OG 3.27Å; H778-S828 PolarHBondContact ND1-OG 3.33Å | ||
| 779 | T | 97.4 | Very high | 95.2 | Very high | 30 Ų | 30 | 31.5 Ų | 31.5 | 18% | 0.184 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -88.2 | -12.5 | 174.8 | 51.5 | 0 | 0 | 0 | 0 | 113.3 | N36 S37 N53 D826 | N36-T779 HydrophobicContact CB-CG2 4.41Å; S37-T779 WeakPolarHBondContact OG-CG2 3.42Å; N53-T779 HydrophobicContact CB-CG2 3.86Å; N53-T779 VanDerWaalsContact CG-CG2 3.46Å; T779-D826 PolarHBondContact N-OD2 2.95Å; T779-D826 VanDerWaalsContact OG1-CB 3.24Å; T779-D826 WeakPolarHBondContact OG1-CB 3.42Å |
| 780 | L | 98.2 | Very high | 95.5 | Very high | 61 Ų | 61 | 36.1 Ų | 36.1 | 32% | 0.319 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -136 | 176 | 177.1 | -61.2 | 177 | 0 | 0 | 0 | 109.5 | E745 G747 H778 V782 A825 D826 | E745-L780 CarbonylContact O-C 3.57Å; G747-L780 WeakPolarHBondContact CA-O 3.44Å; H778-L780 VanDerWaalsContact CB-O 3.26Å; H778-L780 WeakPolarHBondContact CB-O 3.23Å; L780-V782 PolarHBondContact O-N 2.9Å; L780-A825 HydrophobicContact CB-CB 3.78Å; L780-D826 HydrophobicContact CB-CB 4.13Å; L780-D826 HydrophobicContact CD1-CB 4.4Å; L780-D826 HydrophobicContact CG-CB 4.25Å |
| 781 | A | 98.5 | Very high | 95.3 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 6% | 0.058 | 20% | 0.197 | C | C | . | . | trans | -48.3 | 133.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | E745 K783 A825 | E745-A781 HydrophobicContact CG-CB 4.43Å; E745-A781 WeakPolarHBondContact O-CA 3.32Å; E745-A781 PolarHBondContact O-N 2.94Å; A781-K783 PolarHBondContact O-N 2.76Å; A781-A825 HydrophobicContact CB-CB 4.33Å; A781-A825 WeakPolarHBondContact O-CB 3.47Å; A781-A825 PolarHBondContact O-N 2.82Å | ||
| 782 | V | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 113.7 | 169.4 | -174.2 | 0 | 0 | 0 | 0 | 108.5 | T724 A725 L744 I749 L780 L785 | T724-V782 VanDerWaalsContact CB-O 3.3Å; T724-V782 WeakPolarHBondContact CB-O 3.38Å; T724-V782 PolarHBondContact OG1-O 2.98Å; A725-V782 HydrophobicContact CB-CG1 4.15Å; L744-V782 PolarHBondContact O-N 2.94Å; L744-V782 VanDerWaalsContact O-N 3.08Å; I749-V782 HydrophobicContact CG1-CG2 3.98Å; L780-V782 PolarHBondContact O-N 2.9Å; V782-L785 HydrophobicContact CG1-CD2 3.79Å; V782-L785 HydrophobicContact CG1-CG 3.93Å |
| 783 | K | 98.5 | Very high | 94.7 | Very high | 84 Ų | 84 | 39.1 Ų | 39.1 | 37% | 0.365 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -35.4 | -175.8 | -69.3 | -70.7 | -174.2 | 168.8 | 0 | 112.9 | V387 A781 A823 A825 | V387-K783 WeakPolarHBondContact O-CB 3.33Å; V387-K783 WeakPolarHBondContact O-CG 3.42Å; A781-K783 PolarHBondContact O-N 2.76Å; K783-A823 HydrophobicContact CB-CB 4.4Å; K783-A823 PolarHBondContact N-O 3.25Å; K783-A825 HydrophobicContact CG-CB 4.29Å |
| 784 | R | 98.5 | Very high | 94.4 | Very high | 14 Ų | 14 | 35.9 Ų | 35.9 | 5% | 0.053 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 145.3 | -177.9 | -162.6 | 69.1 | 148.2 | -167.4 | -13.8 | 111.4 | D389 L390 R786 S822 A823 | D389-R784 WeakPolarHBondContact OD1-CD 3.45Å; D389-R784 WeakPolarHBondContact OD1-CG 3.48Å; D389-R784 IonicContact OD1-CZ 3.87Å; D389-R784 IonicContact OD1-NE 3.31Å; D389-R784 PolarHBondContact OD1-NE 3.18Å; D389-R784 IonicContact OD1-NH2 3.29Å; D389-R784 PolarHBondContact OD1-NH2 2.89Å; D389-R784 VanDerWaalsContact OD1-NH2 3.16Å; D389-R784 IonicContact OD2-CZ 3.83Å; D389-R784 IonicContact OD2-NH2 3.82Å; D389-R784 PolarHBondContact OD2-NH2 3.13Å; L390-R784 HydrophobicContact CG-CB 4.37Å; L390-R784 HydrophobicContact CG-CG 4.36Å; R784-R786 HydrophobicContact CG-CG 4.41Å; R784-R786 VanDerWaalsContact CZ-NH2 3.34Å; R784-S822 VanDerWaalsContact O-CA 3.31Å; R784-S822 WeakPolarHBondContact O-CA 3.43Å; R784-A823 HydrophobicContact CB-CB 3.89Å; R784-A823 PolarHBondContact N-O 3.19Å; R784-A823 PolarHBondContact O-N 3.01Å |
| 785 | L | 98.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 133.2 | 170 | -69.7 | 177.8 | 0 | 0 | 0 | 108.9 | A725 A727 A741 I749 V782 L820 A821 | A725-L785 HydrophobicContact CB-CB 4.36Å; A725-L785 HydrophobicContact CB-CD1 4.16Å; A725-L785 HydrophobicContact CB-CG 3.89Å; A727-L785 HydrophobicContact CB-CB 3.8Å; A741-L785 HydrophobicContact CB-CD1 3.94Å; I749-L785 HydrophobicContact CD1-CD2 3.9Å; I749-L785 HydrophobicContact CG1-CD2 4.29Å; I749-L785 HydrophobicContact CG2-CD1 4.42Å; I749-L785 HydrophobicContact CG2-CD2 4.5Å; V782-L785 HydrophobicContact CG1-CD2 3.79Å; V782-L785 HydrophobicContact CG1-CG 3.93Å; L785-L820 HydrophobicContact CB-CD1 4.25Å; L785-L820 HydrophobicContact CD2-CD1 4.27Å; L785-L820 HydrophobicContact CD2-CD2 4.21Å; L785-L820 HydrophobicContact CD2-CG 4.33Å; L785-A821 WeakPolarHBondContact CA-O 3.49Å |
| 786 | R | 98.3 | Very high | 93 | Very high | 51 Ų | 51 | 33.1 Ų | 33.1 | 19% | 0.192 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 124.7 | 170.6 | -66.5 | -66 | -173.4 | -170.5 | 0.7 | 110.3 | L390 W392 D673 R784 A821 | L390-R786 HydrophobicContact CD1-CB 3.58Å; L390-R786 HydrophobicContact CD1-CG 3.59Å; L390-R786 WeakPolarHBondContact O-CG 3.35Å; W392-R786 PolarHBondContact NE1-O 3.35Å; D673-R786 IonicContact OD1-NH1 2.8Å; R784-R786 HydrophobicContact CG-CG 4.41Å; R784-R786 VanDerWaalsContact CZ-NH2 3.34Å; R786-A821 PolarHBondContact N-O 2.7Å; R786-A821 PolarHBondContact O-N 3.26Å |
| 787 | W | 97.9 | Very high | 91.2 | Very high | 18 Ų | 18 | 35.1 Ų | 35.1 | 7% | 0.068 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 145.6 | 169.5 | -67.1 | 97.6 | 0 | 0 | 0 | 110.5 | W392 A727 C729 P730 L739 A741 L751 V818 Q819 L820 V834 | W392-W787 VanDerWaalsContact CD1-O 3.26Å; A727-W787 PolarHBondContact O-NE1 3.02Å; C729-W787 HydrophobicContact CB-CD2 4.2Å; C729-W787 HydrophobicContact CB-CG 4.46Å; C729-W787 HydrophobicContact CB-CZ2 4.37Å; P730-W787 HydrophobicContact CG-CB 4.19Å; L739-W787 HydrophobicContact CD2-CH2 3.96Å; L739-W787 HydrophobicContact CD2-CZ2 4.21Å; L739-W787 HydrophobicContact CG-CH2 4.43Å; L739-W787 HydrophobicContact CG-CZ2 4.22Å; A741-W787 HydrophobicContact CB-CZ2 3.71Å; L751-W787 HydrophobicContact CD2-CH2 4.11Å; L751-W787 HydrophobicContact CD2-CZ2 4.13Å; W787-V818 HydrophobicContact CE3-CB 4.19Å; W787-V818 HydrophobicContact CE3-CG2 3.98Å; W787-V818 HydrophobicContact CH2-CG2 4.26Å; W787-V818 HydrophobicContact CZ3-CB 4.14Å; W787-V818 HydrophobicContact CZ3-CG2 3.47Å; W787-V818 VanDerWaalsContact CZ3-CG2 3.47Å; W787-Q819 CarbonylContact C-O 3.57Å; W787-Q819 WeakPolarHBondContact CA-O 3.27Å; W787-L820 HydrophobicContact CD2-CB 4.29Å; W787-L820 HydrophobicContact CD2-CD1 3.81Å; W787-L820 HydrophobicContact CE3-CB 3.8Å; W787-L820 HydrophobicContact CE3-CD1 4.21Å; W787-L820 HydrophobicContact CG-CD1 4.06Å; W787-L820 HydrophobicContact CH2-CB 4.19Å; W787-L820 HydrophobicContact CH2-CD2 4.33Å; W787-L820 HydrophobicContact CZ2-CD1 4.37Å; W787-L820 HydrophobicContact CZ2-CD2 4.35Å; W787-L820 HydrophobicContact CZ3-CB 3.72Å; W787-V834 HydrophobicContact CH2-CB 4.26Å; W787-V834 HydrophobicContact CH2-CG1 4.35Å; W787-V834 HydrophobicContact CH2-CG2 4.04Å; W787-V834 HydrophobicContact CZ3-CB 4.12Å; W787-V834 HydrophobicContact CZ3-CG2 4.01Å |
| 788 | R | 96.6 | Very high | 88.7 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | trans | -58 | 133.5 | 167.2 | -175.9 | -174.9 | 178.9 | -124 | 6.9 | 108.2 | W392 G396 E397 P730 R790 A791 E797 Q819 | W392-R788 HydrophobicContact CD2-CB 4.04Å; W392-R788 HydrophobicContact CD2-CG 4.26Å; W392-R788 HydrophobicContact CE3-CB 4.2Å; W392-R788 HydrophobicContact CE3-CG 3.96Å; W392-R788 HydrophobicContact CH2-CB 4.05Å; W392-R788 HydrophobicContact CH2-CG 4.25Å; W392-R788 HydrophobicContact CZ2-CB 3.9Å; W392-R788 HydrophobicContact CZ3-CB 4.17Å; W392-R788 HydrophobicContact CZ3-CG 3.93Å; G396-R788 WeakPolarHBondContact O-CD 3.5Å; G396-R788 PolarHBondContact O-NE 3.24Å; E397-R788 IonicContact OE1-NH2 3.63Å; E397-R788 PolarHBondContact OE1-NH2 3.22Å; P730-R788 WeakPolarHBondContact CG-O 3.45Å; R788-R790 PolarHBondContact NH1-O 3.13Å; R788-R790 PolarHBondContact O-N 2.76Å; R788-A791 PolarHBondContact NH1-O 3.14Å; R788-E797 IonicContact CZ-OE1 3.5Å; R788-E797 IonicContact NH1-OE1 2.73Å; R788-E797 PolarHBondContact NH1-OE1 3.34Å; R788-E797 IonicContact NH2-OE1 2.81Å; R788-E797 PolarHBondContact NH2-OE1 2.82Å; R788-E797 IonicContact NH2-OE2 3.63Å; R788-Q819 HydrophobicContact CB-CB 3.93Å; R788-Q819 PolarHBondContact N-O 3.45Å | ||
| 789 | P | 93 | Very high | 85.9 | Confident | 56 Ų | 56 | 43.5 Ų | 43.5 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -66.4 | -5.1 | -175.6 | 26.2 | -35.5 | 0 | 0 | 0 | 114.4 | ||
| 790 | R | 88.3 | Confident | 83 | Confident | 101 Ų | 101 | 50.8 Ų | 50.8 | 38% | 0.381 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -131.3 | 145.8 | -179.8 | -63 | -177 | 177.1 | 163.8 | -0.7 | 110.9 | E395 R788 | E395-R790 WeakPolarHBondContact O-CD 3.06Å; E395-R790 PolarHBondContact O-NH1 3.12Å; E395-R790 IonicContact OE1-CZ 3.11Å; E395-R790 IonicContact OE1-NH2 2.68Å; E395-R790 PolarHBondContact OE1-NH2 3.02Å; E395-R790 IonicContact OE2-CZ 3.95Å; E395-R790 IonicContact OE2-NH1 3.51Å; E395-R790 PolarHBondContact OE2-NH1 2.98Å; E395-R790 IonicContact OE2-NH2 2.72Å; E395-R790 PolarHBondContact OE2-NH2 3.04Å; R788-R790 PolarHBondContact NH1-O 3.13Å; R788-R790 PolarHBondContact O-N 2.76Å |
| 791 | A | 87.2 | Confident | 80.2 | Confident | 39 Ų | 39 | 55.7 Ų | 55.7 | 32% | 0.322 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -64.9 | 157.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | R788 V818 | R788-A791 PolarHBondContact NH1-O 3.14Å; A791-V818 HydrophobicContact CB-CG1 4.47Å |
| 792 | G | 87.3 | Confident | 77.2 | Confident | 6 Ų | 6 | 63 Ų | 63 | 6% | 0.062 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 103.9 | -163 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K814 W817 | G792-K814 WeakPolarHBondContact CA-O 3.33Å; G792-W817 PolarHBondContact N-O 3.32Å |
| 793 | R | 88.4 | Confident | 74.5 | Confident | 79 Ų | 79 | 64.9 Ų | 64.9 | 30% | 0.298 | 35% | 0.348 | S | S | . | . | trans | -133.2 | 120.8 | -178.3 | -65.9 | 179 | -69.6 | -176.3 | 0.1 | 108.6 | L796 W817 Q819 | R793-L796 HydrophobicContact CB-CB 4.36Å; R793-L796 HydrophobicContact CB-CD1 3.84Å; R793-L796 HydrophobicContact CG-CD1 4.46Å; R793-L796 VanDerWaalsContact CZ-CD1 3.47Å; R793-L796 VanDerWaalsContact NE-CD1 3.32Å; R793-L796 PolarHBondContact O-N 3.15Å; R793-W817 HydrophobicContact CG-CB 3.99Å; R793-W817 HydrophobicContact CG-CG 4.46Å; R793-Q819 HydrophobicContact CG-CG 4.44Å | ||
| 794 | A | 86.6 | Confident | 71.7 | Confident | 4 Ų | 4 | 67.8 Ų | 67.8 | 3% | 0.033 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 141.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | P413 W424 L796 | P413-A794 HydrophobicContact CG-CB 3.72Å; W424-A794 HydrophobicContact CH2-CB 3.97Å; W424-A794 HydrophobicContact CZ2-CB 3.75Å; A794-L796 VanDerWaalsContact C-N 3.29Å; A794-L796 PolarHBondContact O-N 2.69Å |
| 795 | G | 78.2 | Confident | 69.2 | Low | 26 Ų | 26 | 70.7 Ų | 70.7 | 27% | 0.268 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | -5.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | R415 | R415-G795 PolarHBondContact NH2-O 3.35Š|
| 796 | L | 73.7 | Confident | 67 | Low | 67 Ų | 67 | 76.3 Ų | 76.3 | 35% | 0.351 | 43% | 0.429 | S | S | . | . | trans | -107.6 | -1.7 | 177.4 | -74 | 172.2 | 0 | 0 | 0 | 114 | R793 A794 N798 | R793-L796 HydrophobicContact CB-CB 4.36Å; R793-L796 HydrophobicContact CB-CD1 3.84Å; R793-L796 HydrophobicContact CG-CD1 4.46Å; R793-L796 VanDerWaalsContact CZ-CD1 3.47Å; R793-L796 VanDerWaalsContact NE-CD1 3.32Å; R793-L796 PolarHBondContact O-N 3.15Å; A794-L796 VanDerWaalsContact C-N 3.29Å; A794-L796 PolarHBondContact O-N 2.69Å; L796-N798 VanDerWaalsContact C-N 3.3Å; L796-N798 PolarHBondContact O-N 3.04Å | ||
| 797 | E | 57 | Low | 64.9 | Low | 75 Ų | 75 | 79.2 Ų | 79.2 | 35% | 0.35 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -11.2 | -168.4 | -69.8 | -179.8 | -174.1 | 0 | 0 | 114.4 | R788 | R788-E797 IonicContact CZ-OE1 3.5Å; R788-E797 IonicContact NH1-OE1 2.73Å; R788-E797 PolarHBondContact NH1-OE1 3.34Å; R788-E797 IonicContact NH2-OE1 2.81Å; R788-E797 PolarHBondContact NH2-OE1 2.82Å; R788-E797 IonicContact NH2-OE2 3.63Å |
| 798 | N | 44.1 | Very low | 62.9 | Low | 142 Ų | 142 | 85.8 Ų | 85.8 | 76% | 0.759 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.5 | 22.2 | -173.1 | -65.8 | -11.8 | 0 | 0 | 0 | 116.4 | L796 | L796-N798 VanDerWaalsContact C-N 3.3Å; L796-N798 PolarHBondContact O-N 3.04Å |
| 799 | G | 39 | Very low | 60.8 | Low | 49 Ų | 49 | 93.9 Ų | 93.9 | 51% | 0.505 | 51% | 0.514 | S | S | . | . | trans | -88.3 | 104.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | M801 | G799-M801 VanDerWaalsContact C-N 3.25Å; G799-M801 PolarHBondContact O-N 3.03Å | ||
| 800 | E | 36.8 | Very low | 59.2 | Low | 183 Ų | 183 | 94.7 Ų | 94.7 | 86% | 0.855 | 51% | 0.512 | S | S | * | . | trans | -58.3 | 96.8 | 150.6 | -74 | -176 | 159 | 0 | 0 | 106.8 | D802 | E800-D802 PolarHBondContact O-N 2.82Š| ||
| 801 | M | 38.8 | Very low | 57.7 | Low | 165 Ų | 165 | 95.3 Ų | 95.3 | 81% | 0.813 | 52% | 0.522 | S | S | * | . | trans | -76.9 | 98.6 | 160.8 | -81.8 | -160 | -93.7 | 0 | 0 | 106.3 | G799 G803 | G799-M801 VanDerWaalsContact C-N 3.25Å; G799-M801 PolarHBondContact O-N 3.03Å; M801-G803 PolarHBondContact O-N 3.28Å | ||
| 802 | D | 35.5 | Very low | 56.3 | Low | 160 Ų | 160 | 98.7 Ų | 98.7 | 86% | 0.856 | 53% | 0.531 | S | S | * | . | trans | -51.1 | 108.6 | 171.9 | -82.6 | -36.7 | 0 | 0 | 0 | 110.1 | E800 | E800-D802 PolarHBondContact O-N 2.82Š| ||
| 803 | G | 42 | Very low | 55.1 | Low | 39 Ų | 39 | 103 Ų | 103 | 40% | 0.402 | 55% | 0.55 | S | S | . | * | S | Bend | trans | 169.1 | 127.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M801 S805 K810 | M801-G803 PolarHBondContact O-N 3.28Å; G803-S805 VanDerWaalsContact C-N 3.32Å; G803-S805 PolarHBondContact O-N 3.43Å; G803-K810 PolarHBondContact O-NZ 3.02Å |
| 804 | P | 39.6 | Very low | 53.8 | Low | 146 Ų | 146 | 104.2 Ų | 104.2 | 95% | 0.948 | 56% | 0.557 | S | S | * | * | trans | -75 | 88.3 | 176.3 | 32.2 | -30.8 | 0 | 0 | 0 | 108.2 | ||||
| 805 | S | 46.9 | Very low | 52.8 | Low | 74 Ų | 74 | 106.9 Ų | 106.9 | 52% | 0.517 | 58% | 0.575 | S | S | . | * | trans | -139.2 | 138.8 | 168 | 60.7 | 0 | 0 | 0 | 0 | 110 | G803 T807 K810 | G803-S805 VanDerWaalsContact C-N 3.32Å; G803-S805 PolarHBondContact O-N 3.43Å; S805-T807 PolarHBondContact O-N 3.25Å; S805-K810 WeakPolarHBondContact O-CE 3.34Å; S805-K810 PolarHBondContact O-NZ 3.38Å; S805-K810 WeakPolarHBondContact OG-CE 3.35Å; S805-K810 PolarHBondContact OG-NZ 3.33Å | ||
| 806 | D | 51.2 | Low | 53 | Low | 121 Ų | 121 | 106 Ų | 106 | 65% | 0.647 | 57% | 0.566 | S | S | * | * | trans | -38 | 120.4 | -165 | -68 | -45.8 | 0 | 0 | 0 | 114.9 | E808 R809 K810 | D806-E808 PolarHBondContact O-N 2.8Å; D806-R809 HydrophobicContact CB-CB 4.22Å; D806-R809 PolarHBondContact O-N 3.19Å; D806-K810 PolarHBondContact O-N 3.33Å | ||
| 807 | T | 56 | Low | 53.8 | Low | 112 Ų | 112 | 104.3 Ų | 104.3 | 69% | 0.687 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -56.3 | -33.7 | 178.4 | -21.7 | 0 | 0 | 0 | 0 | 112 | S805 L811 | S805-T807 PolarHBondContact O-N 3.25Å; T807-L811 WeakPolarHBondContact O-CD1 3.43Å; T807-L811 WeakPolarHBondContact O-CG 3.28Å; T807-L811 PolarHBondContact O-N 2.86Å; T807-L811 VanDerWaalsContact O-N 3.11Å |
| 808 | E | 54 | Low | 55.5 | Low | 156 Ų | 156 | 100.9 Ų | 100.9 | 73% | 0.729 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.8 | -48 | 178.3 | -68.3 | -175.2 | 161.8 | 0 | 0 | 112.3 | D806 K810 L811 E812 | D806-E808 PolarHBondContact O-N 2.8Å; E808-K810 VanDerWaalsContact C-N 3.25Å; E808-K810 PolarHBondContact O-N 3.44Å; E808-L811 PolarHBondContact O-N 3.38Å; E808-L811 VanDerWaalsContact O-N 3.15Å; E808-E812 WeakPolarHBondContact O-CG 3.45Å; E808-E812 PolarHBondContact O-N 2.93Å |
| 809 | R | 54.1 | Low | 58 | Low | 171 Ų | 171 | 94.1 Ų | 94.1 | 65% | 0.645 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.8 | -35.8 | 178.6 | -166.1 | 175.9 | 179.9 | 170.8 | 2.7 | 111.8 | D806 E813 | D806-R809 HydrophobicContact CB-CB 4.22Å; D806-R809 PolarHBondContact O-N 3.19Å; R809-E813 PolarHBondContact O-N 3.21Å |
| 810 | K | 58.1 | Low | 60.8 | Low | 74 Ų | 74 | 91.9 Ų | 91.9 | 32% | 0.322 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.6 | -41.9 | 175.1 | -72.2 | 175.6 | 177.1 | 167.4 | 0 | 112.6 | G803 S805 D806 E808 K814 | G803-K810 PolarHBondContact O-NZ 3.02Å; S805-K810 WeakPolarHBondContact O-CE 3.34Å; S805-K810 PolarHBondContact O-NZ 3.38Å; S805-K810 WeakPolarHBondContact OG-CE 3.35Å; S805-K810 PolarHBondContact OG-NZ 3.33Å; D806-K810 PolarHBondContact O-N 3.33Å; E808-K810 VanDerWaalsContact C-N 3.25Å; E808-K810 PolarHBondContact O-N 3.44Å; K810-K814 WeakPolarHBondContact O-CG 3.47Å; K810-K814 PolarHBondContact O-N 3.12Å |
| 811 | L | 57.4 | Low | 63.7 | Low | 114 Ų | 114 | 83.2 Ų | 83.2 | 60% | 0.597 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66 | -42.3 | 176.3 | -78.9 | 160.7 | 0 | 0 | 0 | 111.4 | T807 E808 K814 S815 | T807-L811 WeakPolarHBondContact O-CD1 3.43Å; T807-L811 WeakPolarHBondContact O-CG 3.28Å; T807-L811 PolarHBondContact O-N 2.86Å; T807-L811 VanDerWaalsContact O-N 3.11Å; E808-L811 PolarHBondContact O-N 3.38Å; E808-L811 VanDerWaalsContact O-N 3.15Å; L811-K814 PolarHBondContact O-N 3.29Å; L811-S815 WeakPolarHBondContact O-CB 3.33Å; L811-S815 PolarHBondContact O-N 3.36Å |
| 812 | E | 58.1 | Low | 66.6 | Low | 110 Ų | 110 | 75.3 Ų | 75.3 | 51% | 0.514 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66 | -39.9 | 176.9 | -66.4 | -172.4 | 160.3 | 0 | 0 | 112.3 | E808 S815 S816 R837 | E808-E812 WeakPolarHBondContact O-CG 3.45Å; E808-E812 PolarHBondContact O-N 2.93Å; E812-S815 PolarHBondContact O-N 3.27Å; E812-S815 PolarHBondContact O-OG 2.71Å; E812-S816 PolarHBondContact O-N 3.25Å; E812-R837 IonicContact OE2-NH2 3.79Å; E812-R837 PolarHBondContact OE2-NH2 3.41Å |
| 813 | E | 61.8 | Low | 69.6 | Low | 97 Ų | 97 | 67.7 Ų | 67.7 | 45% | 0.453 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.9 | -43.7 | 172.8 | -81.4 | -179 | -176.8 | 0 | 0 | 112.3 | R809 S815 S816 | R809-E813 PolarHBondContact O-N 3.21Å; E813-S815 VanDerWaalsContact C-N 3.35Å; E813-S815 PolarHBondContact O-N 3.44Å; E813-S816 WeakPolarHBondContact O-CB 3.37Å; E813-S816 PolarHBondContact O-N 3.23Å; E813-S816 PolarHBondContact O-OG 3.48Å |
| 814 | K | 61.3 | Low | 72.3 | Confident | 104 Ų | 104 | 65.9 Ų | 65.9 | 45% | 0.452 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.7 | -41.1 | 174.5 | -76.5 | -176.6 | 177.9 | -174.9 | 0 | 112.7 | G792 K810 L811 S816 W817 | G792-K814 WeakPolarHBondContact CA-O 3.33Å; K810-K814 WeakPolarHBondContact O-CG 3.47Å; K810-K814 PolarHBondContact O-N 3.12Å; L811-K814 PolarHBondContact O-N 3.29Å; K814-S816 PolarHBondContact O-N 3.39Å; K814-W817 PolarHBondContact O-N 2.92Å |
| 815 | S | 65.1 | Low | 75.1 | Confident | 59 Ų | 59 | 59.7 Ų | 59.7 | 41% | 0.413 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -69.9 | -15.9 | -179.4 | 76.8 | 0 | 0 | 0 | 0 | 114.6 | L811 E812 E813 K836 | L811-S815 WeakPolarHBondContact O-CB 3.33Å; L811-S815 PolarHBondContact O-N 3.36Å; E812-S815 PolarHBondContact O-N 3.27Å; E812-S815 PolarHBondContact O-OG 2.71Å; E813-S815 VanDerWaalsContact C-N 3.35Å; E813-S815 PolarHBondContact O-N 3.44Å; S815-K836 WeakPolarHBondContact O-CE 3.3Å; S815-K836 PolarHBondContact O-NZ 3.4Å |
| 816 | S | 82.1 | Confident | 77.5 | Confident | 9 Ų | 9 | 56.4 Ų | 56.4 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -75.6 | -24 | -179.9 | 71.5 | 0 | 0 | 0 | 0 | 113.4 | E812 E813 K814 K836 | E812-S816 PolarHBondContact O-N 3.25Å; E813-S816 WeakPolarHBondContact O-CB 3.37Å; E813-S816 PolarHBondContact O-N 3.23Å; E813-S816 PolarHBondContact O-OG 3.48Å; K814-S816 PolarHBondContact O-N 3.39Å; S816-K836 WeakPolarHBondContact O-CB 3.45Å; S816-K836 WeakPolarHBondContact O-CG 3.35Å; S816-K836 PolarHBondContact O-N 2.97Å |
| 817 | W | 89.9 | Confident | 79.7 | Confident | 31 Ų | 31 | 52.2 Ų | 52.2 | 12% | 0.117 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 142.3 | 178.7 | -67.9 | 91.7 | 0 | 0 | 0 | 111.5 | G792 R793 K814 N833 V834 N835 | G792-W817 PolarHBondContact N-O 3.32Å; R793-W817 HydrophobicContact CG-CB 3.99Å; R793-W817 HydrophobicContact CG-CG 4.46Å; K814-W817 PolarHBondContact O-N 2.92Å; W817-N833 HydrophobicContact CE3-CB 3.79Å; W817-N833 HydrophobicContact CZ3-CB 3.84Å; W817-V834 WeakPolarHBondContact CA-O 3.41Å; W817-N835 HydrophobicContact CD2-CB 4.2Å; W817-N835 HydrophobicContact CE3-CB 3.89Å; W817-N835 HydrophobicContact CH2-CB 3.73Å; W817-N835 HydrophobicContact CZ2-CB 3.99Å; W817-N835 HydrophobicContact CZ3-CB 3.66Å |
| 818 | V | 93.9 | Very high | 81.7 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 156.4 | 169.2 | -70.7 | 0 | 0 | 0 | 0 | 108.7 | W787 A791 V834 K836 | W787-V818 HydrophobicContact CE3-CB 4.19Å; W787-V818 HydrophobicContact CE3-CG2 3.98Å; W787-V818 HydrophobicContact CH2-CG2 4.26Å; W787-V818 HydrophobicContact CZ3-CB 4.14Å; W787-V818 HydrophobicContact CZ3-CG2 3.47Å; W787-V818 VanDerWaalsContact CZ3-CG2 3.47Å; A791-V818 HydrophobicContact CB-CG1 4.47Å; V818-V834 HydrophobicContact CG2-CB 4.06Å; V818-V834 HydrophobicContact CG2-CG1 4.5Å; V818-V834 PolarHBondContact N-O 3.47Å; V818-V834 PolarHBondContact O-N 3.37Å; V818-K836 HydrophobicContact CG1-CD 3.93Å; V818-K836 HydrophobicContact CG1-CG 4.46Å; V818-K836 HydrophobicContact CG2-CD 4.21Å; V818-K836 HydrophobicContact CG2-CG 3.97Å |
| 819 | Q | 96.1 | Very high | 83.8 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 136 | 179.6 | -76.3 | -177.4 | -43.7 | 0 | 0 | 111.8 | W392 W787 R788 R793 F832 N833 | W392-Q819 HydrophobicContact CH2-CB 4.24Å; W392-Q819 HydrophobicContact CZ2-CB 4.21Å; W787-Q819 CarbonylContact C-O 3.57Å; W787-Q819 WeakPolarHBondContact CA-O 3.27Å; R788-Q819 HydrophobicContact CB-CB 3.93Å; R788-Q819 PolarHBondContact N-O 3.45Å; R793-Q819 HydrophobicContact CG-CG 4.44Å; Q819-F832 CarbonylContact C-O 3.57Å; Q819-F832 VanDerWaalsContact CA-O 3.25Å; Q819-F832 WeakPolarHBondContact CA-O 3.47Å; Q819-N833 VanDerWaalsContact CG-OD1 3.31Å; Q819-N833 WeakPolarHBondContact CG-OD1 3.22Å; Q819-N833 PolarHBondContact NE2-OD1 2.71Å |
| 820 | L | 97.9 | Very high | 85.9 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 124.6 | 176.9 | 179.6 | 62.7 | 0 | 0 | 0 | 109.1 | A741 I749 L785 W787 I831 F832 | A741-L820 HydrophobicContact CB-CD1 4.35Å; A741-L820 HydrophobicContact CB-CD2 3.74Å; I749-L820 HydrophobicContact CG2-CD2 4.03Å; L785-L820 HydrophobicContact CB-CD1 4.25Å; L785-L820 HydrophobicContact CD2-CD1 4.27Å; L785-L820 HydrophobicContact CD2-CD2 4.21Å; L785-L820 HydrophobicContact CD2-CG 4.33Å; W787-L820 HydrophobicContact CD2-CB 4.29Å; W787-L820 HydrophobicContact CD2-CD1 3.81Å; W787-L820 HydrophobicContact CE3-CB 3.8Å; W787-L820 HydrophobicContact CE3-CD1 4.21Å; W787-L820 HydrophobicContact CG-CD1 4.06Å; W787-L820 HydrophobicContact CH2-CB 4.19Å; W787-L820 HydrophobicContact CH2-CD2 4.33Å; W787-L820 HydrophobicContact CZ2-CD1 4.37Å; W787-L820 HydrophobicContact CZ2-CD2 4.35Å; W787-L820 HydrophobicContact CZ3-CB 3.72Å; L820-I831 CarbonylContact O-C 3.56Å; L820-I831 WeakPolarHBondContact O-CA 3.5Å; L820-F832 PolarHBondContact N-O 3.37Å; L820-F832 PolarHBondContact O-N 3.29Å |
| 821 | A | 98.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 140.1 | 169 | 0 | 0 | 0 | 0 | 0 | 110.1 | L390 W392 V399 L785 R786 K830 I831 | L390-A821 HydrophobicContact CD1-CB 3.96Å; L390-A821 HydrophobicContact CD2-CB 4.05Å; W392-A821 HydrophobicContact CZ2-CB 3.89Å; V399-A821 HydrophobicContact CG1-CB 4.46Å; V399-A821 HydrophobicContact CG2-CB 4.29Å; L785-A821 WeakPolarHBondContact CA-O 3.49Å; R786-A821 PolarHBondContact N-O 2.7Å; R786-A821 PolarHBondContact O-N 3.26Å; A821-K830 CarbonylContact C-O 3.53Å; A821-K830 WeakPolarHBondContact CA-O 3.36Å; A821-I831 HydrophobicContact CB-CG1 4.44Å |
| 822 | S | 98.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 140.9 | 176.8 | 64.5 | 0 | 0 | 0 | 0 | 112.5 | H778 R784 V829 K830 F832 | H778-S822 WeakPolarHBondContact NE2-CB 3.46Å; H778-S822 PolarHBondContact NE2-OG 3.37Å; R784-S822 VanDerWaalsContact O-CA 3.31Å; R784-S822 WeakPolarHBondContact O-CA 3.43Å; S822-V829 WeakPolarHBondContact O-CA 3.05Å; S822-K830 PolarHBondContact N-O 3.49Å; S822-K830 PolarHBondContact O-N 3.27Å; S822-F832 WeakPolarHBondContact OG-CE2 3.49Å |
| 823 | A | 98.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109 | V387 L390 K783 R784 | V387-A823 HydrophobicContact CB-CB 3.93Å; V387-A823 HydrophobicContact CG1-CB 3.61Å; L390-A823 HydrophobicContact CD2-CB 3.82Å; L390-A823 HydrophobicContact CG-CB 4.11Å; K783-A823 HydrophobicContact CB-CB 4.4Å; K783-A823 PolarHBondContact N-O 3.25Å; R784-A823 HydrophobicContact CB-CB 3.89Å; R784-A823 PolarHBondContact N-O 3.19Å; R784-A823 PolarHBondContact O-N 3.01Å |
| 824 | G | 98.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 146 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V387 H778 D826 H827 S828 | V387-G824 PolarHBondContact N-O 2.81Å; V387-G824 VanDerWaalsContact N-O 3.1Å; H778-G824 WeakPolarHBondContact ND1-CA 2.94Å; G824-D826 PolarHBondContact O-N 3.39Å; G824-H827 PolarHBondContact O-N 2.96Å; G824-S828 PolarHBondContact N-O 3.26Å |
| 825 | A | 98.4 | Very high | 94.3 | Very high | 16 Ų | 16 | 9.1 Ų | 9.1 | 13% | 0.132 | 5% | 0.053 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -12.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L780 A781 K783 H827 | L780-A825 HydrophobicContact CB-CB 3.78Å; A781-A825 HydrophobicContact CB-CB 4.33Å; A781-A825 WeakPolarHBondContact O-CB 3.47Å; A781-A825 PolarHBondContact O-N 2.82Å; K783-A825 HydrophobicContact CG-CB 4.29Å; A825-H827 PolarHBondContact O-CD2 3.49Å; A825-H827 VanDerWaalsContact O-CD2 3.24Å; A825-H827 PolarHBondContact O-N 2.9Å |
| 826 | D | 97.7 | Very high | 95.3 | Very high | 5 Ų | 5 | 7.5 Ų | 7.5 | 3% | 0.027 | 4% | 0.039 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 19.5 | 172.8 | 68.4 | -5.9 | 0 | 0 | 0 | 113.7 | C35 H778 T779 L780 G824 S828 | C35-D826 HydrophobicContact CB-CB 4.27Å; C35-D826 VanDerWaalsContact CB-O 3.28Å; C35-D826 WeakPolarHBondContact CB-O 3.22Å; H778-D826 WeakPolarHBondContact CA-OD2 3.18Å; H778-D826 VanDerWaalsContact CB-OD2 3.28Å; H778-D826 WeakPolarHBondContact CB-OD2 3.37Å; H778-D826 IonicContact CE1-OD1 3.52Å; H778-D826 IonicContact CG-OD1 3.15Å; H778-D826 IonicContact CG-OD2 2.79Å; H778-D826 IonicContact ND1-OD1 3.92Å; H778-D826 PolarHBondContact ND1-OD1 3.39Å; H778-D826 IonicContact ND1-OD2 3.76Å; H778-D826 PolarHBondContact ND1-OD2 3.15Å; T779-D826 PolarHBondContact N-OD2 2.95Å; T779-D826 VanDerWaalsContact OG1-CB 3.24Å; T779-D826 WeakPolarHBondContact OG1-CB 3.42Å; L780-D826 HydrophobicContact CB-CB 4.13Å; L780-D826 HydrophobicContact CD1-CB 4.4Å; L780-D826 HydrophobicContact CG-CB 4.25Å; G824-D826 PolarHBondContact O-N 3.39Å; D826-S828 PolarHBondContact O-N 3.45Å; D826-S828 PolarHBondContact OD1-N 3.41Å; D826-S828 PolarHBondContact OD1-OG 2.83Å |
| 827 | H | 97.6 | Very high | 95.1 | Very high | 33 Ų | 33 | 13 Ų | 13 | 15% | 0.153 | 6% | 0.058 | C | C | . | . | S | Bend | trans | 69.7 | 7.7 | 175.6 | -40.2 | 170 | 0 | 0 | 0 | 114.2 | F384 N385 A386 G824 A825 | F384-H827 PolarHBondContact O-CE1 3.49Å; F384-H827 PolarHBondContact O-ND1 3.39Å; N385-H827 VanDerWaalsContact C-CG 3.41Å; N385-H827 WeakPolarHBondContact O-CA 3.06Å; N385-H827 WeakPolarHBondContact O-CB 3.1Å; A386-H827 PolarHBondContact N-CD2 2.93Å; G824-H827 PolarHBondContact O-N 2.96Å; A825-H827 PolarHBondContact O-CD2 3.49Å; A825-H827 VanDerWaalsContact O-CD2 3.24Å; A825-H827 PolarHBondContact O-N 2.9Å |
| 828 | S | 97.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 14.2 Ų | 14.2 | 3% | 0.028 | 7% | 0.069 | C | C | . | . | trans | -104.1 | 145.7 | -176.6 | 71.1 | 0 | 0 | 0 | 0 | 113.5 | A12 H778 G824 D826 K830 | A12-S828 VanDerWaalsContact O-CA 3.25Å; A12-S828 WeakPolarHBondContact O-CA 3.36Å; A12-S828 WeakPolarHBondContact O-CB 3.47Å; H778-S828 PolarHBondContact CE1-OG 3Å; H778-S828 VanDerWaalsContact CE1-OG 3.27Å; H778-S828 PolarHBondContact ND1-OG 3.33Å; G824-S828 PolarHBondContact N-O 3.26Å; D826-S828 PolarHBondContact O-N 3.45Å; D826-S828 PolarHBondContact OD1-N 3.41Å; D826-S828 PolarHBondContact OD1-OG 2.83Å; S828-K830 WeakPolarHBondContact OG-CE 3.4Å | ||
| 829 | V | 98.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 127.1 | 160.9 | -179.2 | 0 | 0 | 0 | 0 | 107.5 | V11 A12 V387 L390 F411 S822 | V11-V829 WeakPolarHBondContact CA-O 3.23Å; A12-V829 HydrophobicContact CB-CB 4.1Å; A12-V829 PolarHBondContact N-O 3.44Å; A12-V829 PolarHBondContact O-N 3.19Å; A12-V829 VanDerWaalsContact O-N 3.09Å; V387-V829 HydrophobicContact CG1-CG2 3.98Å; V387-V829 HydrophobicContact CG2-CG2 4.06Å; L390-V829 HydrophobicContact CD2-CG1 4.17Å; F411-V829 HydrophobicContact CE2-CG2 4.44Å; S822-V829 WeakPolarHBondContact O-CA 3.05Å |
| 830 | K | 98.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 141.8 | 177.3 | -58.2 | -178.1 | 177.6 | -175.9 | 0 | 110.5 | H10 V11 L51 Q776 S777 A821 S822 S828 F832 | H10-K830 WeakPolarHBondContact O-CA 3.04Å; V11-K830 HydrophobicContact CG1-CG 4.37Å; V11-K830 HydrophobicContact CG2-CG 4.28Å; L51-K830 VanDerWaalsContact CD1-NZ 3.29Å; Q776-K830 PolarHBondContact O-NZ 3.46Å; S777-K830 VanDerWaalsContact C-NZ 3.26Å; S777-K830 PolarHBondContact O-NZ 3.28Å; A821-K830 CarbonylContact C-O 3.53Å; A821-K830 WeakPolarHBondContact CA-O 3.36Å; S822-K830 PolarHBondContact N-O 3.49Å; S822-K830 PolarHBondContact O-N 3.27Å; S828-K830 WeakPolarHBondContact OG-CE 3.4Å; K830-F832 HydrophobicContact CB-CE1 4.4Å; K830-F832 HydrophobicContact CB-CE2 3.66Å; K830-F832 HydrophobicContact CB-CZ 3.6Å; K830-F832 HydrophobicContact CD-CZ 3.81Å; K830-F832 HydrophobicContact CG-CZ 4.35Å |
| 831 | I | 97.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 126.4 | 173.4 | -56.1 | 176.2 | 0 | 0 | 0 | 107.9 | C9 H10 W392 V399 W424 L820 A821 | C9-I831 WeakPolarHBondContact CA-O 3.49Å; C9-I831 HydrophobicContact CB-CG2 4.37Å; C9-I831 VanDerWaalsContact CB-O 3.27Å; C9-I831 WeakPolarHBondContact CB-O 3.44Å; C9-I831 PolarHBondContact N-O 2.89Å; H10-I831 HydrophobicContact CB-CB 4.15Å; H10-I831 HydrophobicContact CB-CD1 4.36Å; H10-I831 HydrophobicContact CB-CG1 4.4Å; H10-I831 PolarHBondContact N-O 3.03Å; H10-I831 PolarHBondContact O-N 3.45Å; W392-I831 HydrophobicContact CH2-CG2 4.37Å; W392-I831 HydrophobicContact CZ2-CG2 4.42Å; V399-I831 HydrophobicContact CG2-CD1 4.29Å; W424-I831 HydrophobicContact CD2-CD1 3.6Å; W424-I831 HydrophobicContact CE3-CD1 3.41Å; W424-I831 VanDerWaalsContact CE3-CD1 3.41Å; W424-I831 HydrophobicContact CG-CD1 4.37Å; W424-I831 HydrophobicContact CH2-CD1 3.69Å; W424-I831 HydrophobicContact CZ2-CD1 3.84Å; W424-I831 HydrophobicContact CZ2-CG2 4.31Å; W424-I831 HydrophobicContact CZ3-CD1 3.46Å; W424-I831 VanDerWaalsContact CZ3-CD1 3.46Å; L820-I831 CarbonylContact O-C 3.56Å; L820-I831 WeakPolarHBondContact O-CA 3.5Å; A821-I831 HydrophobicContact CB-CG1 4.44Å |
| 832 | F | 96.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 18 Ų | 18 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 138.7 | -179.8 | -54.1 | -83 | 0 | 0 | 0 | 110.7 | I6 E7 T8 I749 T772 Q776 Q819 L820 S822 K830 V834 | I6-F832 HydrophobicContact CG2-CB 3.87Å; I6-F832 HydrophobicContact CG2-CD1 3.74Å; I6-F832 HydrophobicContact CG2-CG 4.03Å; E7-F832 CarbonylContact O-C 3.53Å; E7-F832 VanDerWaalsContact O-CA 3.28Å; E7-F832 WeakPolarHBondContact O-CA 2.99Å; T8-F832 HydrophobicContact CG2-CE1 4.29Å; I749-F832 HydrophobicContact CD1-CD2 4.38Å; I749-F832 HydrophobicContact CD1-CE2 3.6Å; I749-F832 HydrophobicContact CD1-CZ 4.12Å; T772-F832 HydrophobicContact CG2-CE1 4.08Å; T772-F832 HydrophobicContact CG2-CZ 4.2Å; Q776-F832 HydrophobicContact CB-CE1 4.36Å; Q819-F832 CarbonylContact C-O 3.57Å; Q819-F832 VanDerWaalsContact CA-O 3.25Å; Q819-F832 WeakPolarHBondContact CA-O 3.47Å; L820-F832 PolarHBondContact N-O 3.37Å; L820-F832 PolarHBondContact O-N 3.29Å; S822-F832 WeakPolarHBondContact OG-CE2 3.49Å; K830-F832 HydrophobicContact CB-CE1 4.4Å; K830-F832 HydrophobicContact CB-CE2 3.66Å; K830-F832 HydrophobicContact CB-CZ 3.6Å; K830-F832 HydrophobicContact CD-CZ 3.81Å; K830-F832 HydrophobicContact CG-CZ 4.35Å; F832-V834 HydrophobicContact CB-CG2 4.49Å |
| 833 | N | 94.2 | Very high | 92.5 | Very high | 11 Ų | 11 | 19.1 Ų | 19.1 | 6% | 0.059 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 129.6 | 162.1 | -57.9 | -43.3 | 0 | 0 | 0 | 108 | E7 W817 Q819 | E7-N833 HydrophobicContact CB-CB 4.33Å; E7-N833 PolarHBondContact N-O 2.82Å; E7-N833 PolarHBondContact O-N 3.49Å; W817-N833 HydrophobicContact CE3-CB 3.79Å; W817-N833 HydrophobicContact CZ3-CB 3.84Å; Q819-N833 VanDerWaalsContact CG-OD1 3.31Å; Q819-N833 WeakPolarHBondContact CG-OD1 3.22Å; Q819-N833 PolarHBondContact NE2-OD1 2.71Å |
| 834 | V | 93.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 127.7 | 178.7 | 179.6 | 0 | 0 | 0 | 0 | 109.2 | I5 I6 L751 W787 W817 V818 F832 L839 | I5-V834 WeakPolarHBondContact O-CA 3.28Å; I6-V834 HydrophobicContact CG1-CG2 4.38Å; L751-V834 HydrophobicContact CD1-CG1 3.56Å; L751-V834 HydrophobicContact CD1-CG2 4.26Å; W787-V834 HydrophobicContact CH2-CB 4.26Å; W787-V834 HydrophobicContact CH2-CG1 4.35Å; W787-V834 HydrophobicContact CH2-CG2 4.04Å; W787-V834 HydrophobicContact CZ3-CB 4.12Å; W787-V834 HydrophobicContact CZ3-CG2 4.01Å; W817-V834 WeakPolarHBondContact CA-O 3.41Å; V818-V834 HydrophobicContact CG2-CB 4.06Å; V818-V834 HydrophobicContact CG2-CG1 4.5Å; V818-V834 PolarHBondContact N-O 3.47Å; V818-V834 PolarHBondContact O-N 3.37Å; F832-V834 HydrophobicContact CB-CG2 4.49Å; V834-L839 HydrophobicContact CG1-CD1 3.8Å |
| 835 | N | 90.3 | Very high | 91.7 | Very high | 15 Ų | 15 | 21.6 Ų | 21.6 | 8% | 0.08 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 112.5 | 179.2 | -172.9 | -20.9 | 0 | 0 | 0 | 110.9 | I5 W817 R837 T838 L839 | I5-N835 PolarHBondContact O-N 3.01Å; W817-N835 HydrophobicContact CD2-CB 4.2Å; W817-N835 HydrophobicContact CE3-CB 3.89Å; W817-N835 HydrophobicContact CH2-CB 3.73Å; W817-N835 HydrophobicContact CZ2-CB 3.99Å; W817-N835 HydrophobicContact CZ3-CB 3.66Å; N835-R837 VanDerWaalsContact C-N 3.29Å; N835-R837 PolarHBondContact O-N 3.23Å; N835-R837 WeakPolarHBondContact OD1-CB 3.38Å; N835-R837 PolarHBondContact OD1-N 3.32Å; N835-T838 WeakPolarHBondContact CB-OG1 3.4Å; N835-T838 PolarHBondContact O-OG1 2.86Å; N835-L839 WeakPolarHBondContact O-CG 3.2Å |
| 836 | K | 86.4 | Confident | 91.3 | Very high | 25 Ų | 25 | 22 Ų | 22 | 11% | 0.109 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -19 | -179.9 | -61.3 | -172.9 | -63 | 175 | 0 | 114.7 | S731 L732 L739 S815 S816 V818 | S731-K836 PolarHBondContact OG-NZ 3.45Å; L732-K836 PolarHBondContact O-NZ 2.78Å; L739-K836 HydrophobicContact CD2-CG 4.3Å; S815-K836 WeakPolarHBondContact O-CE 3.3Å; S815-K836 PolarHBondContact O-NZ 3.4Å; S816-K836 WeakPolarHBondContact O-CB 3.45Å; S816-K836 WeakPolarHBondContact O-CG 3.35Å; S816-K836 PolarHBondContact O-N 2.97Å; V818-K836 HydrophobicContact CG1-CD 3.93Å; V818-K836 HydrophobicContact CG1-CG 4.46Å; V818-K836 HydrophobicContact CG2-CD 4.21Å; V818-K836 HydrophobicContact CG2-CG 3.97Å |
| 837 | R | 78.6 | Confident | 90.8 | Very high | 126 Ų | 126 | 23.3 Ų | 23.3 | 48% | 0.475 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -26.4 | -179 | -75.1 | 174.8 | 170.9 | -174 | -8 | 113 | E812 N835 L839 | E812-R837 IonicContact OE2-NH2 3.79Å; E812-R837 PolarHBondContact OE2-NH2 3.41Å; N835-R837 VanDerWaalsContact C-N 3.29Å; N835-R837 PolarHBondContact O-N 3.23Å; N835-R837 WeakPolarHBondContact OD1-CB 3.38Å; N835-R837 PolarHBondContact OD1-N 3.32Å; R837-L839 VanDerWaalsContact C-N 3.34Å |
| 838 | T | 76.3 | Confident | 90.2 | Very high | 55 Ų | 55 | 22.5 Ų | 22.5 | 34% | 0.337 | 11% | 0.106 | S | C | . | . | trans | -89.3 | -7 | 178 | 51 | 0 | 0 | 0 | 0 | 112.6 | A3 N835 | A3-T838 HydrophobicContact CB-CG2 4.31Å; N835-T838 WeakPolarHBondContact CB-OG1 3.4Å; N835-T838 PolarHBondContact O-OG1 2.86Å | ||
| 839 | L | 73.5 | Confident | 89.5 | Confident | 31 Ų | 31 | 24.2 Ų | 24.2 | 16% | 0.162 | 11% | 0.113 | C | C | . | . | trans | -84.9 | 0 | 177 | -80.9 | 174.5 | 0 | 0 | 0 | 112.7 | I5 L739 L751 R753 G769 V834 N835 R837 | I5-L839 HydrophobicContact CG2-CD2 3.46Å; I5-L839 VanDerWaalsContact CG2-CD2 3.46Å; I5-L839 HydrophobicContact CG2-CG 3.73Å; L739-L839 HydrophobicContact CD1-CD1 3.77Å; L739-L839 HydrophobicContact CD2-CD1 3.76Å; L739-L839 HydrophobicContact CG-CD1 4.44Å; L751-L839 HydrophobicContact CB-CD2 4.37Å; L751-L839 HydrophobicContact CD1-CD1 4.41Å; L751-L839 HydrophobicContact CD1-CD2 4.17Å; R753-L839 VanDerWaalsContact CD-OXT 3.28Å; R753-L839 WeakPolarHBondContact CD-OXT 3.31Å; R753-L839 PolarHBondContact NH1-O 3.06Å; R753-L839 PolarHBondContact NH1-OXT 3.02Å; G769-L839 VanDerWaalsContact CA-CD2 3.41Å; G769-L839 WeakPolarHBondContact O-CD2 3.18Å; V834-L839 HydrophobicContact CG1-CD1 3.8Å; N835-L839 WeakPolarHBondContact O-CG 3.2Å; R837-L839 VanDerWaalsContact C-N 3.34Å |
Retrieved 839 of 839 residues in 749.7 ms
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