| 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 | 65.8 | Low | 83.5 | Confident | 196 Ų | 196 | 87.8 Ų | 87.8 | 97% | 0.966 | 43% | 0.426 | S | S | * | . | 0 | -55.4 | 0 | -161.5 | 174 | -75.8 | 0 | 0 | 111.7 | N3 W4 M5 | M1-N3 PolarHBondContact O-N 3.41Å; M1-W4 WeakPolarHBondContact O-CB 3.48Å; M1-W4 PolarHBondContact O-N 3.39Å; M1-W4 VanDerWaalsContact O-N 3.11Å; M1-M5 PolarHBondContact O-N 3.15Å | |||
| 2 | V | 77.8 | Confident | 83.6 | Confident | 62 Ų | 62 | 86.8 Ų | 86.8 | 38% | 0.376 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.2 | -43.7 | -177.2 | -167.3 | 0 | 0 | 0 | 0 | 113.8 | W4 M5 N6 L32 V106 Y107 | V2-W4 VanDerWaalsContact C-N 3.26Å; V2-W4 PolarHBondContact O-N 2.72Å; V2-M5 WeakPolarHBondContact O-CB 3.46Å; V2-M5 PolarHBondContact O-N 2.79Å; V2-N6 PolarHBondContact O-N 2.95Å; V2-L32 HydrophobicContact CG1-CD2 4.34Å; V2-V106 WeakPolarHBondContact CG1-O 3.2Å; V2-Y107 VanDerWaalsContact CG1-O 3.28Å; V2-Y107 WeakPolarHBondContact CG1-O 3.27Å |
| 3 | N | 77 | Confident | 83.7 | Confident | 119 Ų | 119 | 88.6 Ų | 88.6 | 64% | 0.636 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -57.4 | -37.7 | 176.4 | -72.1 | -10.9 | 0 | 0 | 0 | 113.2 | M1 N6 T7 | M1-N3 PolarHBondContact O-N 3.41Å; N3-N6 WeakPolarHBondContact O-CB 3.37Å; N3-N6 PolarHBondContact O-N 3.11Å; N3-T7 PolarHBondContact O-N 2.86Å; N3-T7 VanDerWaalsContact O-N 3.15Å; N3-T7 PolarHBondContact O-OG1 2.95Å |
| 4 | W | 84.2 | Confident | 83.7 | Confident | 170 Ų | 170 | 92.1 Ų | 92.1 | 64% | 0.644 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -67.4 | -42.4 | 176.1 | 175.3 | -105.5 | 0 | 0 | 0 | 111.5 | M1 V2 N6 T7 L8 | M1-W4 WeakPolarHBondContact O-CB 3.48Å; M1-W4 PolarHBondContact O-N 3.39Å; M1-W4 VanDerWaalsContact O-N 3.11Å; V2-W4 VanDerWaalsContact C-N 3.26Å; V2-W4 PolarHBondContact O-N 2.72Å; W4-N6 PolarHBondContact O-N 2.94Å; W4-T7 WeakPolarHBondContact O-CB 3.19Å; W4-T7 PolarHBondContact O-N 2.92Å; W4-T7 VanDerWaalsContact O-N 3.12Å; W4-L8 HydrophobicContact CZ2-CD2 4.25Å; W4-L8 PolarHBondContact O-N 3.37Å |
| 5 | M | 86.2 | Confident | 84 | Confident | 33 Ų | 33 | 86.6 Ų | 86.6 | 16% | 0.163 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.7 | -32.2 | 174.2 | -64.1 | -177.2 | 73.1 | 0 | 0 | 112.2 | M1 V2 L8 R9 H29 I31 L32 Y107 | M1-M5 PolarHBondContact O-N 3.15Å; V2-M5 WeakPolarHBondContact O-CB 3.46Å; V2-M5 PolarHBondContact O-N 2.79Å; M5-L8 PolarHBondContact O-N 3Å; M5-R9 WeakPolarHBondContact O-CB 3.04Å; M5-R9 PolarHBondContact O-N 2.91Å; M5-H29 HydrophobicContact CE-CB 3.74Å; M5-H29 PolarHBondContact O-CE1 3.48Å; M5-I31 HydrophobicContact CE-CG2 3.67Å; M5-L32 HydrophobicContact CB-CD1 3.79Å; M5-L32 HydrophobicContact CE-CD1 3.46Å; M5-L32 VanDerWaalsContact CE-CD1 3.46Å; M5-L32 HydrophobicContact CE-CG 3.81Å; M5-L32 HydrophobicContact CG-CD1 4.4Å; M5-L32 HydrophobicContact SD-CD1 3.71Å; M5-L32 HydrophobicContact SD-CG 4.17Å; M5-Y107 HydrophobicContact CB-CD1 4.36Å; M5-Y107 HydrophobicContact CB-CE1 4.06Å; M5-Y107 WeakPolarHBondContact O-CE1 3.25Å |
| 6 | N | 86.9 | Confident | 84.2 | Confident | 22 Ų | 22 | 84.4 Ų | 84.4 | 12% | 0.118 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -67.3 | -38.4 | 174.2 | -161.4 | 19.5 | 0 | 0 | 0 | 111.5 | V2 N3 W4 R9 R10 Y107 | V2-N6 PolarHBondContact O-N 2.95Å; N3-N6 WeakPolarHBondContact O-CB 3.37Å; N3-N6 PolarHBondContact O-N 3.11Å; W4-N6 PolarHBondContact O-N 2.94Å; N6-R9 PolarHBondContact O-N 3.08Å; N6-R9 PolarHBondContact OD1-NE 3.15Å; N6-R9 PolarHBondContact OD1-NH2 3.21Å; N6-R9 VanDerWaalsContact OD1-NH2 3.08Å; N6-R10 WeakPolarHBondContact O-CB 3.44Å; N6-R10 VanDerWaalsContact O-CG 3.31Å; N6-R10 WeakPolarHBondContact O-CG 3.47Å; N6-R10 PolarHBondContact O-N 3.17Å; N6-Y107 VanDerWaalsContact CA-CD1 3.42Å; N6-Y107 HydrophobicContact CB-CD1 3.71Å; N6-Y107 HydrophobicContact CB-CG 4.24Å |
| 7 | T | 87.3 | Confident | 84.6 | Confident | 79 Ų | 79 | 79.5 Ų | 79.5 | 49% | 0.485 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 172.1 | -54.3 | 0 | 0 | 0 | 0 | 111 | N3 W4 R9 R10 S11 | N3-T7 PolarHBondContact O-N 2.86Å; N3-T7 VanDerWaalsContact O-N 3.15Å; N3-T7 PolarHBondContact O-OG1 2.95Å; W4-T7 WeakPolarHBondContact O-CB 3.19Å; W4-T7 PolarHBondContact O-N 2.92Å; W4-T7 VanDerWaalsContact O-N 3.12Å; T7-R9 VanDerWaalsContact C-N 3.35Å; T7-R9 PolarHBondContact O-N 2.94Å; T7-R10 PolarHBondContact O-N 3.42Å; T7-S11 PolarHBondContact O-N 2.92Å; T7-S11 PolarHBondContact O-OG 2.68Å |
| 8 | L | 88.8 | Confident | 84.9 | Confident | 18 Ų | 18 | 75.4 Ų | 75.4 | 9% | 0.094 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60 | -42.9 | 176.5 | -68 | 174.7 | 0 | 0 | 0 | 112.2 | W4 M5 R10 S11 D12 Q13 L14 | W4-L8 HydrophobicContact CZ2-CD2 4.25Å; W4-L8 PolarHBondContact O-N 3.37Å; M5-L8 PolarHBondContact O-N 3Å; L8-R10 VanDerWaalsContact C-N 3.34Å; L8-R10 PolarHBondContact O-N 3.32Å; L8-S11 CarbonylContact O-C 3.47Å; L8-S11 PolarHBondContact O-N 3.21Å; L8-S11 PolarHBondContact O-OG 3Å; L8-S11 VanDerWaalsContact O-OG 3.04Å; L8-D12 PolarHBondContact O-N 3.12Å; L8-D12 VanDerWaalsContact O-N 3.11Å; L8-Q13 HydrophobicContact CB-CB 4.47Å; L8-Q13 HydrophobicContact CD2-CB 4.03Å; L8-Q13 PolarHBondContact O-N 3.11Å; L8-L14 HydrophobicContact CD1-CD1 4.2Å |
| 9 | R | 90.2 | Very high | 85.2 | Confident | 28 Ų | 28 | 71.5 Ų | 71.5 | 11% | 0.106 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 175.5 | -175.1 | -172.8 | 65.9 | 108.3 | -4.6 | 111.5 | M5 N6 T7 S11 D12 R27 N104 Y107 | M5-R9 WeakPolarHBondContact O-CB 3.04Å; M5-R9 PolarHBondContact O-N 2.91Å; N6-R9 PolarHBondContact O-N 3.08Å; N6-R9 PolarHBondContact OD1-NE 3.15Å; N6-R9 PolarHBondContact OD1-NH2 3.21Å; N6-R9 VanDerWaalsContact OD1-NH2 3.08Å; T7-R9 VanDerWaalsContact C-N 3.35Å; T7-R9 PolarHBondContact O-N 2.94Å; R9-S11 VanDerWaalsContact C-N 3.26Å; R9-S11 PolarHBondContact O-N 3.46Å; R9-D12 PolarHBondContact O-N 3.21Å; R9-R27 WeakPolarHBondContact CD-O 3.47Å; R9-R27 WeakPolarHBondContact CG-O 3.26Å; R9-N104 PolarHBondContact NH2-OD1 3.46Å; R9-Y107 HydrophobicContact CB-CE1 3.93Å; R9-Y107 HydrophobicContact CG-CE1 4.49Å |
| 10 | R | 87.2 | Confident | 85.5 | Confident | 177 Ų | 177 | 68.7 Ų | 68.7 | 67% | 0.668 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.6 | -25.4 | -179.2 | -73.5 | 176.4 | -178.4 | -89.8 | -0.3 | 113 | N6 T7 L8 D12 | N6-R10 WeakPolarHBondContact O-CB 3.44Å; N6-R10 VanDerWaalsContact O-CG 3.31Å; N6-R10 WeakPolarHBondContact O-CG 3.47Å; N6-R10 PolarHBondContact O-N 3.17Å; T7-R10 PolarHBondContact O-N 3.42Å; L8-R10 VanDerWaalsContact C-N 3.34Å; L8-R10 PolarHBondContact O-N 3.32Å; R10-D12 VanDerWaalsContact C-N 3.34Å |
| 11 | S | 87.2 | Confident | 85.7 | Confident | 62 Ų | 62 | 65.4 Ų | 65.4 | 43% | 0.434 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | 6.9 | 171.1 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | T7 L8 R9 Q13 | T7-S11 PolarHBondContact O-N 2.92Å; T7-S11 PolarHBondContact O-OG 2.68Å; L8-S11 CarbonylContact O-C 3.47Å; L8-S11 PolarHBondContact O-N 3.21Å; L8-S11 PolarHBondContact O-OG 3Å; L8-S11 VanDerWaalsContact O-OG 3.04Å; R9-S11 VanDerWaalsContact C-N 3.26Å; R9-S11 PolarHBondContact O-N 3.46Å; S11-Q13 PolarHBondContact O-N 3.03Å; S11-Q13 WeakPolarHBondContact OG-CG 3.41Å |
| 12 | D | 84.5 | Confident | 86.6 | Confident | 76 Ų | 76 | 58.5 Ų | 58.5 | 41% | 0.406 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 29.6 | -177.4 | -159.7 | 21.5 | 0 | 0 | 0 | 113.9 | L8 R9 R10 R27 | L8-D12 PolarHBondContact O-N 3.12Å; L8-D12 VanDerWaalsContact O-N 3.11Å; R9-D12 PolarHBondContact O-N 3.21Å; R10-D12 VanDerWaalsContact C-N 3.34Å; D12-R27 WeakPolarHBondContact OD1-CD 3.26Å; D12-R27 IonicContact OD1-CZ 2.82Å; D12-R27 IonicContact OD1-NE 2.7Å; D12-R27 PolarHBondContact OD1-NE 3.35Å; D12-R27 VanDerWaalsContact OD1-NE 3.13Å; D12-R27 IonicContact OD1-NH1 3.81Å; D12-R27 PolarHBondContact OD1-NH1 2.94Å; D12-R27 IonicContact OD1-NH2 2.62Å; D12-R27 IonicContact OD2-CZ 3.78Å; D12-R27 IonicContact OD2-NE 3.53Å; D12-R27 IonicContact OD2-NH1 2.73Å; D12-R27 PolarHBondContact OD2-NH1 3Å |
| 13 | Q | 85.4 | Confident | 86.9 | Confident | 110 Ų | 110 | 62.4 Ų | 62.4 | 51% | 0.514 | 31% | 0.314 | S | S | . | . | trans | -94 | 136.3 | 179.1 | -69.3 | -168.9 | -26.9 | 0 | 0 | 110.8 | L8 S11 C15 H29 | L8-Q13 HydrophobicContact CB-CB 4.47Å; L8-Q13 HydrophobicContact CD2-CB 4.03Å; L8-Q13 PolarHBondContact O-N 3.11Å; S11-Q13 PolarHBondContact O-N 3.03Å; S11-Q13 WeakPolarHBondContact OG-CG 3.41Å; Q13-C15 PolarHBondContact O-N 3.07Å; Q13-C15 VanDerWaalsContact O-N 3.09Å; Q13-H29 PolarHBondContact O-NE2 2.79Å | ||
| 14 | L | 84.1 | Confident | 87.5 | Confident | 138 Ų | 138 | 63 Ų | 63 | 72% | 0.723 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 59 | 18.1 | 174.8 | -54.5 | 176.1 | 0 | 0 | 0 | 115.2 | L8 D16 H29 | L8-L14 HydrophobicContact CD1-CD1 4.2Å; L14-D16 PolarHBondContact O-N 2.82Å; L14-H29 PolarHBondContact O-CD2 3.43Å |
| 15 | C | 88 | Confident | 87.9 | Confident | 9 Ų | 9 | 61.1 Ų | 61.1 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | trans | -76.1 | 113.1 | 176.5 | -65.7 | 0 | 0 | 0 | 0 | 110.9 | Q13 R27 G28 | Q13-C15 PolarHBondContact O-N 3.07Å; Q13-C15 VanDerWaalsContact O-N 3.09Å; C15-R27 HydrophobicContact CB-CB 3.92Å; C15-R27 PolarHBondContact O-NH2 3.33Å; C15-G28 CarbonylContact C-O 3.54Å; C15-G28 VanDerWaalsContact CA-O 3.29Å; C15-G28 WeakPolarHBondContact CA-O 3.4Å | ||
| 16 | D | 87.4 | Confident | 88.1 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 28% | 0.278 | 30% | 0.3 | S | S | . | . | trans | -102.1 | -2.9 | -177.6 | 66.5 | -24.9 | 0 | 0 | 0 | 114 | L14 G28 H29 R30 L87 | L14-D16 PolarHBondContact O-N 2.82Å; D16-G28 PolarHBondContact N-O 2.94Å; D16-G28 VanDerWaalsContact N-O 3.08Å; D16-H29 VanDerWaalsContact OD1-CA 3.32Å; D16-H29 WeakPolarHBondContact OD1-CA 3.32Å; D16-R30 WeakPolarHBondContact OD1-CB 3.26Å; D16-R30 PolarHBondContact OD1-N 3.02Å; D16-R30 WeakPolarHBondContact OD2-CB 3.46Å; D16-R30 IonicContact OD2-CZ 3.64Å; D16-R30 IonicContact OD2-NE 3.11Å; D16-R30 PolarHBondContact OD2-NE 2.8Å; D16-R30 VanDerWaalsContact OD2-NE 3.11Å; D16-R30 IonicContact OD2-NH2 3.31Å; D16-R30 PolarHBondContact OD2-NH2 3Å; D16-L87 PolarHBondContact O-N 3Å | ||
| 17 | V | 89.9 | Confident | 88.3 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 141.9 | 177.1 | -175.9 | 0 | 0 | 0 | 0 | 111.3 | L19 R27 G28 R30 F33 L44 L87 L89 | V17-L19 HydrophobicContact CG1-CD2 4.31Å; V17-R27 WeakPolarHBondContact O-CA 3.39Å; V17-G28 PolarHBondContact N-O 2.73Å; V17-G28 VanDerWaalsContact N-O 3.08Å; V17-G28 PolarHBondContact O-N 2.81Å; V17-R30 HydrophobicContact CG2-CB 3.53Å; V17-R30 HydrophobicContact CG2-CG 4.11Å; V17-F33 HydrophobicContact CB-CD2 3.83Å; V17-F33 HydrophobicContact CB-CE2 4.2Å; V17-F33 HydrophobicContact CG1-CD2 3.67Å; V17-F33 HydrophobicContact CG1-CE2 4.16Å; V17-L44 HydrophobicContact CG1-CD2 3.91Å; V17-L44 HydrophobicContact CG2-CD2 4.05Å; V17-L87 CarbonylContact C-O 3.57Å; V17-L87 WeakPolarHBondContact CA-O 3.34Å; V17-L87 HydrophobicContact CG2-CB 4.37Å; V17-L89 HydrophobicContact CG1-CD1 3.96Å |
| 18 | T | 90.8 | Very high | 88.5 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 4% | 0.043 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 122.8 | 173.3 | -54.7 | 0 | 0 | 0 | 0 | 110.3 | V20 Q25 R27 L87 V88 L89 | T18-V20 HydrophobicContact CG2-CG2 4.21Å; T18-Q25 HydrophobicContact CG2-CB 4.02Å; T18-Q25 HydrophobicContact CG2-CG 4.21Å; T18-R27 HydrophobicContact CG2-CG 4.29Å; T18-L87 PolarHBondContact N-O 2.69Å; T18-V88 CarbonylContact O-C 3.24Å; T18-V88 VanDerWaalsContact O-CA 3.3Å; T18-V88 WeakPolarHBondContact O-CA 3.37Å; T18-L89 PolarHBondContact O-N 3.05Å |
| 19 | L | 90.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 122.7 | 166.7 | -48.5 | 178.6 | 0 | 0 | 0 | 108.2 | V17 V21 Q25 I26 F33 I36 L89 F91 M99 V103 | V17-L19 HydrophobicContact CG1-CD2 4.31Å; L19-V21 HydrophobicContact CB-CG2 4.29Å; L19-Q25 CarbonylContact O-C 3.52Å; L19-Q25 WeakPolarHBondContact O-CA 3.27Å; L19-I26 HydrophobicContact CB-CB 4.34Å; L19-I26 PolarHBondContact N-O 2.86Å; L19-I26 PolarHBondContact O-N 2.81Å; L19-F33 HydrophobicContact CD1-CD2 4.07Å; L19-F33 HydrophobicContact CD1-CE1 4.4Å; L19-F33 HydrophobicContact CD1-CE2 3.89Å; L19-F33 HydrophobicContact CD1-CG 4.42Å; L19-F33 HydrophobicContact CD1-CZ 4.04Å; L19-F33 HydrophobicContact CD2-CD2 3.91Å; L19-F33 HydrophobicContact CD2-CE2 4.12Å; L19-F33 HydrophobicContact CG-CD2 3.86Å; L19-F33 HydrophobicContact CG-CE2 3.59Å; L19-F33 HydrophobicContact CG-CZ 4.16Å; L19-I36 HydrophobicContact CD1-CD1 4.22Å; L19-L89 CarbonylContact C-O 3.51Å; L19-L89 WeakPolarHBondContact CA-O 2.99Å; L19-L89 HydrophobicContact CD2-CB 3.95Å; L19-L89 HydrophobicContact CD2-CD1 4.49Å; L19-F91 HydrophobicContact CD2-CE2 4.13Å; L19-M99 HydrophobicContact CD1-CG 4.38Å; L19-M99 HydrophobicContact CD1-SD 4.26Å; L19-V103 HydrophobicContact CD1-CG2 3.96Å |
| 20 | V | 90.8 | Very high | 88.4 | Confident | 14 Ų | 14 | 61.8 Ų | 61.8 | 9% | 0.085 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 109.2 | 174.1 | -178.5 | 0 | 0 | 0 | 0 | 107.6 | T18 R24 Q25 V88 L89 E90 F91 | T18-V20 HydrophobicContact CG2-CG2 4.21Å; V20-R24 CarbonylContact C-O 3.58Å; V20-R24 WeakPolarHBondContact CA-O 3.49Å; V20-Q25 HydrophobicContact CG2-CG 4.31Å; V20-V88 HydrophobicContact CG2-CG1 3.56Å; V20-L89 PolarHBondContact N-O 3.32Å; V20-E90 HydrophobicContact CB-CB 4.4Å; V20-E90 HydrophobicContact CB-CG 4.1Å; V20-E90 HydrophobicContact CG1-CG 4.1Å; V20-E90 CarbonylContact O-C 3.59Å; V20-E90 WeakPolarHBondContact O-CA 3.12Å; V20-F91 PolarHBondContact O-N 2.95Å |
| 21 | V | 89.5 | Confident | 88.3 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 117.8 | -173.6 | -177.9 | 0 | 0 | 0 | 0 | 108 | L19 N23 R24 F91 V94 F96 M99 | L19-V21 HydrophobicContact CB-CG2 4.29Å; V21-N23 PolarHBondContact O-N 2.88Å; V21-R24 PolarHBondContact N-O 2.92Å; V21-R24 PolarHBondContact O-N 2.79Å; V21-F91 WeakPolarHBondContact CA-O 3.25Å; V21-F91 HydrophobicContact CG1-CB 4.46Å; V21-F91 HydrophobicContact CG2-CB 4.18Å; V21-F91 HydrophobicContact CG2-CD2 4.16Å; V21-V94 HydrophobicContact CG1-CB 4.05Å; V21-V94 HydrophobicContact CG1-CG1 4.01Å; V21-V94 WeakPolarHBondContact CG1-O 3.12Å; V21-F96 HydrophobicContact CB-CD2 4.06Å; V21-F96 HydrophobicContact CG1-CB 4.27Å; V21-F96 HydrophobicContact CG1-CD2 4.44Å; V21-M99 HydrophobicContact CG1-CB 4.17Å; V21-M99 HydrophobicContact CG2-CB 4.05Å; V21-M99 HydrophobicContact CG2-CE 4.24Å; V21-M99 HydrophobicContact CG2-CG 3.69Å |
| 22 | S | 84.5 | Confident | 88.4 | Confident | 52 Ų | 52 | 57.3 Ų | 57.3 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 46 | 48.5 | -175.8 | -66.4 | 0 | 0 | 0 | 0 | 112.7 | R24 F91 V94 | S22-R24 PolarHBondContact O-N 3.34Å; S22-F91 PolarHBondContact N-O 2.78Å; S22-F91 VanDerWaalsContact N-O 3.14Å; S22-V94 PolarHBondContact OG-O 3.26Å |
| 23 | N | 83.5 | Confident | 88.6 | Confident | 144 Ų | 144 | 53.7 Ų | 53.7 | 77% | 0.77 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | 8.7 | -177.1 | -57.8 | -31.4 | 0 | 0 | 0 | 117 | V21 | V21-N23 PolarHBondContact O-N 2.88Š|
| 24 | R | 91.3 | Very high | 88.5 | Confident | 130 Ų | 130 | 49 Ų | 49 | 49% | 0.491 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 146.5 | 175.1 | -64.8 | 170.7 | 64.6 | -178.4 | 1 | 110.2 | V20 V21 S22 F96 | V20-R24 CarbonylContact C-O 3.58Å; V20-R24 WeakPolarHBondContact CA-O 3.49Å; V21-R24 PolarHBondContact N-O 2.92Å; V21-R24 PolarHBondContact O-N 2.79Å; S22-R24 PolarHBondContact O-N 3.34Å; R24-F96 HydrophobicContact CB-CD2 3.35Å; R24-F96 HydrophobicContact CB-CE2 3.32Å; R24-F96 HydrophobicContact CB-CG 4.25Å; R24-F96 HydrophobicContact CB-CZ 4.23Å; R24-F96 HydrophobicContact CG-CD2 4.18Å; R24-F96 HydrophobicContact CG-CE2 4.37Å; R24-F96 VanDerWaalsContact NH2-CD1 3.33Å |
| 25 | Q | 90.9 | Very high | 88.6 | Confident | 131 Ų | 131 | 46.6 Ų | 46.6 | 61% | 0.612 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 135.6 | -173.5 | -59.5 | -173.6 | 7.7 | 0 | 0 | 112 | T18 L19 V20 | T18-Q25 HydrophobicContact CG2-CB 4.02Å; T18-Q25 HydrophobicContact CG2-CG 4.21Å; L19-Q25 CarbonylContact O-C 3.52Å; L19-Q25 WeakPolarHBondContact O-CA 3.27Å; V20-Q25 HydrophobicContact CG2-CG 4.31Å |
| 26 | I | 91.7 | Very high | 88.4 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 109.3 | 169.4 | -51.2 | 175.6 | 0 | 0 | 0 | 107.6 | L19 F33 F96 M99 E100 V103 | L19-I26 HydrophobicContact CB-CB 4.34Å; L19-I26 PolarHBondContact N-O 2.86Å; L19-I26 PolarHBondContact O-N 2.81Å; I26-F33 HydrophobicContact CG2-CZ 4.28Å; I26-F96 HydrophobicContact CD1-CD2 4.35Å; I26-F96 HydrophobicContact CD1-CE2 3.79Å; I26-F96 HydrophobicContact CD1-CZ 4.01Å; I26-F96 HydrophobicContact CG1-CD2 4.46Å; I26-F96 HydrophobicContact CG1-CE2 3.53Å; I26-F96 HydrophobicContact CG1-CZ 3.78Å; I26-M99 HydrophobicContact CD1-CB 4.4Å; I26-M99 HydrophobicContact CD1-CG 4.04Å; I26-E100 HydrophobicContact CD1-CB 4.14Å; I26-V103 HydrophobicContact CG2-CB 4.49Å; I26-V103 HydrophobicContact CG2-CG1 4.07Å; I26-V103 HydrophobicContact CG2-CG2 4.25Å |
| 27 | R | 91.3 | Very high | 88 | Confident | 57 Ų | 57 | 44.3 Ų | 44.3 | 22% | 0.215 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 148.1 | 176.8 | -62.2 | -171.3 | 67.2 | -166.5 | -3.5 | 110.5 | R9 D12 C15 V17 T18 | R9-R27 WeakPolarHBondContact CD-O 3.47Å; R9-R27 WeakPolarHBondContact CG-O 3.26Å; D12-R27 WeakPolarHBondContact OD1-CD 3.26Å; D12-R27 IonicContact OD1-CZ 2.82Å; D12-R27 IonicContact OD1-NE 2.7Å; D12-R27 PolarHBondContact OD1-NE 3.35Å; D12-R27 VanDerWaalsContact OD1-NE 3.13Å; D12-R27 IonicContact OD1-NH1 3.81Å; D12-R27 PolarHBondContact OD1-NH1 2.94Å; D12-R27 IonicContact OD1-NH2 2.62Å; D12-R27 IonicContact OD2-CZ 3.78Å; D12-R27 IonicContact OD2-NE 3.53Å; D12-R27 IonicContact OD2-NH1 2.73Å; D12-R27 PolarHBondContact OD2-NH1 3Å; C15-R27 HydrophobicContact CB-CB 3.92Å; C15-R27 PolarHBondContact O-NH2 3.33Å; V17-R27 WeakPolarHBondContact O-CA 3.39Å; T18-R27 HydrophobicContact CG2-CG 4.29Å |
| 28 | G | 91.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.3 | -168.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | C15 D16 V17 F33 | C15-G28 CarbonylContact C-O 3.54Å; C15-G28 VanDerWaalsContact CA-O 3.29Å; C15-G28 WeakPolarHBondContact CA-O 3.4Å; D16-G28 PolarHBondContact N-O 2.94Å; D16-G28 VanDerWaalsContact N-O 3.08Å; V17-G28 PolarHBondContact N-O 2.73Å; V17-G28 VanDerWaalsContact N-O 3.08Å; V17-G28 PolarHBondContact O-N 2.81Å; G28-F33 VanDerWaalsContact CA-CZ 3.47Å |
| 29 | H | 90 | Very high | 86.4 | Confident | 14 Ų | 14 | 46.5 Ų | 46.5 | 7% | 0.065 | 24% | 0.239 | C | C | . | . | trans | -99.5 | 128.4 | -175.8 | -49.3 | 85.7 | 0 | 0 | 0 | 110.2 | M5 Q13 L14 D16 I31 L32 F33 Y107 | M5-H29 HydrophobicContact CE-CB 3.74Å; M5-H29 PolarHBondContact O-CE1 3.48Å; Q13-H29 PolarHBondContact O-NE2 2.79Å; L14-H29 PolarHBondContact O-CD2 3.43Å; D16-H29 VanDerWaalsContact OD1-CA 3.32Å; D16-H29 WeakPolarHBondContact OD1-CA 3.32Å; H29-I31 VanDerWaalsContact C-N 3.25Å; H29-I31 HydrophobicContact CB-CG2 4.31Å; H29-I31 PolarHBondContact O-N 3.34Å; H29-L32 PolarHBondContact O-N 2.84Å; H29-F33 PolarHBondContact O-N 3.36Å; H29-Y107 PolarHBondContact N-OH 2.92Å; H29-Y107 AromaticContact ND1-CE1 3.77Å; H29-Y107 AromaticContact ND1-CZ 3.78Å; H29-Y107 PolarHBondContact ND1-OH 2.78Å | ||
| 30 | R | 87.1 | Confident | 85.9 | Confident | 115 Ų | 115 | 46.6 Ų | 46.6 | 43% | 0.434 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -47.5 | -45.2 | 178.7 | -178.1 | 168.2 | 35.9 | 151.5 | 0.9 | 113.5 | D16 V17 L32 F33 A34 L44 | D16-R30 WeakPolarHBondContact OD1-CB 3.26Å; D16-R30 PolarHBondContact OD1-N 3.02Å; D16-R30 WeakPolarHBondContact OD2-CB 3.46Å; D16-R30 IonicContact OD2-CZ 3.64Å; D16-R30 IonicContact OD2-NE 3.11Å; D16-R30 PolarHBondContact OD2-NE 2.8Å; D16-R30 VanDerWaalsContact OD2-NE 3.11Å; D16-R30 IonicContact OD2-NH2 3.31Å; D16-R30 PolarHBondContact OD2-NH2 3Å; V17-R30 HydrophobicContact CG2-CB 3.53Å; V17-R30 HydrophobicContact CG2-CG 4.11Å; R30-L32 PolarHBondContact O-N 3.07Å; R30-F33 PolarHBondContact O-N 3.46Å; R30-A34 WeakPolarHBondContact O-CB 3.45Å; R30-A34 PolarHBondContact O-N 2.87Å; R30-L44 HydrophobicContact CG-CB 4.18Å |
| 31 | I | 84.5 | Confident | 85.3 | Confident | 127 Ų | 127 | 47.6 Ų | 47.6 | 65% | 0.651 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.4 | -30.7 | -178.4 | -167.5 | 168.2 | 0 | 0 | 0 | 112.8 | M5 H29 | M5-I31 HydrophobicContact CE-CG2 3.67Å; H29-I31 VanDerWaalsContact C-N 3.25Å; H29-I31 HydrophobicContact CB-CG2 4.31Å; H29-I31 PolarHBondContact O-N 3.34Å |
| 32 | L | 88.4 | Confident | 84.5 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 9% | 0.094 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -87.6 | -42.2 | 176.3 | -74 | 174.2 | 0 | 0 | 0 | 111.1 | V2 M5 H29 R30 A34 T35 V106 Y107 | V2-L32 HydrophobicContact CG1-CD2 4.34Å; M5-L32 HydrophobicContact CB-CD1 3.79Å; M5-L32 HydrophobicContact CE-CD1 3.46Å; M5-L32 VanDerWaalsContact CE-CD1 3.46Å; M5-L32 HydrophobicContact CE-CG 3.81Å; M5-L32 HydrophobicContact CG-CD1 4.4Å; M5-L32 HydrophobicContact SD-CD1 3.71Å; M5-L32 HydrophobicContact SD-CG 4.17Å; H29-L32 PolarHBondContact O-N 2.84Å; R30-L32 PolarHBondContact O-N 3.07Å; L32-A34 PolarHBondContact O-N 2.89Å; L32-T35 PolarHBondContact O-N 2.79Å; L32-T35 PolarHBondContact O-OG1 2.77Å; L32-V106 HydrophobicContact CB-CG1 3.84Å; L32-V106 HydrophobicContact CD2-CG1 3.99Å; L32-V106 HydrophobicContact CG-CG1 4.46Å; L32-V106 WeakPolarHBondContact O-CG1 3.31Å; L32-Y107 HydrophobicContact CB-CE2 3.95Å; L32-Y107 HydrophobicContact CD1-CD1 3.51Å; L32-Y107 HydrophobicContact CD1-CD2 4.27Å; L32-Y107 HydrophobicContact CD1-CE1 3.08Å; L32-Y107 HydrophobicContact CD1-CE2 3.88Å; L32-Y107 HydrophobicContact CD1-CG 4.13Å; L32-Y107 HydrophobicContact CG-CE1 4.41Å |
| 33 | F | 89.2 | Confident | 84 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.5 | -30.5 | 177.4 | -71.5 | -6.8 | 0 | 0 | 0 | 112.8 | V17 L19 I26 G28 H29 R30 T35 I36 V40 L44 V103 Y107 | V17-F33 HydrophobicContact CB-CD2 3.83Å; V17-F33 HydrophobicContact CB-CE2 4.2Å; V17-F33 HydrophobicContact CG1-CD2 3.67Å; V17-F33 HydrophobicContact CG1-CE2 4.16Å; L19-F33 HydrophobicContact CD1-CD2 4.07Å; L19-F33 HydrophobicContact CD1-CE1 4.4Å; L19-F33 HydrophobicContact CD1-CE2 3.89Å; L19-F33 HydrophobicContact CD1-CG 4.42Å; L19-F33 HydrophobicContact CD1-CZ 4.04Å; L19-F33 HydrophobicContact CD2-CD2 3.91Å; L19-F33 HydrophobicContact CD2-CE2 4.12Å; L19-F33 HydrophobicContact CG-CD2 3.86Å; L19-F33 HydrophobicContact CG-CE2 3.59Å; L19-F33 HydrophobicContact CG-CZ 4.16Å; I26-F33 HydrophobicContact CG2-CZ 4.28Å; G28-F33 VanDerWaalsContact CA-CZ 3.47Å; H29-F33 PolarHBondContact O-N 3.36Å; R30-F33 PolarHBondContact O-N 3.46Å; F33-T35 PolarHBondContact O-N 2.84Å; F33-T35 VanDerWaalsContact O-N 3.1Å; F33-I36 HydrophobicContact CB-CD1 4.12Å; F33-I36 HydrophobicContact CD1-CD1 3.83Å; F33-I36 HydrophobicContact CG-CD1 4.14Å; F33-I36 WeakPolarHBondContact O-CB 3.48Å; F33-I36 WeakPolarHBondContact O-CG1 3.44Å; F33-I36 PolarHBondContact O-N 3.01Å; F33-V40 HydrophobicContact CB-CG1 4.47Å; F33-V40 WeakPolarHBondContact O-CG1 3.46Å; F33-L44 HydrophobicContact CB-CD1 3.51Å; F33-V103 HydrophobicContact CD1-CG2 4.47Å; F33-V103 HydrophobicContact CE1-CB 4.45Å; F33-V103 HydrophobicContact CE1-CG1 3.74Å; F33-V103 HydrophobicContact CE1-CG2 3.89Å; F33-V103 HydrophobicContact CZ-CG1 4.42Å; F33-V103 HydrophobicContact CZ-CG2 4.44Å; F33-Y107 HydrophobicContact CD1-CE2 4.24Å; F33-Y107 AromaticContact CE1-CE2 3.89Å; F33-Y107 HydrophobicContact CE1-CE2 3.89Å |
| 34 | A | 84.3 | Confident | 83.7 | Confident | 13 Ų | 13 | 45 Ų | 45 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -15.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R30 L32 S41 L44 L45 | R30-A34 WeakPolarHBondContact O-CB 3.45Å; R30-A34 PolarHBondContact O-N 2.87Å; L32-A34 PolarHBondContact O-N 2.89Å; A34-S41 WeakPolarHBondContact O-CB 3.49Å; A34-S41 PolarHBondContact O-OG 2.98Å; A34-L44 HydrophobicContact CB-CB 4.41Å; A34-L44 HydrophobicContact CB-CD1 4.19Å; A34-L45 HydrophobicContact CB-CG 4.42Å |
| 35 | T | 84.8 | Confident | 82.8 | Confident | 87 Ų | 87 | 44.1 Ų | 44.1 | 53% | 0.534 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -0.1 | 175.6 | 77.4 | 0 | 0 | 0 | 0 | 113.6 | L32 F33 G37 V106 | L32-T35 PolarHBondContact O-N 2.79Å; L32-T35 PolarHBondContact O-OG1 2.77Å; F33-T35 PolarHBondContact O-N 2.84Å; F33-T35 VanDerWaalsContact O-N 3.1Å; T35-G37 VanDerWaalsContact C-N 3.31Å; T35-V106 VanDerWaalsContact OG1-CG1 3.27Å; T35-V106 WeakPolarHBondContact OG1-CG1 3.19Å |
| 36 | I | 84.8 | Confident | 81.5 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -66.3 | -35.6 | 179.4 | -68 | 170.6 | 0 | 0 | 0 | 110.7 | L19 F33 V40 L102 V103 V106 L128 C130 | L19-I36 HydrophobicContact CD1-CD1 4.22Å; F33-I36 HydrophobicContact CB-CD1 4.12Å; F33-I36 HydrophobicContact CD1-CD1 3.83Å; F33-I36 HydrophobicContact CG-CD1 4.14Å; F33-I36 WeakPolarHBondContact O-CB 3.48Å; F33-I36 WeakPolarHBondContact O-CG1 3.44Å; F33-I36 PolarHBondContact O-N 3.01Å; I36-V40 HydrophobicContact CB-CB 4.43Å; I36-V40 HydrophobicContact CB-CG2 4.39Å; I36-V40 HydrophobicContact CG2-CG2 4.31Å; I36-L102 HydrophobicContact CG2-CB 4.47Å; I36-L102 HydrophobicContact CG2-CD1 4.28Å; I36-V103 HydrophobicContact CD1-CG2 3.88Å; I36-V106 HydrophobicContact CG1-CG2 3.77Å; I36-L128 HydrophobicContact CG2-CD1 3.73Å; I36-C130 WeakPolarHBondContact O-CB 3.19Å; I36-C130 PolarHBondContact O-SG 3.49Å |
| 37 | G | 78.5 | Confident | 79.4 | Confident | 10 Ų | 10 | 47 Ų | 47 | 10% | 0.103 | 25% | 0.253 | C | S | . | . | trans | 174 | 172.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T35 I39 V40 S41 L128 H129 | T35-G37 VanDerWaalsContact C-N 3.31Å; G37-I39 PolarHBondContact O-N 2.75Å; G37-V40 PolarHBondContact O-N 3.01Å; G37-S41 WeakPolarHBondContact O-CB 3.38Å; G37-S41 PolarHBondContact O-N 3.06Å; G37-L128 CarbonylContact C-O 3.4Å; G37-L128 VanDerWaalsContact C-O 3.24Å; G37-L128 VanDerWaalsContact CA-O 3.26Å; G37-L128 WeakPolarHBondContact CA-O 3.48Å; G37-H129 WeakPolarHBondContact CA-O 3.46Å | ||
| 38 | G | 73.9 | Confident | 77 | Confident | 29 Ų | 29 | 52.5 Ų | 52.5 | 30% | 0.299 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -53.1 | -49.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V40 S41 E42 L128 H129 | G38-V40 PolarHBondContact O-N 3.41Å; G38-S41 WeakPolarHBondContact O-CB 3.46Å; G38-S41 PolarHBondContact O-N 3.1Å; G38-E42 WeakPolarHBondContact O-CG 3.11Å; G38-E42 PolarHBondContact O-N 3.39Å; G38-L128 PolarHBondContact N-O 2.78Å; G38-H129 PolarHBondContact N-O 2.79Å; G38-H129 VanDerWaalsContact N-O 3.11Å |
| 39 | I | 74.3 | Confident | 74.1 | Confident | 25 Ų | 25 | 63.9 Ų | 63.9 | 13% | 0.128 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.5 | -48.4 | -178.5 | -55.9 | -165 | 0 | 0 | 0 | 110.9 | G37 S41 E42 L43 L127 L128 H129 | G37-I39 PolarHBondContact O-N 2.75Å; I39-S41 VanDerWaalsContact C-N 3.28Å; I39-S41 PolarHBondContact O-N 3.28Å; I39-E42 PolarHBondContact O-N 2.68Å; I39-L43 HydrophobicContact CG2-CD1 3.82Å; I39-L43 HydrophobicContact CG2-CG 4.17Å; I39-L43 WeakPolarHBondContact O-CB 3.29Å; I39-L43 WeakPolarHBondContact O-CG 3.25Å; I39-L43 PolarHBondContact O-N 2.82Å; I39-L127 WeakPolarHBondContact CD1-O 3.23Å; I39-L128 PolarHBondContact N-O 3.3Å; I39-H129 WeakPolarHBondContact CG1-CD2 3.36Å |
| 40 | V | 78.6 | Confident | 71.4 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 1% | 0.012 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.7 | -38.4 | -178 | -174 | 0 | 0 | 0 | 0 | 110.5 | F33 I36 G37 G38 L43 L44 L128 | F33-V40 HydrophobicContact CB-CG1 4.47Å; F33-V40 WeakPolarHBondContact O-CG1 3.46Å; I36-V40 HydrophobicContact CB-CB 4.43Å; I36-V40 HydrophobicContact CB-CG2 4.39Å; I36-V40 HydrophobicContact CG2-CG2 4.31Å; G37-V40 PolarHBondContact O-N 3.01Å; G38-V40 PolarHBondContact O-N 3.41Å; V40-L43 PolarHBondContact O-N 2.99Å; V40-L44 HydrophobicContact CG1-CD1 3.64Å; V40-L44 HydrophobicContact CG1-CG 4.12Å; V40-L44 VanDerWaalsContact O-CB 3.29Å; V40-L44 WeakPolarHBondContact O-CB 3.49Å; V40-L44 WeakPolarHBondContact O-CG 3.34Å; V40-L44 PolarHBondContact O-N 2.94Å; V40-L128 HydrophobicContact CG2-CD1 4.33Å; V40-L128 HydrophobicContact CG2-CD2 3.91Å; V40-L128 HydrophobicContact CG2-CG 4.5Å |
| 41 | S | 78.9 | Confident | 68.7 | Low | 35 Ų | 35 | 66.4 Ų | 66.4 | 25% | 0.245 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.6 | -52.4 | 173.4 | -167.3 | 0 | 0 | 0 | 0 | 111.6 | A34 G37 G38 I39 L43 L44 L45 | A34-S41 WeakPolarHBondContact O-CB 3.49Å; A34-S41 PolarHBondContact O-OG 2.98Å; G37-S41 WeakPolarHBondContact O-CB 3.38Å; G37-S41 PolarHBondContact O-N 3.06Å; G38-S41 WeakPolarHBondContact O-CB 3.46Å; G38-S41 PolarHBondContact O-N 3.1Å; I39-S41 VanDerWaalsContact C-N 3.28Å; I39-S41 PolarHBondContact O-N 3.28Å; S41-L43 VanDerWaalsContact C-N 3.35Å; S41-L43 PolarHBondContact O-N 2.92Å; S41-L44 PolarHBondContact O-N 2.98Å; S41-L45 WeakPolarHBondContact O-CB 3.43Å; S41-L45 VanDerWaalsContact O-CG 3.24Å; S41-L45 WeakPolarHBondContact O-CG 3.34Å; S41-L45 PolarHBondContact O-N 3.15Å; S41-L45 WeakPolarHBondContact OG-CD1 3.44Å |
| 42 | E | 72.7 | Confident | 66.5 | Low | 124 Ų | 124 | 62.4 Ų | 62.4 | 58% | 0.579 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -58.5 | -46.4 | 178.7 | -74.6 | -179.1 | -176.9 | 0 | 0 | 111.6 | G38 I39 L44 S46 | G38-E42 WeakPolarHBondContact O-CG 3.11Å; G38-E42 PolarHBondContact O-N 3.39Å; I39-E42 PolarHBondContact O-N 2.68Å; E42-L44 PolarHBondContact O-N 2.86Å; E42-S46 WeakPolarHBondContact O-CB 3.4Å; E42-S46 PolarHBondContact O-N 2.86Å; E42-S46 PolarHBondContact O-OG 3.12Å |
| 43 | L | 74.7 | Confident | 64 | Low | 9 Ų | 9 | 65 Ų | 65 | 5% | 0.047 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 179.1 | -66.9 | 176.8 | 0 | 0 | 0 | 112.3 | I39 V40 S41 S46 L69 L89 | I39-L43 HydrophobicContact CG2-CD1 3.82Å; I39-L43 HydrophobicContact CG2-CG 4.17Å; I39-L43 WeakPolarHBondContact O-CB 3.29Å; I39-L43 WeakPolarHBondContact O-CG 3.25Å; I39-L43 PolarHBondContact O-N 2.82Å; V40-L43 PolarHBondContact O-N 2.99Å; S41-L43 VanDerWaalsContact C-N 3.35Å; S41-L43 PolarHBondContact O-N 2.92Å; L43-S46 PolarHBondContact O-OG 2.93Å; L43-S46 VanDerWaalsContact O-OG 3.04Å; L43-L69 HydrophobicContact CD1-CD1 4.5Å; L43-L69 HydrophobicContact CD2-CD1 3.19Å; L43-L69 HydrophobicContact CG-CD1 4.42Å; L43-L89 HydrophobicContact CB-CD2 4.07Å; L43-L89 HydrophobicContact CD1-CD2 3.78Å |
| 44 | L | 77 | Confident | 61.8 | Low | 10 Ų | 10 | 68.1 Ų | 68.1 | 5% | 0.052 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -77.7 | -27.7 | -176 | -68.2 | -179.9 | 0 | 0 | 0 | 113.9 | V17 R30 F33 A34 V40 S41 E42 L87 L89 | V17-L44 HydrophobicContact CG1-CD2 3.91Å; V17-L44 HydrophobicContact CG2-CD2 4.05Å; R30-L44 HydrophobicContact CG-CB 4.18Å; F33-L44 HydrophobicContact CB-CD1 3.51Å; A34-L44 HydrophobicContact CB-CB 4.41Å; A34-L44 HydrophobicContact CB-CD1 4.19Å; V40-L44 HydrophobicContact CG1-CD1 3.64Å; V40-L44 HydrophobicContact CG1-CG 4.12Å; V40-L44 VanDerWaalsContact O-CB 3.29Å; V40-L44 WeakPolarHBondContact O-CB 3.49Å; V40-L44 WeakPolarHBondContact O-CG 3.34Å; V40-L44 PolarHBondContact O-N 2.94Å; S41-L44 PolarHBondContact O-N 2.98Å; E42-L44 PolarHBondContact O-N 2.86Å; L44-L87 HydrophobicContact CD2-CD2 3.46Å; L44-L87 VanDerWaalsContact CD2-CD2 3.46Å; L44-L89 HydrophobicContact CD2-CD1 3.59Å; L44-L89 HydrophobicContact CD2-CD2 4.44Å |
| 45 | L | 72.3 | Confident | 60 | Low | 111 Ų | 111 | 70 Ų | 70 | 58% | 0.581 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -98 | -8.3 | -178.1 | -60.8 | 177.9 | 0 | 0 | 0 | 113.1 | A34 S41 N47 | A34-L45 HydrophobicContact CB-CG 4.42Å; S41-L45 WeakPolarHBondContact O-CB 3.43Å; S41-L45 VanDerWaalsContact O-CG 3.24Å; S41-L45 WeakPolarHBondContact O-CG 3.34Å; S41-L45 PolarHBondContact O-N 3.15Å; S41-L45 WeakPolarHBondContact OG-CD1 3.44Å; L45-N47 VanDerWaalsContact C-N 3.26Å; L45-N47 PolarHBondContact O-N 3.11Å |
| 46 | S | 63.8 | Low | 58.4 | Low | 54 Ų | 54 | 73 Ų | 73 | 38% | 0.378 | 40% | 0.404 | S | S | . | . | trans | -67.1 | 79.3 | 177.9 | 64.8 | 0 | 0 | 0 | 0 | 112.8 | E42 L43 Q48 | E42-S46 WeakPolarHBondContact O-CB 3.4Å; E42-S46 PolarHBondContact O-N 2.86Å; E42-S46 PolarHBondContact O-OG 3.12Å; L43-S46 PolarHBondContact O-OG 2.93Å; L43-S46 VanDerWaalsContact O-OG 3.04Å; S46-Q48 PolarHBondContact O-N 2.95Å | ||
| 47 | N | 47 | Very low | 57 | Low | 145 Ų | 145 | 77.9 Ų | 77.9 | 78% | 0.775 | 43% | 0.43 | S | S | * | . | trans | -80 | 93.6 | 157.3 | -79 | -24.5 | 0 | 0 | 0 | 107.5 | L45 | L45-N47 VanDerWaalsContact C-N 3.26Å; L45-N47 PolarHBondContact O-N 3.11Å | ||
| 48 | Q | 40 | Very low | 56.2 | Low | 172 Ų | 172 | 79 Ų | 79 | 80% | 0.804 | 44% | 0.441 | S | S | * | . | S | Bend | trans | 89.8 | 124.4 | 167 | -42.9 | -150 | -12.1 | 0 | 0 | 119.3 | S46 G50 | S46-Q48 PolarHBondContact O-N 2.95Å; Q48-G50 PolarHBondContact O-N 2.92Å |
| 49 | R | 32.1 | Very low | 55.2 | Low | 239 Ų | 239 | 85.1 Ų | 85.1 | 90% | 0.902 | 46% | 0.464 | S | S | * | . | trans | 36 | 63.4 | 146.2 | -62.6 | -177.2 | 177.2 | 179.7 | -0.8 | 119.1 | ||||
| 50 | G | 33.5 | Very low | 54.6 | Low | 45 Ų | 45 | 86 Ų | 86 | 46% | 0.464 | 47% | 0.469 | S | S | . | . | trans | -116.1 | 148.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q48 I52 | Q48-G50 PolarHBondContact O-N 2.92Å; G50-I52 PolarHBondContact O-N 3.2Å | ||
| 51 | P | 28.9 | Very low | 53.6 | Low | 138 Ų | 138 | 94.3 Ų | 94.3 | 90% | 0.896 | 51% | 0.513 | S | S | * | . | trans | -79.8 | 108.7 | -172.1 | 32.2 | -29.7 | 0 | 0 | 0 | 110.1 | ||||
| 52 | I | 38.2 | Very low | 52.7 | Low | 43 Ų | 43 | 98.8 Ų | 98.8 | 22% | 0.221 | 53% | 0.534 | C | S | . | . | trans | -95 | 128.1 | 156.5 | -54.4 | 170.7 | 0 | 0 | 0 | 105.3 | G50 S54 T55 L69 | G50-I52 PolarHBondContact O-N 3.2Å; I52-S54 PolarHBondContact O-N 2.8Å; I52-T55 HydrophobicContact CB-CG2 4.46Å; I52-L69 HydrophobicContact CB-CD2 3.9Å; I52-L69 HydrophobicContact CD1-CD1 4.46Å; I52-L69 HydrophobicContact CD1-CD2 4Å; I52-L69 HydrophobicContact CG2-CD2 3.75Å | ||
| 53 | S | 37.6 | Very low | 51.9 | Low | 72 Ų | 72 | 95 Ų | 95 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | 126.7 | -176.4 | 39.6 | 0 | 0 | 0 | 0 | 111 | ||
| 54 | S | 42.9 | Very low | 51.2 | Low | 65 Ų | 65 | 98.1 Ų | 98.1 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 62.9 | -176.9 | 68.1 | 0 | 0 | 0 | 0 | 116.8 | I52 S70 | I52-S54 PolarHBondContact O-N 2.8Å; S54-S70 PolarHBondContact OG-O 2.79Å; S54-S70 PolarHBondContact OG-OG 2.8Å |
| 55 | T | 45.9 | Very low | 50.2 | Low | 53 Ų | 53 | 101.2 Ų | 101.2 | 33% | 0.325 | 56% | 0.564 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.8 | 113.9 | 161.4 | 51.6 | 0 | 0 | 0 | 0 | 110.5 | I52 R67 L69 | I52-T55 HydrophobicContact CB-CG2 4.46Å; T55-R67 HydrophobicContact CG2-CG 4.06Å; T55-L69 HydrophobicContact CG2-CD2 3.71Å |
| 56 | H | 52.1 | Low | 49.5 | Very low | 150 Ų | 150 | 96.4 Ų | 96.4 | 69% | 0.694 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 106.3 | 153.7 | -89.3 | -79.4 | 0 | 0 | 0 | 107.3 | W68 | H56-W68 HydrophobicContact CB-CB 4.39Å; H56-W68 PolarHBondContact O-N 3.44Å; H56-W68 VanDerWaalsContact O-N 3.11Å |
| 57 | D | 55.4 | Low | 49.4 | Very low | 104 Ų | 104 | 96.5 Ų | 96.5 | 56% | 0.556 | 53% | 0.531 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 130.4 | 166.2 | -69.6 | -26.1 | 0 | 0 | 0 | 107.5 | R67 | D57-R67 IonicContact OD1-CZ 3.87Å; D57-R67 IonicContact OD1-NE 3.04Å; D57-R67 PolarHBondContact OD1-NE 3.19Å; D57-R67 IonicContact OD1-NH2 3.77Å; D57-R67 IonicContact OD2-NH2 3.78Å |
| 58 | G | 60.5 | Low | 49.8 | Very low | 34 Ų | 34 | 94.6 Ų | 94.6 | 35% | 0.351 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | -179.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S65 V66 | G58-S65 WeakPolarHBondContact O-CA 3.42Å; G58-V66 PolarHBondContact N-O 3.05Å; G58-V66 PolarHBondContact O-N 2.8Å |
| 59 | M | 54 | Low | 50.4 | Low | 158 Ų | 158 | 87 Ų | 87 | 78% | 0.778 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 138.9 | 167 | -74.9 | 176.1 | 172.5 | 0 | 0 | 108.7 | Y64 | M59-Y64 VanDerWaalsContact CA-O 3.29Å; M59-Y64 WeakPolarHBondContact CA-O 3.31Å |
| 60 | D | 61.5 | Low | 51.2 | Low | 44 Ų | 44 | 78.5 Ų | 78.5 | 24% | 0.235 | 46% | 0.455 | C | S | . | . | trans | -74.7 | 173.9 | 166.9 | 71.4 | -0.6 | 0 | 0 | 0 | 111.5 | N62 G63 Y64 V66 | D60-N62 PolarHBondContact O-N 3.3Å; D60-N62 WeakPolarHBondContact OD1-CA 3.39Å; D60-N62 PolarHBondContact OD1-N 3Å; D60-G63 PolarHBondContact O-N 2.53Å; D60-G63 PolarHBondContact OD1-N 2.98Å; D60-Y64 PolarHBondContact N-O 3.46Å; D60-Y64 PolarHBondContact OD1-N 3.36Å; D60-V66 HydrophobicContact CB-CG2 3.73Å | ||
| 61 | D | 57.5 | Low | 51.8 | Low | 175 Ų | 175 | 81.3 Ų | 81.3 | 94% | 0.936 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -13.8 | 178.2 | -65.8 | -28.7 | 0 | 0 | 0 | 113.5 | ||
| 62 | N | 58.4 | Low | 52.2 | Low | 129 Ų | 129 | 79.5 Ų | 79.5 | 69% | 0.69 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | 3.1 | 178.4 | -60.4 | -48.4 | 0 | 0 | 0 | 113.1 | D60 Y64 | D60-N62 PolarHBondContact O-N 3.3Å; D60-N62 WeakPolarHBondContact OD1-CA 3.39Å; D60-N62 PolarHBondContact OD1-N 3Å; N62-Y64 HydrophobicContact CB-CD2 3.7Å; N62-Y64 HydrophobicContact CB-CE2 3.71Å |
| 63 | G | 57.7 | Low | 52.3 | Low | 46 Ų | 46 | 80.9 Ų | 80.9 | 47% | 0.474 | 48% | 0.477 | S | S | . | . | S | Bend | trans | 82.2 | 10.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D60 | D60-G63 PolarHBondContact O-N 2.53Å; D60-G63 PolarHBondContact OD1-N 2.98Å |
| 64 | Y | 58.4 | Low | 52.7 | Low | 73 Ų | 73 | 83 Ų | 83 | 29% | 0.286 | 49% | 0.487 | S | S | . | . | trans | -82.6 | 140.2 | 175.6 | -61.4 | -67.2 | 0 | 0 | 0 | 110.9 | M59 D60 N62 V66 T82 N83 | M59-Y64 VanDerWaalsContact CA-O 3.29Å; M59-Y64 WeakPolarHBondContact CA-O 3.31Å; D60-Y64 PolarHBondContact N-O 3.46Å; D60-Y64 PolarHBondContact OD1-N 3.36Å; N62-Y64 HydrophobicContact CB-CD2 3.7Å; N62-Y64 HydrophobicContact CB-CE2 3.71Å; Y64-V66 PolarHBondContact O-N 3.23Å; Y64-T82 WeakPolarHBondContact CD1-O 3.36Å; Y64-N83 HydrophobicContact CE1-CB 4.45Å | ||
| 65 | S | 57.7 | Low | 53.1 | Low | 76 Ų | 76 | 82 Ų | 82 | 53% | 0.531 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 119.5 | 174.4 | 58.8 | 0 | 0 | 0 | 0 | 110.2 | G58 Y81 | G58-S65 WeakPolarHBondContact O-CA 3.42Å; S65-Y81 WeakPolarHBondContact O-CA 3.4Å; S65-Y81 WeakPolarHBondContact O-CB 3.3Å |
| 66 | V | 57.4 | Low | 53.5 | Low | 10 Ų | 10 | 81 Ų | 81 | 6% | 0.061 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 130.9 | 177.4 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | G58 D60 Y64 W68 K79 | G58-V66 PolarHBondContact N-O 3.05Å; G58-V66 PolarHBondContact O-N 2.8Å; D60-V66 HydrophobicContact CB-CG2 3.73Å; Y64-V66 PolarHBondContact O-N 3.23Å; V66-W68 HydrophobicContact CG1-CD2 4.34Å; V66-W68 HydrophobicContact CG1-CG 4.45Å; V66-W68 HydrophobicContact CG1-CZ2 4.36Å; V66-K79 HydrophobicContact CG1-CB 4.34Å |
| 67 | R | 60.8 | Low | 54 | Low | 56 Ų | 56 | 76.5 Ų | 76.5 | 21% | 0.211 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 120.1 | 165.8 | -178 | 173.8 | -82.3 | -172 | -10.2 | 109.4 | T55 D57 L69 L80 | T55-R67 HydrophobicContact CG2-CG 4.06Å; D57-R67 IonicContact OD1-CZ 3.87Å; D57-R67 IonicContact OD1-NE 3.04Å; D57-R67 PolarHBondContact OD1-NE 3.19Å; D57-R67 IonicContact OD1-NH2 3.77Å; D57-R67 IonicContact OD2-NH2 3.78Å; R67-L69 HydrophobicContact CG-CD2 4.23Å; R67-L69 HydrophobicContact CG-CG 4.24Å; R67-L80 PolarHBondContact N-O 2.89Å; R67-L80 PolarHBondContact O-N 2.87Å |
| 68 | W | 54.8 | Low | 54.8 | Low | 105 Ų | 105 | 72.2 Ų | 72.2 | 40% | 0.398 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 133 | 170.8 | -61.3 | 92.1 | 0 | 0 | 0 | 109.6 | H56 V66 K79 | H56-W68 HydrophobicContact CB-CB 4.39Å; H56-W68 PolarHBondContact O-N 3.44Å; H56-W68 VanDerWaalsContact O-N 3.11Å; V66-W68 HydrophobicContact CG1-CD2 4.34Å; V66-W68 HydrophobicContact CG1-CG 4.45Å; V66-W68 HydrophobicContact CG1-CZ2 4.36Å; W68-K79 HydrophobicContact CD2-CG 4.39Å; W68-K79 HydrophobicContact CE3-CD 4.08Å; W68-K79 HydrophobicContact CE3-CG 3.72Å; W68-K79 HydrophobicContact CH2-CD 3.35Å; W68-K79 HydrophobicContact CH2-CG 3.96Å; W68-K79 HydrophobicContact CZ2-CD 3.93Å; W68-K79 HydrophobicContact CZ3-CD 3.43Å; W68-K79 VanDerWaalsContact CZ3-CD 3.43Å; W68-K79 HydrophobicContact CZ3-CG 3.49Å; W68-K79 VanDerWaalsContact CZ3-CG 3.49Å |
| 69 | L | 53.4 | Low | 55.5 | Low | 12 Ų | 12 | 73 Ų | 73 | 6% | 0.063 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 109.6 | 176.6 | -65.9 | 167.1 | 0 | 0 | 0 | 108.7 | L43 I52 T55 R67 F78 | L43-L69 HydrophobicContact CD1-CD1 4.5Å; L43-L69 HydrophobicContact CD2-CD1 3.19Å; L43-L69 HydrophobicContact CG-CD1 4.42Å; I52-L69 HydrophobicContact CB-CD2 3.9Å; I52-L69 HydrophobicContact CD1-CD1 4.46Å; I52-L69 HydrophobicContact CD1-CD2 4Å; I52-L69 HydrophobicContact CG2-CD2 3.75Å; T55-L69 HydrophobicContact CG2-CD2 3.71Å; R67-L69 HydrophobicContact CG-CD2 4.23Å; R67-L69 HydrophobicContact CG-CG 4.24Å; L69-F78 PolarHBondContact N-O 2.68Å; L69-F78 PolarHBondContact O-N 3.35Å |
| 70 | S | 48.8 | Very low | 56.7 | Low | 61 Ų | 61 | 66.4 Ų | 66.4 | 43% | 0.427 | 39% | 0.394 | S | S | . | . | trans | -105.7 | 120.4 | 164.8 | 46 | 0 | 0 | 0 | 0 | 108.5 | S54 | S54-S70 PolarHBondContact OG-O 2.79Å; S54-S70 PolarHBondContact OG-OG 2.8Å | ||
| 71 | H | 46.1 | Very low | 57.6 | Low | 104 Ų | 104 | 66.6 Ų | 66.6 | 48% | 0.481 | 39% | 0.392 | S | S | . | . | trans | -82.6 | 135.7 | 162 | -124.9 | 68.6 | 0 | 0 | 0 | 107.8 | G73 L75 | H71-G73 PolarHBondContact O-N 3.24Å; H71-L75 HydrophobicContact CB-CB 4.32Å; H71-L75 HydrophobicContact CB-CD1 3.76Å; H71-L75 HydrophobicContact CB-CG 4.4Å | ||
| 72 | A | 36.8 | Very low | 58.6 | Low | 100 Ų | 100 | 61.5 Ų | 61.5 | 83% | 0.826 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 113.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 73 | G | 41.2 | Very low | 59.5 | Low | 71 Ų | 71 | 57.9 Ų | 57.9 | 73% | 0.732 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 123.4 | -38.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | H71 | H71-G73 PolarHBondContact O-N 3.24Š|
| 74 | T | 46.2 | Very low | 60.4 | Low | 116 Ų | 116 | 64.5 Ų | 64.5 | 71% | 0.712 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -165.5 | -6.7 | -169.7 | 33.5 | 0 | 0 | 0 | 0 | 117.1 | ||
| 75 | L | 50.5 | Low | 61 | Low | 45 Ų | 45 | 69.2 Ų | 69.2 | 24% | 0.236 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -89.6 | 140.5 | -174.6 | -59.1 | 173.8 | 0 | 0 | 0 | 111.1 | H71 L127 F160 | H71-L75 HydrophobicContact CB-CB 4.32Å; H71-L75 HydrophobicContact CB-CD1 3.76Å; H71-L75 HydrophobicContact CB-CG 4.4Å; L75-L127 HydrophobicContact CB-CD1 3.96Å; L75-L127 HydrophobicContact CD1-CD1 4.28Å; L75-L127 HydrophobicContact CD2-CD1 3.33Å; L75-L127 HydrophobicContact CG-CD1 4.02Å; L75-F160 HydrophobicContact CD2-CE1 4.27Å |
| 76 | P | 54.6 | Low | 62.1 | Low | 31 Ų | 31 | 66.8 Ų | 66.8 | 20% | 0.201 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 146.7 | 179.9 | 25.6 | -35.2 | 0 | 0 | 0 | 112.3 | F78 T93 L127 | P76-F78 HydrophobicContact CG-CE1 4.42Å; P76-F78 HydrophobicContact CG-CZ 4.45Å; P76-F78 WeakPolarHBondContact O-CD2 3.14Å; P76-F78 WeakPolarHBondContact O-CE2 3.37Å; P76-F78 PolarHBondContact O-N 2.91Å; P76-T93 HydrophobicContact CB-CG2 4.18Å; P76-T93 WeakPolarHBondContact CB-OG1 3.47Å; P76-T93 WeakPolarHBondContact CG-OG1 3.36Å; P76-L127 HydrophobicContact CG-CD1 4.23Å; P76-L127 HydrophobicContact CG-CD2 3.77Å |
| 77 | S | 62.2 | Low | 63.4 | Low | 57 Ų | 57 | 68 Ų | 68 | 40% | 0.399 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 124.5 | 178.5 | 42.7 | 0 | 0 | 0 | 0 | 110.8 | P92 | S77-P92 WeakPolarHBondContact O-CD 3.48Š|
| 78 | F | 72.1 | Confident | 64.6 | Low | 14 Ų | 14 | 65.4 Ų | 65.4 | 6% | 0.061 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 144.5 | 172.5 | -47.6 | -75.1 | 0 | 0 | 0 | 109.6 | L69 P76 F91 L127 | L69-F78 PolarHBondContact N-O 2.68Å; L69-F78 PolarHBondContact O-N 3.35Å; P76-F78 HydrophobicContact CG-CE1 4.42Å; P76-F78 HydrophobicContact CG-CZ 4.45Å; P76-F78 WeakPolarHBondContact O-CD2 3.14Å; P76-F78 WeakPolarHBondContact O-CE2 3.37Å; P76-F78 PolarHBondContact O-N 2.91Å; F78-F91 AromaticContact CD1-CD1 3.45Å; F78-F91 HydrophobicContact CD1-CD1 3.45Å; F78-F91 VanDerWaalsContact CD1-CD1 3.45Å; F78-F91 AromaticContact CD1-CE1 3.46Å; F78-F91 HydrophobicContact CD1-CE1 3.46Å; F78-F91 VanDerWaalsContact CD1-CE1 3.46Å; F78-F91 HydrophobicContact CD1-CG 4.46Å; F78-F91 HydrophobicContact CD1-CZ 4.48Å; F78-F91 AromaticContact CE1-CD1 3.56Å; F78-F91 HydrophobicContact CE1-CD1 3.56Å; F78-F91 AromaticContact CE1-CE1 3.57Å; F78-F91 HydrophobicContact CE1-CE1 3.57Å; F78-L127 HydrophobicContact CE1-CD2 4.16Å; F78-L127 HydrophobicContact CE1-CG 4.42Å; F78-L127 HydrophobicContact CZ-CD1 3.73Å; F78-L127 HydrophobicContact CZ-CD2 4.1Å; F78-L127 HydrophobicContact CZ-CG 3.94Å |
| 79 | K | 75.8 | Confident | 66.2 | Low | 49 Ų | 49 | 60.6 Ų | 60.6 | 21% | 0.213 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 134.7 | 170.4 | -47.8 | -173.9 | -149.7 | 154.1 | 0 | 110.5 | V66 W68 L89 E90 | V66-K79 HydrophobicContact CG1-CB 4.34Å; W68-K79 HydrophobicContact CD2-CG 4.39Å; W68-K79 HydrophobicContact CE3-CD 4.08Å; W68-K79 HydrophobicContact CE3-CG 3.72Å; W68-K79 HydrophobicContact CH2-CD 3.35Å; W68-K79 HydrophobicContact CH2-CG 3.96Å; W68-K79 HydrophobicContact CZ2-CD 3.93Å; W68-K79 HydrophobicContact CZ3-CD 3.43Å; W68-K79 VanDerWaalsContact CZ3-CD 3.43Å; W68-K79 HydrophobicContact CZ3-CG 3.49Å; W68-K79 VanDerWaalsContact CZ3-CG 3.49Å; K79-L89 CarbonylContact O-C 3.55Å; K79-L89 WeakPolarHBondContact O-CA 3.47Å; K79-E90 HydrophobicContact CB-CB 3.9Å; K79-E90 VanDerWaalsContact CD-OE2 3.3Å; K79-E90 WeakPolarHBondContact CD-OE2 3.16Å; K79-E90 WeakPolarHBondContact CE-OE1 3.48Å; K79-E90 WeakPolarHBondContact CE-OE2 3.14Å; K79-E90 HydrophobicContact CG-CB 4.31Å; K79-E90 PolarHBondContact N-O 3.06Å; K79-E90 VanDerWaalsContact NZ-CD 3.27Å; K79-E90 IonicContact NZ-OE1 2.64Å; K79-E90 PolarHBondContact NZ-OE1 3.02Å; K79-E90 IonicContact NZ-OE2 3.06Å; K79-E90 PolarHBondContact NZ-OE2 3.33Å; K79-E90 PolarHBondContact O-N 2.99Å |
| 80 | L | 78.6 | Confident | 67.8 | Low | 21 Ų | 21 | 61.4 Ų | 61.4 | 11% | 0.11 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 126.6 | 172 | -178.4 | 73.2 | 0 | 0 | 0 | 109.1 | R67 L87 V88 L89 | R67-L80 PolarHBondContact N-O 2.89Å; R67-L80 PolarHBondContact O-N 2.87Å; L80-L87 HydrophobicContact CD1-CD1 3.71Å; L80-L87 HydrophobicContact CD1-CD2 4.03Å; L80-L87 HydrophobicContact CD1-CG 3.78Å; L80-L87 HydrophobicContact CG-CD1 4.2Å; L80-V88 WeakPolarHBondContact CA-O 3.4Å; L80-L89 HydrophobicContact CD1-CD1 3.5Å; L80-L89 VanDerWaalsContact CD1-CD1 3.5Å; L80-L89 HydrophobicContact CD1-CD2 4.39Å; L80-L89 HydrophobicContact CD1-CG 3.56Å |
| 81 | Y | 80.2 | Confident | 69.5 | Low | 47 Ų | 47 | 58.7 Ų | 58.7 | 18% | 0.184 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 164.9 | 174.5 | 63.4 | -85.4 | 0 | 0 | 0 | 111.3 | S65 V88 | S65-Y81 WeakPolarHBondContact O-CA 3.4Å; S65-Y81 WeakPolarHBondContact O-CB 3.3Å; Y81-V88 HydrophobicContact CD1-CB 4.18Å; Y81-V88 HydrophobicContact CD1-CG1 4.44Å; Y81-V88 HydrophobicContact CD2-CB 4.04Å; Y81-V88 HydrophobicContact CD2-CG2 4.26Å; Y81-V88 HydrophobicContact CE1-CB 3.86Å; Y81-V88 HydrophobicContact CE1-CG1 3.68Å; Y81-V88 HydrophobicContact CE2-CB 3.69Å; Y81-V88 HydrophobicContact CE2-CG1 4.02Å; Y81-V88 HydrophobicContact CE2-CG2 3.78Å; Y81-V88 HydrophobicContact CG-CB 4.28Å; Y81-V88 VanDerWaalsContact CZ-CG1 3.43Å; Y81-V88 PolarHBondContact N-O 2.96Å; Y81-V88 PolarHBondContact O-N 2.8Å; Y81-V88 WeakPolarHBondContact OH-CG1 3.33Å |
| 82 | T | 78.8 | Confident | 71.2 | Confident | 69 Ų | 69 | 56 Ų | 56 | 42% | 0.423 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 142 | 174.9 | 48.8 | 0 | 0 | 0 | 0 | 109.9 | Y64 G86 L87 | Y64-T82 WeakPolarHBondContact CD1-O 3.36Å; T82-G86 WeakPolarHBondContact CA-O 3.28Å; T82-L87 HydrophobicContact CG2-CD1 3.6Å |
| 83 | N | 76.6 | Confident | 73.2 | Confident | 53 Ų | 53 | 55.8 Ų | 55.8 | 28% | 0.283 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | -177.3 | 170 | 70.4 | 16.4 | 0 | 0 | 0 | 110.3 | Y64 R85 G86 V88 | Y64-N83 HydrophobicContact CE1-CB 4.45Å; N83-R85 PolarHBondContact O-N 2.77Å; N83-R85 WeakPolarHBondContact OD1-CA 3.26Å; N83-R85 WeakPolarHBondContact OD1-CB 3.39Å; N83-R85 PolarHBondContact OD1-N 2.92Å; N83-G86 PolarHBondContact N-O 3Å; N83-G86 PolarHBondContact O-N 3.34Å; N83-G86 VanDerWaalsContact O-N 3.1Å; N83-G86 PolarHBondContact OD1-N 2.95Å; N83-G86 PolarHBondContact OD1-O 3.06Å; N83-V88 WeakPolarHBondContact ND2-CG2 3.46Å |
| 84 | E | 76.3 | Confident | 75.4 | Confident | 185 Ų | 185 | 52.9 Ų | 52.9 | 86% | 0.864 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -18.3 | -179.3 | -59.8 | -176.5 | 171 | 0 | 0 | 114.3 | ||
| 85 | R | 73 | Confident | 77.4 | Confident | 171 Ų | 171 | 50.2 Ų | 50.2 | 65% | 0.645 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -2.7 | -177.2 | -60.9 | -173.4 | 179.6 | -165.4 | 0.9 | 113.7 | N83 | N83-R85 PolarHBondContact O-N 2.77Å; N83-R85 WeakPolarHBondContact OD1-CA 3.26Å; N83-R85 WeakPolarHBondContact OD1-CB 3.39Å; N83-R85 PolarHBondContact OD1-N 2.92Å |
| 86 | G | 78.9 | Confident | 79.5 | Confident | 26 Ų | 26 | 49 Ų | 49 | 27% | 0.268 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 128.8 | -151 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T82 N83 | T82-G86 WeakPolarHBondContact CA-O 3.28Å; N83-G86 PolarHBondContact N-O 3Å; N83-G86 PolarHBondContact O-N 3.34Å; N83-G86 VanDerWaalsContact O-N 3.1Å; N83-G86 PolarHBondContact OD1-N 2.95Å; N83-G86 PolarHBondContact OD1-O 3.06Å |
| 87 | L | 86.1 | Confident | 81.3 | Confident | 35 Ų | 35 | 52 Ų | 52 | 18% | 0.183 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 138.3 | -177.1 | -167.7 | 67.2 | 0 | 0 | 0 | 110.9 | D16 V17 T18 L44 L80 T82 L89 | D16-L87 PolarHBondContact O-N 3Å; V17-L87 CarbonylContact C-O 3.57Å; V17-L87 WeakPolarHBondContact CA-O 3.34Å; V17-L87 HydrophobicContact CG2-CB 4.37Å; T18-L87 PolarHBondContact N-O 2.69Å; L44-L87 HydrophobicContact CD2-CD2 3.46Å; L44-L87 VanDerWaalsContact CD2-CD2 3.46Å; L80-L87 HydrophobicContact CD1-CD1 3.71Å; L80-L87 HydrophobicContact CD1-CD2 4.03Å; L80-L87 HydrophobicContact CD1-CG 3.78Å; L80-L87 HydrophobicContact CG-CD1 4.2Å; T82-L87 HydrophobicContact CG2-CD1 3.6Å; L87-L89 HydrophobicContact CD2-CD1 4.2Å; L87-L89 HydrophobicContact CG-CD1 4.12Å |
| 88 | V | 86.3 | Confident | 82.9 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 128.7 | -179.1 | -170.8 | 0 | 0 | 0 | 0 | 110.8 | T18 V20 L80 Y81 N83 | T18-V88 CarbonylContact O-C 3.24Å; T18-V88 VanDerWaalsContact O-CA 3.3Å; T18-V88 WeakPolarHBondContact O-CA 3.37Å; V20-V88 HydrophobicContact CG2-CG1 3.56Å; L80-V88 WeakPolarHBondContact CA-O 3.4Å; Y81-V88 HydrophobicContact CD1-CB 4.18Å; Y81-V88 HydrophobicContact CD1-CG1 4.44Å; Y81-V88 HydrophobicContact CD2-CB 4.04Å; Y81-V88 HydrophobicContact CD2-CG2 4.26Å; Y81-V88 HydrophobicContact CE1-CB 3.86Å; Y81-V88 HydrophobicContact CE1-CG1 3.68Å; Y81-V88 HydrophobicContact CE2-CB 3.69Å; Y81-V88 HydrophobicContact CE2-CG1 4.02Å; Y81-V88 HydrophobicContact CE2-CG2 3.78Å; Y81-V88 HydrophobicContact CG-CB 4.28Å; Y81-V88 VanDerWaalsContact CZ-CG1 3.43Å; Y81-V88 PolarHBondContact N-O 2.96Å; Y81-V88 PolarHBondContact O-N 2.8Å; Y81-V88 WeakPolarHBondContact OH-CG1 3.33Å; N83-V88 WeakPolarHBondContact ND2-CG2 3.46Å |
| 89 | L | 87.4 | Confident | 83.9 | Confident | 3 Ų | 3 | 48.6 Ų | 48.6 | 2% | 0.016 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 122.8 | 174.2 | -74.7 | 80.3 | 0 | 0 | 0 | 109.9 | V17 T18 L19 V20 L43 L44 K79 L80 L87 F91 | V17-L89 HydrophobicContact CG1-CD1 3.96Å; T18-L89 PolarHBondContact O-N 3.05Å; L19-L89 CarbonylContact C-O 3.51Å; L19-L89 WeakPolarHBondContact CA-O 2.99Å; L19-L89 HydrophobicContact CD2-CB 3.95Å; L19-L89 HydrophobicContact CD2-CD1 4.49Å; V20-L89 PolarHBondContact N-O 3.32Å; L43-L89 HydrophobicContact CB-CD2 4.07Å; L43-L89 HydrophobicContact CD1-CD2 3.78Å; L44-L89 HydrophobicContact CD2-CD1 3.59Å; L44-L89 HydrophobicContact CD2-CD2 4.44Å; K79-L89 CarbonylContact O-C 3.55Å; K79-L89 WeakPolarHBondContact O-CA 3.47Å; L80-L89 HydrophobicContact CD1-CD1 3.5Å; L80-L89 VanDerWaalsContact CD1-CD1 3.5Å; L80-L89 HydrophobicContact CD1-CD2 4.39Å; L80-L89 HydrophobicContact CD1-CG 3.56Å; L87-L89 HydrophobicContact CD2-CD1 4.2Å; L87-L89 HydrophobicContact CG-CD1 4.12Å; L89-F91 HydrophobicContact CB-CE2 3.69Å; L89-F91 HydrophobicContact CB-CZ 4.3Å; L89-F91 HydrophobicContact CD2-CE2 4.41Å; L89-F91 HydrophobicContact CD2-CZ 4.27Å |
| 90 | E | 86.2 | Confident | 84.7 | Confident | 30 Ų | 30 | 49.7 Ų | 49.7 | 14% | 0.14 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130.7 | -178.9 | -161.7 | -177.5 | 146.7 | 0 | 0 | 112 | V20 K79 | V20-E90 HydrophobicContact CB-CB 4.4Å; V20-E90 HydrophobicContact CB-CG 4.1Å; V20-E90 HydrophobicContact CG1-CG 4.1Å; V20-E90 CarbonylContact O-C 3.59Å; V20-E90 WeakPolarHBondContact O-CA 3.12Å; K79-E90 HydrophobicContact CB-CB 3.9Å; K79-E90 VanDerWaalsContact CD-OE2 3.3Å; K79-E90 WeakPolarHBondContact CD-OE2 3.16Å; K79-E90 WeakPolarHBondContact CE-OE1 3.48Å; K79-E90 WeakPolarHBondContact CE-OE2 3.14Å; K79-E90 HydrophobicContact CG-CB 4.31Å; K79-E90 PolarHBondContact N-O 3.06Å; K79-E90 VanDerWaalsContact NZ-CD 3.27Å; K79-E90 IonicContact NZ-OE1 2.64Å; K79-E90 PolarHBondContact NZ-OE1 3.02Å; K79-E90 IonicContact NZ-OE2 3.06Å; K79-E90 PolarHBondContact NZ-OE2 3.33Å; K79-E90 PolarHBondContact O-N 2.99Å |
| 91 | F | 85.9 | Confident | 85.4 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 1% | 0.013 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 80.1 | 178.8 | -60.9 | -91.5 | 0 | 0 | 0 | 109.2 | L19 V20 V21 S22 F78 L89 T93 V94 M99 L128 | L19-F91 HydrophobicContact CD2-CE2 4.13Å; V20-F91 PolarHBondContact O-N 2.95Å; V21-F91 WeakPolarHBondContact CA-O 3.25Å; V21-F91 HydrophobicContact CG1-CB 4.46Å; V21-F91 HydrophobicContact CG2-CB 4.18Å; V21-F91 HydrophobicContact CG2-CD2 4.16Å; S22-F91 PolarHBondContact N-O 2.78Å; S22-F91 VanDerWaalsContact N-O 3.14Å; F78-F91 AromaticContact CD1-CD1 3.45Å; F78-F91 HydrophobicContact CD1-CD1 3.45Å; F78-F91 VanDerWaalsContact CD1-CD1 3.45Å; F78-F91 AromaticContact CD1-CE1 3.46Å; F78-F91 HydrophobicContact CD1-CE1 3.46Å; F78-F91 VanDerWaalsContact CD1-CE1 3.46Å; F78-F91 HydrophobicContact CD1-CG 4.46Å; F78-F91 HydrophobicContact CD1-CZ 4.48Å; F78-F91 AromaticContact CE1-CD1 3.56Å; F78-F91 HydrophobicContact CE1-CD1 3.56Å; F78-F91 AromaticContact CE1-CE1 3.57Å; F78-F91 HydrophobicContact CE1-CE1 3.57Å; L89-F91 HydrophobicContact CB-CE2 3.69Å; L89-F91 HydrophobicContact CB-CZ 4.3Å; L89-F91 HydrophobicContact CD2-CE2 4.41Å; L89-F91 HydrophobicContact CD2-CZ 4.27Å; F91-T93 VanDerWaalsContact C-N 3.35Å; F91-T93 PolarHBondContact O-N 2.9Å; F91-V94 HydrophobicContact CB-CB 3.91Å; F91-V94 HydrophobicContact CB-CG2 3.9Å; F91-V94 HydrophobicContact CD1-CG2 4.2Å; F91-V94 HydrophobicContact CG-CG2 4.49Å; F91-M99 HydrophobicContact CD1-CE 3.93Å; F91-M99 HydrophobicContact CD2-CE 3.9Å; F91-M99 HydrophobicContact CE1-CE 4.06Å; F91-M99 HydrophobicContact CE2-CE 4.02Å; F91-M99 HydrophobicContact CG-CE 3.86Å; F91-M99 HydrophobicContact CZ-CE 4.1Å; F91-L128 HydrophobicContact CE1-CD2 3.8Å; F91-L128 HydrophobicContact CZ-CD2 4.45Å |
| 92 | P | 80.8 | Confident | 86.1 | Confident | 47 Ų | 47 | 47 Ų | 47 | 31% | 0.305 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -28.7 | -168.8 | 23.6 | -31.4 | 0 | 0 | 0 | 114 | S77 | S77-P92 WeakPolarHBondContact O-CD 3.48Š|
| 93 | T | 79.5 | Confident | 86.7 | Confident | 97 Ų | 97 | 43.7 Ų | 43.7 | 60% | 0.595 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107 | 5.2 | -174.8 | 67.5 | 0 | 0 | 0 | 0 | 113.7 | P76 F91 | P76-T93 HydrophobicContact CB-CG2 4.18Å; P76-T93 WeakPolarHBondContact CB-OG1 3.47Å; P76-T93 WeakPolarHBondContact CG-OG1 3.36Å; F91-T93 VanDerWaalsContact C-N 3.35Å; F91-T93 PolarHBondContact O-N 2.9Å |
| 94 | V | 86.5 | Confident | 87.4 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 6% | 0.055 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -91.2 | 138.3 | -176.5 | 171.4 | 0 | 0 | 0 | 0 | 110.1 | V21 S22 F91 F96 M99 L124 L127 | V21-V94 HydrophobicContact CG1-CB 4.05Å; V21-V94 HydrophobicContact CG1-CG1 4.01Å; V21-V94 WeakPolarHBondContact CG1-O 3.12Å; S22-V94 PolarHBondContact OG-O 3.26Å; F91-V94 HydrophobicContact CB-CB 3.91Å; F91-V94 HydrophobicContact CB-CG2 3.9Å; F91-V94 HydrophobicContact CD1-CG2 4.2Å; F91-V94 HydrophobicContact CG-CG2 4.49Å; V94-F96 PolarHBondContact O-N 3.17Å; V94-M99 HydrophobicContact CG1-CB 4.36Å; V94-M99 HydrophobicContact CG1-CE 4.27Å; V94-L124 HydrophobicContact CB-CD1 4.42Å; V94-L124 HydrophobicContact CG1-CD1 3.49Å; V94-L124 VanDerWaalsContact CG1-CD1 3.49Å; V94-L124 HydrophobicContact CG1-CD2 3.81Å; V94-L124 HydrophobicContact CG1-CG 4.23Å; V94-L124 HydrophobicContact CG2-CD1 4Å; V94-L127 HydrophobicContact CG2-CD2 4.1Å |
| 95 | D | 89.8 | Confident | 88.2 | Confident | 61 Ų | 61 | 36.8 Ų | 36.8 | 33% | 0.326 | 19% | 0.188 | S | C | . | . | trans | -63.1 | 123.8 | 172.9 | -176.6 | -83.1 | 0 | 0 | 0 | 111 | E97 C98 M99 K117 | D95-E97 PolarHBondContact O-N 3.07Å; D95-E97 WeakPolarHBondContact OD1-CA 3.35Å; D95-E97 WeakPolarHBondContact OD1-CB 3.39Å; D95-E97 PolarHBondContact OD1-N 2.78Å; D95-C98 HydrophobicContact CB-CB 4.18Å; D95-C98 PolarHBondContact O-N 3.49Å; D95-C98 PolarHBondContact OD1-N 2.84Å; D95-M99 PolarHBondContact O-N 2.86Å; D95-K117 IonicContact OD1-NZ 3.24Å; D95-K117 PolarHBondContact OD1-NZ 2.8Å; D95-K117 IonicContact OD2-NZ 3.56Å; D95-K117 PolarHBondContact OD2-NZ 3.16Å | ||
| 96 | F | 93.4 | Very high | 89 | Confident | 18 Ų | 18 | 29.7 Ų | 29.7 | 8% | 0.079 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.1 | -41.2 | -176.9 | 178.9 | -84.9 | 0 | 0 | 0 | 112.9 | V21 R24 I26 V94 C98 M99 E100 | V21-F96 HydrophobicContact CB-CD2 4.06Å; V21-F96 HydrophobicContact CG1-CB 4.27Å; V21-F96 HydrophobicContact CG1-CD2 4.44Å; R24-F96 HydrophobicContact CB-CD2 3.35Å; R24-F96 HydrophobicContact CB-CE2 3.32Å; R24-F96 HydrophobicContact CB-CG 4.25Å; R24-F96 HydrophobicContact CB-CZ 4.23Å; R24-F96 HydrophobicContact CG-CD2 4.18Å; R24-F96 HydrophobicContact CG-CE2 4.37Å; R24-F96 VanDerWaalsContact NH2-CD1 3.33Å; I26-F96 HydrophobicContact CD1-CD2 4.35Å; I26-F96 HydrophobicContact CD1-CE2 3.79Å; I26-F96 HydrophobicContact CD1-CZ 4.01Å; I26-F96 HydrophobicContact CG1-CD2 4.46Å; I26-F96 HydrophobicContact CG1-CE2 3.53Å; I26-F96 HydrophobicContact CG1-CZ 3.78Å; V94-F96 PolarHBondContact O-N 3.17Å; F96-C98 VanDerWaalsContact C-N 3.35Å; F96-M99 PolarHBondContact O-N 2.97Å; F96-E100 HydrophobicContact CD1-CB 4.39Å; F96-E100 HydrophobicContact CE1-CB 4.03Å; F96-E100 HydrophobicContact CE1-CG 4.46Å; F96-E100 WeakPolarHBondContact CE1-OE2 3.43Å; F96-E100 WeakPolarHBondContact O-CB 3.4Å; F96-E100 PolarHBondContact O-N 2.49Å |
| 97 | E | 93.5 | Very high | 89.6 | Confident | 94 Ų | 94 | 28.5 Ų | 28.5 | 44% | 0.439 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -68.9 | -37.2 | -175.4 | -60.6 | 176.1 | 157.7 | 0 | 0 | 110.7 | D95 E100 A101 K117 | D95-E97 PolarHBondContact O-N 3.07Å; D95-E97 WeakPolarHBondContact OD1-CA 3.35Å; D95-E97 WeakPolarHBondContact OD1-CB 3.39Å; D95-E97 PolarHBondContact OD1-N 2.78Å; E97-E100 PolarHBondContact O-N 2.8Å; E97-A101 WeakPolarHBondContact O-CB 3.27Å; E97-A101 PolarHBondContact O-N 3.31Å; E97-K117 WeakPolarHBondContact OE2-CE 3.23Å; E97-K117 IonicContact OE2-NZ 2.69Å; E97-K117 PolarHBondContact OE2-NZ 3.23Å |
| 98 | C | 94.3 | Very high | 89.7 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.007 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.8 | -45.4 | 172.6 | -67.4 | 0 | 0 | 0 | 0 | 112 | D95 F96 A101 L102 L121 L124 | D95-C98 HydrophobicContact CB-CB 4.18Å; D95-C98 PolarHBondContact O-N 3.49Å; D95-C98 PolarHBondContact OD1-N 2.84Å; F96-C98 VanDerWaalsContact C-N 3.35Å; C98-A101 PolarHBondContact O-N 2.85Å; C98-L102 PolarHBondContact O-N 2.82Å; C98-L121 HydrophobicContact CB-CB 4.48Å; C98-L121 HydrophobicContact CB-CD1 4.25Å; C98-L124 HydrophobicContact CB-CD2 3.8Å |
| 99 | M | 93.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.2 | -41.8 | 176.7 | -174.7 | 68 | 83 | 0 | 0 | 111.5 | L19 V21 I26 F91 V94 D95 F96 A101 L102 V103 L124 L128 | L19-M99 HydrophobicContact CD1-CG 4.38Å; L19-M99 HydrophobicContact CD1-SD 4.26Å; V21-M99 HydrophobicContact CG1-CB 4.17Å; V21-M99 HydrophobicContact CG2-CB 4.05Å; V21-M99 HydrophobicContact CG2-CE 4.24Å; V21-M99 HydrophobicContact CG2-CG 3.69Å; I26-M99 HydrophobicContact CD1-CB 4.4Å; I26-M99 HydrophobicContact CD1-CG 4.04Å; F91-M99 HydrophobicContact CD1-CE 3.93Å; F91-M99 HydrophobicContact CD2-CE 3.9Å; F91-M99 HydrophobicContact CE1-CE 4.06Å; F91-M99 HydrophobicContact CE2-CE 4.02Å; F91-M99 HydrophobicContact CG-CE 3.86Å; F91-M99 HydrophobicContact CZ-CE 4.1Å; V94-M99 HydrophobicContact CG1-CB 4.36Å; V94-M99 HydrophobicContact CG1-CE 4.27Å; D95-M99 PolarHBondContact O-N 2.86Å; F96-M99 PolarHBondContact O-N 2.97Å; M99-A101 VanDerWaalsContact C-N 3.31Å; M99-A101 PolarHBondContact O-N 3.38Å; M99-L102 PolarHBondContact O-N 2.83Å; M99-V103 WeakPolarHBondContact O-CG2 3.3Å; M99-V103 PolarHBondContact O-N 3.36Å; M99-L124 HydrophobicContact CB-CD2 4.04Å; M99-L124 HydrophobicContact CE-CD1 4.17Å; M99-L124 HydrophobicContact CE-CD2 4.47Å; M99-L124 HydrophobicContact SD-CD2 4.33Å; M99-L128 HydrophobicContact CE-CD1 4.06Å; M99-L128 HydrophobicContact SD-CD1 4.19Å |
| 100 | E | 93.5 | Very high | 89.9 | Confident | 72 Ų | 72 | 40.7 Ų | 40.7 | 34% | 0.336 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.4 | -38.7 | 176 | -178.2 | 169.8 | -133.1 | 0 | 0 | 111.7 | I26 F96 E97 V103 N104 | I26-E100 HydrophobicContact CD1-CB 4.14Å; F96-E100 HydrophobicContact CD1-CB 4.39Å; F96-E100 HydrophobicContact CE1-CB 4.03Å; F96-E100 HydrophobicContact CE1-CG 4.46Å; F96-E100 WeakPolarHBondContact CE1-OE2 3.43Å; F96-E100 WeakPolarHBondContact O-CB 3.4Å; F96-E100 PolarHBondContact O-N 2.49Å; E97-E100 PolarHBondContact O-N 2.8Å; E100-V103 PolarHBondContact O-N 3.43Å; E100-N104 VanDerWaalsContact O-CB 3.32Å; E100-N104 WeakPolarHBondContact O-CB 3.27Å; E100-N104 VanDerWaalsContact O-CG 3.23Å; E100-N104 PolarHBondContact O-N 3.04Å; E100-N104 PolarHBondContact O-ND2 3Å; E100-N104 VanDerWaalsContact O-ND2 3.15Å |
| 101 | A | 93.8 | Very high | 90.2 | Very high | 9 Ų | 9 | 41.6 Ų | 41.6 | 7% | 0.074 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | E97 C98 M99 N104 F105 L111 | E97-A101 WeakPolarHBondContact O-CB 3.27Å; E97-A101 PolarHBondContact O-N 3.31Å; C98-A101 PolarHBondContact O-N 2.85Å; M99-A101 VanDerWaalsContact C-N 3.31Å; M99-A101 PolarHBondContact O-N 3.38Å; A101-N104 PolarHBondContact O-N 2.89Å; A101-F105 WeakPolarHBondContact O-CB 3.49Å; A101-F105 PolarHBondContact O-N 2.85Å; A101-L111 HydrophobicContact CB-CD1 4.4Å |
| 102 | L | 93.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 174.3 | -76.1 | -179.7 | 0 | 0 | 0 | 112.3 | I36 C98 M99 F105 V106 L121 L124 L128 V133 | I36-L102 HydrophobicContact CG2-CB 4.47Å; I36-L102 HydrophobicContact CG2-CD1 4.28Å; C98-L102 PolarHBondContact O-N 2.82Å; M99-L102 PolarHBondContact O-N 2.83Å; L102-F105 WeakPolarHBondContact O-CB 3.23Å; L102-F105 PolarHBondContact O-N 2.78Å; L102-V106 PolarHBondContact O-N 2.88Å; L102-L121 HydrophobicContact CD1-CD1 4.25Å; L102-L121 HydrophobicContact CD2-CD1 3.82Å; L102-L121 HydrophobicContact CG-CD1 3.63Å; L102-L124 HydrophobicContact CD1-CD2 3.58Å; L102-L124 HydrophobicContact CD1-CG 3.68Å; L102-L124 HydrophobicContact CG-CD2 4.42Å; L102-L128 HydrophobicContact CD1-CD1 3.93Å; L102-V133 HydrophobicContact CD2-CB 4.12Å; L102-V133 HydrophobicContact CD2-CG1 3.74Å; L102-V133 HydrophobicContact CD2-CG2 3.93Å |
| 103 | V | 92.8 | Very high | 91 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.5 | -48.8 | 175.8 | 167.8 | 0 | 0 | 0 | 0 | 109.9 | L19 I26 F33 I36 M99 E100 F105 V106 Y107 | L19-V103 HydrophobicContact CD1-CG2 3.96Å; I26-V103 HydrophobicContact CG2-CB 4.49Å; I26-V103 HydrophobicContact CG2-CG1 4.07Å; I26-V103 HydrophobicContact CG2-CG2 4.25Å; F33-V103 HydrophobicContact CD1-CG2 4.47Å; F33-V103 HydrophobicContact CE1-CB 4.45Å; F33-V103 HydrophobicContact CE1-CG1 3.74Å; F33-V103 HydrophobicContact CE1-CG2 3.89Å; F33-V103 HydrophobicContact CZ-CG1 4.42Å; F33-V103 HydrophobicContact CZ-CG2 4.44Å; I36-V103 HydrophobicContact CD1-CG2 3.88Å; M99-V103 WeakPolarHBondContact O-CG2 3.3Å; M99-V103 PolarHBondContact O-N 3.36Å; E100-V103 PolarHBondContact O-N 3.43Å; V103-F105 VanDerWaalsContact C-N 3.25Å; V103-F105 PolarHBondContact O-N 3Å; V103-V106 PolarHBondContact O-N 3.03Å; V103-Y107 HydrophobicContact CG1-CD2 4.03Å; V103-Y107 HydrophobicContact CG1-CE2 4.1Å; V103-Y107 VanDerWaalsContact O-CD2 3.27Å; V103-Y107 WeakPolarHBondContact O-CD2 3.48Å; V103-Y107 PolarHBondContact O-N 3.47Å; V103-Y107 VanDerWaalsContact O-N 3.15Å |
| 104 | N | 91.4 | Very high | 91.6 | Very high | 42 Ų | 42 | 46.9 Ų | 46.9 | 23% | 0.225 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.6 | -36.5 | 177.8 | -74.5 | -34.1 | 0 | 0 | 0 | 112.2 | R9 E100 A101 Y107 S108 | R9-N104 PolarHBondContact NH2-OD1 3.46Å; E100-N104 VanDerWaalsContact O-CB 3.32Å; E100-N104 WeakPolarHBondContact O-CB 3.27Å; E100-N104 VanDerWaalsContact O-CG 3.23Å; E100-N104 PolarHBondContact O-N 3.04Å; E100-N104 PolarHBondContact O-ND2 3Å; E100-N104 VanDerWaalsContact O-ND2 3.15Å; A101-N104 PolarHBondContact O-N 2.89Å; N104-Y107 PolarHBondContact O-N 2.83Å; N104-S108 VanDerWaalsContact O-CB 3.28Å; N104-S108 WeakPolarHBondContact O-CB 3.39Å; N104-S108 PolarHBondContact O-N 2.81Å; N104-S108 PolarHBondContact O-OG 2.98Å |
| 105 | F | 91.7 | Very high | 91.7 | Very high | 51 Ų | 51 | 54.1 Ų | 54.1 | 22% | 0.224 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 174.3 | 169.3 | -113.6 | 0 | 0 | 0 | 111.5 | A101 L102 V103 Y107 S108 G109 R110 L111 V133 | A101-F105 WeakPolarHBondContact O-CB 3.49Å; A101-F105 PolarHBondContact O-N 2.85Å; L102-F105 WeakPolarHBondContact O-CB 3.23Å; L102-F105 PolarHBondContact O-N 2.78Å; V103-F105 VanDerWaalsContact C-N 3.25Å; V103-F105 PolarHBondContact O-N 3Å; F105-Y107 PolarHBondContact O-N 3Å; F105-S108 PolarHBondContact O-N 2.83Å; F105-G109 WeakPolarHBondContact O-CA 2.94Å; F105-G109 PolarHBondContact O-N 3.43Å; F105-R110 WeakPolarHBondContact CA-O 3.43Å; F105-L111 HydrophobicContact CB-CB 4.31Å; F105-L111 HydrophobicContact CB-CD1 3.89Å; F105-L111 HydrophobicContact CD2-CB 3.81Å; F105-L111 HydrophobicContact CE2-CB 4.45Å; F105-L111 HydrophobicContact CG-CB 4.22Å; F105-L111 HydrophobicContact CG-CD1 4.33Å; F105-V133 HydrophobicContact CD1-CG2 3.82Å; F105-V133 HydrophobicContact CE1-CG2 3.58Å; F105-V133 HydrophobicContact CZ-CG2 4.32Å |
| 106 | V | 90.4 | Very high | 91.7 | Very high | 22 Ų | 22 | 56 Ų | 56 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.7 | -37.2 | 176.5 | 166.8 | 0 | 0 | 0 | 0 | 112.4 | V2 L32 T35 I36 L102 V103 | V2-V106 WeakPolarHBondContact CG1-O 3.2Å; L32-V106 HydrophobicContact CB-CG1 3.84Å; L32-V106 HydrophobicContact CD2-CG1 3.99Å; L32-V106 HydrophobicContact CG-CG1 4.46Å; L32-V106 WeakPolarHBondContact O-CG1 3.31Å; T35-V106 VanDerWaalsContact OG1-CG1 3.27Å; T35-V106 WeakPolarHBondContact OG1-CG1 3.19Å; I36-V106 HydrophobicContact CG1-CG2 3.77Å; L102-V106 PolarHBondContact O-N 2.88Å; V103-V106 PolarHBondContact O-N 3.03Å |
| 107 | Y | 90.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -85.7 | -12.2 | -178.1 | -82.7 | -94.9 | 0 | 0 | 0 | 115.1 | V2 M5 N6 R9 H29 L32 F33 V103 N104 F105 | V2-Y107 VanDerWaalsContact CG1-O 3.28Å; V2-Y107 WeakPolarHBondContact CG1-O 3.27Å; M5-Y107 HydrophobicContact CB-CD1 4.36Å; M5-Y107 HydrophobicContact CB-CE1 4.06Å; M5-Y107 WeakPolarHBondContact O-CE1 3.25Å; N6-Y107 VanDerWaalsContact CA-CD1 3.42Å; N6-Y107 HydrophobicContact CB-CD1 3.71Å; N6-Y107 HydrophobicContact CB-CG 4.24Å; R9-Y107 HydrophobicContact CB-CE1 3.93Å; R9-Y107 HydrophobicContact CG-CE1 4.49Å; H29-Y107 PolarHBondContact N-OH 2.92Å; H29-Y107 AromaticContact ND1-CE1 3.77Å; H29-Y107 AromaticContact ND1-CZ 3.78Å; H29-Y107 PolarHBondContact ND1-OH 2.78Å; L32-Y107 HydrophobicContact CB-CE2 3.95Å; L32-Y107 HydrophobicContact CD1-CD1 3.51Å; L32-Y107 HydrophobicContact CD1-CD2 4.27Å; L32-Y107 HydrophobicContact CD1-CE1 3.08Å; L32-Y107 HydrophobicContact CD1-CE2 3.88Å; L32-Y107 HydrophobicContact CD1-CG 4.13Å; L32-Y107 HydrophobicContact CG-CE1 4.41Å; F33-Y107 HydrophobicContact CD1-CE2 4.24Å; F33-Y107 AromaticContact CE1-CE2 3.89Å; F33-Y107 HydrophobicContact CE1-CE2 3.89Å; V103-Y107 HydrophobicContact CG1-CD2 4.03Å; V103-Y107 HydrophobicContact CG1-CE2 4.1Å; V103-Y107 VanDerWaalsContact O-CD2 3.27Å; V103-Y107 WeakPolarHBondContact O-CD2 3.48Å; V103-Y107 PolarHBondContact O-N 3.47Å; V103-Y107 VanDerWaalsContact O-N 3.15Å; N104-Y107 PolarHBondContact O-N 2.83Å; F105-Y107 PolarHBondContact O-N 3Å |
| 108 | S | 89.1 | Confident | 91.6 | Very high | 48 Ų | 48 | 53.6 Ų | 53.6 | 34% | 0.336 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -130.2 | -14.9 | -173 | 69.2 | 0 | 0 | 0 | 0 | 114.6 | N104 F105 R110 | N104-S108 VanDerWaalsContact O-CB 3.28Å; N104-S108 WeakPolarHBondContact O-CB 3.39Å; N104-S108 PolarHBondContact O-N 2.81Å; N104-S108 PolarHBondContact O-OG 2.98Å; F105-S108 PolarHBondContact O-N 2.83Å; S108-R110 PolarHBondContact O-N 2.87Å; S108-R110 PolarHBondContact OG-N 2.87Å; S108-R110 VanDerWaalsContact OG-N 3.11Å; S108-R110 PolarHBondContact OG-O 2.56Å |
| 109 | G | 87.5 | Confident | 91.4 | Very high | 59 Ų | 59 | 55.2 Ų | 55.2 | 61% | 0.608 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 66 | 8.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F105 | F105-G109 WeakPolarHBondContact O-CA 2.94Å; F105-G109 PolarHBondContact O-N 3.43Å |
| 110 | R | 90.1 | Very high | 91.2 | Very high | 189 Ų | 189 | 56.6 Ų | 56.6 | 71% | 0.713 | 32% | 0.321 | S | S | * | . | trans | -120.3 | 120.9 | -178.6 | -65.2 | -175.3 | -179 | -168.2 | -0.6 | 110.4 | F105 S108 | F105-R110 WeakPolarHBondContact CA-O 3.43Å; S108-R110 PolarHBondContact O-N 2.87Å; S108-R110 PolarHBondContact OG-N 2.87Å; S108-R110 VanDerWaalsContact OG-N 3.11Å; S108-R110 PolarHBondContact OG-O 2.56Å | ||
| 111 | L | 92.2 | Very high | 91.2 | Very high | 50 Ų | 50 | 53.2 Ų | 53.2 | 26% | 0.262 | 31% | 0.305 | S | S | . | . | trans | -95.5 | 117.6 | 175.3 | -175.6 | 65.9 | 0 | 0 | 0 | 109 | A101 F105 L121 V133 | A101-L111 HydrophobicContact CB-CD1 4.4Å; F105-L111 HydrophobicContact CB-CB 4.31Å; F105-L111 HydrophobicContact CB-CD1 3.89Å; F105-L111 HydrophobicContact CD2-CB 3.81Å; F105-L111 HydrophobicContact CE2-CB 4.45Å; F105-L111 HydrophobicContact CG-CB 4.22Å; F105-L111 HydrophobicContact CG-CD1 4.33Å; L111-L121 HydrophobicContact CD1-CD2 3.91Å; L111-L121 HydrophobicContact CD2-CD2 3.93Å; L111-L121 HydrophobicContact CG-CD2 4.21Å; L111-V133 HydrophobicContact CD2-CG1 3.86Å | ||
| 112 | I | 92.1 | Very high | 91.1 | Very high | 139 Ų | 139 | 52.8 Ų | 52.8 | 71% | 0.713 | 30% | 0.302 | S | S | * | . | trans | -128.1 | 117.3 | 179.2 | -57.7 | 174.6 | 0 | 0 | 0 | 107.2 | ||||
| 113 | V | 91.7 | Very high | 90.8 | Very high | 37 Ų | 37 | 54 Ų | 54 | 22% | 0.224 | 31% | 0.308 | C | S | . | . | trans | -144.8 | 141.6 | -178.6 | 65 | 0 | 0 | 0 | 0 | 109.4 | K117 V118 L121 | V113-K117 HydrophobicContact CG2-CB 3.59Å; V113-V118 HydrophobicContact CG1-CG2 3.86Å; V113-L121 HydrophobicContact CB-CD2 4.16Å; V113-L121 HydrophobicContact CG1-CD2 3.84Å; V113-L121 HydrophobicContact CG2-CD2 4.28Å | ||
| 114 | P | 91.9 | Very high | 90.7 | Very high | 82 Ų | 82 | 54.2 Ų | 54.2 | 53% | 0.532 | 31% | 0.309 | S | S | . | . | trans | -59.4 | 145.8 | 172.3 | -23.5 | 34.1 | 0 | 0 | 0 | 111.7 | A116 K117 | P114-A116 PolarHBondContact O-N 2.8Å; P114-A116 VanDerWaalsContact O-N 3.16Å; P114-K117 HydrophobicContact CB-CG 4.37Å; P114-K117 HydrophobicContact CG-CG 4.45Å; P114-K117 PolarHBondContact O-N 2.98Å | ||
| 115 | K | 89.6 | Confident | 90.7 | Very high | 161 Ų | 161 | 52.2 Ų | 52.2 | 70% | 0.7 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -51.9 | -42.6 | -179.6 | -60.8 | -167.9 | 176.3 | -174.5 | 0 | 112.8 | K117 V118 Y140 | K115-K117 PolarHBondContact O-N 2.98Å; K115-K117 VanDerWaalsContact O-N 3.15Å; K115-V118 PolarHBondContact O-N 2.85Å; K115-Y140 WeakPolarHBondContact CD-OH 3.36Å; K115-Y140 VanDerWaalsContact CG-OH 3.3Å; K115-Y140 WeakPolarHBondContact CG-OH 3.47Å |
| 116 | A | 89.4 | Confident | 90.4 | Very high | 99 Ų | 99 | 50.6 Ų | 50.6 | 82% | 0.818 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -64.2 | -16.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | P114 | P114-A116 PolarHBondContact O-N 2.8Å; P114-A116 VanDerWaalsContact O-N 3.16Å |
| 117 | K | 91.5 | Very high | 90.1 | Very high | 54 Ų | 54 | 50.1 Ų | 50.1 | 24% | 0.235 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -102.9 | -3.8 | -176.6 | -69 | -79.3 | 177.8 | 141 | 0 | 113.1 | D95 E97 V113 P114 K115 S119 G120 L121 | D95-K117 IonicContact OD1-NZ 3.24Å; D95-K117 PolarHBondContact OD1-NZ 2.8Å; D95-K117 IonicContact OD2-NZ 3.56Å; D95-K117 PolarHBondContact OD2-NZ 3.16Å; E97-K117 WeakPolarHBondContact OE2-CE 3.23Å; E97-K117 IonicContact OE2-NZ 2.69Å; E97-K117 PolarHBondContact OE2-NZ 3.23Å; V113-K117 HydrophobicContact CG2-CB 3.59Å; P114-K117 HydrophobicContact CB-CG 4.37Å; P114-K117 HydrophobicContact CG-CG 4.45Å; P114-K117 PolarHBondContact O-N 2.98Å; K115-K117 PolarHBondContact O-N 2.98Å; K115-K117 VanDerWaalsContact O-N 3.15Å; K117-S119 PolarHBondContact O-N 2.79Å; K117-G120 PolarHBondContact O-N 3.04Å; K117-L121 WeakPolarHBondContact O-CB 3.43Å; K117-L121 PolarHBondContact O-N 3.02Å |
| 118 | V | 93.2 | Very high | 89.9 | Confident | 8 Ų | 8 | 50.1 Ų | 50.1 | 5% | 0.048 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63 | -39.1 | -176.8 | 179.5 | 0 | 0 | 0 | 0 | 112.3 | V113 K115 L121 Y122 C137 Y140 L141 | V113-V118 HydrophobicContact CG1-CG2 3.86Å; K115-V118 PolarHBondContact O-N 2.85Å; V118-L121 PolarHBondContact O-N 2.95Å; V118-Y122 WeakPolarHBondContact O-CB 3.15Å; V118-Y122 PolarHBondContact O-N 3.12Å; V118-C137 HydrophobicContact CG1-CB 4.02Å; V118-Y140 HydrophobicContact CB-CD1 4.03Å; V118-Y140 HydrophobicContact CB-CE1 4.23Å; V118-Y140 HydrophobicContact CG1-CD1 3.62Å; V118-Y140 HydrophobicContact CG1-CE1 4.31Å; V118-Y140 HydrophobicContact CG1-CG 4.26Å; V118-Y140 HydrophobicContact CG2-CD1 3.9Å; V118-Y140 HydrophobicContact CG2-CE1 3.81Å; V118-L141 HydrophobicContact CG1-CD2 4.26Å; V118-L141 HydrophobicContact CG1-CG 4.19Å |
| 119 | S | 89.3 | Confident | 89.8 | Confident | 36 Ų | 36 | 52.7 Ų | 52.7 | 25% | 0.252 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 175 | 161.5 | 0 | 0 | 0 | 0 | 111.9 | K117 L121 Y122 D123 C156 | K117-S119 PolarHBondContact O-N 2.79Å; S119-L121 VanDerWaalsContact C-N 3.29Å; S119-L121 PolarHBondContact O-N 3.08Å; S119-Y122 WeakPolarHBondContact O-CB 3.44Å; S119-Y122 PolarHBondContact O-N 2.74Å; S119-D123 PolarHBondContact O-N 3.03Å; S119-C156 PolarHBondContact OG-SG 3.19Å |
| 120 | G | 89.9 | Confident | 89.9 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.2 | -32.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K117 L124 | K117-G120 PolarHBondContact O-N 3.04Å; G120-L124 WeakPolarHBondContact O-CB 3.45Å; G120-L124 PolarHBondContact O-N 2.89Å; G120-L124 VanDerWaalsContact O-N 3.08Å |
| 121 | L | 93.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.2 | -39.9 | 173.6 | 179.9 | 65.1 | 0 | 0 | 0 | 111.9 | C98 L102 L111 V113 K117 V118 S119 L124 A125 V133 | C98-L121 HydrophobicContact CB-CB 4.48Å; C98-L121 HydrophobicContact CB-CD1 4.25Å; L102-L121 HydrophobicContact CD1-CD1 4.25Å; L102-L121 HydrophobicContact CD2-CD1 3.82Å; L102-L121 HydrophobicContact CG-CD1 3.63Å; L111-L121 HydrophobicContact CD1-CD2 3.91Å; L111-L121 HydrophobicContact CD2-CD2 3.93Å; L111-L121 HydrophobicContact CG-CD2 4.21Å; V113-L121 HydrophobicContact CB-CD2 4.16Å; V113-L121 HydrophobicContact CG1-CD2 3.84Å; V113-L121 HydrophobicContact CG2-CD2 4.28Å; K117-L121 WeakPolarHBondContact O-CB 3.43Å; K117-L121 PolarHBondContact O-N 3.02Å; V118-L121 PolarHBondContact O-N 2.95Å; S119-L121 VanDerWaalsContact C-N 3.29Å; S119-L121 PolarHBondContact O-N 3.08Å; L121-L124 PolarHBondContact O-N 3.08Å; L121-A125 WeakPolarHBondContact O-CB 3.15Å; L121-A125 PolarHBondContact O-N 2.89Å; L121-V133 HydrophobicContact CD2-CG1 4.31Å; L121-V133 HydrophobicContact CG-CG1 4.29Å |
| 122 | Y | 92 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.3 | -49.5 | 172.4 | 174 | -99.5 | 0 | 0 | 0 | 110.4 | V118 S119 L124 A125 C126 A134 C137 A138 L141 C156 F160 D162 L165 | V118-Y122 WeakPolarHBondContact O-CB 3.15Å; V118-Y122 PolarHBondContact O-N 3.12Å; S119-Y122 WeakPolarHBondContact O-CB 3.44Å; S119-Y122 PolarHBondContact O-N 2.74Å; Y122-L124 VanDerWaalsContact C-N 3.28Å; Y122-L124 PolarHBondContact O-N 2.48Å; Y122-A125 PolarHBondContact O-N 2.93Å; Y122-A125 VanDerWaalsContact O-N 3.09Å; Y122-C126 VanDerWaalsContact CZ-SG 3.56Å; Y122-C126 PolarHBondContact O-N 3Å; Y122-C126 PolarHBondContact O-SG 2.59Å; Y122-A134 HydrophobicContact CD2-CB 4.47Å; Y122-A134 WeakPolarHBondContact CD2-O 3.43Å; Y122-A134 HydrophobicContact CE2-CB 4.43Å; Y122-C137 HydrophobicContact CD2-CB 4Å; Y122-C137 HydrophobicContact CG-CB 4.35Å; Y122-A138 HydrophobicContact CD2-CB 4.3Å; Y122-A138 HydrophobicContact CE2-CB 3.86Å; Y122-L141 HydrophobicContact CD1-CD1 4.44Å; Y122-L141 HydrophobicContact CG-CD1 4.08Å; Y122-C156 HydrophobicContact CD1-CB 3.85Å; Y122-C156 HydrophobicContact CE1-CB 3.86Å; Y122-F160 HydrophobicContact CE1-CD2 4.3Å; Y122-D162 WeakPolarHBondContact OH-CB 3.37Å; Y122-D162 PolarHBondContact OH-OD2 2.93Å; Y122-L165 HydrophobicContact CE1-CD2 4.06Å; Y122-L165 HydrophobicContact CE2-CD2 4.15Å; Y122-L165 WeakPolarHBondContact OH-CD2 3.26Å |
| 123 | D | 87.7 | Confident | 89.6 | Confident | 28 Ų | 28 | 41.2 Ų | 41.2 | 15% | 0.15 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -55.7 | -44.6 | 176.6 | -78 | -9.1 | 0 | 0 | 0 | 111.6 | S119 L127 C156 R159 F160 | S119-D123 PolarHBondContact O-N 3.03Å; D123-L127 WeakPolarHBondContact O-CB 3.45Å; D123-L127 PolarHBondContact O-N 2.69Å; D123-C156 PolarHBondContact OD1-SG 3.39Å; D123-R159 IonicContact OD1-NH1 3.87Å; D123-R159 IonicContact OD2-CZ 4Å; D123-R159 IonicContact OD2-NH1 3.13Å; D123-R159 PolarHBondContact OD2-NH1 2.76Å; D123-F160 HydrophobicContact CB-CE2 4.16Å; D123-F160 HydrophobicContact CB-CZ 4.46Å; D123-F160 WeakPolarHBondContact O-CZ 3.42Å |
| 124 | L | 89.7 | Confident | 89.6 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.8 | -41 | 177.2 | -178 | 57.8 | 0 | 0 | 0 | 112.4 | V94 C98 M99 L102 G120 L121 Y122 L127 L128 | V94-L124 HydrophobicContact CB-CD1 4.42Å; V94-L124 HydrophobicContact CG1-CD1 3.49Å; V94-L124 VanDerWaalsContact CG1-CD1 3.49Å; V94-L124 HydrophobicContact CG1-CD2 3.81Å; V94-L124 HydrophobicContact CG1-CG 4.23Å; V94-L124 HydrophobicContact CG2-CD1 4Å; C98-L124 HydrophobicContact CB-CD2 3.8Å; M99-L124 HydrophobicContact CB-CD2 4.04Å; M99-L124 HydrophobicContact CE-CD1 4.17Å; M99-L124 HydrophobicContact CE-CD2 4.47Å; M99-L124 HydrophobicContact SD-CD2 4.33Å; L102-L124 HydrophobicContact CD1-CD2 3.58Å; L102-L124 HydrophobicContact CD1-CG 3.68Å; L102-L124 HydrophobicContact CG-CD2 4.42Å; G120-L124 WeakPolarHBondContact O-CB 3.45Å; G120-L124 PolarHBondContact O-N 2.89Å; G120-L124 VanDerWaalsContact O-N 3.08Å; L121-L124 PolarHBondContact O-N 3.08Å; Y122-L124 VanDerWaalsContact C-N 3.28Å; Y122-L124 PolarHBondContact O-N 2.48Å; L124-L127 HydrophobicContact CD1-CD2 4.25Å; L124-L127 WeakPolarHBondContact O-CB 3.4Å; L124-L127 PolarHBondContact O-N 2.8Å; L124-L128 HydrophobicContact CD1-CD1 3.7Å; L124-L128 HydrophobicContact CD1-CD2 4.47Å; L124-L128 HydrophobicContact CD1-CG 3.87Å; L124-L128 HydrophobicContact CG-CD1 3.97Å; L124-L128 HydrophobicContact CG-CG 4.42Å; L124-L128 WeakPolarHBondContact O-CB 3.45Å; L124-L128 VanDerWaalsContact O-CG 3.3Å; L124-L128 WeakPolarHBondContact O-CG 3.28Å; L124-L128 PolarHBondContact O-N 2.72Å |
| 125 | A | 91 | Very high | 89.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.1 | -44 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L121 Y122 L128 H129 C130 V133 A134 | L121-A125 WeakPolarHBondContact O-CB 3.15Å; L121-A125 PolarHBondContact O-N 2.89Å; Y122-A125 PolarHBondContact O-N 2.93Å; Y122-A125 VanDerWaalsContact O-N 3.09Å; A125-L128 PolarHBondContact O-N 3.28Å; A125-H129 PolarHBondContact O-N 2.83Å; A125-C130 HydrophobicContact CB-CB 4.17Å; A125-C130 PolarHBondContact O-N 3.06Å; A125-V133 HydrophobicContact CB-CB 4.05Å; A125-V133 HydrophobicContact CB-CG1 3.94Å; A125-A134 HydrophobicContact CB-CB 3.93Å |
| 126 | C | 86.7 | Confident | 89.7 | Confident | 17 Ų | 17 | 38.2 Ų | 38.2 | 12% | 0.115 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.2 | -42.7 | 174.3 | -64.5 | 0 | 0 | 0 | 0 | 111.6 | Y122 L128 H129 F160 | Y122-C126 VanDerWaalsContact CZ-SG 3.56Å; Y122-C126 PolarHBondContact O-N 3Å; Y122-C126 PolarHBondContact O-SG 2.59Å; C126-L128 VanDerWaalsContact C-N 3.28Å; C126-L128 PolarHBondContact O-N 2.86Å; C126-H129 PolarHBondContact O-N 2.83Å; C126-H129 VanDerWaalsContact O-N 3.16Å; C126-F160 HydrophobicContact CB-CB 3.86Å; C126-F160 HydrophobicContact CB-CD1 3.29Å; C126-F160 HydrophobicContact CB-CD2 3.42Å; C126-F160 VanDerWaalsContact CB-CD2 3.42Å; C126-F160 HydrophobicContact CB-CE1 3.53Å; C126-F160 HydrophobicContact CB-CE2 3.69Å; C126-F160 HydrophobicContact CB-CG 3.21Å; C126-F160 HydrophobicContact CB-CZ 3.72Å |
| 127 | L | 84.1 | Confident | 89.9 | Confident | 12 Ų | 12 | 33.6 Ų | 33.6 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -55.8 | -41.8 | 175.6 | 176.9 | 65 | 0 | 0 | 0 | 112.2 | I39 L75 P76 F78 V94 D123 L124 H129 F160 | I39-L127 WeakPolarHBondContact CD1-O 3.23Å; L75-L127 HydrophobicContact CB-CD1 3.96Å; L75-L127 HydrophobicContact CD1-CD1 4.28Å; L75-L127 HydrophobicContact CD2-CD1 3.33Å; L75-L127 HydrophobicContact CG-CD1 4.02Å; P76-L127 HydrophobicContact CG-CD1 4.23Å; P76-L127 HydrophobicContact CG-CD2 3.77Å; F78-L127 HydrophobicContact CE1-CD2 4.16Å; F78-L127 HydrophobicContact CE1-CG 4.42Å; F78-L127 HydrophobicContact CZ-CD1 3.73Å; F78-L127 HydrophobicContact CZ-CD2 4.1Å; F78-L127 HydrophobicContact CZ-CG 3.94Å; V94-L127 HydrophobicContact CG2-CD2 4.1Å; D123-L127 WeakPolarHBondContact O-CB 3.45Å; D123-L127 PolarHBondContact O-N 2.69Å; L124-L127 HydrophobicContact CD1-CD2 4.25Å; L124-L127 WeakPolarHBondContact O-CB 3.4Å; L124-L127 PolarHBondContact O-N 2.8Å; L127-H129 VanDerWaalsContact C-N 3.35Å; L127-F160 HydrophobicContact CB-CE1 4.27Å; L127-F160 HydrophobicContact CB-CZ 4.35Å |
| 128 | L | 86 | Confident | 89.9 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 1.3 | -177.3 | -60.9 | 179.2 | 0 | 0 | 0 | 113.7 | I36 G37 G38 I39 V40 F91 M99 L102 L124 A125 C126 C130 | I36-L128 HydrophobicContact CG2-CD1 3.73Å; G37-L128 CarbonylContact C-O 3.4Å; G37-L128 VanDerWaalsContact C-O 3.24Å; G37-L128 VanDerWaalsContact CA-O 3.26Å; G37-L128 WeakPolarHBondContact CA-O 3.48Å; G38-L128 PolarHBondContact N-O 2.78Å; I39-L128 PolarHBondContact N-O 3.3Å; V40-L128 HydrophobicContact CG2-CD1 4.33Å; V40-L128 HydrophobicContact CG2-CD2 3.91Å; V40-L128 HydrophobicContact CG2-CG 4.5Å; F91-L128 HydrophobicContact CE1-CD2 3.8Å; F91-L128 HydrophobicContact CZ-CD2 4.45Å; M99-L128 HydrophobicContact CE-CD1 4.06Å; M99-L128 HydrophobicContact SD-CD1 4.19Å; L102-L128 HydrophobicContact CD1-CD1 3.93Å; L124-L128 HydrophobicContact CD1-CD1 3.7Å; L124-L128 HydrophobicContact CD1-CD2 4.47Å; L124-L128 HydrophobicContact CD1-CG 3.87Å; L124-L128 HydrophobicContact CG-CD1 3.97Å; L124-L128 HydrophobicContact CG-CG 4.42Å; L124-L128 WeakPolarHBondContact O-CB 3.45Å; L124-L128 VanDerWaalsContact O-CG 3.3Å; L124-L128 WeakPolarHBondContact O-CG 3.28Å; L124-L128 PolarHBondContact O-N 2.72Å; A125-L128 PolarHBondContact O-N 3.28Å; C126-L128 VanDerWaalsContact C-N 3.28Å; C126-L128 PolarHBondContact O-N 2.86Å; L128-C130 VanDerWaalsContact C-N 3.34Å |
| 129 | H | 85.7 | Confident | 89.8 | Confident | 102 Ų | 102 | 36.1 Ų | 36.1 | 47% | 0.472 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 49.5 | -168.4 | -58.7 | -61.6 | 0 | 0 | 0 | 112.2 | G37 G38 I39 A125 C126 L127 | G37-H129 WeakPolarHBondContact CA-O 3.46Å; G38-H129 PolarHBondContact N-O 2.79Å; G38-H129 VanDerWaalsContact N-O 3.11Å; I39-H129 WeakPolarHBondContact CG1-CD2 3.36Å; A125-H129 PolarHBondContact O-N 2.83Å; C126-H129 PolarHBondContact O-N 2.83Å; C126-H129 VanDerWaalsContact O-N 3.16Å; L127-H129 VanDerWaalsContact C-N 3.35Å |
| 130 | C | 89.1 | Confident | 90 | Very high | 11 Ų | 11 | 38 Ų | 38 | 7% | 0.074 | 20% | 0.197 | C | C | . | . | trans | -97.2 | 70.2 | 170.7 | -167.7 | 0 | 0 | 0 | 0 | 110 | I36 A125 L128 S132 V133 A134 | I36-C130 WeakPolarHBondContact O-CB 3.19Å; I36-C130 PolarHBondContact O-SG 3.49Å; A125-C130 HydrophobicContact CB-CB 4.17Å; A125-C130 PolarHBondContact O-N 3.06Å; L128-C130 VanDerWaalsContact C-N 3.34Å; C130-S132 PolarHBondContact O-N 3.31Å; C130-S132 VanDerWaalsContact O-N 3.13Å; C130-V133 HydrophobicContact CB-CB 4.49Å; C130-V133 PolarHBondContact O-N 2.84Å; C130-V133 WeakPolarHBondContact SG-CG2 3.21Å; C130-A134 PolarHBondContact O-N 3.19Å | ||
| 131 | D | 87.4 | Confident | 90.2 | Very high | 118 Ų | 118 | 37.1 Ų | 37.1 | 63% | 0.631 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -57.6 | -35.6 | -169.7 | -53.9 | -35.9 | 0 | 0 | 0 | 113.1 | V133 A134 R135 | D131-V133 PolarHBondContact O-N 3.05Å; D131-A134 PolarHBondContact O-N 2.8Å; D131-R135 VanDerWaalsContact O-CB 3.3Å; D131-R135 WeakPolarHBondContact O-CB 3.27Å; D131-R135 PolarHBondContact O-N 2.83Å |
| 132 | S | 89.4 | Confident | 90 | Very high | 66 Ų | 66 | 38.7 Ų | 38.7 | 46% | 0.462 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.9 | -42 | 178.5 | 66.1 | 0 | 0 | 0 | 0 | 113 | C130 I136 | C130-S132 PolarHBondContact O-N 3.31Å; C130-S132 VanDerWaalsContact O-N 3.13Å; S132-I136 WeakPolarHBondContact O-CD1 3.41Å; S132-I136 VanDerWaalsContact O-CG1 3.29Å; S132-I136 WeakPolarHBondContact O-CG1 3.16Å; S132-I136 PolarHBondContact O-N 3.06Å |
| 133 | V | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -78.4 | -39.1 | 178.1 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | L102 F105 L111 L121 A125 C130 D131 R135 I136 C137 | L102-V133 HydrophobicContact CD2-CB 4.12Å; L102-V133 HydrophobicContact CD2-CG1 3.74Å; L102-V133 HydrophobicContact CD2-CG2 3.93Å; F105-V133 HydrophobicContact CD1-CG2 3.82Å; F105-V133 HydrophobicContact CE1-CG2 3.58Å; F105-V133 HydrophobicContact CZ-CG2 4.32Å; L111-V133 HydrophobicContact CD2-CG1 3.86Å; L121-V133 HydrophobicContact CD2-CG1 4.31Å; L121-V133 HydrophobicContact CG-CG1 4.29Å; A125-V133 HydrophobicContact CB-CB 4.05Å; A125-V133 HydrophobicContact CB-CG1 3.94Å; C130-V133 HydrophobicContact CB-CB 4.49Å; C130-V133 PolarHBondContact O-N 2.84Å; C130-V133 WeakPolarHBondContact SG-CG2 3.21Å; D131-V133 PolarHBondContact O-N 3.05Å; V133-R135 VanDerWaalsContact C-N 3.33Å; V133-R135 PolarHBondContact O-N 2.97Å; V133-I136 PolarHBondContact O-N 2.85Å; V133-C137 WeakPolarHBondContact O-CB 3.4Å; V133-C137 PolarHBondContact O-N 2.83Å; V133-C137 PolarHBondContact O-SG 3.02Å |
| 134 | A | 91 | Very high | 90.3 | Very high | 9 Ų | 9 | 44.5 Ų | 44.5 | 7% | 0.074 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.1 | -47.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y122 A125 C130 D131 I136 C137 A138 | Y122-A134 HydrophobicContact CD2-CB 4.47Å; Y122-A134 WeakPolarHBondContact CD2-O 3.43Å; Y122-A134 HydrophobicContact CE2-CB 4.43Å; A125-A134 HydrophobicContact CB-CB 3.93Å; C130-A134 PolarHBondContact O-N 3.19Å; D131-A134 PolarHBondContact O-N 2.8Å; A134-I136 PolarHBondContact O-N 2.98Å; A134-C137 PolarHBondContact O-N 3.18Å; A134-A138 WeakPolarHBondContact O-CB 3.47Å; A134-A138 PolarHBondContact O-N 2.77Å |
| 135 | R | 90.4 | Very high | 90.5 | Very high | 138 Ų | 138 | 45.6 Ų | 45.6 | 52% | 0.521 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.7 | -46.6 | 176.3 | -174.2 | -176.3 | 62.5 | 78.5 | 4.8 | 112.6 | D131 V133 C137 A138 E139 | D131-R135 VanDerWaalsContact O-CB 3.3Å; D131-R135 WeakPolarHBondContact O-CB 3.27Å; D131-R135 PolarHBondContact O-N 2.83Å; V133-R135 VanDerWaalsContact C-N 3.33Å; V133-R135 PolarHBondContact O-N 2.97Å; R135-C137 VanDerWaalsContact C-N 3.33Å; R135-C137 PolarHBondContact O-N 2.86Å; R135-A138 PolarHBondContact O-N 2.9Å; R135-E139 IonicContact CZ-OE1 2.76Å; R135-E139 VanDerWaalsContact NH1-CD 3.3Å; R135-E139 IonicContact NH1-OE1 2.95Å; R135-E139 PolarHBondContact NH1-OE1 2.82Å; R135-E139 IonicContact NH1-OE2 3.47Å; R135-E139 PolarHBondContact NH1-OE2 2.86Å; R135-E139 WeakPolarHBondContact O-CG 3.31Å; R135-E139 PolarHBondContact O-N 2.75Å |
| 136 | I | 92.6 | Very high | 90.6 | Very high | 70 Ų | 70 | 48 Ų | 48 | 36% | 0.359 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 179 | -67.9 | 166.1 | 0 | 0 | 0 | 110.9 | S132 V133 A134 E139 Y140 | S132-I136 WeakPolarHBondContact O-CD1 3.41Å; S132-I136 VanDerWaalsContact O-CG1 3.29Å; S132-I136 WeakPolarHBondContact O-CG1 3.16Å; S132-I136 PolarHBondContact O-N 3.06Å; V133-I136 PolarHBondContact O-N 2.85Å; A134-I136 PolarHBondContact O-N 2.98Å; I136-E139 PolarHBondContact O-N 3.07Å; I136-Y140 PolarHBondContact O-N 3.49Å |
| 137 | C | 93.5 | Very high | 90.8 | Very high | 3 Ų | 3 | 48.9 Ų | 48.9 | 2% | 0.02 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.7 | -41 | 177.3 | -62 | 0 | 0 | 0 | 0 | 111.2 | V118 Y122 V133 A134 R135 Y140 L141 | V118-C137 HydrophobicContact CG1-CB 4.02Å; Y122-C137 HydrophobicContact CD2-CB 4Å; Y122-C137 HydrophobicContact CG-CB 4.35Å; V133-C137 WeakPolarHBondContact O-CB 3.4Å; V133-C137 PolarHBondContact O-N 2.83Å; V133-C137 PolarHBondContact O-SG 3.02Å; A134-C137 PolarHBondContact O-N 3.18Å; R135-C137 VanDerWaalsContact C-N 3.33Å; R135-C137 PolarHBondContact O-N 2.86Å; C137-Y140 PolarHBondContact O-N 2.9Å; C137-L141 WeakPolarHBondContact O-CB 3.42Å; C137-L141 VanDerWaalsContact O-CG 3.23Å; C137-L141 WeakPolarHBondContact O-CG 3.41Å; C137-L141 PolarHBondContact O-N 3.38Å |
| 138 | A | 91.8 | Very high | 91 | Very high | 11 Ų | 11 | 51.5 Ų | 51.5 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60 | -46.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y122 A134 R135 Y140 L141 C142 L165 | Y122-A138 HydrophobicContact CD2-CB 4.3Å; Y122-A138 HydrophobicContact CE2-CB 3.86Å; A134-A138 WeakPolarHBondContact O-CB 3.47Å; A134-A138 PolarHBondContact O-N 2.77Å; R135-A138 PolarHBondContact O-N 2.9Å; A138-Y140 VanDerWaalsContact C-N 3.31Å; A138-Y140 PolarHBondContact O-N 2.91Å; A138-L141 PolarHBondContact O-N 3.02Å; A138-C142 WeakPolarHBondContact O-CB 3.46Å; A138-C142 PolarHBondContact O-N 3.43Å; A138-C142 PolarHBondContact O-SG 3.14Å; A138-C142 VanDerWaalsContact O-SG 3.4Å; A138-L165 HydrophobicContact CB-CD2 4.28Å |
| 139 | E | 91.8 | Very high | 91.1 | Very high | 104 Ų | 104 | 53.5 Ų | 53.5 | 49% | 0.486 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.1 | -43.1 | 174.9 | -76.1 | 170.2 | -175 | 0 | 0 | 111.9 | R135 I136 A143 | R135-E139 IonicContact CZ-OE1 2.76Å; R135-E139 VanDerWaalsContact NH1-CD 3.3Å; R135-E139 IonicContact NH1-OE1 2.95Å; R135-E139 PolarHBondContact NH1-OE1 2.82Å; R135-E139 IonicContact NH1-OE2 3.47Å; R135-E139 PolarHBondContact NH1-OE2 2.86Å; R135-E139 WeakPolarHBondContact O-CG 3.31Å; R135-E139 PolarHBondContact O-N 2.75Å; I136-E139 PolarHBondContact O-N 3.07Å; E139-A143 WeakPolarHBondContact O-CB 3.12Å; E139-A143 PolarHBondContact O-N 2.72Å |
| 140 | Y | 93.9 | Very high | 91.5 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 29% | 0.29 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.9 | -46.1 | 176 | -178.2 | -88.1 | 0 | 0 | 0 | 112.3 | K115 V118 I136 C137 A138 A143 N144 | K115-Y140 WeakPolarHBondContact CD-OH 3.36Å; K115-Y140 VanDerWaalsContact CG-OH 3.3Å; K115-Y140 WeakPolarHBondContact CG-OH 3.47Å; V118-Y140 HydrophobicContact CB-CD1 4.03Å; V118-Y140 HydrophobicContact CB-CE1 4.23Å; V118-Y140 HydrophobicContact CG1-CD1 3.62Å; V118-Y140 HydrophobicContact CG1-CE1 4.31Å; V118-Y140 HydrophobicContact CG1-CG 4.26Å; V118-Y140 HydrophobicContact CG2-CD1 3.9Å; V118-Y140 HydrophobicContact CG2-CE1 3.81Å; I136-Y140 PolarHBondContact O-N 3.49Å; C137-Y140 PolarHBondContact O-N 2.9Å; A138-Y140 VanDerWaalsContact C-N 3.31Å; A138-Y140 PolarHBondContact O-N 2.91Å; Y140-A143 PolarHBondContact O-N 3.44Å; Y140-N144 HydrophobicContact CE1-CB 4.4Å; Y140-N144 WeakPolarHBondContact CE2-ND2 3.17Å; Y140-N144 PolarHBondContact O-N 3.05Å; Y140-N144 VanDerWaalsContact O-N 3.09Å; Y140-N144 PolarHBondContact O-ND2 2.88Å |
| 141 | L | 92.7 | Very high | 91.6 | Very high | 12 Ų | 12 | 48.1 Ų | 48.1 | 6% | 0.063 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.7 | -47.7 | 179.5 | -71.7 | 168.4 | 0 | 0 | 0 | 110.2 | V118 Y122 C137 A138 A143 N144 L145 T153 | V118-L141 HydrophobicContact CG1-CD2 4.26Å; V118-L141 HydrophobicContact CG1-CG 4.19Å; Y122-L141 HydrophobicContact CD1-CD1 4.44Å; Y122-L141 HydrophobicContact CG-CD1 4.08Å; C137-L141 WeakPolarHBondContact O-CB 3.42Å; C137-L141 VanDerWaalsContact O-CG 3.23Å; C137-L141 WeakPolarHBondContact O-CG 3.41Å; C137-L141 PolarHBondContact O-N 3.38Å; A138-L141 PolarHBondContact O-N 3.02Å; L141-A143 PolarHBondContact O-N 2.83Å; L141-N144 CarbonylContact O-C 3.48Å; L141-N144 PolarHBondContact O-N 2.81Å; L141-L145 WeakPolarHBondContact O-CG 3.45Å; L141-L145 PolarHBondContact O-N 3.38Å; L141-L145 VanDerWaalsContact O-N 3.09Å; L141-T153 HydrophobicContact CB-CG2 3.89Å; L141-T153 HydrophobicContact CD1-CG2 4.32Å |
| 142 | C | 91.2 | Very high | 91.7 | Very high | 33 Ų | 33 | 44.3 Ų | 44.3 | 22% | 0.223 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55.1 | -48.8 | 173.4 | -76.2 | 0 | 0 | 0 | 0 | 112.7 | A138 N144 L145 L165 L168 | A138-C142 WeakPolarHBondContact O-CB 3.46Å; A138-C142 PolarHBondContact O-N 3.43Å; A138-C142 PolarHBondContact O-SG 3.14Å; A138-C142 VanDerWaalsContact O-SG 3.4Å; C142-N144 PolarHBondContact O-N 2.84Å; C142-L145 PolarHBondContact O-N 2.72Å; C142-L165 WeakPolarHBondContact SG-CD1 3.48Å; C142-L168 VanDerWaalsContact SG-CD1 3.56Å |
| 143 | A | 93 | Very high | 91.7 | Very high | 83 Ų | 83 | 41.3 Ų | 41.3 | 69% | 0.686 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -68.5 | -17 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E139 Y140 L141 | E139-A143 WeakPolarHBondContact O-CB 3.12Å; E139-A143 PolarHBondContact O-N 2.72Å; Y140-A143 PolarHBondContact O-N 3.44Å; L141-A143 PolarHBondContact O-N 2.83Å |
| 144 | N | 93 | Very high | 91.7 | Very high | 67 Ų | 67 | 41.3 Ų | 41.3 | 36% | 0.358 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120 | 25.3 | -179 | -63.5 | -95.7 | 0 | 0 | 0 | 111.8 | Y140 L141 C142 C146 N149 | Y140-N144 HydrophobicContact CE1-CB 4.4Å; Y140-N144 WeakPolarHBondContact CE2-ND2 3.17Å; Y140-N144 PolarHBondContact O-N 3.05Å; Y140-N144 VanDerWaalsContact O-N 3.09Å; Y140-N144 PolarHBondContact O-ND2 2.88Å; L141-N144 CarbonylContact O-C 3.48Å; L141-N144 PolarHBondContact O-N 2.81Å; C142-N144 PolarHBondContact O-N 2.84Å; N144-C146 PolarHBondContact O-N 3.28Å; N144-N149 PolarHBondContact O-ND2 3.07Å |
| 145 | L | 93.4 | Very high | 91.5 | Very high | 28 Ų | 28 | 44.6 Ų | 44.6 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | trans | -61.3 | 133.8 | 173.9 | -79.8 | 170.2 | 0 | 0 | 0 | 110.9 | L141 C142 N149 C150 T153 V169 Y172 | L141-L145 WeakPolarHBondContact O-CG 3.45Å; L141-L145 PolarHBondContact O-N 3.38Å; L141-L145 VanDerWaalsContact O-N 3.09Å; C142-L145 PolarHBondContact O-N 2.72Å; L145-N149 WeakPolarHBondContact CA-OD1 3.38Å; L145-C150 HydrophobicContact CD2-CB 4.32Å; L145-T153 HydrophobicContact CD2-CG2 4.14Å; L145-V169 HydrophobicContact CD1-CG2 4.08Å; L145-V169 HydrophobicContact CD2-CG1 4.35Å; L145-V169 HydrophobicContact CD2-CG2 4.04Å; L145-Y172 HydrophobicContact CB-CD1 4.42Å; L145-Y172 HydrophobicContact CB-CD2 4.03Å; L145-Y172 HydrophobicContact CB-CE2 4.23Å; L145-Y172 HydrophobicContact CB-CG 4.15Å; L145-Y172 HydrophobicContact CD1-CG 4.28Å | ||
| 146 | C | 92.8 | Very high | 91.2 | Very high | 51 Ų | 51 | 38.3 Ų | 38.3 | 35% | 0.345 | 22% | 0.223 | S | C | . | . | trans | -148.5 | 169.6 | 174.2 | 70.6 | 0 | 0 | 0 | 0 | 110.7 | N144 A148 N149 C150 Y172 | N144-C146 PolarHBondContact O-N 3.28Å; C146-A148 PolarHBondContact O-N 2.81Å; C146-A148 VanDerWaalsContact O-N 3.09Å; C146-N149 PolarHBondContact N-OD1 3.38Å; C146-N149 PolarHBondContact O-N 3.16Å; C146-N149 VanDerWaalsContact O-N 3.1Å; C146-N149 PolarHBondContact O-OD1 2.97Å; C146-N149 VanDerWaalsContact O-OD1 3.05Å; C146-N149 VanDerWaalsContact SG-CG 3.6Å; C146-C150 WeakPolarHBondContact O-CB 3.38Å; C146-C150 PolarHBondContact O-N 3Å; C146-Y172 VanDerWaalsContact CA-OH 3.3Å; C146-Y172 WeakPolarHBondContact CA-OH 3.33Å | ||
| 147 | I | 91.5 | Very high | 90.9 | Very high | 34 Ų | 34 | 35 Ų | 35 | 17% | 0.174 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -34 | 178.2 | -63.7 | 166.5 | 0 | 0 | 0 | 112.3 | A179 I180 E183 S184 | I147-A179 HydrophobicContact CD1-CB 3.64Å; I147-A179 HydrophobicContact CG1-CB 4.45Å; I147-I180 HydrophobicContact CG1-CG1 4.33Å; I147-I180 HydrophobicContact CG2-CG1 4.18Å; I147-E183 WeakPolarHBondContact CD1-OE2 3.39Å; I147-E183 HydrophobicContact CG2-CB 4.08Å; I147-S184 PolarHBondContact O-OG 3.07Å |
| 148 | A | 87.4 | Confident | 90.4 | Very high | 68 Ų | 68 | 35.2 Ų | 35.2 | 56% | 0.562 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -16.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | C146 | C146-A148 PolarHBondContact O-N 2.81Å; C146-A148 VanDerWaalsContact O-N 3.09Å |
| 149 | N | 89.2 | Confident | 89.6 | Confident | 41 Ų | 41 | 40.7 Ų | 40.7 | 22% | 0.219 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | -6.7 | -175 | 73 | 6.9 | 0 | 0 | 0 | 114.9 | N144 L145 C146 I151 S152 T153 | N144-N149 PolarHBondContact O-ND2 3.07Å; L145-N149 WeakPolarHBondContact CA-OD1 3.38Å; C146-N149 PolarHBondContact N-OD1 3.38Å; C146-N149 PolarHBondContact O-N 3.16Å; C146-N149 VanDerWaalsContact O-N 3.1Å; C146-N149 PolarHBondContact O-OD1 2.97Å; C146-N149 VanDerWaalsContact O-OD1 3.05Å; C146-N149 VanDerWaalsContact SG-CG 3.6Å; N149-I151 PolarHBondContact O-N 2.78Å; N149-S152 PolarHBondContact O-N 2.77Å; N149-T153 WeakPolarHBondContact O-CB 3.45Å; N149-T153 PolarHBondContact O-N 2.86Å; N149-T153 PolarHBondContact O-OG1 3.29Å |
| 150 | C | 93.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.1 | -42.7 | -175.9 | 59.3 | 0 | 0 | 0 | 0 | 112.5 | L145 C146 T153 R154 V169 Y172 I173 | L145-C150 HydrophobicContact CD2-CB 4.32Å; C146-C150 WeakPolarHBondContact O-CB 3.38Å; C146-C150 PolarHBondContact O-N 3Å; C150-T153 PolarHBondContact O-N 2.92Å; C150-R154 WeakPolarHBondContact O-CB 3.36Å; C150-R154 PolarHBondContact O-N 2.78Å; C150-V169 HydrophobicContact CB-CG1 4.46Å; C150-V169 VanDerWaalsContact O-CG1 3.22Å; C150-V169 WeakPolarHBondContact O-CG1 3.3Å; C150-Y172 HydrophobicContact CB-CD1 3.81Å; C150-Y172 HydrophobicContact CB-CE1 4.04Å; C150-I173 HydrophobicContact CB-CG1 4.07Å |
| 151 | I | 91.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.8 | -47.4 | 179.5 | -69.2 | 168.7 | 0 | 0 | 0 | 110.8 | N149 T153 R154 K155 I180 E186 F187 L190 M351 | N149-I151 PolarHBondContact O-N 2.78Å; I151-T153 VanDerWaalsContact C-N 3.33Å; I151-T153 PolarHBondContact O-N 2.75Å; I151-R154 PolarHBondContact O-N 3.4Å; I151-K155 HydrophobicContact CG2-CD 4.35Å; I151-K155 WeakPolarHBondContact O-CG 3.35Å; I151-K155 PolarHBondContact O-N 3.15Å; I151-I180 HydrophobicContact CD1-CG2 4.16Å; I151-E186 HydrophobicContact CB-CB 3.98Å; I151-E186 WeakPolarHBondContact CB-OE2 3.42Å; I151-E186 HydrophobicContact CD1-CB 4.06Å; I151-E186 HydrophobicContact CG2-CB 4.11Å; I151-F187 VanDerWaalsContact CD1-CA 3.46Å; I151-F187 HydrophobicContact CD1-CB 3.66Å; I151-F187 HydrophobicContact CD1-CD2 4.35Å; I151-F187 VanDerWaalsContact CD1-N 3.33Å; I151-L190 HydrophobicContact CD1-CD1 4.18Å; I151-L190 HydrophobicContact CG2-CD1 4.2Å; I151-L190 HydrophobicContact CG2-CD2 4.01Å; I151-L190 HydrophobicContact CG2-CG 4.35Å; I151-M351 HydrophobicContact CG1-CE 4.44Å; I151-M351 HydrophobicContact CG2-CE 4.3Å; I151-M351 HydrophobicContact CG2-SD 4.26Å |
| 152 | S | 88.7 | Confident | 87.8 | Confident | 39 Ų | 39 | 39.2 Ų | 39.2 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.9 | -43.7 | 173.6 | -81.8 | 0 | 0 | 0 | 0 | 112.6 | N149 R154 K155 C156 E186 | N149-S152 PolarHBondContact O-N 2.77Å; S152-R154 VanDerWaalsContact C-N 3.32Å; S152-R154 PolarHBondContact O-N 2.85Å; S152-K155 WeakPolarHBondContact O-CB 3.03Å; S152-K155 PolarHBondContact O-N 3.24Å; S152-C156 PolarHBondContact O-N 2.95Å; S152-C156 PolarHBondContact O-SG 3.14Å; S152-C156 VanDerWaalsContact O-SG 3.41Å; S152-E186 WeakPolarHBondContact CB-OE1 3.45Å; S152-E186 WeakPolarHBondContact CB-OE2 3.43Å; S152-E186 PolarHBondContact N-OE2 2.72Å; S152-E186 PolarHBondContact OG-OE1 2.71Å; S152-E186 PolarHBondContact OG-OE2 2.87Å |
| 153 | T | 90.5 | Very high | 87.5 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 177 | -53.1 | 0 | 0 | 0 | 0 | 111.1 | L141 L145 N149 C150 I151 C156 A157 L165 V169 | L141-T153 HydrophobicContact CB-CG2 3.89Å; L141-T153 HydrophobicContact CD1-CG2 4.32Å; L145-T153 HydrophobicContact CD2-CG2 4.14Å; N149-T153 WeakPolarHBondContact O-CB 3.45Å; N149-T153 PolarHBondContact O-N 2.86Å; N149-T153 PolarHBondContact O-OG1 3.29Å; C150-T153 PolarHBondContact O-N 2.92Å; I151-T153 VanDerWaalsContact C-N 3.33Å; I151-T153 PolarHBondContact O-N 2.75Å; T153-C156 WeakPolarHBondContact O-CB 3.49Å; T153-C156 PolarHBondContact O-N 3.5Å; T153-A157 PolarHBondContact O-N 2.78Å; T153-L165 HydrophobicContact CG2-CD1 3.97Å; T153-L165 HydrophobicContact CG2-CD2 4.29Å; T153-L165 HydrophobicContact CG2-CG 4.36Å; T153-V169 HydrophobicContact CG2-CG2 3.7Å |
| 154 | R | 91.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.6 | -39.4 | 175.6 | -171.3 | 61.3 | -172.5 | 84.5 | -6.3 | 112.6 | C150 I151 S152 C156 A157 N158 V169 D170 I173 E322 M351 | C150-R154 WeakPolarHBondContact O-CB 3.36Å; C150-R154 PolarHBondContact O-N 2.78Å; I151-R154 PolarHBondContact O-N 3.4Å; S152-R154 VanDerWaalsContact C-N 3.32Å; S152-R154 PolarHBondContact O-N 2.85Å; R154-C156 VanDerWaalsContact C-N 3.35Å; R154-A157 PolarHBondContact O-N 2.79Å; R154-N158 PolarHBondContact NH1-ND2 3.31Å; R154-N158 PolarHBondContact NH1-OD1 2.98Å; R154-N158 PolarHBondContact O-N 3.02Å; R154-N158 VanDerWaalsContact O-N 3.08Å; R154-N158 PolarHBondContact O-ND2 2.81Å; R154-V169 HydrophobicContact CB-CB 4.48Å; R154-V169 HydrophobicContact CB-CG1 3.69Å; R154-V169 HydrophobicContact CG-CG1 4.42Å; R154-D170 WeakPolarHBondContact CD-OD1 3.27Å; R154-D170 IonicContact CZ-OD1 2.97Å; R154-D170 IonicContact NE-OD1 3.73Å; R154-D170 PolarHBondContact NE-OD1 2.74Å; R154-D170 IonicContact NE-OD2 3.79Å; R154-D170 IonicContact NH2-OD2 3.27Å; R154-I173 HydrophobicContact CB-CD1 4.24Å; R154-I173 HydrophobicContact CG-CD1 4.42Å; R154-E322 IonicContact CZ-OE2 2.7Å; R154-E322 IonicContact NH1-OE2 2.76Å; R154-E322 IonicContact NH2-OE1 3.48Å; R154-E322 PolarHBondContact NH2-OE1 2.92Å; R154-E322 IonicContact NH2-OE2 2.87Å; R154-E322 PolarHBondContact NH2-OE2 3.08Å; R154-M351 HydrophobicContact CB-CE 4.07Å; R154-M351 HydrophobicContact CB-SD 3.74Å; R154-M351 HydrophobicContact CG-CE 3.84Å; R154-M351 HydrophobicContact CG-SD 3.63Å |
| 155 | K | 88 | Confident | 87.2 | Confident | 78 Ų | 78 | 41 Ų | 41 | 34% | 0.339 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.5 | -39.6 | 173.6 | -73.2 | 176.4 | -178.5 | 173.4 | 0 | 111.8 | I151 S152 N158 R159 M351 | I151-K155 HydrophobicContact CG2-CD 4.35Å; I151-K155 WeakPolarHBondContact O-CG 3.35Å; I151-K155 PolarHBondContact O-N 3.15Å; S152-K155 WeakPolarHBondContact O-CB 3.03Å; S152-K155 PolarHBondContact O-N 3.24Å; K155-N158 WeakPolarHBondContact O-CB 3.35Å; K155-N158 PolarHBondContact O-N 3.08Å; K155-R159 PolarHBondContact O-N 3.01Å; K155-M351 HydrophobicContact CG-CG 4.46Å; K155-M351 HydrophobicContact CG-SD 3.77Å |
| 156 | C | 83.6 | Confident | 87 | Confident | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.034 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.2 | -48.5 | 173.3 | -73 | 0 | 0 | 0 | 0 | 111.3 | S119 Y122 D123 S152 T153 R154 N158 R159 | S119-C156 PolarHBondContact OG-SG 3.19Å; Y122-C156 HydrophobicContact CD1-CB 3.85Å; Y122-C156 HydrophobicContact CE1-CB 3.86Å; D123-C156 PolarHBondContact OD1-SG 3.39Å; S152-C156 PolarHBondContact O-N 2.95Å; S152-C156 PolarHBondContact O-SG 3.14Å; S152-C156 VanDerWaalsContact O-SG 3.41Å; T153-C156 WeakPolarHBondContact O-CB 3.49Å; T153-C156 PolarHBondContact O-N 3.5Å; R154-C156 VanDerWaalsContact C-N 3.35Å; C156-N158 VanDerWaalsContact C-N 3.3Å; C156-N158 PolarHBondContact O-N 2.83Å; C156-R159 PolarHBondContact O-N 3.46Å; C156-R159 VanDerWaalsContact O-N 3.15Å |
| 157 | A | 86.9 | Confident | 87 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.4 | -39.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T153 R154 R159 F160 N161 D162 L165 A166 | T153-A157 PolarHBondContact O-N 2.78Å; R154-A157 PolarHBondContact O-N 2.79Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 3.22Å; A157-F160 PolarHBondContact O-N 2.76Å; A157-N161 PolarHBondContact O-N 3.04Å; A157-D162 HydrophobicContact CB-CB 4.41Å; A157-D162 PolarHBondContact O-N 2.94Å; A157-L165 HydrophobicContact CB-CB 4.21Å; A157-L165 HydrophobicContact CB-CD2 4Å; A157-L165 HydrophobicContact CB-CG 3.99Å; A157-A166 HydrophobicContact CB-CB 4.03Å |
| 158 | N | 82.5 | Confident | 87 | Confident | 7 Ų | 7 | 43 Ų | 43 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.2 | -39.5 | 176 | -84.4 | -31 | 0 | 0 | 0 | 113.8 | R154 K155 C156 F160 E322 L346 R349 | R154-N158 PolarHBondContact NH1-ND2 3.31Å; R154-N158 PolarHBondContact NH1-OD1 2.98Å; R154-N158 PolarHBondContact O-N 3.02Å; R154-N158 VanDerWaalsContact O-N 3.08Å; R154-N158 PolarHBondContact O-ND2 2.81Å; K155-N158 WeakPolarHBondContact O-CB 3.35Å; K155-N158 PolarHBondContact O-N 3.08Å; C156-N158 VanDerWaalsContact C-N 3.3Å; C156-N158 PolarHBondContact O-N 2.83Å; N158-F160 PolarHBondContact O-N 3.03Å; N158-E322 PolarHBondContact OD1-OE2 3.1Å; N158-L346 WeakPolarHBondContact ND2-CD2 3.21Å; N158-R349 PolarHBondContact ND2-O 3.26Å |
| 159 | R | 75 | Confident | 87.3 | Confident | 127 Ų | 127 | 39.7 Ų | 39.7 | 48% | 0.479 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.6 | -31.8 | -174.2 | -170.2 | -179.6 | -65.3 | 157.1 | 6.1 | 111.7 | D123 K155 C156 A157 | D123-R159 IonicContact OD1-NH1 3.87Å; D123-R159 IonicContact OD2-CZ 4Å; D123-R159 IonicContact OD2-NH1 3.13Å; D123-R159 PolarHBondContact OD2-NH1 2.76Å; K155-R159 PolarHBondContact O-N 3.01Å; C156-R159 PolarHBondContact O-N 3.46Å; C156-R159 VanDerWaalsContact O-N 3.15Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 3.22Å |
| 160 | F | 76 | Confident | 87.5 | Confident | 50 Ų | 50 | 37.9 Ų | 37.9 | 22% | 0.219 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -116.5 | 8.9 | -174.5 | -57.7 | -73.7 | 0 | 0 | 0 | 114.1 | L75 Y122 D123 C126 L127 A157 N158 D162 | L75-F160 HydrophobicContact CD2-CE1 4.27Å; Y122-F160 HydrophobicContact CE1-CD2 4.3Å; D123-F160 HydrophobicContact CB-CE2 4.16Å; D123-F160 HydrophobicContact CB-CZ 4.46Å; D123-F160 WeakPolarHBondContact O-CZ 3.42Å; C126-F160 HydrophobicContact CB-CB 3.86Å; C126-F160 HydrophobicContact CB-CD1 3.29Å; C126-F160 HydrophobicContact CB-CD2 3.42Å; C126-F160 VanDerWaalsContact CB-CD2 3.42Å; C126-F160 HydrophobicContact CB-CE1 3.53Å; C126-F160 HydrophobicContact CB-CE2 3.69Å; C126-F160 HydrophobicContact CB-CG 3.21Å; C126-F160 HydrophobicContact CB-CZ 3.72Å; L127-F160 HydrophobicContact CB-CE1 4.27Å; L127-F160 HydrophobicContact CB-CZ 4.35Å; A157-F160 PolarHBondContact O-N 2.76Å; N158-F160 PolarHBondContact O-N 3.03Å; F160-D162 VanDerWaalsContact C-N 3.26Å; F160-D162 PolarHBondContact O-N 3.23Å |
| 161 | N | 78.5 | Confident | 87.5 | Confident | 65 Ų | 65 | 42.5 Ų | 42.5 | 35% | 0.348 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 36.4 | 179.9 | -153.1 | 25.4 | 0 | 0 | 0 | 113.4 | A157 T163 | A157-N161 PolarHBondContact O-N 3.04Å; N161-T163 PolarHBondContact O-N 3.47Å |
| 162 | D | 85.5 | Confident | 87.7 | Confident | 43 Ų | 43 | 44.8 Ų | 44.8 | 23% | 0.23 | 23% | 0.23 | C | C | . | . | trans | -78.9 | 86.3 | 177 | -171.7 | -21.5 | 0 | 0 | 0 | 109.8 | Y122 A157 F160 L164 L165 A166 | Y122-D162 WeakPolarHBondContact OH-CB 3.37Å; Y122-D162 PolarHBondContact OH-OD2 2.93Å; A157-D162 HydrophobicContact CB-CB 4.41Å; A157-D162 PolarHBondContact O-N 2.94Å; F160-D162 VanDerWaalsContact C-N 3.26Å; F160-D162 PolarHBondContact O-N 3.23Å; D162-L164 VanDerWaalsContact C-N 3.27Å; D162-L164 PolarHBondContact O-N 3.17Å; D162-L164 PolarHBondContact OD1-N 3.24Å; D162-L165 HydrophobicContact CB-CB 4.16Å; D162-L165 VanDerWaalsContact CG-CB 3.45Å; D162-L165 PolarHBondContact O-N 3.42Å; D162-L165 WeakPolarHBondContact OD1-CB 3.5Å; D162-L165 PolarHBondContact OD1-N 3.11Å; D162-A166 WeakPolarHBondContact O-CB 3.47Å; D162-A166 PolarHBondContact O-N 3.04Å | ||
| 163 | T | 86.4 | Confident | 88 | Confident | 102 Ų | 102 | 42.9 Ų | 42.9 | 63% | 0.626 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -64.5 | -30.2 | -175.1 | 54.4 | 0 | 0 | 0 | 0 | 113 | N161 S167 | N161-T163 PolarHBondContact O-N 3.47Å; T163-S167 WeakPolarHBondContact O-CB 3.24Å; T163-S167 PolarHBondContact O-N 3.33Å; T163-S167 PolarHBondContact O-OG 3.35Å |
| 164 | L | 88 | Confident | 88 | Confident | 120 Ų | 120 | 46.8 Ų | 46.8 | 63% | 0.628 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -72.6 | -50.7 | 179.4 | -174.7 | 132.3 | 0 | 0 | 0 | 110.7 | D162 A166 S167 L168 | D162-L164 VanDerWaalsContact C-N 3.27Å; D162-L164 PolarHBondContact O-N 3.17Å; D162-L164 PolarHBondContact OD1-N 3.24Å; L164-A166 VanDerWaalsContact C-N 3.32Å; L164-A166 PolarHBondContact O-N 3.27Å; L164-S167 PolarHBondContact O-N 2.88Å; L164-S167 PolarHBondContact O-OG 2.89Å; L164-L168 HydrophobicContact CD2-CD1 4.08Å; L164-L168 WeakPolarHBondContact O-CG 3.28Å; L164-L168 PolarHBondContact O-N 3.02Å |
| 165 | L | 90.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 173.5 | 179 | 59.6 | 0 | 0 | 0 | 110.7 | Y122 A138 C142 T153 A157 D162 S167 L168 V169 | Y122-L165 HydrophobicContact CE1-CD2 4.06Å; Y122-L165 HydrophobicContact CE2-CD2 4.15Å; Y122-L165 WeakPolarHBondContact OH-CD2 3.26Å; A138-L165 HydrophobicContact CB-CD2 4.28Å; C142-L165 WeakPolarHBondContact SG-CD1 3.48Å; T153-L165 HydrophobicContact CG2-CD1 3.97Å; T153-L165 HydrophobicContact CG2-CD2 4.29Å; T153-L165 HydrophobicContact CG2-CG 4.36Å; A157-L165 HydrophobicContact CB-CB 4.21Å; A157-L165 HydrophobicContact CB-CD2 4Å; A157-L165 HydrophobicContact CB-CG 3.99Å; D162-L165 HydrophobicContact CB-CB 4.16Å; D162-L165 VanDerWaalsContact CG-CB 3.45Å; D162-L165 PolarHBondContact O-N 3.42Å; D162-L165 WeakPolarHBondContact OD1-CB 3.5Å; D162-L165 PolarHBondContact OD1-N 3.11Å; L165-S167 VanDerWaalsContact C-N 3.34Å; L165-S167 PolarHBondContact O-N 2.98Å; L165-L168 PolarHBondContact O-N 2.9Å; L165-V169 HydrophobicContact CD1-CG2 3.94Å; L165-V169 HydrophobicContact CG-CG2 4.27Å; L165-V169 WeakPolarHBondContact O-CG2 3.33Å; L165-V169 PolarHBondContact O-N 3.24Å |
| 166 | A | 90.8 | Very high | 88.3 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 3% | 0.033 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -54.8 | -47.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A157 D162 L164 L168 V169 D170 | A157-A166 HydrophobicContact CB-CB 4.03Å; D162-A166 WeakPolarHBondContact O-CB 3.47Å; D162-A166 PolarHBondContact O-N 3.04Å; L164-A166 VanDerWaalsContact C-N 3.32Å; L164-A166 PolarHBondContact O-N 3.27Å; A166-L168 PolarHBondContact O-N 2.78Å; A166-V169 PolarHBondContact O-N 2.78Å; A166-D170 WeakPolarHBondContact O-CB 3.29Å; A166-D170 PolarHBondContact O-N 2.82Å |
| 167 | S | 90.9 | Very high | 88.6 | Confident | 65 Ų | 65 | 51.7 Ų | 51.7 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | -179.6 | 72.1 | 0 | 0 | 0 | 0 | 113.6 | T163 L164 L165 Q171 | T163-S167 WeakPolarHBondContact O-CB 3.24Å; T163-S167 PolarHBondContact O-N 3.33Å; T163-S167 PolarHBondContact O-OG 3.35Å; L164-S167 PolarHBondContact O-N 2.88Å; L164-S167 PolarHBondContact O-OG 2.89Å; L165-S167 VanDerWaalsContact C-N 3.34Å; L165-S167 PolarHBondContact O-N 2.98Å; S167-Q171 PolarHBondContact O-N 2.96Å |
| 168 | L | 92.6 | Very high | 88.5 | Confident | 84 Ų | 84 | 57.3 Ų | 57.3 | 44% | 0.44 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.8 | -40.2 | 178.8 | -69.2 | 170.3 | 0 | 0 | 0 | 111.4 | C142 L164 L165 A166 Y172 | C142-L168 VanDerWaalsContact SG-CD1 3.56Å; L164-L168 HydrophobicContact CD2-CD1 4.08Å; L164-L168 WeakPolarHBondContact O-CG 3.28Å; L164-L168 PolarHBondContact O-N 3.02Å; L165-L168 PolarHBondContact O-N 2.9Å; A166-L168 PolarHBondContact O-N 2.78Å; L168-Y172 PolarHBondContact O-N 3.25Å; L168-Y172 VanDerWaalsContact O-N 3.1Å |
| 169 | V | 94.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.2 | -39.8 | 176.9 | -177 | 0 | 0 | 0 | 0 | 110.9 | L145 C150 T153 R154 L165 A166 Q171 Y172 I173 | L145-V169 HydrophobicContact CD1-CG2 4.08Å; L145-V169 HydrophobicContact CD2-CG1 4.35Å; L145-V169 HydrophobicContact CD2-CG2 4.04Å; C150-V169 HydrophobicContact CB-CG1 4.46Å; C150-V169 VanDerWaalsContact O-CG1 3.22Å; C150-V169 WeakPolarHBondContact O-CG1 3.3Å; T153-V169 HydrophobicContact CG2-CG2 3.7Å; R154-V169 HydrophobicContact CB-CB 4.48Å; R154-V169 HydrophobicContact CB-CG1 3.69Å; R154-V169 HydrophobicContact CG-CG1 4.42Å; L165-V169 HydrophobicContact CD1-CG2 3.94Å; L165-V169 HydrophobicContact CG-CG2 4.27Å; L165-V169 WeakPolarHBondContact O-CG2 3.33Å; L165-V169 PolarHBondContact O-N 3.24Å; A166-V169 PolarHBondContact O-N 2.78Å; V169-Q171 VanDerWaalsContact C-N 3.33Å; V169-Q171 PolarHBondContact O-N 3.14Å; V169-Y172 PolarHBondContact O-N 3.47Å; V169-I173 HydrophobicContact CG1-CD1 3.87Å; V169-I173 HydrophobicContact CG1-CG1 4.28Å; V169-I173 WeakPolarHBondContact O-CB 3.34Å; V169-I173 VanDerWaalsContact O-CG1 3.3Å; V169-I173 WeakPolarHBondContact O-CG1 3.17Å; V169-I173 PolarHBondContact O-N 3.45Å |
| 170 | D | 93.5 | Very high | 89.3 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.1 | -45 | 174.9 | -76.1 | -10.7 | 0 | 0 | 0 | 111 | R154 A166 Y172 I173 Q174 K324 V326 | R154-D170 WeakPolarHBondContact CD-OD1 3.27Å; R154-D170 IonicContact CZ-OD1 2.97Å; R154-D170 IonicContact NE-OD1 3.73Å; R154-D170 PolarHBondContact NE-OD1 2.74Å; R154-D170 IonicContact NE-OD2 3.79Å; R154-D170 IonicContact NH2-OD2 3.27Å; A166-D170 WeakPolarHBondContact O-CB 3.29Å; A166-D170 PolarHBondContact O-N 2.82Å; D170-Y172 PolarHBondContact O-N 2.83Å; D170-I173 PolarHBondContact O-N 2.98Å; D170-Q174 VanDerWaalsContact O-CG 3.3Å; D170-Q174 WeakPolarHBondContact O-CG 3.43Å; D170-Q174 PolarHBondContact O-N 3.39Å; D170-K324 IonicContact OD2-NZ 3.29Å; D170-K324 PolarHBondContact OD2-NZ 2.97Å; D170-V326 HydrophobicContact CB-CG1 4.35Å; D170-V326 WeakPolarHBondContact OD1-CG1 3.34Å |
| 171 | Q | 93.1 | Very high | 89.6 | Confident | 97 Ų | 97 | 50.5 Ų | 50.5 | 45% | 0.453 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 175.2 | -174.4 | 63.1 | 55.4 | 0 | 0 | 111.3 | S167 V169 I173 Q174 D175 | S167-Q171 PolarHBondContact O-N 2.96Å; V169-Q171 VanDerWaalsContact C-N 3.33Å; V169-Q171 PolarHBondContact O-N 3.14Å; Q171-I173 VanDerWaalsContact C-N 3.34Å; Q171-I173 PolarHBondContact O-N 2.99Å; Q171-Q174 PolarHBondContact O-N 3.1Å; Q171-D175 PolarHBondContact NE2-OD1 3.49Å; Q171-D175 PolarHBondContact NE2-OD2 2.92Å; Q171-D175 VanDerWaalsContact O-CG 3.22Å; Q171-D175 PolarHBondContact O-N 2.73Å |
| 172 | Y | 95.2 | Very high | 89.3 | Confident | 47 Ų | 47 | 49.9 Ų | 49.9 | 18% | 0.184 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60 | -43.9 | 176.8 | -176.5 | -87.3 | 0 | 0 | 0 | 112.2 | L145 C146 C150 L168 V169 D170 D175 H176 | L145-Y172 HydrophobicContact CB-CD1 4.42Å; L145-Y172 HydrophobicContact CB-CD2 4.03Å; L145-Y172 HydrophobicContact CB-CE2 4.23Å; L145-Y172 HydrophobicContact CB-CG 4.15Å; L145-Y172 HydrophobicContact CD1-CG 4.28Å; C146-Y172 VanDerWaalsContact CA-OH 3.3Å; C146-Y172 WeakPolarHBondContact CA-OH 3.33Å; C150-Y172 HydrophobicContact CB-CD1 3.81Å; C150-Y172 HydrophobicContact CB-CE1 4.04Å; L168-Y172 PolarHBondContact O-N 3.25Å; L168-Y172 VanDerWaalsContact O-N 3.1Å; V169-Y172 PolarHBondContact O-N 3.47Å; D170-Y172 PolarHBondContact O-N 2.83Å; Y172-D175 PolarHBondContact O-N 3.4Å; Y172-H176 AromaticContact CD2-CE1 3.78Å; Y172-H176 AromaticContact CD2-ND1 3.76Å; Y172-H176 HydrophobicContact CE1-CB 4.43Å; Y172-H176 AromaticContact CE2-CE1 3.47Å; Y172-H176 VanDerWaalsContact CE2-CE1 3.47Å; Y172-H176 WeakPolarHBondContact CE2-CE1 3.37Å; Y172-H176 AromaticContact CE2-ND1 3.61Å; Y172-H176 AromaticContact CZ-CE1 3.94Å; Y172-H176 AromaticContact CZ-CG 3.99Å; Y172-H176 AromaticContact CZ-ND1 3.73Å; Y172-H176 PolarHBondContact O-N 3.22Å; Y172-H176 VanDerWaalsContact O-N 3.15Å; Y172-H176 PolarHBondContact O-ND1 2.95Å |
| 173 | I | 94.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 178.2 | -72 | 170.3 | 0 | 0 | 0 | 110.6 | C150 R154 V169 D170 Q171 H176 F177 I180 V326 T327 I344 M351 | C150-I173 HydrophobicContact CB-CG1 4.07Å; R154-I173 HydrophobicContact CB-CD1 4.24Å; R154-I173 HydrophobicContact CG-CD1 4.42Å; V169-I173 HydrophobicContact CG1-CD1 3.87Å; V169-I173 HydrophobicContact CG1-CG1 4.28Å; V169-I173 WeakPolarHBondContact O-CB 3.34Å; V169-I173 VanDerWaalsContact O-CG1 3.3Å; V169-I173 WeakPolarHBondContact O-CG1 3.17Å; V169-I173 PolarHBondContact O-N 3.45Å; D170-I173 PolarHBondContact O-N 2.98Å; Q171-I173 VanDerWaalsContact C-N 3.34Å; Q171-I173 PolarHBondContact O-N 2.99Å; I173-H176 PolarHBondContact O-N 3.13Å; I173-F177 VanDerWaalsContact O-CA 3.23Å; I173-F177 WeakPolarHBondContact O-CA 3.03Å; I173-F177 VanDerWaalsContact O-CB 3.27Å; I173-F177 WeakPolarHBondContact O-CB 3.49Å; I173-F177 PolarHBondContact O-N 3.32Å; I173-I180 HydrophobicContact CB-CD1 4.15Å; I173-I180 HydrophobicContact CG1-CD1 4.08Å; I173-I180 HydrophobicContact CG2-CD1 4.16Å; I173-V326 HydrophobicContact CB-CG1 4.25Å; I173-V326 HydrophobicContact CD1-CG1 4.27Å; I173-V326 HydrophobicContact CG2-CG1 3.84Å; I173-T327 HydrophobicContact CG2-CG2 3.73Å; I173-I344 HydrophobicContact CG2-CD1 3.94Å; I173-M351 HydrophobicContact CD1-CE 4.38Å |
| 174 | Q | 91.8 | Very high | 89.1 | Confident | 84 Ų | 84 | 48.1 Ų | 48.1 | 39% | 0.393 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.1 | -48.7 | 176.7 | -74.2 | 172.8 | 6.2 | 0 | 0 | 111.6 | D170 Q171 H176 F177 V326 | D170-Q174 VanDerWaalsContact O-CG 3.3Å; D170-Q174 WeakPolarHBondContact O-CG 3.43Å; D170-Q174 PolarHBondContact O-N 3.39Å; Q171-Q174 PolarHBondContact O-N 3.1Å; Q174-H176 PolarHBondContact O-N 3.23Å; Q174-F177 PolarHBondContact O-N 3.19Å; Q174-V326 VanDerWaalsContact CG-O 3.3Å; Q174-V326 WeakPolarHBondContact CG-O 3.38Å; Q174-V326 PolarHBondContact NE2-O 3.04Å |
| 175 | D | 92.1 | Very high | 88.9 | Confident | 107 Ų | 107 | 48.5 Ų | 48.5 | 57% | 0.572 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -67.1 | -24.1 | -176 | -66 | -21.5 | 0 | 0 | 0 | 113.3 | Q171 Y172 | Q171-D175 PolarHBondContact NE2-OD1 3.49Å; Q171-D175 PolarHBondContact NE2-OD2 2.92Å; Q171-D175 VanDerWaalsContact O-CG 3.22Å; Q171-D175 PolarHBondContact O-N 2.73Å; Y172-D175 PolarHBondContact O-N 3.4Å |
| 176 | H | 92 | Very high | 88.7 | Confident | 74 Ų | 74 | 50.4 Ų | 50.4 | 34% | 0.343 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | 18 | -176.1 | -57.7 | 82 | 0 | 0 | 0 | 113 | Y172 I173 Q174 E178 A179 I180 | Y172-H176 AromaticContact CD2-CE1 3.78Å; Y172-H176 AromaticContact CD2-ND1 3.76Å; Y172-H176 HydrophobicContact CE1-CB 4.43Å; Y172-H176 AromaticContact CE2-CE1 3.47Å; Y172-H176 VanDerWaalsContact CE2-CE1 3.47Å; Y172-H176 WeakPolarHBondContact CE2-CE1 3.37Å; Y172-H176 AromaticContact CE2-ND1 3.61Å; Y172-H176 AromaticContact CZ-CE1 3.94Å; Y172-H176 AromaticContact CZ-CG 3.99Å; Y172-H176 AromaticContact CZ-ND1 3.73Å; Y172-H176 PolarHBondContact O-N 3.22Å; Y172-H176 VanDerWaalsContact O-N 3.15Å; Y172-H176 PolarHBondContact O-ND1 2.95Å; I173-H176 PolarHBondContact O-N 3.13Å; Q174-H176 PolarHBondContact O-N 3.23Å; H176-E178 VanDerWaalsContact C-N 3.31Å; H176-E178 PolarHBondContact O-N 3.44Å; H176-A179 PolarHBondContact O-N 2.98Å; H176-A179 VanDerWaalsContact O-N 3.1Å; H176-I180 HydrophobicContact CB-CD1 4.18Å; H176-I180 HydrophobicContact CB-CG1 4.38Å; H176-I180 WeakPolarHBondContact O-CG1 3.06Å; H176-I180 PolarHBondContact O-N 3.08Å |
| 177 | F | 91 | Very high | 88.5 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 2% | 0.022 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.3 | -38.8 | -166.6 | -171.6 | -140.5 | 0 | 0 | 0 | 113.4 | I173 Q174 A179 I180 I181 F187 T327 L329 T342 I344 | I173-F177 VanDerWaalsContact O-CA 3.23Å; I173-F177 WeakPolarHBondContact O-CA 3.03Å; I173-F177 VanDerWaalsContact O-CB 3.27Å; I173-F177 WeakPolarHBondContact O-CB 3.49Å; I173-F177 PolarHBondContact O-N 3.32Å; Q174-F177 PolarHBondContact O-N 3.19Å; F177-A179 VanDerWaalsContact C-N 3.35Å; F177-A179 PolarHBondContact O-N 3.39Å; F177-I180 HydrophobicContact CD2-CB 4.49Å; F177-I180 PolarHBondContact O-N 3.12Å; F177-I181 HydrophobicContact CD1-CD1 4.14Å; F177-I181 HydrophobicContact CD2-CD1 4.39Å; F177-I181 HydrophobicContact CD2-CG1 4.2Å; F177-I181 HydrophobicContact CE1-CD1 3.73Å; F177-I181 HydrophobicContact CE1-CG1 4.45Å; F177-I181 HydrophobicContact CE2-CD1 4Å; F177-I181 HydrophobicContact CE2-CG1 3.81Å; F177-I181 HydrophobicContact CG-CD1 4.44Å; F177-I181 HydrophobicContact CZ-CD1 3.65Å; F177-I181 HydrophobicContact CZ-CG1 3.95Å; F177-I181 WeakPolarHBondContact O-CG1 3.37Å; F177-I181 PolarHBondContact O-N 3.38Å; F177-F187 HydrophobicContact CE2-CD2 4.41Å; F177-F187 AromaticContact CE2-CE2 3.74Å; F177-F187 HydrophobicContact CE2-CE2 3.74Å; F177-F187 HydrophobicContact CE2-CZ 4.4Å; F177-F187 HydrophobicContact CZ-CE2 4.16Å; F177-T327 HydrophobicContact CB-CG2 4.12Å; F177-T327 HydrophobicContact CD1-CG2 3.58Å; F177-T327 HydrophobicContact CD2-CG2 3.4Å; F177-T327 HydrophobicContact CE1-CG2 3.76Å; F177-T327 HydrophobicContact CE2-CG2 3.6Å; F177-T327 HydrophobicContact CG-CG2 3.41Å; F177-T327 VanDerWaalsContact CG-CG2 3.41Å; F177-T327 HydrophobicContact CZ-CG2 3.77Å; F177-L329 HydrophobicContact CD1-CB 3.69Å; F177-L329 HydrophobicContact CE1-CB 3.63Å; F177-T342 WeakPolarHBondContact CE1-O 3.18Å; F177-I344 HydrophobicContact CD2-CD1 4.23Å; F177-I344 HydrophobicContact CE2-CD1 3.67Å; F177-I344 HydrophobicContact CE2-CG1 3.73Å; F177-I344 HydrophobicContact CZ-CG1 4.17Å |
| 178 | E | 85.3 | Confident | 88 | Confident | 119 Ų | 119 | 51.4 Ų | 51.4 | 56% | 0.556 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -60.5 | -43 | 176.9 | -172.3 | 174.9 | -176.2 | 0 | 0 | 112.2 | H176 Q182 | H176-E178 VanDerWaalsContact C-N 3.31Å; H176-E178 PolarHBondContact O-N 3.44Å; E178-Q182 WeakPolarHBondContact O-CB 3.43Å; E178-Q182 WeakPolarHBondContact O-CG 3.21Å; E178-Q182 PolarHBondContact O-N 2.69Å |
| 179 | A | 86.2 | Confident | 87.6 | Confident | 26 Ų | 26 | 50.8 Ų | 50.8 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.9 | -33.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I147 H176 F177 Q182 E183 | I147-A179 HydrophobicContact CD1-CB 3.64Å; I147-A179 HydrophobicContact CG1-CB 4.45Å; H176-A179 PolarHBondContact O-N 2.98Å; H176-A179 VanDerWaalsContact O-N 3.1Å; F177-A179 VanDerWaalsContact C-N 3.35Å; F177-A179 PolarHBondContact O-N 3.39Å; A179-Q182 PolarHBondContact O-N 2.71Å; A179-E183 WeakPolarHBondContact O-CB 3.46Å; A179-E183 PolarHBondContact O-N 2.86Å |
| 180 | I | 87.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 175.6 | -71.3 | 165.8 | 0 | 0 | 0 | 111.5 | I147 I151 I173 H176 F177 S184 F187 | I147-I180 HydrophobicContact CG1-CG1 4.33Å; I147-I180 HydrophobicContact CG2-CG1 4.18Å; I151-I180 HydrophobicContact CD1-CG2 4.16Å; I173-I180 HydrophobicContact CB-CD1 4.15Å; I173-I180 HydrophobicContact CG1-CD1 4.08Å; I173-I180 HydrophobicContact CG2-CD1 4.16Å; H176-I180 HydrophobicContact CB-CD1 4.18Å; H176-I180 HydrophobicContact CB-CG1 4.38Å; H176-I180 WeakPolarHBondContact O-CG1 3.06Å; H176-I180 PolarHBondContact O-N 3.08Å; F177-I180 HydrophobicContact CD2-CB 4.49Å; F177-I180 PolarHBondContact O-N 3.12Å; I180-S184 WeakPolarHBondContact O-CB 3.48Å; I180-S184 PolarHBondContact O-N 2.9Å; I180-S184 VanDerWaalsContact O-N 3.17Å; I180-F187 HydrophobicContact CG2-CB 4.21Å; I180-F187 HydrophobicContact CG2-CD2 4.19Å; I180-F187 HydrophobicContact CG2-CG 4.43Å |
| 181 | I | 81.3 | Confident | 86.8 | Confident | 15 Ų | 15 | 53.3 Ų | 53.3 | 8% | 0.077 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.2 | -73.2 | 164.8 | -68.7 | 170.6 | 0 | 0 | 0 | 104.4 | F177 E183 F187 L329 M643 | F177-I181 HydrophobicContact CD1-CD1 4.14Å; F177-I181 HydrophobicContact CD2-CD1 4.39Å; F177-I181 HydrophobicContact CD2-CG1 4.2Å; F177-I181 HydrophobicContact CE1-CD1 3.73Å; F177-I181 HydrophobicContact CE1-CG1 4.45Å; F177-I181 HydrophobicContact CE2-CD1 4Å; F177-I181 HydrophobicContact CE2-CG1 3.81Å; F177-I181 HydrophobicContact CG-CD1 4.44Å; F177-I181 HydrophobicContact CZ-CD1 3.65Å; F177-I181 HydrophobicContact CZ-CG1 3.95Å; F177-I181 WeakPolarHBondContact O-CG1 3.37Å; F177-I181 PolarHBondContact O-N 3.38Å; I181-E183 VanDerWaalsContact C-N 3.3Å; I181-E183 PolarHBondContact O-N 3.38Å; I181-F187 HydrophobicContact CB-CE1 4.48Å; I181-F187 HydrophobicContact CG1-CE1 3.98Å; I181-F187 HydrophobicContact CG1-CE2 4.2Å; I181-F187 HydrophobicContact CG1-CZ 3.76Å; I181-F187 HydrophobicContact CG2-CE1 4.49Å; I181-L329 HydrophobicContact CD1-CB 4.16Å; I181-L329 HydrophobicContact CD1-CD2 3.71Å; I181-M643 HydrophobicContact CG2-CB 3.83Å; I181-M643 WeakPolarHBondContact CG2-OXT 3.22Å; I181-M643 WeakPolarHBondContact O-CB 3.48Å; I181-M643 WeakPolarHBondContact O-CE 3.39Å; I181-M643 WeakPolarHBondContact O-CG 3.1Å |
| 182 | Q | 74.2 | Confident | 86.5 | Confident | 53 Ų | 53 | 50.6 Ų | 50.6 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -53 | -26.3 | -169.4 | -74.5 | 172.8 | 15.4 | 0 | 0 | 119.2 | E178 A179 H641 M642 M643 | E178-Q182 WeakPolarHBondContact O-CB 3.43Å; E178-Q182 WeakPolarHBondContact O-CG 3.21Å; E178-Q182 PolarHBondContact O-N 2.69Å; A179-Q182 PolarHBondContact O-N 2.71Å; Q182-H641 HydrophobicContact CB-CB 3.98Å; Q182-H641 HydrophobicContact CG-CB 3.88Å; Q182-M642 CarbonylContact O-C 3.56Å; Q182-M643 WeakPolarHBondContact CA-O 3.36Å; Q182-M643 WeakPolarHBondContact CG-O 3.43Å; Q182-M643 PolarHBondContact O-N 3.29Å |
| 183 | E | 81.9 | Confident | 86.1 | Confident | 107 Ų | 107 | 48.4 Ų | 48.4 | 50% | 0.5 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -129.5 | -18.2 | -166.5 | -56.4 | -179.9 | -171.6 | 0 | 0 | 115.1 | I147 A179 I181 H185 H641 M643 | I147-E183 WeakPolarHBondContact CD1-OE2 3.39Å; I147-E183 HydrophobicContact CG2-CB 4.08Å; A179-E183 WeakPolarHBondContact O-CB 3.46Å; A179-E183 PolarHBondContact O-N 2.86Å; I181-E183 VanDerWaalsContact C-N 3.3Å; I181-E183 PolarHBondContact O-N 3.38Å; E183-H185 PolarHBondContact O-N 3.01Å; E183-H641 IonicContact OE1-CE1 2.87Å; E183-H641 PolarHBondContact OE1-CE1 2.93Å; E183-H641 IonicContact OE1-ND1 3.5Å; E183-M643 VanDerWaalsContact C-CE 3.5Å |
| 184 | S | 83.9 | Confident | 85.6 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.007 | 26% | 0.261 | C | S | . | . | trans | -85.7 | 109.4 | -171.6 | -165.9 | 0 | 0 | 0 | 0 | 114 | I147 I180 E186 F187 S188 M643 | I147-S184 PolarHBondContact O-OG 3.07Å; I180-S184 WeakPolarHBondContact O-CB 3.48Å; I180-S184 PolarHBondContact O-N 2.9Å; I180-S184 VanDerWaalsContact O-N 3.17Å; S184-E186 PolarHBondContact O-N 3.27Å; S184-F187 WeakPolarHBondContact O-CB 3.44Å; S184-F187 PolarHBondContact O-N 3Å; S184-F187 VanDerWaalsContact O-N 3.1Å; S184-S188 PolarHBondContact O-N 2.8Å; S184-M643 VanDerWaalsContact N-CE 3.32Å; S184-M643 VanDerWaalsContact O-CE 3.25Å; S184-M643 WeakPolarHBondContact O-CE 3.24Å; S184-M643 VanDerWaalsContact O-SD 3.39Å | ||
| 185 | H | 84 | Confident | 85.3 | Confident | 127 Ų | 127 | 45.8 Ų | 45.8 | 59% | 0.588 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -57.5 | -33.3 | 171.6 | 179.1 | -84.3 | 0 | 0 | 0 | 112.4 | E183 F187 S188 S189 | E183-H185 PolarHBondContact O-N 3.01Å; H185-F187 VanDerWaalsContact C-N 3.33Å; H185-F187 PolarHBondContact O-N 2.9Å; H185-S188 PolarHBondContact O-N 3.37Å; H185-S189 PolarHBondContact O-N 3.37Å |
| 186 | E | 85.5 | Confident | 85 | Confident | 41 Ų | 41 | 44.4 Ų | 44.4 | 19% | 0.192 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66 | -35.7 | 178.1 | -64 | -168.9 | 167 | 0 | 0 | 112.1 | I151 S152 S184 S189 L190 | I151-E186 HydrophobicContact CB-CB 3.98Å; I151-E186 WeakPolarHBondContact CB-OE2 3.42Å; I151-E186 HydrophobicContact CD1-CB 4.06Å; I151-E186 HydrophobicContact CG2-CB 4.11Å; S152-E186 WeakPolarHBondContact CB-OE1 3.45Å; S152-E186 WeakPolarHBondContact CB-OE2 3.43Å; S152-E186 PolarHBondContact N-OE2 2.72Å; S152-E186 PolarHBondContact OG-OE1 2.71Å; S152-E186 PolarHBondContact OG-OE2 2.87Å; S184-E186 PolarHBondContact O-N 3.27Å; E186-S189 PolarHBondContact O-N 3.41Å; E186-S189 PolarHBondContact O-OG 3.33Å; E186-L190 PolarHBondContact O-N 3.29Å |
| 187 | F | 87.7 | Confident | 84.8 | Confident | 19 Ų | 19 | 40.9 Ų | 40.9 | 8% | 0.083 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.8 | -48.4 | 175.3 | 180 | -95.4 | 0 | 0 | 0 | 111.2 | I151 F177 I180 I181 S184 H185 S189 L190 T342 I344 V353 M643 | I151-F187 VanDerWaalsContact CD1-CA 3.46Å; I151-F187 HydrophobicContact CD1-CB 3.66Å; I151-F187 HydrophobicContact CD1-CD2 4.35Å; I151-F187 VanDerWaalsContact CD1-N 3.33Å; F177-F187 HydrophobicContact CE2-CD2 4.41Å; F177-F187 AromaticContact CE2-CE2 3.74Å; F177-F187 HydrophobicContact CE2-CE2 3.74Å; F177-F187 HydrophobicContact CE2-CZ 4.4Å; F177-F187 HydrophobicContact CZ-CE2 4.16Å; I180-F187 HydrophobicContact CG2-CB 4.21Å; I180-F187 HydrophobicContact CG2-CD2 4.19Å; I180-F187 HydrophobicContact CG2-CG 4.43Å; I181-F187 HydrophobicContact CB-CE1 4.48Å; I181-F187 HydrophobicContact CG1-CE1 3.98Å; I181-F187 HydrophobicContact CG1-CE2 4.2Å; I181-F187 HydrophobicContact CG1-CZ 3.76Å; I181-F187 HydrophobicContact CG2-CE1 4.49Å; S184-F187 WeakPolarHBondContact O-CB 3.44Å; S184-F187 PolarHBondContact O-N 3Å; S184-F187 VanDerWaalsContact O-N 3.1Å; H185-F187 VanDerWaalsContact C-N 3.33Å; H185-F187 PolarHBondContact O-N 2.9Å; F187-S189 PolarHBondContact O-N 2.91Å; F187-S189 VanDerWaalsContact O-N 3.14Å; F187-L190 WeakPolarHBondContact O-CB 3.29Å; F187-L190 PolarHBondContact O-N 2.63Å; F187-L190 VanDerWaalsContact O-N 3.13Å; F187-T342 HydrophobicContact CZ-CG2 4.29Å; F187-I344 HydrophobicContact CD2-CD1 3.9Å; F187-I344 HydrophobicContact CD2-CG1 4.14Å; F187-I344 HydrophobicContact CE2-CD1 3.97Å; F187-I344 HydrophobicContact CE2-CG1 3.76Å; F187-V353 HydrophobicContact CD2-CG2 3.86Å; F187-V353 HydrophobicContact CE1-CG1 4.38Å; F187-V353 HydrophobicContact CE1-CG2 4.31Å; F187-V353 HydrophobicContact CE2-CB 4.41Å; F187-V353 HydrophobicContact CE2-CG1 4.06Å; F187-V353 HydrophobicContact CE2-CG2 3.41Å; F187-V353 VanDerWaalsContact CE2-CG2 3.41Å; F187-V353 HydrophobicContact CG-CG2 4.47Å; F187-V353 HydrophobicContact CZ-CB 4.32Å; F187-V353 HydrophobicContact CZ-CG1 3.61Å; F187-V353 HydrophobicContact CZ-CG2 3.67Å; F187-M643 HydrophobicContact CB-SD 4.39Å; F187-M643 HydrophobicContact CD1-SD 3.81Å |
| 188 | S | 80.6 | Confident | 84.4 | Confident | 71 Ų | 71 | 41 Ų | 41 | 50% | 0.497 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.1 | -25.4 | 175.1 | -77.2 | 0 | 0 | 0 | 0 | 113.9 | S184 H185 M643 | S184-S188 PolarHBondContact O-N 2.8Å; H185-S188 PolarHBondContact O-N 3.37Å; S188-M643 PolarHBondContact OG-SD 3.17Å |
| 189 | S | 83.1 | Confident | 84 | Confident | 71 Ų | 71 | 36.1 Ų | 36.1 | 50% | 0.497 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -10.2 | -178.7 | 76.5 | 0 | 0 | 0 | 0 | 114.4 | H185 E186 F187 | H185-S189 PolarHBondContact O-N 3.37Å; E186-S189 PolarHBondContact O-N 3.41Å; E186-S189 PolarHBondContact O-OG 3.33Å; F187-S189 PolarHBondContact O-N 2.91Å; F187-S189 VanDerWaalsContact O-N 3.14Å |
| 190 | L | 86.2 | Confident | 83.3 | Confident | 9 Ų | 9 | 37.1 Ų | 37.1 | 5% | 0.047 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -69.4 | 147.9 | 177.6 | -69 | 177.5 | 0 | 0 | 0 | 110.7 | I151 E186 F187 H192 M351 V353 | I151-L190 HydrophobicContact CD1-CD1 4.18Å; I151-L190 HydrophobicContact CG2-CD1 4.2Å; I151-L190 HydrophobicContact CG2-CD2 4.01Å; I151-L190 HydrophobicContact CG2-CG 4.35Å; E186-L190 PolarHBondContact O-N 3.29Å; F187-L190 WeakPolarHBondContact O-CB 3.29Å; F187-L190 PolarHBondContact O-N 2.63Å; F187-L190 VanDerWaalsContact O-N 3.13Å; L190-H192 PolarHBondContact O-N 3.44Å; L190-M351 HydrophobicContact CD1-CB 4.42Å; L190-M351 HydrophobicContact CD2-CB 3.93Å; L190-V353 HydrophobicContact CB-CG2 3.86Å; L190-V353 HydrophobicContact CD1-CG2 3.87Å; L190-V353 HydrophobicContact CG-CG2 4.48Å |
| 191 | P | 86.4 | Confident | 82.1 | Confident | 46 Ų | 46 | 43.3 Ų | 43.3 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | trans | -52.7 | 126.2 | 169.7 | -24.4 | 33.9 | 0 | 0 | 0 | 110.5 | M238 A352 V353 | P191-M238 HydrophobicContact CB-CG 3.8Å; P191-M238 HydrophobicContact CG-CG 3.92Å; P191-A352 HydrophobicContact CB-CB 4.42Å; P191-A352 WeakPolarHBondContact O-CA 3.33Å; P191-V353 PolarHBondContact O-N 2.92Å | ||
| 192 | H | 86 | Confident | 81.1 | Confident | 41 Ų | 41 | 46.1 Ų | 46.1 | 19% | 0.19 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 115.8 | -179.1 | -175.7 | -104.6 | 0 | 0 | 0 | 110.4 | L190 S242 V353 T355 R386 | L190-H192 PolarHBondContact O-N 3.44Å; H192-S242 WeakPolarHBondContact O-CA 3.27Å; H192-S242 WeakPolarHBondContact O-CB 3.46Å; H192-V353 CarbonylContact C-O 3.54Å; H192-V353 WeakPolarHBondContact CA-O 3.35Å; H192-T355 PolarHBondContact NE2-OG1 3.47Å; H192-R386 PolarHBondContact CE1-NH1 3Å; H192-R386 PolarHBondContact ND1-NH1 2.9Å |
| 193 | I | 86 | Confident | 80.8 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 123.4 | 178.6 | -56.1 | 171.9 | 0 | 0 | 0 | 107.7 | V195 F223 M238 L241 L246 I347 A352 V353 I354 T355 | I193-V195 HydrophobicContact CG2-CG2 4Å; I193-F223 HydrophobicContact CG2-CZ 4.22Å; I193-M238 HydrophobicContact CD1-SD 3.87Å; I193-L241 HydrophobicContact CD1-CB 3.81Å; I193-L241 HydrophobicContact CD1-CD1 4.11Å; I193-L241 HydrophobicContact CG1-CB 4.04Å; I193-L246 HydrophobicContact CG2-CD1 3.99Å; I193-I347 HydrophobicContact CD1-CD1 3.95Å; I193-A352 HydrophobicContact CD1-CB 4.23Å; I193-V353 PolarHBondContact N-O 3.49Å; I193-I354 HydrophobicContact CB-CG1 4.24Å; I193-I354 HydrophobicContact CB-CG2 4.47Å; I193-I354 HydrophobicContact CD1-CG1 4.42Å; I193-I354 VanDerWaalsContact O-CA 3.32Å; I193-I354 WeakPolarHBondContact O-CA 3.39Å; I193-T355 PolarHBondContact O-N 2.78Å |
| 194 | L | 84.3 | Confident | 79.9 | Confident | 29 Ų | 29 | 46.6 Ų | 46.6 | 15% | 0.152 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 124.2 | 173.9 | -178.6 | 60.8 | 0 | 0 | 0 | 109 | P245 L246 T355 E357 | L194-P245 HydrophobicContact CB-CB 4.23Å; L194-P245 HydrophobicContact CD2-CB 4.03Å; L194-P245 HydrophobicContact CD2-CG 4.03Å; L194-P245 HydrophobicContact CG-CB 4.16Å; L194-P245 CarbonylContact O-C 3.57Å; L194-P245 VanDerWaalsContact O-CA 3.27Å; L194-P245 WeakPolarHBondContact O-CA 3.43Å; L194-L246 PolarHBondContact O-N 3.21Å; L194-T355 HydrophobicContact CD1-CG2 3.89Å; L194-E357 HydrophobicContact CD1-CG 3.88Å |
| 195 | V | 86.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 120.9 | 177.2 | -176 | 0 | 0 | 0 | 0 | 108.9 | I193 I197 L219 L246 I354 T355 I356 E357 | I193-V195 HydrophobicContact CG2-CG2 4Å; V195-I197 HydrophobicContact CG1-CG1 4.16Å; V195-L219 HydrophobicContact CB-CD2 4.37Å; V195-L219 HydrophobicContact CG1-CD1 3.99Å; V195-L219 HydrophobicContact CG1-CD2 4.47Å; V195-L219 HydrophobicContact CG2-CD1 4.16Å; V195-L219 HydrophobicContact CG2-CD2 3.92Å; V195-L246 CarbonylContact C-O 3.55Å; V195-L246 WeakPolarHBondContact CA-O 3.22Å; V195-L246 HydrophobicContact CG2-CB 4.32Å; V195-L246 HydrophobicContact CG2-CD1 4.3Å; V195-I354 HydrophobicContact CG2-CG2 3.89Å; V195-T355 PolarHBondContact N-O 2.8Å; V195-I356 CarbonylContact O-C 3.52Å; V195-I356 WeakPolarHBondContact O-CA 3.45Å; V195-E357 PolarHBondContact O-N 3.42Å |
| 196 | K | 86 | Confident | 78.5 | Confident | 78 Ų | 78 | 46.3 Ų | 46.3 | 34% | 0.339 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 118.2 | 173.5 | -63.5 | -169.4 | 174.4 | -159.1 | 0 | 108.7 | L246 A247 C248 E357 | K196-L246 PolarHBondContact N-O 3.1Å; K196-A247 CarbonylContact O-C 3.58Å; K196-A247 WeakPolarHBondContact O-CA 3.38Å; K196-C248 PolarHBondContact O-N 3.09Å; K196-E357 CarbonylContact C-O 3.53Å; K196-E357 WeakPolarHBondContact CA-O 3.12Å; K196-E357 WeakPolarHBondContact CE-OE2 3.26Å; K196-E357 HydrophobicContact CG-CB 4.42Å; K196-E357 IonicContact NZ-OE2 3.77Å |
| 197 | I | 86.9 | Confident | 77.7 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 112.8 | 175 | -59.2 | -179.7 | 0 | 0 | 0 | 107.9 | V195 C248 F250 L256 I356 E357 L358 V359 | V195-I197 HydrophobicContact CG1-CG1 4.16Å; I197-C248 CarbonylContact C-O 3.57Å; I197-C248 VanDerWaalsContact CA-O 3.32Å; I197-C248 WeakPolarHBondContact CA-O 3.47Å; I197-F250 HydrophobicContact CD1-CE2 4.15Å; I197-F250 HydrophobicContact CD1-CZ 4.42Å; I197-F250 HydrophobicContact CG2-CD2 3.71Å; I197-F250 HydrophobicContact CG2-CE2 3.68Å; I197-L256 HydrophobicContact CD1-CD1 4.16Å; I197-L256 HydrophobicContact CG1-CD1 4.27Å; I197-L256 HydrophobicContact CG2-CD1 4.39Å; I197-I356 HydrophobicContact CD1-CG2 3.55Å; I197-I356 HydrophobicContact CG1-CG2 4.01Å; I197-E357 PolarHBondContact N-O 3.49Å; I197-L358 HydrophobicContact CB-CD2 3.8Å; I197-L358 HydrophobicContact CG2-CD2 3.79Å; I197-L358 WeakPolarHBondContact O-CA 3.42Å; I197-V359 PolarHBondContact O-N 2.83Å |
| 198 | I | 82.2 | Confident | 76.7 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 117.7 | -178.4 | -59.2 | 175.2 | 0 | 0 | 0 | 107.9 | C248 Y249 V268 L273 V274 | I198-C248 PolarHBondContact N-O 3.05Å; I198-Y249 WeakPolarHBondContact O-CB 3.42Å; I198-V268 HydrophobicContact CG2-CG1 4.48Å; I198-L273 HydrophobicContact CD1-CB 4.32Å; I198-V274 HydrophobicContact CD1-CG2 3.38Å |
| 199 | S | 77.4 | Confident | 76 | Confident | 17 Ų | 17 | 60.1 Ų | 60.1 | 12% | 0.119 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 141.9 | 178.3 | 69.1 | 0 | 0 | 0 | 0 | 111.1 | V359 S360 | S199-V359 PolarHBondContact N-O 2.98Å; S199-V359 PolarHBondContact OG-O 3.45Å; S199-S360 WeakPolarHBondContact OG-CA 3.32Å |
| 200 | D | 71 | Confident | 75.5 | Confident | 47 Ų | 47 | 57.1 Ų | 57.1 | 25% | 0.251 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 152.4 | 176.3 | -165.1 | 12.8 | 0 | 0 | 0 | 112.5 | G202 Q203 S267 V268 | D200-G202 PolarHBondContact O-N 2.81Å; D200-G202 VanDerWaalsContact O-N 3.08Å; D200-Q203 HydrophobicContact CB-CB 4.1Å; D200-Q203 VanDerWaalsContact O-CB 3.32Å; D200-Q203 WeakPolarHBondContact O-CB 3.43Å; D200-Q203 PolarHBondContact O-N 3.37Å; D200-S267 VanDerWaalsContact CG-OG 3.26Å; D200-S267 WeakPolarHBondContact OD1-CB 3.23Å; D200-S267 PolarHBondContact OD1-OG 2.87Å; D200-S267 PolarHBondContact OD2-OG 3.1Å; D200-V268 HydrophobicContact CB-CG2 4.06Å |
| 201 | K | 63.1 | Low | 74.9 | Confident | 131 Ų | 131 | 59.5 Ų | 59.5 | 57% | 0.57 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 108.2 | -179.8 | -169.4 | 178.1 | -178.3 | 179.4 | 0 | 110.2 | ||
| 202 | G | 60.2 | Low | 74.4 | Confident | 74 Ų | 74 | 60.1 Ų | 60.1 | 76% | 0.763 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.7 | -1.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D200 T204 | D200-G202 PolarHBondContact O-N 2.81Å; D200-G202 VanDerWaalsContact O-N 3.08Å; G202-T204 PolarHBondContact O-N 2.48Å |
| 203 | Q | 66.8 | Low | 74.2 | Confident | 43 Ų | 43 | 64.3 Ų | 64.3 | 20% | 0.201 | 33% | 0.328 | C | S | . | . | trans | -71 | 108.8 | 173.2 | -167.4 | 174.9 | 31.7 | 0 | 0 | 109.8 | D200 W254 | D200-Q203 HydrophobicContact CB-CB 4.1Å; D200-Q203 VanDerWaalsContact O-CB 3.32Å; D200-Q203 WeakPolarHBondContact O-CB 3.43Å; D200-Q203 PolarHBondContact O-N 3.37Å; Q203-W254 HydrophobicContact CG-CH2 3.79Å; Q203-W254 HydrophobicContact CG-CZ2 4.11Å; Q203-W254 HydrophobicContact CG-CZ3 4.42Å | ||
| 204 | T | 63.8 | Low | 74.1 | Confident | 127 Ų | 127 | 67.7 Ų | 67.7 | 78% | 0.779 | 34% | 0.342 | S | S | * | . | trans | -86.4 | 111.1 | 172.6 | 50.9 | 0 | 0 | 0 | 0 | 109.6 | G202 D206 | G202-T204 PolarHBondContact O-N 2.48Å; T204-D206 PolarHBondContact O-N 2.85Å | ||
| 205 | I | 67.7 | Low | 74.1 | Confident | 34 Ų | 34 | 66.4 Ų | 66.4 | 17% | 0.174 | 34% | 0.335 | C | S | . | . | trans | -77.8 | 116.3 | 176.3 | -57.5 | 175.1 | 0 | 0 | 0 | 109 | W207 F210 W254 L358 | I205-W207 HydrophobicContact CB-CZ2 4.4Å; I205-W207 HydrophobicContact CD1-CH2 4.31Å; I205-W207 HydrophobicContact CD1-CZ2 4.46Å; I205-W207 HydrophobicContact CG2-CD2 4.05Å; I205-W207 HydrophobicContact CG2-CE3 3.99Å; I205-W207 HydrophobicContact CG2-CH2 4.34Å; I205-W207 HydrophobicContact CG2-CZ2 4.37Å; I205-W207 HydrophobicContact CG2-CZ3 4.14Å; I205-W207 PolarHBondContact O-N 3.22Å; I205-F210 HydrophobicContact CG2-CB 3.51Å; I205-F210 HydrophobicContact CG2-CD2 4.12Å; I205-F210 HydrophobicContact CG2-CG 3.95Å; I205-W254 HydrophobicContact CG1-CH2 4.07Å; I205-W254 HydrophobicContact CG1-CZ3 4.42Å; I205-L358 HydrophobicContact CD1-CD2 4.38Å | ||
| 206 | D | 70.8 | Confident | 74.1 | Confident | 87 Ų | 87 | 66.4 Ų | 66.4 | 47% | 0.465 | 34% | 0.335 | S | S | . | . | trans | -78.8 | 96.3 | 168.3 | -176.9 | -0.9 | 0 | 0 | 0 | 109.7 | T204 K208 L209 F210 | T204-D206 PolarHBondContact O-N 2.85Å; D206-K208 PolarHBondContact O-N 2.94Å; D206-K208 WeakPolarHBondContact OD1-CB 3.3Å; D206-K208 PolarHBondContact OD1-N 2.82Å; D206-L209 HydrophobicContact CB-CB 4.39Å; D206-L209 PolarHBondContact O-N 2.82Å; D206-F210 HydrophobicContact CB-CD2 4.43Å; D206-F210 WeakPolarHBondContact O-CD2 3.46Å; D206-F210 PolarHBondContact O-N 2.91Å | ||
| 207 | W | 68.5 | Low | 74.2 | Confident | 126 Ų | 126 | 65.8 Ų | 65.8 | 48% | 0.477 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -15.6 | -179.4 | -60 | 108.2 | 0 | 0 | 0 | 114.9 | I205 L209 V339 F341 L358 | I205-W207 HydrophobicContact CB-CZ2 4.4Å; I205-W207 HydrophobicContact CD1-CH2 4.31Å; I205-W207 HydrophobicContact CD1-CZ2 4.46Å; I205-W207 HydrophobicContact CG2-CD2 4.05Å; I205-W207 HydrophobicContact CG2-CE3 3.99Å; I205-W207 HydrophobicContact CG2-CH2 4.34Å; I205-W207 HydrophobicContact CG2-CZ2 4.37Å; I205-W207 HydrophobicContact CG2-CZ3 4.14Å; I205-W207 PolarHBondContact O-N 3.22Å; W207-L209 VanDerWaalsContact C-N 3.34Å; W207-V339 HydrophobicContact CH2-CB 3.91Å; W207-V339 HydrophobicContact CH2-CG1 4.23Å; W207-V339 HydrophobicContact CH2-CG2 3.52Å; W207-V339 HydrophobicContact CZ2-CG2 3.93Å; W207-V339 HydrophobicContact CZ3-CB 4.34Å; W207-V339 HydrophobicContact CZ3-CG1 4.17Å; W207-V339 HydrophobicContact CZ3-CG2 4.22Å; W207-F341 HydrophobicContact CZ3-CZ 4.36Å; W207-L358 HydrophobicContact CH2-CD1 3.42Å; W207-L358 VanDerWaalsContact CH2-CD1 3.42Å; W207-L358 HydrophobicContact CZ3-CD1 3.48Å; W207-L358 VanDerWaalsContact CZ3-CD1 3.48Å |
| 208 | K | 66.3 | Low | 74.3 | Confident | 189 Ų | 189 | 67.2 Ų | 67.2 | 82% | 0.822 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -29.4 | 172.2 | -67.6 | -179.2 | 177 | 177.8 | 0 | 112.4 | D206 | D206-K208 PolarHBondContact O-N 2.94Å; D206-K208 WeakPolarHBondContact OD1-CB 3.3Å; D206-K208 PolarHBondContact OD1-N 2.82Å |
| 209 | L | 67.4 | Low | 74.7 | Confident | 107 Ų | 107 | 66.9 Ų | 66.9 | 56% | 0.56 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -39.7 | 179.2 | -154 | 81.2 | 0 | 0 | 0 | 111.2 | D206 W207 N211 | D206-L209 HydrophobicContact CB-CB 4.39Å; D206-L209 PolarHBondContact O-N 2.82Å; W207-L209 VanDerWaalsContact C-N 3.34Å; L209-N211 PolarHBondContact O-N 2.81Å |
| 210 | F | 71.6 | Confident | 75.3 | Confident | 8 Ų | 8 | 66.8 Ų | 66.8 | 4% | 0.035 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -97.9 | 60.2 | -177 | -66.3 | -81.6 | 0 | 0 | 0 | 111.7 | I205 D206 Y214 M215 W254 | I205-F210 HydrophobicContact CG2-CB 3.51Å; I205-F210 HydrophobicContact CG2-CD2 4.12Å; I205-F210 HydrophobicContact CG2-CG 3.95Å; D206-F210 HydrophobicContact CB-CD2 4.43Å; D206-F210 WeakPolarHBondContact O-CD2 3.46Å; D206-F210 PolarHBondContact O-N 2.91Å; F210-Y214 AromaticContact CD1-CD1 3.59Å; F210-Y214 HydrophobicContact CD1-CD1 3.59Å; F210-Y214 AromaticContact CD1-CE1 3.61Å; F210-Y214 HydrophobicContact CD1-CE1 3.61Å; F210-Y214 AromaticContact CE1-CD1 3.85Å; F210-Y214 HydrophobicContact CE1-CD1 3.85Å; F210-Y214 AromaticContact CE1-CE1 3.34Å; F210-Y214 HydrophobicContact CE1-CE1 3.34Å; F210-Y214 HydrophobicContact CZ-CE1 4.36Å; F210-M215 WeakPolarHBondContact O-CE 3.39Å; F210-W254 HydrophobicContact CD1-CD2 4.29Å; F210-W254 AromaticContact CD1-CE3 3.73Å; F210-W254 HydrophobicContact CD1-CE3 3.73Å; F210-W254 HydrophobicContact CD1-CH2 4.35Å; F210-W254 AromaticContact CD1-CZ3 3.75Å; F210-W254 HydrophobicContact CD1-CZ3 3.75Å; F210-W254 HydrophobicContact CD2-CH2 4.08Å; F210-W254 HydrophobicContact CD2-CZ2 4.31Å; F210-W254 HydrophobicContact CD2-CZ3 4.31Å; F210-W254 HydrophobicContact CE1-CB 4.07Å; F210-W254 AromaticContact CE1-CD2 3.22Å; F210-W254 HydrophobicContact CE1-CD2 3.22Å; F210-W254 AromaticContact CE1-CE2 3.84Å; F210-W254 AromaticContact CE1-CE3 3.04Å; F210-W254 HydrophobicContact CE1-CE3 3.04Å; F210-W254 AromaticContact CE1-CG 3.7Å; F210-W254 HydrophobicContact CE1-CG 3.7Å; F210-W254 HydrophobicContact CE1-CH2 4.04Å; F210-W254 HydrophobicContact CE1-CZ2 4.22Å; F210-W254 AromaticContact CE1-CZ3 3.48Å; F210-W254 HydrophobicContact CE1-CZ3 3.48Å; F210-W254 VanDerWaalsContact CE1-CZ3 3.48Å; F210-W254 AromaticContact CE2-CD2 3.96Å; F210-W254 HydrophobicContact CE2-CD2 3.96Å; F210-W254 AromaticContact CE2-CE2 3.65Å; F210-W254 HydrophobicContact CE2-CE3 4.18Å; F210-W254 AromaticContact CE2-CH2 3.75Å; F210-W254 HydrophobicContact CE2-CH2 3.75Å; F210-W254 AromaticContact CE2-CZ2 3.55Å; F210-W254 HydrophobicContact CE2-CZ2 3.55Å; F210-W254 HydrophobicContact CE2-CZ3 4.07Å; F210-W254 HydrophobicContact CG-CH2 4.4Å; F210-W254 HydrophobicContact CG-CZ3 4.19Å; F210-W254 HydrophobicContact CZ-CB 4.23Å; F210-W254 AromaticContact CZ-CD1 3.84Å; F210-W254 AromaticContact CZ-CD2 3.03Å; F210-W254 HydrophobicContact CZ-CD2 3.03Å; F210-W254 AromaticContact CZ-CE2 3.15Å; F210-W254 AromaticContact CZ-CE3 3.35Å; F210-W254 HydrophobicContact CZ-CE3 3.35Å; F210-W254 AromaticContact CZ-CG 3.47Å; F210-W254 HydrophobicContact CZ-CG 3.47Å; F210-W254 VanDerWaalsContact CZ-CG 3.47Å; F210-W254 AromaticContact CZ-CH2 3.77Å; F210-W254 HydrophobicContact CZ-CH2 3.77Å; F210-W254 AromaticContact CZ-CZ2 3.54Å; F210-W254 HydrophobicContact CZ-CZ2 3.54Å; F210-W254 AromaticContact CZ-CZ3 3.69Å; F210-W254 HydrophobicContact CZ-CZ3 3.69Å; F210-W254 AromaticContact CZ-NE1 3.67Å |
| 211 | N | 73.6 | Confident | 76.1 | Confident | 58 Ų | 58 | 69.3 Ų | 69.3 | 31% | 0.31 | 35% | 0.348 | S | S | . | . | trans | -81 | 172.7 | 172.1 | 63.2 | 21.7 | 0 | 0 | 0 | 111.6 | L209 K213 Y214 M215 | L209-N211 PolarHBondContact O-N 2.81Å; N211-K213 PolarHBondContact O-N 3.06Å; N211-K213 VanDerWaalsContact O-N 3.16Å; N211-K213 WeakPolarHBondContact OD1-CB 3.31Å; N211-K213 PolarHBondContact OD1-N 3.48Å; N211-Y214 PolarHBondContact O-N 3.04Å; N211-Y214 VanDerWaalsContact O-N 3.13Å; N211-Y214 PolarHBondContact OD1-N 3.08Å; N211-M215 WeakPolarHBondContact O-CE 2.97Å; N211-M215 PolarHBondContact O-N 3.19Å; N211-M215 VanDerWaalsContact O-N 3.13Å | ||
| 212 | E | 77 | Confident | 77.2 | Confident | 60 Ų | 60 | 63.5 Ų | 63.5 | 28% | 0.28 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -50.1 | -39.1 | 178.2 | 59.3 | -73.1 | 166.8 | 0 | 0 | 113 | G216 F328 F341 | E212-G216 PolarHBondContact O-N 3.36Å; E212-F328 HydrophobicContact CB-CB 4.28Å; E212-F328 HydrophobicContact CB-CD1 4.48Å; E212-F328 HydrophobicContact CB-CD2 4.3Å; E212-F328 HydrophobicContact CB-CG 4.16Å; E212-F328 HydrophobicContact CG-CB 3.9Å; E212-F328 HydrophobicContact CG-CD2 4.22Å; E212-F328 HydrophobicContact CG-CG 4.18Å; E212-F328 VanDerWaalsContact O-CE2 3.29Å; E212-F328 WeakPolarHBondContact O-CE2 3.33Å; E212-F328 WeakPolarHBondContact O-CZ 3.42Å; E212-F341 HydrophobicContact CB-CB 4.42Å; E212-F341 HydrophobicContact CB-CD1 3.47Å; E212-F341 VanDerWaalsContact CB-CD1 3.47Å; E212-F341 HydrophobicContact CB-CE1 3.81Å; E212-F341 HydrophobicContact CB-CG 4Å |
| 213 | K | 81.9 | Confident | 78.5 | Confident | 129 Ų | 129 | 60.2 Ų | 60.2 | 56% | 0.561 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -65.5 | -50.6 | 179.4 | -176.6 | -179.3 | 177.2 | -177.2 | 0 | 111.4 | N211 M215 G216 D217 | N211-K213 PolarHBondContact O-N 3.06Å; N211-K213 VanDerWaalsContact O-N 3.16Å; N211-K213 WeakPolarHBondContact OD1-CB 3.31Å; N211-K213 PolarHBondContact OD1-N 3.48Å; K213-M215 VanDerWaalsContact C-N 3.34Å; K213-M215 PolarHBondContact O-N 3.23Å; K213-G216 PolarHBondContact O-N 3.48Å; K213-D217 VanDerWaalsContact O-CG 3.32Å; K213-D217 PolarHBondContact O-N 3.4Å |
| 214 | Y | 83.8 | Confident | 79.4 | Confident | 71 Ų | 71 | 60.4 Ų | 60.4 | 28% | 0.278 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.8 | -44.9 | -179.7 | -176.8 | -86.4 | 0 | 0 | 0 | 111.8 | F210 N211 D217 K218 | F210-Y214 AromaticContact CD1-CD1 3.59Å; F210-Y214 HydrophobicContact CD1-CD1 3.59Å; F210-Y214 AromaticContact CD1-CE1 3.61Å; F210-Y214 HydrophobicContact CD1-CE1 3.61Å; F210-Y214 AromaticContact CE1-CD1 3.85Å; F210-Y214 HydrophobicContact CE1-CD1 3.85Å; F210-Y214 AromaticContact CE1-CE1 3.34Å; F210-Y214 HydrophobicContact CE1-CE1 3.34Å; F210-Y214 HydrophobicContact CZ-CE1 4.36Å; N211-Y214 PolarHBondContact O-N 3.04Å; N211-Y214 VanDerWaalsContact O-N 3.13Å; N211-Y214 PolarHBondContact OD1-N 3.08Å; Y214-D217 PolarHBondContact O-N 3.13Å; Y214-K218 HydrophobicContact CD1-CG 4.17Å; Y214-K218 HydrophobicContact CE1-CG 3.67Å; Y214-K218 PolarHBondContact O-N 2.68Å; Y214-K218 WeakPolarHBondContact OH-CE 3.47Å |
| 215 | M | 83.3 | Confident | 80.4 | Confident | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 177.1 | -76.1 | -179.9 | -78.7 | 0 | 0 | 112.4 | F210 N211 K213 K218 L219 F250 F341 L358 | F210-M215 WeakPolarHBondContact O-CE 3.39Å; N211-M215 WeakPolarHBondContact O-CE 2.97Å; N211-M215 PolarHBondContact O-N 3.19Å; N211-M215 VanDerWaalsContact O-N 3.13Å; K213-M215 VanDerWaalsContact C-N 3.34Å; K213-M215 PolarHBondContact O-N 3.23Å; M215-K218 PolarHBondContact O-N 3.14Å; M215-L219 WeakPolarHBondContact O-CB 3.34Å; M215-L219 PolarHBondContact O-N 2.86Å; M215-F250 HydrophobicContact CG-CZ 4.42Å; M215-F341 HydrophobicContact CE-CD2 3.89Å; M215-F341 HydrophobicContact CE-CE1 4.3Å; M215-F341 HydrophobicContact CE-CE2 3.08Å; M215-F341 HydrophobicContact CE-CZ 3.31Å; M215-F341 HydrophobicContact SD-CD2 4.49Å; M215-F341 HydrophobicContact SD-CE2 3.89Å; M215-L358 HydrophobicContact CE-CD1 4.11Å; M215-L358 HydrophobicContact SD-CD1 3.65Å; M215-L358 HydrophobicContact SD-CD2 4.04Å; M215-L358 HydrophobicContact SD-CG 4.11Å |
| 216 | G | 87.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.3 | -44.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E212 K213 L219 L220 I325 | E212-G216 PolarHBondContact O-N 3.36Å; K213-G216 PolarHBondContact O-N 3.48Å; G216-L219 PolarHBondContact O-N 2.99Å; G216-L220 WeakPolarHBondContact O-CB 3.37Å; G216-L220 PolarHBondContact O-N 2.9Å; G216-I325 VanDerWaalsContact C-CD1 3.42Å |
| 217 | D | 88.4 | Confident | 81.3 | Confident | 64 Ų | 64 | 56 Ų | 56 | 34% | 0.342 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 178.8 | -72.4 | -28.6 | 0 | 0 | 0 | 110.2 | K213 Y214 L219 L220 E221 I325 | K213-D217 VanDerWaalsContact O-CG 3.32Å; K213-D217 PolarHBondContact O-N 3.4Å; Y214-D217 PolarHBondContact O-N 3.13Å; D217-L219 PolarHBondContact O-N 2.78Å; D217-L220 WeakPolarHBondContact O-CB 3.19Å; D217-L220 PolarHBondContact O-N 2.9Å; D217-E221 WeakPolarHBondContact O-CG 3.48Å; D217-E221 PolarHBondContact O-N 3.1Å; D217-I325 VanDerWaalsContact OD1-CD1 3.25Å; D217-I325 WeakPolarHBondContact OD1-CD1 3.43Å |
| 218 | K | 88.7 | Confident | 81.8 | Confident | 31 Ų | 31 | 59.2 Ų | 59.2 | 14% | 0.135 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 174.7 | -76.1 | -59.5 | -175.7 | -172 | 0 | 113.7 | Y214 M215 L220 E221 W222 F250 W254 | Y214-K218 HydrophobicContact CD1-CG 4.17Å; Y214-K218 HydrophobicContact CE1-CG 3.67Å; Y214-K218 PolarHBondContact O-N 2.68Å; Y214-K218 WeakPolarHBondContact OH-CE 3.47Å; M215-K218 PolarHBondContact O-N 3.14Å; K218-L220 VanDerWaalsContact C-N 3.33Å; K218-E221 WeakPolarHBondContact CD-OE2 3.44Å; K218-E221 IonicContact NZ-OE2 3.87Å; K218-E221 PolarHBondContact NZ-OE2 3.22Å; K218-E221 PolarHBondContact O-N 3.38Å; K218-W222 WeakPolarHBondContact O-CB 2.9Å; K218-W222 PolarHBondContact O-N 3.39Å; K218-F250 HydrophobicContact CB-CE1 4.14Å; K218-F250 HydrophobicContact CB-CZ 4.42Å; K218-F250 HydrophobicContact CG-CE1 4.22Å; K218-W254 WeakPolarHBondContact CE-O 3.22Å |
| 219 | L | 89.8 | Confident | 82.3 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 175.2 | -179.4 | 61.7 | 0 | 0 | 0 | 111.6 | V195 M215 G216 D217 W222 F223 L256 I354 I356 | V195-L219 HydrophobicContact CB-CD2 4.37Å; V195-L219 HydrophobicContact CG1-CD1 3.99Å; V195-L219 HydrophobicContact CG1-CD2 4.47Å; V195-L219 HydrophobicContact CG2-CD1 4.16Å; V195-L219 HydrophobicContact CG2-CD2 3.92Å; M215-L219 WeakPolarHBondContact O-CB 3.34Å; M215-L219 PolarHBondContact O-N 2.86Å; G216-L219 PolarHBondContact O-N 2.99Å; D217-L219 PolarHBondContact O-N 2.78Å; L219-W222 HydrophobicContact CD1-CE3 4.1Å; L219-W222 PolarHBondContact O-N 3.02Å; L219-F223 HydrophobicContact CD1-CD2 4.02Å; L219-F223 HydrophobicContact CD1-CE2 3.64Å; L219-F223 HydrophobicContact CD1-CZ 4.41Å; L219-F223 HydrophobicContact CD2-CE2 4.09Å; L219-F223 HydrophobicContact CG-CD2 3.89Å; L219-F223 HydrophobicContact CG-CE2 3.66Å; L219-F223 VanDerWaalsContact O-CD2 3.23Å; L219-F223 WeakPolarHBondContact O-CD2 3.49Å; L219-F223 PolarHBondContact O-N 2.93Å; L219-L256 HydrophobicContact CB-CD2 4.34Å; L219-L256 HydrophobicContact CD1-CD2 3.67Å; L219-I354 HydrophobicContact CD2-CD1 4.37Å; L219-I354 HydrophobicContact CD2-CG2 3.78Å; L219-I356 HydrophobicContact CD2-CD1 3.79Å; L219-I356 HydrophobicContact CD2-CG1 3.94Å |
| 220 | L | 89.2 | Confident | 82.5 | Confident | 14 Ų | 14 | 51.8 Ų | 51.8 | 7% | 0.073 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.2 | -43.9 | 177.2 | -165.8 | 71.7 | 0 | 0 | 0 | 111.5 | G216 D217 K218 W222 F223 Q224 W323 F345 | G216-L220 WeakPolarHBondContact O-CB 3.37Å; G216-L220 PolarHBondContact O-N 2.9Å; D217-L220 WeakPolarHBondContact O-CB 3.19Å; D217-L220 PolarHBondContact O-N 2.9Å; K218-L220 VanDerWaalsContact C-N 3.33Å; L220-W222 VanDerWaalsContact C-N 3.3Å; L220-W222 PolarHBondContact O-N 3.15Å; L220-F223 PolarHBondContact O-N 2.86Å; L220-Q224 WeakPolarHBondContact O-CB 3.45Å; L220-Q224 VanDerWaalsContact O-CG 3.29Å; L220-Q224 WeakPolarHBondContact O-CG 3.49Å; L220-Q224 PolarHBondContact O-N 2.95Å; L220-W323 HydrophobicContact CD1-CB 4.14Å; L220-W323 HydrophobicContact CD1-CE3 3.72Å; L220-W323 HydrophobicContact CD2-CB 4.02Å; L220-W323 HydrophobicContact CG-CB 4.17Å; L220-W323 HydrophobicContact CG-CE3 4.36Å; L220-F345 HydrophobicContact CD1-CD1 4.46Å |
| 221 | E | 88 | Confident | 82.6 | Confident | 100 Ų | 100 | 53.7 Ų | 53.7 | 47% | 0.467 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -55.1 | -46.8 | 172 | -75.2 | 176.8 | -178.6 | 0 | 0 | 111 | D217 K218 Q224 Q225 | D217-E221 WeakPolarHBondContact O-CG 3.48Å; D217-E221 PolarHBondContact O-N 3.1Å; K218-E221 WeakPolarHBondContact CD-OE2 3.44Å; K218-E221 IonicContact NZ-OE2 3.87Å; K218-E221 PolarHBondContact NZ-OE2 3.22Å; K218-E221 PolarHBondContact O-N 3.38Å; E221-Q224 WeakPolarHBondContact O-CB 3.42Å; E221-Q224 PolarHBondContact O-N 2.84Å; E221-Q225 PolarHBondContact O-N 2.88Å |
| 222 | W | 87.6 | Confident | 82.5 | Confident | 10 Ų | 10 | 56.5 Ų | 56.5 | 4% | 0.038 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 178.1 | -179.4 | 82.8 | 0 | 0 | 0 | 112.5 | K218 L219 L220 Q224 Q225 R226 L246 L256 D258 | K218-W222 WeakPolarHBondContact O-CB 2.9Å; K218-W222 PolarHBondContact O-N 3.39Å; L219-W222 HydrophobicContact CD1-CE3 4.1Å; L219-W222 PolarHBondContact O-N 3.02Å; L220-W222 VanDerWaalsContact C-N 3.3Å; L220-W222 PolarHBondContact O-N 3.15Å; W222-Q224 PolarHBondContact O-N 3.08Å; W222-Q225 PolarHBondContact O-N 3.17Å; W222-R226 HydrophobicContact CD2-CG 4.3Å; W222-R226 HydrophobicContact CZ2-CG 4.14Å; W222-R226 WeakPolarHBondContact O-CG 3.41Å; W222-R226 PolarHBondContact O-N 3.19Å; W222-L246 HydrophobicContact CH2-CD1 4.31Å; W222-L246 HydrophobicContact CZ3-CD1 4.03Å; W222-L256 HydrophobicContact CB-CB 4.24Å; W222-L256 HydrophobicContact CB-CD2 3.98Å; W222-L256 HydrophobicContact CD2-CD2 4.35Å; W222-L256 HydrophobicContact CG-CB 4.37Å; W222-L256 HydrophobicContact CG-CD2 4.04Å; W222-L256 HydrophobicContact CG-CG 4.44Å; W222-D258 HydrophobicContact CZ2-CB 4.18Å |
| 223 | F | 86.2 | Confident | 82.1 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.018 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61 | -43.6 | 174.6 | -83.6 | -63 | 0 | 0 | 0 | 112.2 | I193 L219 L220 Q225 R226 V227 L241 L246 W323 I347 I354 | I193-F223 HydrophobicContact CG2-CZ 4.22Å; L219-F223 HydrophobicContact CD1-CD2 4.02Å; L219-F223 HydrophobicContact CD1-CE2 3.64Å; L219-F223 HydrophobicContact CD1-CZ 4.41Å; L219-F223 HydrophobicContact CD2-CE2 4.09Å; L219-F223 HydrophobicContact CG-CD2 3.89Å; L219-F223 HydrophobicContact CG-CE2 3.66Å; L219-F223 VanDerWaalsContact O-CD2 3.23Å; L219-F223 WeakPolarHBondContact O-CD2 3.49Å; L219-F223 PolarHBondContact O-N 2.93Å; L220-F223 PolarHBondContact O-N 2.86Å; F223-Q225 VanDerWaalsContact C-N 3.3Å; F223-Q225 PolarHBondContact O-N 3.3Å; F223-R226 PolarHBondContact O-N 3.29Å; F223-V227 WeakPolarHBondContact O-CG2 3.22Å; F223-V227 PolarHBondContact O-N 3.3Å; F223-L241 HydrophobicContact CD1-CD1 4.03Å; F223-L241 HydrophobicContact CE1-CD1 3.56Å; F223-L241 HydrophobicContact CE1-CD2 4.04Å; F223-L241 HydrophobicContact CE1-CG 4.35Å; F223-L241 HydrophobicContact CZ-CD1 4.37Å; F223-L246 HydrophobicContact CE1-CD1 3.77Å; F223-L246 HydrophobicContact CZ-CD1 3.59Å; F223-W323 HydrophobicContact CB-CH2 4.47Å; F223-W323 HydrophobicContact CB-CZ3 3.82Å; F223-I347 HydrophobicContact CD2-CD1 4.41Å; F223-I347 HydrophobicContact CE2-CD1 4.43Å; F223-I354 HydrophobicContact CE2-CD1 4.07Å |
| 224 | Q | 86.2 | Confident | 81.3 | Confident | 48 Ų | 48 | 58.7 Ų | 58.7 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.6 | -44.4 | 177.7 | -75.6 | 174.9 | 5.8 | 0 | 0 | 111.4 | L220 E221 W222 V227 R228 W323 | L220-Q224 WeakPolarHBondContact O-CB 3.45Å; L220-Q224 VanDerWaalsContact O-CG 3.29Å; L220-Q224 WeakPolarHBondContact O-CG 3.49Å; L220-Q224 PolarHBondContact O-N 2.95Å; E221-Q224 WeakPolarHBondContact O-CB 3.42Å; E221-Q224 PolarHBondContact O-N 2.84Å; W222-Q224 PolarHBondContact O-N 3.08Å; Q224-V227 PolarHBondContact O-N 3.15Å; Q224-R228 VanDerWaalsContact O-CG 3.29Å; Q224-R228 WeakPolarHBondContact O-CG 3.5Å; Q224-R228 PolarHBondContact O-N 2.81Å; Q224-W323 HydrophobicContact CG-CB 4.44Å; Q224-W323 HydrophobicContact CG-CD2 3.54Å; Q224-W323 HydrophobicContact CG-CE3 3.71Å; Q224-W323 HydrophobicContact CG-CG 3.87Å; Q224-W323 HydrophobicContact CG-CH2 4.35Å; Q224-W323 HydrophobicContact CG-CZ2 4.24Å; Q224-W323 HydrophobicContact CG-CZ3 4.08Å |
| 225 | Q | 84.4 | Confident | 80.5 | Confident | 104 Ų | 104 | 62.4 Ų | 62.4 | 49% | 0.486 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 176.8 | -178 | 175.3 | -6.8 | 0 | 0 | 111.2 | E221 W222 F223 V227 R228 E229 | E221-Q225 PolarHBondContact O-N 2.88Å; W222-Q225 PolarHBondContact O-N 3.17Å; F223-Q225 VanDerWaalsContact C-N 3.3Å; F223-Q225 PolarHBondContact O-N 3.3Å; Q225-V227 VanDerWaalsContact C-N 3.31Å; Q225-V227 PolarHBondContact O-N 3.29Å; Q225-R228 WeakPolarHBondContact O-CB 3.49Å; Q225-R228 PolarHBondContact O-N 2.7Å; Q225-R228 VanDerWaalsContact O-N 3.08Å; Q225-E229 WeakPolarHBondContact CG-OE1 3.18Å; Q225-E229 PolarHBondContact NE2-OE1 2.87Å; Q225-E229 WeakPolarHBondContact O-CG 3.38Å; Q225-E229 PolarHBondContact O-N 2.97Å |
| 226 | R | 78.8 | Confident | 80 | Confident | 32 Ų | 32 | 63.2 Ų | 63.2 | 12% | 0.121 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.3 | -37.6 | 179.2 | -68.2 | -67.5 | 164 | 155.2 | -13.2 | 112.7 | W222 F223 E229 L230 E261 W300 | W222-R226 HydrophobicContact CD2-CG 4.3Å; W222-R226 HydrophobicContact CZ2-CG 4.14Å; W222-R226 WeakPolarHBondContact O-CG 3.41Å; W222-R226 PolarHBondContact O-N 3.19Å; F223-R226 PolarHBondContact O-N 3.29Å; R226-E229 IonicContact NE-OE2 2.97Å; R226-E229 PolarHBondContact O-N 3.29Å; R226-L230 PolarHBondContact O-N 3.15Å; R226-E261 IonicContact CZ-OE1 3.86Å; R226-E261 IonicContact CZ-OE2 3.71Å; R226-E261 IonicContact NH1-OE1 2.7Å; R226-E261 PolarHBondContact NH1-OE1 3.31Å; R226-E261 IonicContact NH1-OE2 3.24Å; R226-E261 IonicContact NH2-OE1 3.86Å; R226-E261 PolarHBondContact NH2-OE1 2.7Å; R226-E261 IonicContact NH2-OE2 2.68Å; R226-E261 PolarHBondContact NH2-OE2 2.92Å; R226-W300 HydrophobicContact CB-CZ3 4.24Å; R226-W300 HydrophobicContact CG-CZ3 4.28Å |
| 227 | V | 78.3 | Confident | 79.2 | Confident | 20 Ų | 20 | 69.4 Ų | 69.4 | 12% | 0.121 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.7 | -35.9 | 174.3 | 174.4 | 0 | 0 | 0 | 0 | 112.2 | F223 Q224 Q225 E229 L230 F236 W323 | F223-V227 WeakPolarHBondContact O-CG2 3.22Å; F223-V227 PolarHBondContact O-N 3.3Å; Q224-V227 PolarHBondContact O-N 3.15Å; Q225-V227 VanDerWaalsContact C-N 3.31Å; Q225-V227 PolarHBondContact O-N 3.29Å; V227-E229 VanDerWaalsContact C-N 3.27Å; V227-E229 PolarHBondContact O-N 3.12Å; V227-L230 HydrophobicContact CG1-CD1 4.38Å; V227-L230 WeakPolarHBondContact O-CB 3.44Å; V227-L230 PolarHBondContact O-N 3.33Å; V227-F236 HydrophobicContact CG1-CD2 4.42Å; V227-F236 HydrophobicContact CG2-CD2 3.33Å; V227-F236 HydrophobicContact CG2-CE2 3.57Å; V227-F236 HydrophobicContact CG2-CG 4.22Å; V227-W323 HydrophobicContact CB-CH2 4.15Å; V227-W323 HydrophobicContact CB-CZ2 4.28Å; V227-W323 HydrophobicContact CG1-CZ2 4.32Å; V227-W323 HydrophobicContact CG2-CH2 3.72Å; V227-W323 HydrophobicContact CG2-CZ2 4.28Å |
| 228 | R | 79.7 | Confident | 78.7 | Confident | 192 Ų | 192 | 66.7 Ų | 66.7 | 73% | 0.725 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -66.7 | -28.9 | 174.3 | -72.1 | 171.9 | -175.5 | -179 | 4.3 | 112.9 | Q224 Q225 L230 | Q224-R228 VanDerWaalsContact O-CG 3.29Å; Q224-R228 WeakPolarHBondContact O-CG 3.5Å; Q224-R228 PolarHBondContact O-N 2.81Å; Q225-R228 WeakPolarHBondContact O-CB 3.49Å; Q225-R228 PolarHBondContact O-N 2.7Å; Q225-R228 VanDerWaalsContact O-N 3.08Å; R228-L230 VanDerWaalsContact C-N 3.33Å |
| 229 | E | 77.1 | Confident | 77.7 | Confident | 104 Ų | 104 | 68.2 Ų | 68.2 | 49% | 0.486 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -10.3 | 178.8 | -70.5 | 170.9 | -174 | 0 | 0 | 113.4 | Q225 R226 V227 | Q225-E229 WeakPolarHBondContact CG-OE1 3.18Å; Q225-E229 PolarHBondContact NE2-OE1 2.87Å; Q225-E229 WeakPolarHBondContact O-CG 3.38Å; Q225-E229 PolarHBondContact O-N 2.97Å; R226-E229 IonicContact NE-OE2 2.97Å; R226-E229 PolarHBondContact O-N 3.29Å; V227-E229 VanDerWaalsContact C-N 3.27Å; V227-E229 PolarHBondContact O-N 3.12Å |
| 230 | L | 70.7 | Confident | 76.7 | Confident | 37 Ų | 37 | 71.3 Ų | 71.3 | 19% | 0.194 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -61.2 | 135 | 174.7 | -72.3 | 171.3 | 0 | 0 | 0 | 110.4 | R226 V227 R228 A232 M234 F236 | R226-L230 PolarHBondContact O-N 3.15Å; V227-L230 HydrophobicContact CG1-CD1 4.38Å; V227-L230 WeakPolarHBondContact O-CB 3.44Å; V227-L230 PolarHBondContact O-N 3.33Å; R228-L230 VanDerWaalsContact C-N 3.33Å; L230-A232 PolarHBondContact O-N 3Å; L230-M234 HydrophobicContact CD2-CG 4.45Å; L230-M234 HydrophobicContact CD2-SD 3.87Å; L230-F236 HydrophobicContact CD1-CB 4.28Å; L230-F236 HydrophobicContact CD1-CD2 4.37Å |
| 231 | P | 75.1 | Confident | 75.9 | Confident | 48 Ų | 48 | 71.1 Ų | 71.1 | 31% | 0.312 | 35% | 0.347 | S | S | . | . | trans | -54.7 | 140.8 | 171.8 | -23.9 | 33.5 | 0 | 0 | 0 | 111 | H233 M234 | P231-H233 WeakPolarHBondContact CB-CE1 3.43Å; P231-H233 WeakPolarHBondContact CB-ND1 3.18Å; P231-H233 PolarHBondContact O-N 2.92Å; P231-M234 WeakPolarHBondContact O-CB 3.42Å; P231-M234 PolarHBondContact O-N 2.96Å | ||
| 232 | A | 70 | Confident | 75.1 | Confident | 116 Ų | 116 | 67.8 Ų | 67.8 | 96% | 0.959 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -19.3 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | L230 | L230-A232 PolarHBondContact O-N 3Š|
| 233 | H | 70.1 | Confident | 74.1 | Confident | 164 Ų | 164 | 73 Ų | 73 | 76% | 0.759 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -6.9 | 176.6 | 63.6 | -92.3 | 0 | 0 | 0 | 113.8 | P231 | P231-H233 WeakPolarHBondContact CB-CE1 3.43Å; P231-H233 WeakPolarHBondContact CB-ND1 3.18Å; P231-H233 PolarHBondContact O-N 2.92Å |
| 234 | M | 63.6 | Low | 73.2 | Confident | 72 Ų | 72 | 76.6 Ų | 76.6 | 36% | 0.355 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -101.3 | 127.3 | -176.4 | -165.6 | 171.5 | -178.4 | 0 | 0 | 110 | L230 P231 | L230-M234 HydrophobicContact CD2-CG 4.45Å; L230-M234 HydrophobicContact CD2-SD 3.87Å; P231-M234 WeakPolarHBondContact O-CB 3.42Å; P231-M234 PolarHBondContact O-N 2.96Å |
| 235 | E | 68.4 | Low | 72.7 | Confident | 148 Ų | 148 | 76.8 Ų | 76.8 | 69% | 0.692 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -84.8 | 137.7 | 176.4 | -166.9 | 177.1 | -177.3 | 0 | 0 | 110.8 | R237 | E235-R237 PolarHBondContact O-N 2.85Š|
| 236 | F | 72.4 | Confident | 72.7 | Confident | 19 Ų | 19 | 73 Ų | 73 | 8% | 0.083 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 125.8 | 169.8 | 175.1 | -98 | 0 | 0 | 0 | 110.6 | V227 L230 M238 L241 I347 K348 | V227-F236 HydrophobicContact CG1-CD2 4.42Å; V227-F236 HydrophobicContact CG2-CD2 3.33Å; V227-F236 HydrophobicContact CG2-CE2 3.57Å; V227-F236 HydrophobicContact CG2-CG 4.22Å; L230-F236 HydrophobicContact CD1-CB 4.28Å; L230-F236 HydrophobicContact CD1-CD2 4.37Å; F236-M238 HydrophobicContact CE1-CB 4.37Å; F236-M238 HydrophobicContact CE1-CE 3.76Å; F236-M238 HydrophobicContact CE1-SD 4.33Å; F236-M238 HydrophobicContact CZ-CE 4.06Å; F236-M238 HydrophobicContact CZ-SD 4.19Å; F236-L241 HydrophobicContact CE2-CD1 3.81Å; F236-L241 HydrophobicContact CZ-CD1 3.72Å; F236-I347 HydrophobicContact CE1-CG2 3.67Å; F236-I347 HydrophobicContact CE2-CG2 4.23Å; F236-I347 HydrophobicContact CZ-CG2 3.34Å; F236-K348 HydrophobicContact CB-CD 4Å; F236-K348 HydrophobicContact CD1-CB 4.26Å; F236-K348 HydrophobicContact CD1-CD 3.93Å; F236-K348 HydrophobicContact CE1-CB 4.47Å; F236-K348 HydrophobicContact CG-CD 4.2Å |
| 237 | R | 70.5 | Confident | 73 | Confident | 131 Ų | 131 | 71.8 Ų | 71.8 | 49% | 0.494 | 36% | 0.36 | S | S | . | . | trans | -124.8 | 111.3 | -173.4 | -82.2 | -89.1 | -62.7 | -96.2 | -2.8 | 109.3 | E235 D239 I240 | E235-R237 PolarHBondContact O-N 2.85Å; R237-D239 VanDerWaalsContact CB-OD1 3.27Å; R237-D239 WeakPolarHBondContact CB-OD1 3.38Å; R237-D239 WeakPolarHBondContact CD-OD1 3.36Å; R237-D239 IonicContact CZ-OD1 3.43Å; R237-D239 IonicContact CZ-OD2 2.69Å; R237-D239 VanDerWaalsContact CZ-OD2 3.24Å; R237-D239 VanDerWaalsContact NE-CG 3.33Å; R237-D239 IonicContact NE-OD1 2.99Å; R237-D239 PolarHBondContact NE-OD1 2.94Å; R237-D239 IonicContact NE-OD2 2.84Å; R237-D239 PolarHBondContact NE-OD2 3.18Å; R237-D239 IonicContact NH2-OD2 2.75Å; R237-D239 PolarHBondContact NH2-OD2 2.85Å; R237-I240 HydrophobicContact CB-CD1 3.59Å; R237-I240 HydrophobicContact CB-CG1 3.86Å; R237-I240 HydrophobicContact CG-CD1 4.29Å | ||
| 238 | M | 78.2 | Confident | 73.5 | Confident | 7 Ų | 7 | 70.9 Ų | 70.9 | 3% | 0.034 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.8 | -34.2 | -177.1 | -172.1 | 65.3 | 74.8 | 0 | 0 | 113 | P191 I193 F236 I240 L241 S242 I347 Q350 A352 | P191-M238 HydrophobicContact CB-CG 3.8Å; P191-M238 HydrophobicContact CG-CG 3.92Å; I193-M238 HydrophobicContact CD1-SD 3.87Å; F236-M238 HydrophobicContact CE1-CB 4.37Å; F236-M238 HydrophobicContact CE1-CE 3.76Å; F236-M238 HydrophobicContact CE1-SD 4.33Å; F236-M238 HydrophobicContact CZ-CE 4.06Å; F236-M238 HydrophobicContact CZ-SD 4.19Å; M238-I240 VanDerWaalsContact C-N 3.26Å; M238-I240 PolarHBondContact O-N 2.76Å; M238-L241 PolarHBondContact O-N 2.84Å; M238-L241 VanDerWaalsContact O-N 3.15Å; M238-L241 HydrophobicContact SD-CD1 4.33Å; M238-S242 PolarHBondContact O-N 3.47Å; M238-I347 HydrophobicContact CE-CB 3.51Å; M238-I347 HydrophobicContact CE-CD1 4.32Å; M238-I347 HydrophobicContact CE-CG1 4.49Å; M238-I347 HydrophobicContact CE-CG2 3.62Å; M238-I347 HydrophobicContact SD-CD1 4.31Å; M238-I347 HydrophobicContact SD-CG2 4.46Å; M238-Q350 VanDerWaalsContact CB-OE1 3.28Å; M238-Q350 HydrophobicContact CE-CB 3.73Å; M238-A352 HydrophobicContact CE-CB 4.39Å; M238-A352 HydrophobicContact SD-CB 4.09Å |
| 239 | D | 68.2 | Low | 73.9 | Confident | 62 Ų | 62 | 63.7 Ų | 63.7 | 33% | 0.332 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -54.8 | -42.4 | 178.5 | 52.9 | -41 | 0 | 0 | 0 | 111.7 | R237 L241 S242 E243 | R237-D239 VanDerWaalsContact CB-OD1 3.27Å; R237-D239 WeakPolarHBondContact CB-OD1 3.38Å; R237-D239 WeakPolarHBondContact CD-OD1 3.36Å; R237-D239 IonicContact CZ-OD1 3.43Å; R237-D239 IonicContact CZ-OD2 2.69Å; R237-D239 VanDerWaalsContact CZ-OD2 3.24Å; R237-D239 VanDerWaalsContact NE-CG 3.33Å; R237-D239 IonicContact NE-OD1 2.99Å; R237-D239 PolarHBondContact NE-OD1 2.94Å; R237-D239 IonicContact NE-OD2 2.84Å; R237-D239 PolarHBondContact NE-OD2 3.18Å; R237-D239 IonicContact NH2-OD2 2.75Å; R237-D239 PolarHBondContact NH2-OD2 2.85Å; D239-L241 VanDerWaalsContact C-N 3.28Å; D239-L241 PolarHBondContact O-N 2.56Å; D239-S242 PolarHBondContact O-N 3.03Å; D239-S242 PolarHBondContact O-OG 2.94Å; D239-E243 PolarHBondContact O-N 2.84Å |
| 240 | I | 68.9 | Low | 74.3 | Confident | 66 Ų | 66 | 59.2 Ų | 59.2 | 34% | 0.338 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.4 | -39.5 | 179.3 | -59.8 | 178 | 0 | 0 | 0 | 111.7 | R237 M238 S242 | R237-I240 HydrophobicContact CB-CD1 3.59Å; R237-I240 HydrophobicContact CB-CG1 3.86Å; R237-I240 HydrophobicContact CG-CD1 4.29Å; M238-I240 VanDerWaalsContact C-N 3.26Å; M238-I240 PolarHBondContact O-N 2.76Å; I240-S242 VanDerWaalsContact C-N 3.25Å; I240-S242 PolarHBondContact O-N 3.06Å |
| 241 | L | 72 | Confident | 74.9 | Confident | 10 Ų | 10 | 59 Ų | 59 | 5% | 0.052 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -71.3 | -21.4 | 180 | -59.5 | 179.1 | 0 | 0 | 0 | 112.9 | I193 F223 F236 M238 D239 L246 | I193-L241 HydrophobicContact CD1-CB 3.81Å; I193-L241 HydrophobicContact CD1-CD1 4.11Å; I193-L241 HydrophobicContact CG1-CB 4.04Å; F223-L241 HydrophobicContact CD1-CD1 4.03Å; F223-L241 HydrophobicContact CE1-CD1 3.56Å; F223-L241 HydrophobicContact CE1-CD2 4.04Å; F223-L241 HydrophobicContact CE1-CG 4.35Å; F223-L241 HydrophobicContact CZ-CD1 4.37Å; F236-L241 HydrophobicContact CE2-CD1 3.81Å; F236-L241 HydrophobicContact CZ-CD1 3.72Å; M238-L241 PolarHBondContact O-N 2.84Å; M238-L241 VanDerWaalsContact O-N 3.15Å; M238-L241 HydrophobicContact SD-CD1 4.33Å; D239-L241 VanDerWaalsContact C-N 3.28Å; D239-L241 PolarHBondContact O-N 2.56Å; L241-L246 HydrophobicContact CD2-CD1 4.46Å |
| 242 | S | 70.9 | Confident | 75.1 | Confident | 30 Ų | 30 | 65 Ų | 65 | 21% | 0.21 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -92.3 | -13.6 | -178.3 | 70.1 | 0 | 0 | 0 | 0 | 114.1 | H192 M238 D239 I240 R389 | H192-S242 WeakPolarHBondContact O-CA 3.27Å; H192-S242 WeakPolarHBondContact O-CB 3.46Å; M238-S242 PolarHBondContact O-N 3.47Å; D239-S242 PolarHBondContact O-N 3.03Å; D239-S242 PolarHBondContact O-OG 2.94Å; I240-S242 VanDerWaalsContact C-N 3.25Å; I240-S242 PolarHBondContact O-N 3.06Å; S242-R389 PolarHBondContact O-NH1 2.88Å |
| 243 | E | 66.3 | Low | 75.6 | Confident | 119 Ų | 119 | 65.7 Ų | 65.7 | 56% | 0.556 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -65.3 | -45.7 | -178.5 | -74.5 | -177.6 | -173.8 | 0 | 0 | 112 | D239 R389 | D239-E243 PolarHBondContact O-N 2.84Å; E243-R389 PolarHBondContact O-NH1 3.44Å |
| 244 | K | 67.3 | Low | 76.1 | Confident | 79 Ų | 79 | 60.4 Ų | 60.4 | 34% | 0.343 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -131.4 | 151.5 | -176 | -69.9 | -168.3 | 171.1 | -164.9 | 0 | 112.1 | L246 S280 L284 | K244-L246 PolarHBondContact O-N 3.44Å; K244-S280 PolarHBondContact NZ-O 2.76Å; K244-S280 VanDerWaalsContact NZ-O 3.11Å; K244-L284 HydrophobicContact CD-CD1 4.06Å; K244-L284 VanDerWaalsContact CE-CD1 3.47Å |
| 245 | P | 76.1 | Confident | 77.1 | Confident | 52 Ų | 52 | 60.1 Ų | 60.1 | 34% | 0.338 | 29% | 0.286 | S | S | . | . | trans | -59.7 | 137.6 | 169.8 | -16.9 | 30.2 | 0 | 0 | 0 | 110.1 | L194 F277 | L194-P245 HydrophobicContact CB-CB 4.23Å; L194-P245 HydrophobicContact CD2-CB 4.03Å; L194-P245 HydrophobicContact CD2-CG 4.03Å; L194-P245 HydrophobicContact CG-CB 4.16Å; L194-P245 CarbonylContact O-C 3.57Å; L194-P245 VanDerWaalsContact O-CA 3.27Å; L194-P245 WeakPolarHBondContact O-CA 3.43Å; P245-F277 WeakPolarHBondContact O-CE2 3.47Å | ||
| 246 | L | 83.6 | Confident | 78.1 | Confident | 26 Ų | 26 | 53.7 Ų | 53.7 | 14% | 0.136 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 139.8 | 168.4 | -59.5 | 174.8 | 0 | 0 | 0 | 108.4 | I193 L194 V195 K196 W222 F223 L241 K244 | I193-L246 HydrophobicContact CG2-CD1 3.99Å; L194-L246 PolarHBondContact O-N 3.21Å; V195-L246 CarbonylContact C-O 3.55Å; V195-L246 WeakPolarHBondContact CA-O 3.22Å; V195-L246 HydrophobicContact CG2-CB 4.32Å; V195-L246 HydrophobicContact CG2-CD1 4.3Å; K196-L246 PolarHBondContact N-O 3.1Å; W222-L246 HydrophobicContact CH2-CD1 4.31Å; W222-L246 HydrophobicContact CZ3-CD1 4.03Å; F223-L246 HydrophobicContact CE1-CD1 3.77Å; F223-L246 HydrophobicContact CZ-CD1 3.59Å; L241-L246 HydrophobicContact CD2-CD1 4.46Å; K244-L246 PolarHBondContact O-N 3.44Å |
| 247 | A | 86.2 | Confident | 78.8 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 5% | 0.05 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 122.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | K196 C259 F277 | K196-A247 CarbonylContact O-C 3.58Å; K196-A247 WeakPolarHBondContact O-CA 3.38Å; A247-C259 VanDerWaalsContact C-SG 3.51Å; A247-C259 HydrophobicContact CB-CB 3.83Å; A247-C259 WeakPolarHBondContact O-CB 3.32Å; A247-C259 PolarHBondContact O-N 2.78Å; A247-F277 HydrophobicContact CB-CD1 3.75Å; A247-F277 HydrophobicContact CB-CD2 3.81Å; A247-F277 HydrophobicContact CB-CE1 3.8Å; A247-F277 HydrophobicContact CB-CE2 3.88Å; A247-F277 HydrophobicContact CB-CG 3.75Å; A247-F277 HydrophobicContact CB-CZ 3.86Å |
| 248 | C | 88.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 163.7 | -177.8 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | K196 I197 I198 L256 H257 C259 | K196-C248 PolarHBondContact O-N 3.09Å; I197-C248 CarbonylContact C-O 3.57Å; I197-C248 VanDerWaalsContact CA-O 3.32Å; I197-C248 WeakPolarHBondContact CA-O 3.47Å; I198-C248 PolarHBondContact N-O 3.05Å; C248-L256 HydrophobicContact CB-CD1 3.63Å; C248-L256 HydrophobicContact CB-CD2 4.05Å; C248-L256 HydrophobicContact CB-CG 3.73Å; C248-H257 CarbonylContact C-O 3.53Å; C248-H257 WeakPolarHBondContact CA-O 3.35Å; C248-H257 WeakPolarHBondContact CB-O 3.3Å; C248-C259 PolarHBondContact N-SG 2.94Å; C248-C259 PolarHBondContact O-SG 3.31Å |
| 249 | Y | 87.6 | Confident | 79.8 | Confident | 42 Ų | 42 | 50 Ų | 50 | 17% | 0.165 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 158.9 | 172.2 | 71.1 | -80.4 | 0 | 0 | 0 | 110.7 | I198 L256 H257 A262 V268 | I198-Y249 WeakPolarHBondContact O-CB 3.42Å; Y249-L256 WeakPolarHBondContact O-CA 3.31Å; Y249-H257 HydrophobicContact CD1-CB 3.99Å; Y249-H257 HydrophobicContact CE1-CB 3.47Å; Y249-H257 VanDerWaalsContact CE1-CB 3.47Å; Y249-H257 HydrophobicContact CE2-CB 4.2Å; Y249-H257 PolarHBondContact N-O 2.76Å; Y249-H257 PolarHBondContact O-N 3.1Å; Y249-A262 HydrophobicContact CD1-CB 4.44Å; Y249-A262 HydrophobicContact CE1-CB 3.75Å; Y249-V268 HydrophobicContact CD1-CG1 3.94Å; Y249-V268 HydrophobicContact CD2-CB 4.32Å; Y249-V268 HydrophobicContact CD2-CG1 4.14Å; Y249-V268 HydrophobicContact CD2-CG2 4.04Å; Y249-V268 HydrophobicContact CG-CB 4.33Å; Y249-V268 HydrophobicContact CG-CG1 3.66Å; Y249-V268 HydrophobicContact CG-CG2 4.26Å |
| 250 | F | 86.2 | Confident | 80.4 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 4% | 0.039 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 135.8 | 172.7 | -75.3 | -67.8 | 0 | 0 | 0 | 110.5 | I197 M215 K218 W254 N255 L256 | I197-F250 HydrophobicContact CD1-CE2 4.15Å; I197-F250 HydrophobicContact CD1-CZ 4.42Å; I197-F250 HydrophobicContact CG2-CD2 3.71Å; I197-F250 HydrophobicContact CG2-CE2 3.68Å; M215-F250 HydrophobicContact CG-CZ 4.42Å; K218-F250 HydrophobicContact CB-CE1 4.14Å; K218-F250 HydrophobicContact CB-CZ 4.42Å; K218-F250 HydrophobicContact CG-CE1 4.22Å; F250-W254 HydrophobicContact CB-CE3 3.92Å; F250-W254 HydrophobicContact CB-CZ3 4.44Å; F250-W254 HydrophobicContact CD1-CB 4.45Å; F250-W254 HydrophobicContact CD1-CE3 4.21Å; F250-W254 WeakPolarHBondContact CD1-O 3.23Å; F250-W254 HydrophobicContact CD2-CE3 4Å; F250-W254 HydrophobicContact CD2-CZ3 4.15Å; F250-W254 AromaticContact CG-CE3 3.79Å; F250-W254 HydrophobicContact CG-CE3 3.79Å; F250-W254 HydrophobicContact CG-CZ3 4.35Å; F250-N255 WeakPolarHBondContact CA-O 3.34Å; F250-L256 HydrophobicContact CD1-CB 4.49Å; F250-L256 HydrophobicContact CD1-CD1 4.11Å; F250-L256 HydrophobicContact CD2-CD1 4.49Å; F250-L256 HydrophobicContact CE1-CB 4.21Å; F250-L256 HydrophobicContact CE1-CD1 3.85Å; F250-L256 HydrophobicContact CE2-CD1 4.26Å; F250-L256 HydrophobicContact CG-CD1 4.43Å; F250-L256 HydrophobicContact CZ-CD1 3.94Å |
| 251 | D | 83.5 | Confident | 81 | Confident | 32 Ų | 32 | 50.8 Ų | 50.8 | 17% | 0.171 | 25% | 0.246 | C | C | . | . | trans | -75.8 | -178 | 165.7 | 65.8 | 12.9 | 0 | 0 | 0 | 111.9 | E253 W254 N255 H257 | D251-E253 PolarHBondContact O-N 3.45Å; D251-E253 WeakPolarHBondContact OD1-CA 3.23Å; D251-E253 PolarHBondContact OD1-N 3Å; D251-W254 PolarHBondContact O-N 3.47Å; D251-W254 VanDerWaalsContact O-N 3.1Å; D251-W254 PolarHBondContact OD1-N 3.15Å; D251-N255 PolarHBondContact N-O 3.27Å; D251-N255 PolarHBondContact OD1-N 3.27Å; D251-N255 WeakPolarHBondContact OD2-CB 3.46Å; D251-N255 PolarHBondContact OD2-ND2 3.24Å; D251-H257 IonicContact OD2-CD2 3.71Å; D251-H257 IonicContact OD2-CE1 3.38Å; D251-H257 IonicContact OD2-NE2 3.83Å; D251-H257 PolarHBondContact OD2-NE2 2.82Å | ||
| 252 | E | 77.5 | Confident | 81.5 | Confident | 175 Ų | 175 | 50.5 Ų | 50.5 | 82% | 0.818 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -27.6 | 177.8 | -62.9 | -173.9 | 179.6 | 0 | 0 | 112.2 | W254 | E252-W254 VanDerWaalsContact C-N 3.35Š|
| 253 | E | 82.2 | Confident | 82.1 | Confident | 130 Ų | 130 | 53.8 Ų | 53.8 | 61% | 0.607 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 6.4 | 175.9 | -63.5 | 82.3 | -173.7 | 0 | 0 | 114.3 | D251 N255 | D251-E253 PolarHBondContact O-N 3.45Å; D251-E253 WeakPolarHBondContact OD1-CA 3.23Å; D251-E253 PolarHBondContact OD1-N 3Å; E253-N255 VanDerWaalsContact C-N 3.29Å; E253-N255 WeakPolarHBondContact CB-ND2 3.43Å; E253-N255 PolarHBondContact O-N 3.36Å |
| 254 | W | 79 | Confident | 82.9 | Confident | 53 Ų | 53 | 52.3 Ų | 52.3 | 20% | 0.201 | 26% | 0.256 | C | S | . | . | trans | 59.7 | 32 | -178.3 | -61 | 92.5 | 0 | 0 | 0 | 115.1 | Q203 I205 F210 K218 F250 D251 E252 | Q203-W254 HydrophobicContact CG-CH2 3.79Å; Q203-W254 HydrophobicContact CG-CZ2 4.11Å; Q203-W254 HydrophobicContact CG-CZ3 4.42Å; I205-W254 HydrophobicContact CG1-CH2 4.07Å; I205-W254 HydrophobicContact CG1-CZ3 4.42Å; F210-W254 HydrophobicContact CD1-CD2 4.29Å; F210-W254 AromaticContact CD1-CE3 3.73Å; F210-W254 HydrophobicContact CD1-CE3 3.73Å; F210-W254 HydrophobicContact CD1-CH2 4.35Å; F210-W254 AromaticContact CD1-CZ3 3.75Å; F210-W254 HydrophobicContact CD1-CZ3 3.75Å; F210-W254 HydrophobicContact CD2-CH2 4.08Å; F210-W254 HydrophobicContact CD2-CZ2 4.31Å; F210-W254 HydrophobicContact CD2-CZ3 4.31Å; F210-W254 HydrophobicContact CE1-CB 4.07Å; F210-W254 AromaticContact CE1-CD2 3.22Å; F210-W254 HydrophobicContact CE1-CD2 3.22Å; F210-W254 AromaticContact CE1-CE2 3.84Å; F210-W254 AromaticContact CE1-CE3 3.04Å; F210-W254 HydrophobicContact CE1-CE3 3.04Å; F210-W254 AromaticContact CE1-CG 3.7Å; F210-W254 HydrophobicContact CE1-CG 3.7Å; F210-W254 HydrophobicContact CE1-CH2 4.04Å; F210-W254 HydrophobicContact CE1-CZ2 4.22Å; F210-W254 AromaticContact CE1-CZ3 3.48Å; F210-W254 HydrophobicContact CE1-CZ3 3.48Å; F210-W254 VanDerWaalsContact CE1-CZ3 3.48Å; F210-W254 AromaticContact CE2-CD2 3.96Å; F210-W254 HydrophobicContact CE2-CD2 3.96Å; F210-W254 AromaticContact CE2-CE2 3.65Å; F210-W254 HydrophobicContact CE2-CE3 4.18Å; F210-W254 AromaticContact CE2-CH2 3.75Å; F210-W254 HydrophobicContact CE2-CH2 3.75Å; F210-W254 AromaticContact CE2-CZ2 3.55Å; F210-W254 HydrophobicContact CE2-CZ2 3.55Å; F210-W254 HydrophobicContact CE2-CZ3 4.07Å; F210-W254 HydrophobicContact CG-CH2 4.4Å; F210-W254 HydrophobicContact CG-CZ3 4.19Å; F210-W254 HydrophobicContact CZ-CB 4.23Å; F210-W254 AromaticContact CZ-CD1 3.84Å; F210-W254 AromaticContact CZ-CD2 3.03Å; F210-W254 HydrophobicContact CZ-CD2 3.03Å; F210-W254 AromaticContact CZ-CE2 3.15Å; F210-W254 AromaticContact CZ-CE3 3.35Å; F210-W254 HydrophobicContact CZ-CE3 3.35Å; F210-W254 AromaticContact CZ-CG 3.47Å; F210-W254 HydrophobicContact CZ-CG 3.47Å; F210-W254 VanDerWaalsContact CZ-CG 3.47Å; F210-W254 AromaticContact CZ-CH2 3.77Å; F210-W254 HydrophobicContact CZ-CH2 3.77Å; F210-W254 AromaticContact CZ-CZ2 3.54Å; F210-W254 HydrophobicContact CZ-CZ2 3.54Å; F210-W254 AromaticContact CZ-CZ3 3.69Å; F210-W254 HydrophobicContact CZ-CZ3 3.69Å; F210-W254 AromaticContact CZ-NE1 3.67Å; K218-W254 WeakPolarHBondContact CE-O 3.22Å; F250-W254 HydrophobicContact CB-CE3 3.92Å; F250-W254 HydrophobicContact CB-CZ3 4.44Å; F250-W254 HydrophobicContact CD1-CB 4.45Å; F250-W254 HydrophobicContact CD1-CE3 4.21Å; F250-W254 WeakPolarHBondContact CD1-O 3.23Å; F250-W254 HydrophobicContact CD2-CE3 4Å; F250-W254 HydrophobicContact CD2-CZ3 4.15Å; F250-W254 AromaticContact CG-CE3 3.79Å; F250-W254 HydrophobicContact CG-CE3 3.79Å; F250-W254 HydrophobicContact CG-CZ3 4.35Å; D251-W254 PolarHBondContact O-N 3.47Å; D251-W254 VanDerWaalsContact O-N 3.1Å; D251-W254 PolarHBondContact OD1-N 3.15Å; E252-W254 VanDerWaalsContact C-N 3.35Å | ||
| 255 | N | 85.5 | Confident | 83.5 | Confident | 66 Ų | 66 | 54.3 Ų | 54.3 | 35% | 0.353 | 28% | 0.275 | S | S | . | . | trans | -89.8 | 142.2 | 165.1 | -51.6 | -65.5 | 0 | 0 | 0 | 110.2 | F250 D251 E253 H257 | F250-N255 WeakPolarHBondContact CA-O 3.34Å; D251-N255 PolarHBondContact N-O 3.27Å; D251-N255 PolarHBondContact OD1-N 3.27Å; D251-N255 WeakPolarHBondContact OD2-CB 3.46Å; D251-N255 PolarHBondContact OD2-ND2 3.24Å; E253-N255 VanDerWaalsContact C-N 3.29Å; E253-N255 WeakPolarHBondContact CB-ND2 3.43Å; E253-N255 PolarHBondContact O-N 3.36Å; N255-H257 PolarHBondContact O-CD2 3.2Å; N255-H257 VanDerWaalsContact O-CD2 3.28Å | ||
| 256 | L | 88.7 | Confident | 83.8 | Confident | 14 Ų | 14 | 53.5 Ų | 53.5 | 7% | 0.073 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 130.1 | -178 | -163.3 | 72.2 | 0 | 0 | 0 | 109.7 | I197 L219 W222 C248 Y249 F250 | I197-L256 HydrophobicContact CD1-CD1 4.16Å; I197-L256 HydrophobicContact CG1-CD1 4.27Å; I197-L256 HydrophobicContact CG2-CD1 4.39Å; L219-L256 HydrophobicContact CB-CD2 4.34Å; L219-L256 HydrophobicContact CD1-CD2 3.67Å; W222-L256 HydrophobicContact CB-CB 4.24Å; W222-L256 HydrophobicContact CB-CD2 3.98Å; W222-L256 HydrophobicContact CD2-CD2 4.35Å; W222-L256 HydrophobicContact CG-CB 4.37Å; W222-L256 HydrophobicContact CG-CD2 4.04Å; W222-L256 HydrophobicContact CG-CG 4.44Å; C248-L256 HydrophobicContact CB-CD1 3.63Å; C248-L256 HydrophobicContact CB-CD2 4.05Å; C248-L256 HydrophobicContact CB-CG 3.73Å; Y249-L256 WeakPolarHBondContact O-CA 3.31Å; F250-L256 HydrophobicContact CD1-CB 4.49Å; F250-L256 HydrophobicContact CD1-CD1 4.11Å; F250-L256 HydrophobicContact CD2-CD1 4.49Å; F250-L256 HydrophobicContact CE1-CB 4.21Å; F250-L256 HydrophobicContact CE1-CD1 3.85Å; F250-L256 HydrophobicContact CE2-CD1 4.26Å; F250-L256 HydrophobicContact CG-CD1 4.43Å; F250-L256 HydrophobicContact CZ-CD1 3.94Å |
| 257 | H | 86.8 | Confident | 83.5 | Confident | 58 Ų | 58 | 54.3 Ų | 54.3 | 27% | 0.269 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 155.3 | 178.7 | -66.5 | -79.3 | 0 | 0 | 0 | 111.2 | C248 Y249 D251 N255 | C248-H257 CarbonylContact C-O 3.53Å; C248-H257 WeakPolarHBondContact CA-O 3.35Å; C248-H257 WeakPolarHBondContact CB-O 3.3Å; Y249-H257 HydrophobicContact CD1-CB 3.99Å; Y249-H257 HydrophobicContact CE1-CB 3.47Å; Y249-H257 VanDerWaalsContact CE1-CB 3.47Å; Y249-H257 HydrophobicContact CE2-CB 4.2Å; Y249-H257 PolarHBondContact N-O 2.76Å; Y249-H257 PolarHBondContact O-N 3.1Å; D251-H257 IonicContact OD2-CD2 3.71Å; D251-H257 IonicContact OD2-CE1 3.38Å; D251-H257 IonicContact OD2-NE2 3.83Å; D251-H257 PolarHBondContact OD2-NE2 2.82Å; N255-H257 PolarHBondContact O-CD2 3.2Å; N255-H257 VanDerWaalsContact O-CD2 3.28Å |
| 258 | D | 86.1 | Confident | 83.1 | Confident | 22 Ų | 22 | 54.1 Ų | 54.1 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 127.8 | 175.8 | -165.9 | -42.2 | 0 | 0 | 0 | 110.2 | W222 F260 E261 | W222-D258 HydrophobicContact CZ2-CB 4.18Å; D258-F260 PolarHBondContact O-N 3.46Å; D258-F260 VanDerWaalsContact O-N 3.17Å; D258-F260 WeakPolarHBondContact OD1-CB 3.47Å; D258-F260 PolarHBondContact OD1-N 2.73Å; D258-E261 HydrophobicContact CB-CG 4.39Å; D258-E261 PolarHBondContact O-N 3.28Å |
| 259 | C | 84.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -61.9 | -22.1 | 177.4 | -72.7 | 0 | 0 | 0 | 0 | 113.2 | A247 C248 E261 A262 V274 F277 K278 | A247-C259 VanDerWaalsContact C-SG 3.51Å; A247-C259 HydrophobicContact CB-CB 3.83Å; A247-C259 WeakPolarHBondContact O-CB 3.32Å; A247-C259 PolarHBondContact O-N 2.78Å; C248-C259 PolarHBondContact N-SG 2.94Å; C248-C259 PolarHBondContact O-SG 3.31Å; C259-E261 PolarHBondContact O-N 3.2Å; C259-A262 WeakPolarHBondContact O-CB 3.41Å; C259-A262 PolarHBondContact O-N 3.32Å; C259-V274 HydrophobicContact CB-CG1 4.02Å; C259-V274 HydrophobicContact CB-CG2 4Å; C259-V274 WeakPolarHBondContact O-CG1 3.46Å; C259-F277 HydrophobicContact CB-CD1 4.42Å; C259-K278 WeakPolarHBondContact O-CE 3.1Å |
| 260 | F | 81.1 | Confident | 82.2 | Confident | 43 Ų | 43 | 55.2 Ų | 55.2 | 19% | 0.189 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -63.9 | -30.6 | 173.7 | -166.4 | -94.7 | 0 | 0 | 0 | 112.1 | D258 F277 K278 Q282 Y285 | D258-F260 PolarHBondContact O-N 3.46Å; D258-F260 VanDerWaalsContact O-N 3.17Å; D258-F260 WeakPolarHBondContact OD1-CB 3.47Å; D258-F260 PolarHBondContact OD1-N 2.73Å; F260-F277 HydrophobicContact CB-CE1 4.34Å; F260-K278 HydrophobicContact CD2-CG 4.15Å; F260-K278 WeakPolarHBondContact O-CE 3.19Å; F260-Q282 HydrophobicContact CE2-CG 4.32Å; F260-Y285 HydrophobicContact CE2-CD2 4.19Å; F260-Y285 HydrophobicContact CZ-CD2 4.13Å |
| 261 | E | 81.6 | Confident | 81.8 | Confident | 101 Ų | 101 | 55 Ų | 55 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -90.2 | -7.2 | -178.8 | -65 | 172.8 | -177.1 | 0 | 0 | 113 | R226 D258 C259 | R226-E261 IonicContact CZ-OE1 3.86Å; R226-E261 IonicContact CZ-OE2 3.71Å; R226-E261 IonicContact NH1-OE1 2.7Å; R226-E261 PolarHBondContact NH1-OE1 3.31Å; R226-E261 IonicContact NH1-OE2 3.24Å; R226-E261 IonicContact NH2-OE1 3.86Å; R226-E261 PolarHBondContact NH2-OE1 2.7Å; R226-E261 IonicContact NH2-OE2 2.68Å; R226-E261 PolarHBondContact NH2-OE2 2.92Å; D258-E261 HydrophobicContact CB-CG 4.39Å; D258-E261 PolarHBondContact O-N 3.28Å; C259-E261 PolarHBondContact O-N 3.2Å |
| 262 | A | 82.5 | Confident | 81.4 | Confident | 4 Ų | 4 | 60 Ų | 60 | 3% | 0.033 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -62.1 | 137.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y249 C259 D264 K278 | Y249-A262 HydrophobicContact CD1-CB 4.44Å; Y249-A262 HydrophobicContact CE1-CB 3.75Å; C259-A262 WeakPolarHBondContact O-CB 3.41Å; C259-A262 PolarHBondContact O-N 3.32Å; A262-D264 PolarHBondContact O-N 2.88Å; A262-K278 PolarHBondContact O-NZ 3.43Å |
| 263 | D | 83.4 | Confident | 81.2 | Confident | 98 Ų | 98 | 54.3 Ų | 54.3 | 52% | 0.524 | 29% | 0.291 | S | S | . | . | trans | -63.2 | 127.1 | 172.6 | -176.9 | -12 | 0 | 0 | 0 | 110 | T265 S266 G269 | D263-T265 PolarHBondContact O-N 3.34Å; D263-T265 PolarHBondContact OD1-N 2.9Å; D263-T265 PolarHBondContact OD1-OG1 2.9Å; D263-T265 PolarHBondContact OD2-OG1 3.49Å; D263-S266 WeakPolarHBondContact O-CB 3.48Å; D263-S266 PolarHBondContact O-N 3.2Å; D263-S266 PolarHBondContact O-OG 3.4Å; D263-G269 WeakPolarHBondContact O-CA 3.42Å | ||
| 264 | D | 83.1 | Confident | 80.9 | Confident | 89 Ų | 89 | 48.1 Ų | 48.1 | 48% | 0.476 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -18.8 | 179 | -69.8 | -26.8 | 0 | 0 | 0 | 113.1 | A262 Q275 K278 | A262-D264 PolarHBondContact O-N 2.88Å; D264-Q275 PolarHBondContact OD1-NE2 3.45Å; D264-K278 IonicContact OD1-NZ 3.54Å; D264-K278 PolarHBondContact OD1-NZ 3.13Å |
| 265 | T | 79.7 | Confident | 81 | Confident | 120 Ų | 120 | 47.7 Ų | 47.7 | 74% | 0.736 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -13.7 | 174.9 | 71.3 | 0 | 0 | 0 | 0 | 114 | D263 | D263-T265 PolarHBondContact O-N 3.34Å; D263-T265 PolarHBondContact OD1-N 2.9Å; D263-T265 PolarHBondContact OD1-OG1 2.9Å; D263-T265 PolarHBondContact OD2-OG1 3.49Å |
| 266 | S | 81.1 | Confident | 80.3 | Confident | 36 Ų | 36 | 50.4 Ų | 50.4 | 25% | 0.252 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -74.2 | 157.6 | 175.6 | 70.5 | 0 | 0 | 0 | 0 | 111.3 | D263 V268 G269 S270 | D263-S266 WeakPolarHBondContact O-CB 3.48Å; D263-S266 PolarHBondContact O-N 3.2Å; D263-S266 PolarHBondContact O-OG 3.4Å; S266-V268 VanDerWaalsContact C-N 3.32Å; S266-V268 PolarHBondContact O-N 3.03Å; S266-G269 PolarHBondContact O-N 3.03Å; S266-G269 PolarHBondContact OG-N 3.31Å; S266-S270 VanDerWaalsContact O-CB 3.25Å; S266-S270 WeakPolarHBondContact O-CB 3.25Å; S266-S270 PolarHBondContact O-N 3.47Å; S266-S270 PolarHBondContact O-OG 3.41Å |
| 267 | S | 77.5 | Confident | 79.6 | Confident | 42 Ų | 42 | 51.4 Ų | 51.4 | 29% | 0.294 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -43.5 | 173.2 | 33.2 | 0 | 0 | 0 | 0 | 112.4 | D200 S270 C271 H361 | D200-S267 VanDerWaalsContact CG-OG 3.26Å; D200-S267 WeakPolarHBondContact OD1-CB 3.23Å; D200-S267 PolarHBondContact OD1-OG 2.87Å; D200-S267 PolarHBondContact OD2-OG 3.1Å; S267-S270 PolarHBondContact O-OG 2.96Å; S267-C271 PolarHBondContact O-N 3.44Å; S267-H361 PolarHBondContact O-CD2 2.75Å; S267-H361 PolarHBondContact O-NE2 2.94Å; S267-H361 VanDerWaalsContact O-NE2 3.13Å |
| 268 | V | 78.9 | Confident | 79.2 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -48.3 | 174.9 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | I198 D200 Y249 S266 S270 C271 V274 | I198-V268 HydrophobicContact CG2-CG1 4.48Å; D200-V268 HydrophobicContact CB-CG2 4.06Å; Y249-V268 HydrophobicContact CD1-CG1 3.94Å; Y249-V268 HydrophobicContact CD2-CB 4.32Å; Y249-V268 HydrophobicContact CD2-CG1 4.14Å; Y249-V268 HydrophobicContact CD2-CG2 4.04Å; Y249-V268 HydrophobicContact CG-CB 4.33Å; Y249-V268 HydrophobicContact CG-CG1 3.66Å; Y249-V268 HydrophobicContact CG-CG2 4.26Å; S266-V268 VanDerWaalsContact C-N 3.32Å; S266-V268 PolarHBondContact O-N 3.03Å; V268-S270 VanDerWaalsContact C-N 3.33Å; V268-S270 PolarHBondContact O-N 2.97Å; V268-C271 WeakPolarHBondContact O-CB 3.06Å; V268-C271 PolarHBondContact O-N 3.25Å; V268-C271 VanDerWaalsContact O-N 3.1Å; V268-V274 HydrophobicContact CG1-CG2 4.02Å; V268-V274 WeakPolarHBondContact O-CB 3.22Å; V268-V274 WeakPolarHBondContact O-CG2 3.12Å |
| 269 | G | 78.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -33.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.4 | D263 S266 C271 Q275 | D263-G269 WeakPolarHBondContact O-CA 3.42Å; S266-G269 PolarHBondContact O-N 3.03Å; S266-G269 PolarHBondContact OG-N 3.31Å; G269-C271 VanDerWaalsContact C-N 3.26Å; G269-C271 PolarHBondContact O-N 2.76Å; G269-Q275 PolarHBondContact O-NE2 2.83Å |
| 270 | S | 79.6 | Confident | 77.5 | Confident | 64 Ų | 64 | 59.2 Ų | 59.2 | 45% | 0.448 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -7.2 | 174.6 | 61.5 | 0 | 0 | 0 | 0 | 114 | S266 S267 V268 D272 | S266-S270 VanDerWaalsContact O-CB 3.25Å; S266-S270 WeakPolarHBondContact O-CB 3.25Å; S266-S270 PolarHBondContact O-N 3.47Å; S266-S270 PolarHBondContact O-OG 3.41Å; S267-S270 PolarHBondContact O-OG 2.96Å; V268-S270 VanDerWaalsContact C-N 3.33Å; V268-S270 PolarHBondContact O-N 2.97Å; S270-D272 PolarHBondContact O-N 3.2Å |
| 271 | C | 76.8 | Confident | 76.6 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 3% | 0.027 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -62.9 | 132.7 | 177.1 | -173.6 | 0 | 0 | 0 | 0 | 111 | S267 V268 G269 L273 V274 Q275 | S267-C271 PolarHBondContact O-N 3.44Å; V268-C271 WeakPolarHBondContact O-CB 3.06Å; V268-C271 PolarHBondContact O-N 3.25Å; V268-C271 VanDerWaalsContact O-N 3.1Å; G269-C271 VanDerWaalsContact C-N 3.26Å; G269-C271 PolarHBondContact O-N 2.76Å; C271-L273 PolarHBondContact O-N 2.9Å; C271-L273 VanDerWaalsContact O-N 3.14Å; C271-V274 HydrophobicContact CB-CB 4.38Å; C271-V274 HydrophobicContact CB-CG2 4.18Å; C271-V274 PolarHBondContact O-N 3.2Å; C271-Q275 PolarHBondContact O-N 2.75Å |
| 272 | D | 76.2 | Confident | 75.2 | Confident | 137 Ų | 137 | 58.3 Ų | 58.3 | 73% | 0.733 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -54 | -37.2 | -179.7 | -71.2 | -29.3 | 0 | 0 | 0 | 112.4 | S270 Q275 E276 | S270-D272 PolarHBondContact O-N 3.2Å; D272-Q275 PolarHBondContact O-N 3.44Å; D272-E276 VanDerWaalsContact O-CB 3.31Å; D272-E276 WeakPolarHBondContact O-CB 3.25Å; D272-E276 PolarHBondContact O-N 2.85Å |
| 273 | L | 71.8 | Confident | 73.2 | Confident | 57 Ų | 57 | 67.2 Ų | 67.2 | 30% | 0.298 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.1 | -39.8 | 177.4 | -68.2 | 172.9 | 0 | 0 | 0 | 112.5 | I198 C271 F277 V359 A364 | I198-L273 HydrophobicContact CD1-CB 4.32Å; C271-L273 PolarHBondContact O-N 2.9Å; C271-L273 VanDerWaalsContact O-N 3.14Å; L273-F277 VanDerWaalsContact O-CB 3.23Å; L273-F277 WeakPolarHBondContact O-CB 3.2Å; L273-F277 PolarHBondContact O-N 3.32Å; L273-V359 HydrophobicContact CD1-CG1 3.64Å; L273-A364 HydrophobicContact CD1-CB 4.07Å; L273-A364 HydrophobicContact CG-CB 4.45Å |
| 274 | V | 77.1 | Confident | 70.8 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.9 | -40.8 | 176.8 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | I198 C259 V268 C271 F277 K278 | I198-V274 HydrophobicContact CD1-CG2 3.38Å; C259-V274 HydrophobicContact CB-CG1 4.02Å; C259-V274 HydrophobicContact CB-CG2 4Å; C259-V274 WeakPolarHBondContact O-CG1 3.46Å; V268-V274 HydrophobicContact CG1-CG2 4.02Å; V268-V274 WeakPolarHBondContact O-CB 3.22Å; V268-V274 WeakPolarHBondContact O-CG2 3.12Å; C271-V274 HydrophobicContact CB-CB 4.38Å; C271-V274 HydrophobicContact CB-CG2 4.18Å; C271-V274 PolarHBondContact O-N 3.2Å; V274-F277 WeakPolarHBondContact O-CB 2.7Å; V274-F277 PolarHBondContact O-N 3.22Å; V274-K278 HydrophobicContact CG1-CD 4.25Å; V274-K278 HydrophobicContact CG1-CG 4.37Å; V274-K278 WeakPolarHBondContact O-CB 2.98Å; V274-K278 VanDerWaalsContact O-CG 3.31Å; V274-K278 WeakPolarHBondContact O-CG 3.39Å; V274-K278 PolarHBondContact O-N 2.92Å |
| 275 | Q | 79.5 | Confident | 68.5 | Low | 43 Ų | 43 | 66.7 Ų | 66.7 | 20% | 0.201 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 176.2 | -69.8 | -62.8 | -37.2 | 0 | 0 | 112 | D264 G269 C271 D272 R279 | D264-Q275 PolarHBondContact OD1-NE2 3.45Å; G269-Q275 PolarHBondContact O-NE2 2.83Å; C271-Q275 PolarHBondContact O-N 2.75Å; D272-Q275 PolarHBondContact O-N 3.44Å; Q275-R279 WeakPolarHBondContact O-CG 3.49Å; Q275-R279 PolarHBondContact O-N 3.43Å |
| 276 | E | 72.3 | Confident | 66 | Low | 124 Ų | 124 | 65.4 Ų | 65.4 | 58% | 0.579 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.5 | -45 | 173.1 | -173.4 | 176.3 | -169.5 | 0 | 0 | 111.4 | D272 R279 S280 | D272-E276 VanDerWaalsContact O-CB 3.31Å; D272-E276 WeakPolarHBondContact O-CB 3.25Å; D272-E276 PolarHBondContact O-N 2.85Å; E276-R279 PolarHBondContact O-N 2.98Å; E276-S280 WeakPolarHBondContact O-CB 3.45Å; E276-S280 PolarHBondContact O-N 2.9Å |
| 277 | F | 73.9 | Confident | 63.5 | Low | 34 Ų | 34 | 69.4 Ų | 69.4 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -55.1 | -55.9 | 174.1 | 178.4 | -104.5 | 0 | 0 | 0 | 110.7 | P245 A247 C259 F260 L273 V274 R279 S280 T281 | P245-F277 WeakPolarHBondContact O-CE2 3.47Å; A247-F277 HydrophobicContact CB-CD1 3.75Å; A247-F277 HydrophobicContact CB-CD2 3.81Å; A247-F277 HydrophobicContact CB-CE1 3.8Å; A247-F277 HydrophobicContact CB-CE2 3.88Å; A247-F277 HydrophobicContact CB-CG 3.75Å; A247-F277 HydrophobicContact CB-CZ 3.86Å; C259-F277 HydrophobicContact CB-CD1 4.42Å; F260-F277 HydrophobicContact CB-CE1 4.34Å; L273-F277 VanDerWaalsContact O-CB 3.23Å; L273-F277 WeakPolarHBondContact O-CB 3.2Å; L273-F277 PolarHBondContact O-N 3.32Å; V274-F277 WeakPolarHBondContact O-CB 2.7Å; V274-F277 PolarHBondContact O-N 3.22Å; F277-R279 VanDerWaalsContact C-N 3.3Å; F277-R279 PolarHBondContact O-N 3.3Å; F277-S280 WeakPolarHBondContact O-CB 3.14Å; F277-S280 PolarHBondContact O-N 3.16Å; F277-S280 PolarHBondContact O-OG 2.89Å; F277-T281 PolarHBondContact O-N 3.38Å; F277-T281 PolarHBondContact O-OG1 3.44Å |
| 278 | K | 77.3 | Confident | 61.1 | Low | 18 Ų | 18 | 72.9 Ų | 72.9 | 8% | 0.078 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -52.1 | -44.8 | 177.4 | -75.4 | -178.9 | 179.8 | -168.2 | 0 | 112.2 | C259 F260 A262 D264 V274 T281 Q282 | C259-K278 WeakPolarHBondContact O-CE 3.1Å; F260-K278 HydrophobicContact CD2-CG 4.15Å; F260-K278 WeakPolarHBondContact O-CE 3.19Å; A262-K278 PolarHBondContact O-NZ 3.43Å; D264-K278 IonicContact OD1-NZ 3.54Å; D264-K278 PolarHBondContact OD1-NZ 3.13Å; V274-K278 HydrophobicContact CG1-CD 4.25Å; V274-K278 HydrophobicContact CG1-CG 4.37Å; V274-K278 WeakPolarHBondContact O-CB 2.98Å; V274-K278 VanDerWaalsContact O-CG 3.31Å; V274-K278 WeakPolarHBondContact O-CG 3.39Å; V274-K278 PolarHBondContact O-N 2.92Å; K278-T281 PolarHBondContact O-N 3.45Å; K278-Q282 WeakPolarHBondContact O-CB 3.31Å; K278-Q282 VanDerWaalsContact O-CG 3.3Å; K278-Q282 WeakPolarHBondContact O-CG 3.42Å; K278-Q282 PolarHBondContact O-N 2.91Å |
| 279 | R | 72.2 | Confident | 58.7 | Low | 170 Ų | 170 | 80.3 Ų | 80.3 | 64% | 0.642 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.6 | -39.1 | 176.7 | -71.2 | 170.2 | -168.4 | 175.7 | 6.5 | 112.7 | Q275 E276 F277 T281 | Q275-R279 WeakPolarHBondContact O-CG 3.49Å; Q275-R279 PolarHBondContact O-N 3.43Å; E276-R279 PolarHBondContact O-N 2.98Å; F277-R279 VanDerWaalsContact C-N 3.3Å; F277-R279 PolarHBondContact O-N 3.3Å; R279-T281 VanDerWaalsContact C-N 3.32Å; R279-T281 PolarHBondContact O-N 3.15Å |
| 280 | S | 63.2 | Low | 56.4 | Low | 57 Ų | 57 | 84.2 Ų | 84.2 | 40% | 0.399 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70.2 | -28.2 | -179.7 | 84.8 | 0 | 0 | 0 | 0 | 113 | K244 E276 F277 | K244-S280 PolarHBondContact NZ-O 2.76Å; K244-S280 VanDerWaalsContact NZ-O 3.11Å; E276-S280 WeakPolarHBondContact O-CB 3.45Å; E276-S280 PolarHBondContact O-N 2.9Å; F277-S280 WeakPolarHBondContact O-CB 3.14Å; F277-S280 PolarHBondContact O-N 3.16Å; F277-S280 PolarHBondContact O-OG 2.89Å |
| 281 | T | 62.6 | Low | 53.8 | Low | 12 Ų | 12 | 91 Ų | 91 | 7% | 0.074 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -96.8 | -25.5 | -178.3 | -19.8 | 0 | 0 | 0 | 0 | 112.4 | F277 K278 R279 K283 L284 Y285 | F277-T281 PolarHBondContact O-N 3.38Å; F277-T281 PolarHBondContact O-OG1 3.44Å; K278-T281 PolarHBondContact O-N 3.45Å; R279-T281 VanDerWaalsContact C-N 3.32Å; R279-T281 PolarHBondContact O-N 3.15Å; T281-K283 PolarHBondContact O-N 3.31Å; T281-L284 WeakPolarHBondContact O-CB 3.11Å; T281-L284 PolarHBondContact O-N 3.16Å; T281-Y285 HydrophobicContact CG2-CD2 4.11Å; T281-Y285 HydrophobicContact CG2-CE2 3.41Å; T281-Y285 VanDerWaalsContact CG2-CE2 3.41Å; T281-Y285 WeakPolarHBondContact O-CD2 2.72Å |
| 282 | Q | 52.9 | Low | 51.5 | Low | 113 Ų | 113 | 94.5 Ų | 94.5 | 53% | 0.528 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -55.9 | -31.7 | 175 | -93.9 | 174 | -7.6 | 0 | 0 | 114.1 | F260 K278 L284 Y285 C286 | F260-Q282 HydrophobicContact CE2-CG 4.32Å; K278-Q282 WeakPolarHBondContact O-CB 3.31Å; K278-Q282 VanDerWaalsContact O-CG 3.3Å; K278-Q282 WeakPolarHBondContact O-CG 3.42Å; K278-Q282 PolarHBondContact O-N 2.91Å; Q282-L284 PolarHBondContact O-N 2.94Å; Q282-Y285 PolarHBondContact O-N 3.02Å; Q282-C286 PolarHBondContact O-N 2.78Å |
| 283 | K | 39 | Very low | 49.1 | Very low | 190 Ų | 190 | 95.2 Ų | 95.2 | 83% | 0.826 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.4 | -16.6 | 175 | -77.2 | -174.6 | 177.4 | 179.9 | 0 | 114.2 | T281 | T281-K283 PolarHBondContact O-N 3.31Å |
| 284 | L | 34.9 | Very low | 46.9 | Very low | 105 Ų | 105 | 98.8 Ų | 98.8 | 55% | 0.55 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -94.8 | -23 | 175.4 | -78.8 | 133.8 | 0 | 0 | 0 | 113.2 | K244 T281 Q282 | K244-L284 HydrophobicContact CD-CD1 4.06Å; K244-L284 VanDerWaalsContact CE-CD1 3.47Å; T281-L284 WeakPolarHBondContact O-CB 3.11Å; T281-L284 PolarHBondContact O-N 3.16Å; Q282-L284 PolarHBondContact O-N 2.94Å |
| 285 | Y | 33.2 | Very low | 44.5 | Very low | 72 Ų | 72 | 103 Ų | 103 | 28% | 0.282 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -98.7 | -14.5 | -172 | -67.4 | -60.5 | 0 | 0 | 0 | 115.1 | F260 T281 Q282 G299 | F260-Y285 HydrophobicContact CE2-CD2 4.19Å; F260-Y285 HydrophobicContact CZ-CD2 4.13Å; T281-Y285 HydrophobicContact CG2-CD2 4.11Å; T281-Y285 HydrophobicContact CG2-CE2 3.41Å; T281-Y285 VanDerWaalsContact CG2-CE2 3.41Å; T281-Y285 WeakPolarHBondContact O-CD2 2.72Å; Q282-Y285 PolarHBondContact O-N 3.02Å; Y285-G299 WeakPolarHBondContact CD1-O 3.32Å; Y285-G299 WeakPolarHBondContact CE1-O 3.21Å |
| 286 | C | 27.2 | Very low | 41.9 | Very low | 93 Ų | 93 | 108.4 Ų | 108.4 | 63% | 0.628 | 62% | 0.618 | S | S | * | * | trans | -137 | 105.1 | 174.7 | -71.6 | 0 | 0 | 0 | 0 | 111.2 | Q282 | Q282-C286 PolarHBondContact O-N 2.78Š| ||
| 287 | P | 28.5 | Very low | 39.9 | Very low | 120 Ų | 120 | 107.8 Ų | 107.8 | 78% | 0.779 | 63% | 0.627 | S | S | * | * | trans | -69.8 | 130 | 164.7 | -2.8 | 19.1 | 0 | 0 | 0 | 108.3 | N289 | P287-N289 PolarHBondContact O-N 3.13Š| ||
| 288 | S | 27.6 | Very low | 38 | Very low | 115 Ų | 115 | 110.8 Ų | 110.8 | 80% | 0.804 | 65% | 0.645 | S | S | * | * | trans | -58.9 | 108.2 | 177.5 | 51.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 289 | N | 29.3 | Very low | 35.8 | Very low | 159 Ų | 159 | 111 Ų | 111 | 85% | 0.85 | 65% | 0.652 | S | S | * | * | trans | -156.9 | 121.4 | 158.9 | -90.6 | -23.5 | 0 | 0 | 0 | 110.2 | P287 | P287-N289 PolarHBondContact O-N 3.13Š| ||
| 290 | G | 28.8 | Very low | 34 | Very low | 81 Ų | 81 | 107.5 Ų | 107.5 | 84% | 0.835 | 64% | 0.639 | S | S | * | * | trans | 79.9 | 120.2 | 148.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 291 | E | 26.5 | Very low | 32.8 | Very low | 206 Ų | 206 | 110.8 Ų | 110.8 | 96% | 0.963 | 65% | 0.646 | S | S | * | * | trans | -46.5 | 132.4 | 168.7 | -61.1 | 167 | 152.6 | 0 | 0 | 113.2 | ||||
| 292 | G | 27.6 | Very low | 31.2 | Very low | 79 Ų | 79 | 115.8 Ų | 115.8 | 81% | 0.814 | 67% | 0.672 | S | S | * | * | trans | 164.5 | 94.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 293 | N | 26.1 | Very low | 30.1 | Very low | 151 Ų | 151 | 116.2 Ų | 116.2 | 81% | 0.807 | 69% | 0.686 | S | S | * | * | trans | -7 | 133.2 | 163.4 | -73.3 | -25.3 | 0 | 0 | 0 | 121 | ||||
| 294 | T | 25.7 | Very low | 29.6 | Very low | 132 Ų | 132 | 114.4 Ų | 114.4 | 81% | 0.81 | 68% | 0.681 | S | S | * | * | trans | 69.1 | 126.7 | 140.2 | 56.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 295 | A | 25.9 | Very low | 29.2 | Very low | 89 Ų | 89 | 117.4 Ų | 117.4 | 74% | 0.736 | 70% | 0.697 | S | S | * | * | trans | 98.7 | 121.4 | 148.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 296 | N | 26 | Very low | 29 | Very low | 157 Ų | 157 | 119.1 Ų | 119.1 | 84% | 0.84 | 73% | 0.726 | S | S | * | * | trans | 73.7 | 80.3 | 153.6 | -64.8 | -8.4 | 0 | 0 | 0 | 119.2 | N298 | N296-N298 PolarHBondContact O-N 3.36Š| ||
| 297 | S | 29.3 | Very low | 28.9 | Very low | 111 Ų | 111 | 119.8 Ų | 119.8 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -84.9 | 87.4 | 172 | 55.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 298 | N | 34.4 | Very low | 28.9 | Very low | 97 Ų | 97 | 119.1 Ų | 119.1 | 52% | 0.519 | 74% | 0.736 | S | S | . | * | trans | -88.5 | 99 | 160.3 | -77.2 | -31.1 | 0 | 0 | 0 | 108.6 | N296 W300 K301 | N296-N298 PolarHBondContact O-N 3.36Å; N298-W300 PolarHBondContact O-N 2.84Å; N298-K301 HydrophobicContact CB-CD 4.21Å; N298-K301 HydrophobicContact CB-CG 4.35Å; N298-K301 PolarHBondContact O-N 2.87Å; N298-K301 VanDerWaalsContact O-N 3.12Å | ||
| 299 | G | 30.5 | Very low | 28.9 | Very low | 22 Ų | 22 | 121.8 Ų | 121.8 | 23% | 0.227 | 74% | 0.742 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -66.2 | 28.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | Y285 | Y285-G299 WeakPolarHBondContact CD1-O 3.32Å; Y285-G299 WeakPolarHBondContact CE1-O 3.21Å |
| 300 | W | 35.8 | Very low | 28.8 | Very low | 97 Ų | 97 | 117.8 Ų | 117.8 | 37% | 0.367 | 74% | 0.738 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -137.9 | 0.1 | 167.6 | -126.8 | -32 | 0 | 0 | 0 | 113 | R226 N298 | R226-W300 HydrophobicContact CB-CZ3 4.24Å; R226-W300 HydrophobicContact CG-CZ3 4.28Å; N298-W300 PolarHBondContact O-N 2.84Å |
| 301 | K | 36.6 | Very low | 28.7 | Very low | 125 Ų | 125 | 122.6 Ų | 122.6 | 54% | 0.543 | 74% | 0.739 | S | S | . | * | trans | -98.4 | 0.2 | -172.8 | -72.6 | -170.6 | 176.3 | 177 | 0 | 116 | N298 C303 | N298-K301 HydrophobicContact CB-CD 4.21Å; N298-K301 HydrophobicContact CB-CG 4.35Å; N298-K301 PolarHBondContact O-N 2.87Å; N298-K301 VanDerWaalsContact O-N 3.12Å; K301-C303 PolarHBondContact O-N 2.99Å; K301-C303 VanDerWaalsContact O-N 3.15Å | ||
| 302 | N | 29.6 | Very low | 28.7 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 63% | 0.626 | 74% | 0.736 | S | S | * | * | trans | -92.3 | 63.1 | -177.7 | -77 | -9.3 | 0 | 0 | 0 | 113.4 | ||||
| 303 | C | 30.4 | Very low | 28.7 | Very low | 122 Ų | 122 | 125 Ų | 125 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | trans | -124.8 | 48.7 | 151.4 | -76.5 | 0 | 0 | 0 | 0 | 108.6 | K301 N305 | K301-C303 PolarHBondContact O-N 2.99Å; K301-C303 VanDerWaalsContact O-N 3.15Å; C303-N305 PolarHBondContact O-N 2.82Å | ||
| 304 | Q | 28.1 | Very low | 28.6 | Very low | 153 Ų | 153 | 126.2 Ų | 126.2 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | trans | -85.9 | 89.1 | 171.5 | -69.4 | -175.2 | 2 | 0 | 0 | 108.4 | ||||
| 305 | N | 27 | Very low | 28.8 | Very low | 168 Ų | 168 | 123 Ų | 123 | 90% | 0.898 | 72% | 0.722 | S | S | * | * | trans | 176.8 | 84.6 | 151.1 | -87.7 | -24.2 | 0 | 0 | 0 | 110.8 | C303 | C303-N305 PolarHBondContact O-N 2.82Š| ||
| 306 | A | 27.5 | Very low | 29.1 | Very low | 107 Ų | 107 | 124 Ų | 124 | 88% | 0.884 | 72% | 0.723 | S | S | * | * | trans | 176.9 | 75.2 | 147.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 307 | A | 26.3 | Very low | 29.5 | Very low | 107 Ų | 107 | 122.1 Ų | 122.1 | 88% | 0.884 | 71% | 0.713 | S | S | * | * | trans | -97.4 | 117.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 308 | S | 28.8 | Very low | 29.9 | Very low | 106 Ų | 106 | 125.5 Ų | 125.5 | 74% | 0.741 | 71% | 0.708 | S | S | * | * | trans | -155.8 | 108 | 146.6 | 61.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 309 | N | 26.8 | Very low | 30.2 | Very low | 171 Ų | 171 | 130 Ų | 130 | 91% | 0.914 | 73% | 0.727 | S | S | * | * | trans | 57.1 | 104.7 | 146.7 | -61.1 | -14.8 | 0 | 0 | 0 | 119.9 | ||||
| 310 | G | 27.9 | Very low | 31.3 | Very low | 76 Ų | 76 | 135.5 Ų | 135.5 | 78% | 0.784 | 75% | 0.746 | S | S | * | * | trans | -165.8 | 93.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y312 | G310-Y312 PolarHBondContact O-N 2.86Š| ||
| 311 | H | 25.3 | Very low | 32.3 | Very low | 181 Ų | 181 | 132.9 Ų | 132.9 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | trans | -66.8 | 115.6 | 170.3 | -82.5 | -80.8 | 0 | 0 | 0 | 110.1 | ||||
| 312 | Y | 27.4 | Very low | 33.8 | Very low | 233 Ų | 233 | 129.2 Ų | 129.2 | 91% | 0.914 | 72% | 0.724 | S | S | * | * | trans | -151.4 | 137.8 | 151.7 | -84.9 | -67.2 | 0 | 0 | 0 | 114.3 | G310 | G310-Y312 PolarHBondContact O-N 2.86Š| ||
| 313 | S | 27.8 | Very low | 36.4 | Very low | 103 Ų | 103 | 125.9 Ų | 125.9 | 72% | 0.72 | 70% | 0.703 | S | S | * | * | trans | -17.1 | 131.2 | 179.4 | 53.8 | 0 | 0 | 0 | 0 | 122.2 | S315 | S313-S315 PolarHBondContact O-N 3.47Š| ||
| 314 | N | 23.7 | Very low | 39.1 | Very low | 177 Ų | 177 | 123.6 Ų | 123.6 | 95% | 0.947 | 68% | 0.678 | S | S | * | * | trans | -56.5 | 109.5 | 149.7 | -76.3 | -20.1 | 0 | 0 | 0 | 110.3 | ||||
| 315 | S | 30.2 | Very low | 42 | Very low | 65 Ų | 65 | 117.5 Ų | 117.5 | 46% | 0.455 | 65% | 0.651 | S | S | . | * | trans | -104.6 | 143.3 | 157.4 | 84 | 0 | 0 | 0 | 0 | 109.8 | S313 D317 | S313-S315 PolarHBondContact O-N 3.47Å; S315-D317 WeakPolarHBondContact CB-OD2 3.41Å; S315-D317 PolarHBondContact O-N 3.28Å; S315-D317 VanDerWaalsContact O-N 3.13Å; S315-D317 VanDerWaalsContact OG-CG 3.27Å; S315-D317 PolarHBondContact OG-OD2 2.85Å | ||
| 316 | S | 31 | Very low | 44.9 | Very low | 109 Ų | 109 | 109.6 Ų | 109.6 | 76% | 0.762 | 61% | 0.608 | S | S | * | * | trans | -78 | 27.3 | -175.7 | 44.9 | 0 | 0 | 0 | 0 | 113.9 | W318 | S316-W318 VanDerWaalsContact C-N 3.27Å; S316-W318 PolarHBondContact O-N 3.42Å; S316-W318 VanDerWaalsContact O-N 3.15Å | ||
| 317 | D | 35.3 | Very low | 47.9 | Very low | 117 Ų | 117 | 105.2 Ų | 105.2 | 63% | 0.626 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -84.4 | 17.7 | -165.7 | -64.1 | -29.7 | 0 | 0 | 0 | 115.1 | S315 E319 | S315-D317 WeakPolarHBondContact CB-OD2 3.41Å; S315-D317 PolarHBondContact O-N 3.28Å; S315-D317 VanDerWaalsContact O-N 3.13Å; S315-D317 VanDerWaalsContact OG-CG 3.27Å; S315-D317 PolarHBondContact OG-OD2 2.85Å; D317-E319 PolarHBondContact O-N 2.9Å |
| 318 | W | 38.1 | Very low | 50.6 | Low | 182 Ų | 182 | 101.8 Ų | 101.8 | 69% | 0.689 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -74.3 | -9.1 | -174.9 | -61.5 | 108.2 | 0 | 0 | 0 | 114.6 | S316 I321 | S316-W318 VanDerWaalsContact C-N 3.27Å; S316-W318 PolarHBondContact O-N 3.42Å; S316-W318 VanDerWaalsContact O-N 3.15Å; W318-I321 HydrophobicContact CE3-CD1 3.98Å; W318-I321 HydrophobicContact CZ3-CD1 4.26Å |
| 319 | E | 41.4 | Very low | 52.7 | Low | 193 Ų | 193 | 98.9 Ų | 98.9 | 90% | 0.902 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -85.7 | -9 | -171.4 | -74.2 | -172.8 | 155.4 | 0 | 0 | 115.5 | D317 | D317-E319 PolarHBondContact O-N 2.9Š|
| 320 | E | 51.7 | Low | 54.6 | Low | 137 Ų | 137 | 93.8 Ų | 93.8 | 64% | 0.64 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -115.6 | 15 | -175.7 | -73.4 | -166 | 167.5 | 0 | 0 | 115.7 | E322 R349 | E320-E322 PolarHBondContact O-N 3.27Å; E320-R349 PolarHBondContact O-NH2 3Å |
| 321 | I | 57.6 | Low | 55.9 | Low | 42 Ų | 42 | 93.3 Ų | 93.3 | 22% | 0.215 | 46% | 0.464 | C | S | . | . | trans | -87.2 | 115.2 | -179.1 | -58.1 | 180 | 0 | 0 | 0 | 109 | W318 W323 K348 | W318-I321 HydrophobicContact CE3-CD1 3.98Å; W318-I321 HydrophobicContact CZ3-CD1 4.26Å; I321-W323 PolarHBondContact O-N 3.5Å; I321-W323 VanDerWaalsContact O-N 3.1Å; I321-K348 HydrophobicContact CG2-CB 4.14Å; I321-K348 HydrophobicContact CG2-CG 3.78Å | ||
| 322 | E | 68.9 | Low | 56.7 | Low | 47 Ų | 47 | 90.3 Ų | 90.3 | 22% | 0.22 | 45% | 0.452 | C | S | . | . | trans | -70.5 | 109.7 | -179.6 | -160.7 | 178.7 | -169.7 | 0 | 0 | 110.3 | R154 N158 E320 K324 L346 R349 | R154-E322 IonicContact CZ-OE2 2.7Å; R154-E322 IonicContact NH1-OE2 2.76Å; R154-E322 IonicContact NH2-OE1 3.48Å; R154-E322 PolarHBondContact NH2-OE1 2.92Å; R154-E322 IonicContact NH2-OE2 2.87Å; R154-E322 PolarHBondContact NH2-OE2 3.08Å; N158-E322 PolarHBondContact OD1-OE2 3.1Å; E320-E322 PolarHBondContact O-N 3.27Å; E322-K324 HydrophobicContact CG-CB 4.24Å; E322-L346 HydrophobicContact CG-CD1 4.3Å; E322-R349 HydrophobicContact CB-CG 4.36Å; E322-R349 PolarHBondContact O-N 3.04Å | ||
| 323 | W | 82.4 | Confident | 57.2 | Low | 48 Ų | 48 | 84.1 Ų | 84.1 | 18% | 0.182 | 43% | 0.434 | C | S | . | . | trans | -111.4 | 114.1 | 166.2 | -66.5 | 87.5 | 0 | 0 | 0 | 107 | L220 F223 Q224 V227 I321 L346 I347 K348 | L220-W323 HydrophobicContact CD1-CB 4.14Å; L220-W323 HydrophobicContact CD1-CE3 3.72Å; L220-W323 HydrophobicContact CD2-CB 4.02Å; L220-W323 HydrophobicContact CG-CB 4.17Å; L220-W323 HydrophobicContact CG-CE3 4.36Å; F223-W323 HydrophobicContact CB-CH2 4.47Å; F223-W323 HydrophobicContact CB-CZ3 3.82Å; Q224-W323 HydrophobicContact CG-CB 4.44Å; Q224-W323 HydrophobicContact CG-CD2 3.54Å; Q224-W323 HydrophobicContact CG-CE3 3.71Å; Q224-W323 HydrophobicContact CG-CG 3.87Å; Q224-W323 HydrophobicContact CG-CH2 4.35Å; Q224-W323 HydrophobicContact CG-CZ2 4.24Å; Q224-W323 HydrophobicContact CG-CZ3 4.08Å; V227-W323 HydrophobicContact CB-CH2 4.15Å; V227-W323 HydrophobicContact CB-CZ2 4.28Å; V227-W323 HydrophobicContact CG1-CZ2 4.32Å; V227-W323 HydrophobicContact CG2-CH2 3.72Å; V227-W323 HydrophobicContact CG2-CZ2 4.28Å; I321-W323 PolarHBondContact O-N 3.5Å; I321-W323 VanDerWaalsContact O-N 3.1Å; W323-L346 VanDerWaalsContact CA-O 3.31Å; W323-L346 WeakPolarHBondContact CA-O 3.43Å; W323-I347 HydrophobicContact CE3-CB 4.36Å; W323-I347 HydrophobicContact CE3-CG1 4.35Å; W323-I347 HydrophobicContact CE3-CG2 4.22Å; W323-I347 HydrophobicContact CH2-CG2 3.76Å; W323-I347 HydrophobicContact CZ3-CB 4.09Å; W323-I347 HydrophobicContact CZ3-CG1 4.15Å; W323-I347 HydrophobicContact CZ3-CG2 3.49Å; W323-I347 VanDerWaalsContact CZ3-CG2 3.49Å; W323-K348 HydrophobicContact CZ2-CB 4.32Å | ||
| 324 | K | 87.9 | Confident | 57.3 | Low | 73 Ų | 73 | 86.2 Ų | 86.2 | 32% | 0.317 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 147.2 | -172.1 | 178.7 | 178.1 | 177.3 | -168.2 | 0 | 111.9 | D170 E322 F345 L346 | D170-K324 IonicContact OD2-NZ 3.29Å; D170-K324 PolarHBondContact OD2-NZ 2.97Å; E322-K324 HydrophobicContact CG-CB 4.24Å; K324-F345 CarbonylContact O-C 3.53Å; K324-F345 WeakPolarHBondContact O-CA 3.32Å; K324-L346 HydrophobicContact CB-CB 4.4Å; K324-L346 HydrophobicContact CB-CD1 4.27Å; K324-L346 PolarHBondContact N-O 3.36Å; K324-L346 VanDerWaalsContact N-O 3.11Å; K324-L346 PolarHBondContact O-N 2.93Å |
| 325 | I | 88.8 | Confident | 57.7 | Low | 26 Ų | 26 | 86.1 Ų | 86.1 | 13% | 0.133 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 116.9 | 166.3 | -56 | 168.5 | 0 | 0 | 0 | 107.1 | G216 D217 F328 F345 | G216-I325 VanDerWaalsContact C-CD1 3.42Å; D217-I325 VanDerWaalsContact OD1-CD1 3.25Å; D217-I325 WeakPolarHBondContact OD1-CD1 3.43Å; I325-F328 HydrophobicContact CB-CE2 4.3Å; I325-F328 HydrophobicContact CD1-CE2 3.77Å; I325-F328 HydrophobicContact CD1-CZ 4.27Å; I325-F328 HydrophobicContact CG1-CE2 4.27Å; I325-F328 HydrophobicContact CG2-CD2 3.44Å; I325-F328 VanDerWaalsContact CG2-CD2 3.44Å; I325-F328 HydrophobicContact CG2-CE2 3.22Å; I325-F328 HydrophobicContact CG2-CG 4.34Å; I325-F328 HydrophobicContact CG2-CZ 3.94Å; I325-F345 HydrophobicContact CD1-CE1 4.28Å; I325-F345 HydrophobicContact CG1-CD1 3.9Å; I325-F345 HydrophobicContact CG1-CE1 3.75Å |
| 326 | V | 89 | Confident | 57.9 | Low | 1 Ų | 1 | 89.8 Ų | 89.8 | 1% | 0.006 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -48.9 | 178.1 | 176.8 | 0 | 0 | 0 | 0 | 109.5 | D170 I173 Q174 I344 L346 | D170-V326 HydrophobicContact CB-CG1 4.35Å; D170-V326 WeakPolarHBondContact OD1-CG1 3.34Å; I173-V326 HydrophobicContact CB-CG1 4.25Å; I173-V326 HydrophobicContact CD1-CG1 4.27Å; I173-V326 HydrophobicContact CG2-CG1 3.84Å; Q174-V326 VanDerWaalsContact CG-O 3.3Å; Q174-V326 WeakPolarHBondContact CG-O 3.38Å; Q174-V326 PolarHBondContact NE2-O 3.04Å; V326-I344 HydrophobicContact CB-CB 4.11Å; V326-I344 HydrophobicContact CB-CG2 3.99Å; V326-I344 WeakPolarHBondContact CB-O 3.39Å; V326-I344 HydrophobicContact CG2-CG2 4.06Å; V326-I344 PolarHBondContact N-O 3.42Å; V326-L346 HydrophobicContact CG2-CD1 3.77Å; V326-L346 HydrophobicContact CG2-CG 3.94Å |
| 327 | T | 89 | Confident | 58.6 | Low | 15 Ų | 15 | 87.9 Ų | 87.9 | 9% | 0.092 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 163.1 | 179.9 | -170.4 | 0 | 0 | 0 | 0 | 111.3 | I173 F177 G343 I344 | I173-T327 HydrophobicContact CG2-CG2 3.73Å; F177-T327 HydrophobicContact CB-CG2 4.12Å; F177-T327 HydrophobicContact CD1-CG2 3.58Å; F177-T327 HydrophobicContact CD2-CG2 3.4Å; F177-T327 HydrophobicContact CE1-CG2 3.76Å; F177-T327 HydrophobicContact CE2-CG2 3.6Å; F177-T327 HydrophobicContact CG-CG2 3.41Å; F177-T327 VanDerWaalsContact CG-CG2 3.41Å; F177-T327 HydrophobicContact CZ-CG2 3.77Å; T327-G343 CarbonylContact O-C 3.51Å; T327-G343 WeakPolarHBondContact O-CA 3.46Å; T327-I344 HydrophobicContact CG2-CB 4.3Å; T327-I344 HydrophobicContact CG2-CD1 4.39Å; T327-I344 HydrophobicContact CG2-CG1 4.39Å; T327-I344 PolarHBondContact O-N 3.45Å |
| 328 | F | 82.7 | Confident | 59.6 | Low | 35 Ų | 35 | 85.3 Ų | 85.3 | 15% | 0.154 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 150.9 | 171.2 | -82.4 | -69 | 0 | 0 | 0 | 111.2 | E212 I325 F341 F345 I356 | E212-F328 HydrophobicContact CB-CB 4.28Å; E212-F328 HydrophobicContact CB-CD1 4.48Å; E212-F328 HydrophobicContact CB-CD2 4.3Å; E212-F328 HydrophobicContact CB-CG 4.16Å; E212-F328 HydrophobicContact CG-CB 3.9Å; E212-F328 HydrophobicContact CG-CD2 4.22Å; E212-F328 HydrophobicContact CG-CG 4.18Å; E212-F328 VanDerWaalsContact O-CE2 3.29Å; E212-F328 WeakPolarHBondContact O-CE2 3.33Å; E212-F328 WeakPolarHBondContact O-CZ 3.42Å; I325-F328 HydrophobicContact CB-CE2 4.3Å; I325-F328 HydrophobicContact CD1-CE2 3.77Å; I325-F328 HydrophobicContact CD1-CZ 4.27Å; I325-F328 HydrophobicContact CG1-CE2 4.27Å; I325-F328 HydrophobicContact CG2-CD2 3.44Å; I325-F328 VanDerWaalsContact CG2-CD2 3.44Å; I325-F328 HydrophobicContact CG2-CE2 3.22Å; I325-F328 HydrophobicContact CG2-CG 4.34Å; I325-F328 HydrophobicContact CG2-CZ 3.94Å; F328-F341 HydrophobicContact CD1-CB 4.41Å; F328-F345 HydrophobicContact CD1-CE2 4.42Å; F328-F345 AromaticContact CE1-CE2 3.52Å; F328-F345 HydrophobicContact CE1-CE2 3.52Å; F328-F345 AromaticContact CE1-CZ 3.4Å; F328-F345 HydrophobicContact CE1-CZ 3.4Å; F328-F345 VanDerWaalsContact CE1-CZ 3.4Å; F328-F345 HydrophobicContact CE2-CZ 4.25Å; F328-F345 AromaticContact CZ-CE1 4Å; F328-F345 HydrophobicContact CZ-CE1 4Å; F328-F345 AromaticContact CZ-CE2 3.74Å; F328-F345 HydrophobicContact CZ-CE2 3.74Å; F328-F345 AromaticContact CZ-CZ 3.18Å; F328-F345 HydrophobicContact CZ-CZ 3.18Å; F328-I356 HydrophobicContact CE1-CD1 4.42Å |
| 329 | L | 74.5 | Confident | 61.1 | Low | 45 Ų | 45 | 77.7 Ų | 77.7 | 24% | 0.236 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.4 | 163.7 | -165.5 | 71 | 0 | 0 | 0 | 107.7 | F177 I181 N331 T342 | F177-L329 HydrophobicContact CD1-CB 3.69Å; F177-L329 HydrophobicContact CE1-CB 3.63Å; I181-L329 HydrophobicContact CD1-CB 4.16Å; I181-L329 HydrophobicContact CD1-CD2 3.71Å; L329-N331 WeakPolarHBondContact CD2-OD1 3.27Å; L329-N331 PolarHBondContact O-N 3.38Å; L329-T342 PolarHBondContact N-O 3.08Å; L329-T342 PolarHBondContact O-N 3.01Å; L329-T342 VanDerWaalsContact O-N 3.15Å |
| 330 | N | 66.6 | Low | 62.7 | Low | 64 Ų | 64 | 70 Ų | 70 | 34% | 0.342 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 108.9 | 171.8 | -175.3 | -7.1 | 0 | 0 | 0 | 108.6 | M332 F341 | N330-M332 VanDerWaalsContact C-N 3.34Å; N330-M332 PolarHBondContact O-N 2.94Å; N330-M332 PolarHBondContact OD1-N 3.41Å; N330-F341 HydrophobicContact CB-CD1 4.17Å; N330-F341 HydrophobicContact CB-CE1 4.3Å |
| 331 | N | 55.4 | Low | 64.2 | Low | 67 Ų | 67 | 63.6 Ų | 63.6 | 36% | 0.358 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 75.4 | 172.4 | -74.7 | -6 | 0 | 0 | 0 | 108.1 | L329 L333 T340 | L329-N331 WeakPolarHBondContact CD2-OD1 3.27Å; L329-N331 PolarHBondContact O-N 3.38Å; N331-L333 PolarHBondContact O-N 2.91Å; N331-L333 VanDerWaalsContact O-N 3.08Å; N331-T340 PolarHBondContact N-O 2.9Å; N331-T340 VanDerWaalsContact N-O 3.08Å; N331-T340 PolarHBondContact O-OG1 3.33Å |
| 332 | M | 42.2 | Very low | 65.6 | Low | 117 Ų | 117 | 62.5 Ų | 62.5 | 58% | 0.576 | 31% | 0.314 | S | S | * | . | trans | -77.6 | 90.2 | 171.2 | -166.2 | -176.7 | -71.2 | 0 | 0 | 108.5 | N330 L334 | N330-M332 VanDerWaalsContact C-N 3.34Å; N330-M332 PolarHBondContact O-N 2.94Å; N330-M332 PolarHBondContact OD1-N 3.41Å; M332-L334 PolarHBondContact O-N 2.97Å; M332-L334 VanDerWaalsContact O-N 3.12Å; M332-L334 HydrophobicContact SD-CD2 4.36Å | ||
| 333 | L | 36.7 | Very low | 66.5 | Low | 104 Ų | 104 | 60.2 Ų | 60.2 | 55% | 0.545 | 30% | 0.303 | S | S | . | . | trans | -71.9 | 103.4 | 166.4 | -72.7 | 169 | 0 | 0 | 0 | 107.8 | N331 F335 F336 | N331-L333 PolarHBondContact O-N 2.91Å; N331-L333 VanDerWaalsContact O-N 3.08Å; L333-F335 PolarHBondContact O-N 2.82Å; L333-F336 HydrophobicContact CB-CD2 4.23Å; L333-F336 HydrophobicContact CD1-CD2 4.3Å; L333-F336 PolarHBondContact O-N 2.91Å | ||
| 334 | L | 30.7 | Very low | 66.9 | Low | 146 Ų | 146 | 58 Ų | 58 | 76% | 0.764 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 5.6 | -179.9 | -77 | 164 | 0 | 0 | 0 | 115.3 | M332 | M332-L334 PolarHBondContact O-N 2.97Å; M332-L334 VanDerWaalsContact O-N 3.12Å; M332-L334 HydrophobicContact SD-CD2 4.36Å |
| 335 | F | 31.8 | Very low | 67.1 | Low | 175 Ų | 175 | 54.5 Ų | 54.5 | 77% | 0.768 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.8 | -4.9 | -174.8 | -63.5 | -74.2 | 0 | 0 | 0 | 114.5 | L333 | L333-F335 PolarHBondContact O-N 2.82Š|
| 336 | F | 34 | Very low | 67.2 | Low | 143 Ų | 143 | 53.3 Ų | 53.3 | 63% | 0.627 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -126.3 | 145.3 | 177.4 | -64.3 | -79.7 | 0 | 0 | 0 | 110.3 | L333 D338 | L333-F336 HydrophobicContact CB-CD2 4.23Å; L333-F336 HydrophobicContact CD1-CD2 4.3Å; L333-F336 PolarHBondContact O-N 2.91Å; F336-D338 PolarHBondContact O-N 2.95Å |
| 337 | S | 45.5 | Very low | 67.1 | Low | 68 Ų | 68 | 53.2 Ų | 53.2 | 48% | 0.476 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -70.9 | -4.7 | 179 | 52.5 | 0 | 0 | 0 | 0 | 114.7 | N363 | S337-N363 WeakPolarHBondContact CB-ND2 3.43Å; S337-N363 WeakPolarHBondContact OG-CB 3.4Å; S337-N363 VanDerWaalsContact OG-CG 3.28Å; S337-N363 PolarHBondContact OG-ND2 3.46Å |
| 338 | D | 57.4 | Low | 66.7 | Low | 64 Ų | 64 | 55.8 Ų | 55.8 | 34% | 0.342 | 28% | 0.283 | S | S | . | . | trans | -104.4 | 121.3 | -169.3 | -57.1 | -8 | 0 | 0 | 0 | 107.6 | F336 | F336-D338 PolarHBondContact O-N 2.95Š| ||
| 339 | V | 68.6 | Low | 66.4 | Low | 22 Ų | 22 | 58.1 Ų | 58.1 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 126.3 | -177.2 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | W207 F341 L358 | W207-V339 HydrophobicContact CH2-CB 3.91Å; W207-V339 HydrophobicContact CH2-CG1 4.23Å; W207-V339 HydrophobicContact CH2-CG2 3.52Å; W207-V339 HydrophobicContact CZ2-CG2 3.93Å; W207-V339 HydrophobicContact CZ3-CB 4.34Å; W207-V339 HydrophobicContact CZ3-CG1 4.17Å; W207-V339 HydrophobicContact CZ3-CG2 4.22Å; V339-F341 HydrophobicContact CB-CE2 4.45Å; V339-F341 HydrophobicContact CB-CZ 4.44Å; V339-F341 HydrophobicContact CG1-CD2 4.47Å; V339-F341 HydrophobicContact CG1-CE1 3.83Å; V339-F341 HydrophobicContact CG1-CE2 3.58Å; V339-F341 HydrophobicContact CG1-CZ 3.23Å; V339-L358 HydrophobicContact CB-CB 4.33Å; V339-L358 HydrophobicContact CB-CD1 4.09Å; V339-L358 HydrophobicContact CG1-CD1 4.44Å; V339-L358 PolarHBondContact O-N 3.42Å |
| 340 | T | 76.2 | Confident | 66.8 | Low | 31 Ų | 31 | 60.3 Ų | 60.3 | 19% | 0.19 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 132.4 | -177.8 | 67.8 | 0 | 0 | 0 | 0 | 111.6 | N331 I356 E357 | N331-T340 PolarHBondContact N-O 2.9Å; N331-T340 VanDerWaalsContact N-O 3.08Å; N331-T340 PolarHBondContact O-OG1 3.33Å; T340-I356 CarbonylContact C-O 3.45Å; T340-I356 VanDerWaalsContact CA-O 3.32Å; T340-I356 WeakPolarHBondContact CA-O 3.47Å; T340-E357 HydrophobicContact CG2-CG 4Å |
| 341 | F | 82.4 | Confident | 67.9 | Low | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.009 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 133.4 | 175.2 | -49.9 | -78.2 | 0 | 0 | 0 | 108.4 | W207 E212 M215 F328 N330 V339 T355 I356 L358 | W207-F341 HydrophobicContact CZ3-CZ 4.36Å; E212-F341 HydrophobicContact CB-CB 4.42Å; E212-F341 HydrophobicContact CB-CD1 3.47Å; E212-F341 VanDerWaalsContact CB-CD1 3.47Å; E212-F341 HydrophobicContact CB-CE1 3.81Å; E212-F341 HydrophobicContact CB-CG 4Å; M215-F341 HydrophobicContact CE-CD2 3.89Å; M215-F341 HydrophobicContact CE-CE1 4.3Å; M215-F341 HydrophobicContact CE-CE2 3.08Å; M215-F341 HydrophobicContact CE-CZ 3.31Å; M215-F341 HydrophobicContact SD-CD2 4.49Å; M215-F341 HydrophobicContact SD-CE2 3.89Å; F328-F341 HydrophobicContact CD1-CB 4.41Å; N330-F341 HydrophobicContact CB-CD1 4.17Å; N330-F341 HydrophobicContact CB-CE1 4.3Å; V339-F341 HydrophobicContact CB-CE2 4.45Å; V339-F341 HydrophobicContact CB-CZ 4.44Å; V339-F341 HydrophobicContact CG1-CD2 4.47Å; V339-F341 HydrophobicContact CG1-CE1 3.83Å; V339-F341 HydrophobicContact CG1-CE2 3.58Å; V339-F341 HydrophobicContact CG1-CZ 3.23Å; F341-T355 CarbonylContact O-C 3.4Å; F341-T355 VanDerWaalsContact O-CA 3.26Å; F341-T355 WeakPolarHBondContact O-CA 3.32Å; F341-I356 HydrophobicContact CB-CB 4.39Å; F341-I356 HydrophobicContact CD2-CB 4.31Å; F341-I356 HydrophobicContact CD2-CG2 4.4Å; F341-I356 PolarHBondContact N-O 3.3Å; F341-I356 PolarHBondContact O-N 3.36Å; F341-L358 HydrophobicContact CE2-CD1 3.77Å; F341-L358 HydrophobicContact CE2-CG 4.46Å; F341-L358 HydrophobicContact CZ-CD1 4.45Å |
| 342 | T | 86.2 | Confident | 69.6 | Low | 19 Ų | 19 | 54.5 Ų | 54.5 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.1 | 171.2 | -64.2 | 0 | 0 | 0 | 0 | 108.7 | F177 F187 L329 V353 I354 T355 | F177-T342 WeakPolarHBondContact CE1-O 3.18Å; F187-T342 HydrophobicContact CZ-CG2 4.29Å; L329-T342 PolarHBondContact N-O 3.08Å; L329-T342 PolarHBondContact O-N 3.01Å; L329-T342 VanDerWaalsContact O-N 3.15Å; T342-V353 HydrophobicContact CG2-CG1 3.67Å; T342-I354 WeakPolarHBondContact CA-O 3.4Å; T342-T355 PolarHBondContact OG1-OG1 2.91Å |
| 343 | G | 87.9 | Confident | 72 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 165 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T327 V353 I354 | T327-G343 CarbonylContact O-C 3.51Å; T327-G343 WeakPolarHBondContact O-CA 3.46Å; G343-V353 WeakPolarHBondContact O-CA 3.49Å; G343-I354 PolarHBondContact N-O 3.16Å; G343-I354 PolarHBondContact O-N 3.38Å |
| 344 | I | 92.3 | Very high | 74.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 126.8 | 170.8 | -63.4 | 174.4 | 0 | 0 | 0 | 108 | I173 F177 F187 V326 T327 M351 | I173-I344 HydrophobicContact CG2-CD1 3.94Å; F177-I344 HydrophobicContact CD2-CD1 4.23Å; F177-I344 HydrophobicContact CE2-CD1 3.67Å; F177-I344 HydrophobicContact CE2-CG1 3.73Å; F177-I344 HydrophobicContact CZ-CG1 4.17Å; F187-I344 HydrophobicContact CD2-CD1 3.9Å; F187-I344 HydrophobicContact CD2-CG1 4.14Å; F187-I344 HydrophobicContact CE2-CD1 3.97Å; F187-I344 HydrophobicContact CE2-CG1 3.76Å; V326-I344 HydrophobicContact CB-CB 4.11Å; V326-I344 HydrophobicContact CB-CG2 3.99Å; V326-I344 WeakPolarHBondContact CB-O 3.39Å; V326-I344 HydrophobicContact CG2-CG2 4.06Å; V326-I344 PolarHBondContact N-O 3.42Å; T327-I344 HydrophobicContact CG2-CB 4.3Å; T327-I344 HydrophobicContact CG2-CD1 4.39Å; T327-I344 HydrophobicContact CG2-CG1 4.39Å; T327-I344 PolarHBondContact O-N 3.45Å; I344-M351 HydrophobicContact CG2-CE 3.58Å |
| 345 | F | 92.4 | Very high | 77.2 | Confident | 1 Ų | 1 | 38 Ų | 38 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 149.1 | -178.3 | -69.6 | -114 | 0 | 0 | 0 | 110.3 | L220 K324 I325 F328 M351 A352 I354 | L220-F345 HydrophobicContact CD1-CD1 4.46Å; K324-F345 CarbonylContact O-C 3.53Å; K324-F345 WeakPolarHBondContact O-CA 3.32Å; I325-F345 HydrophobicContact CD1-CE1 4.28Å; I325-F345 HydrophobicContact CG1-CD1 3.9Å; I325-F345 HydrophobicContact CG1-CE1 3.75Å; F328-F345 HydrophobicContact CD1-CE2 4.42Å; F328-F345 AromaticContact CE1-CE2 3.52Å; F328-F345 HydrophobicContact CE1-CE2 3.52Å; F328-F345 AromaticContact CE1-CZ 3.4Å; F328-F345 HydrophobicContact CE1-CZ 3.4Å; F328-F345 VanDerWaalsContact CE1-CZ 3.4Å; F328-F345 HydrophobicContact CE2-CZ 4.25Å; F328-F345 AromaticContact CZ-CE1 4Å; F328-F345 HydrophobicContact CZ-CE1 4Å; F328-F345 AromaticContact CZ-CE2 3.74Å; F328-F345 HydrophobicContact CZ-CE2 3.74Å; F328-F345 AromaticContact CZ-CZ 3.18Å; F328-F345 HydrophobicContact CZ-CZ 3.18Å; F345-M351 CarbonylContact O-C 3.52Å; F345-M351 WeakPolarHBondContact O-CA 3.32Å; F345-A352 PolarHBondContact N-O 3.14Å; F345-A352 PolarHBondContact O-N 3.35Å; F345-I354 HydrophobicContact CB-CD1 3.74Å; F345-I354 HydrophobicContact CB-CG1 4.04Å; F345-I354 HydrophobicContact CD1-CD1 3.64Å; F345-I354 HydrophobicContact CD1-CG1 4.43Å; F345-I354 HydrophobicContact CD2-CB 3.59Å; F345-I354 HydrophobicContact CD2-CD1 3.62Å; F345-I354 HydrophobicContact CD2-CG1 3.48Å; F345-I354 VanDerWaalsContact CD2-CG1 3.48Å; F345-I354 HydrophobicContact CE1-CD1 3.99Å; F345-I354 HydrophobicContact CE2-CB 3.51Å; F345-I354 HydrophobicContact CE2-CD1 4.02Å; F345-I354 HydrophobicContact CE2-CG1 3.92Å; F345-I354 HydrophobicContact CE2-CG2 4.39Å; F345-I354 HydrophobicContact CG-CB 4.31Å; F345-I354 HydrophobicContact CG-CD1 3.4Å; F345-I354 HydrophobicContact CG-CG1 3.76Å; F345-I354 HydrophobicContact CZ-CB 4.1Å; F345-I354 HydrophobicContact CZ-CD1 4.13Å; F345-I354 HydrophobicContact CZ-CG1 4.48Å |
| 346 | L | 90.2 | Very high | 79.8 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 114.3 | 166.2 | -70.6 | 163.1 | 0 | 0 | 0 | 107.9 | N158 E322 W323 K324 V326 Q350 M351 | N158-L346 WeakPolarHBondContact ND2-CD2 3.21Å; E322-L346 HydrophobicContact CG-CD1 4.3Å; W323-L346 VanDerWaalsContact CA-O 3.31Å; W323-L346 WeakPolarHBondContact CA-O 3.43Å; K324-L346 HydrophobicContact CB-CB 4.4Å; K324-L346 HydrophobicContact CB-CD1 4.27Å; K324-L346 PolarHBondContact N-O 3.36Å; K324-L346 VanDerWaalsContact N-O 3.11Å; K324-L346 PolarHBondContact O-N 2.93Å; V326-L346 HydrophobicContact CG2-CD1 3.77Å; V326-L346 HydrophobicContact CG2-CG 3.94Å; L346-Q350 WeakPolarHBondContact CA-O 3.36Å; L346-M351 HydrophobicContact CD2-CB 4.43Å; L346-M351 HydrophobicContact CD2-CG 3.46Å; L346-M351 VanDerWaalsContact CD2-CG 3.46Å; L346-M351 HydrophobicContact CG-CG 4.49Å |
| 347 | I | 86.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 112.1 | 175.4 | -68.5 | 167.2 | 0 | 0 | 0 | 106.1 | I193 F223 F236 M238 W323 R349 Q350 I354 | I193-I347 HydrophobicContact CD1-CD1 3.95Å; F223-I347 HydrophobicContact CD2-CD1 4.41Å; F223-I347 HydrophobicContact CE2-CD1 4.43Å; F236-I347 HydrophobicContact CE1-CG2 3.67Å; F236-I347 HydrophobicContact CE2-CG2 4.23Å; F236-I347 HydrophobicContact CZ-CG2 3.34Å; M238-I347 HydrophobicContact CE-CB 3.51Å; M238-I347 HydrophobicContact CE-CD1 4.32Å; M238-I347 HydrophobicContact CE-CG1 4.49Å; M238-I347 HydrophobicContact CE-CG2 3.62Å; M238-I347 HydrophobicContact SD-CD1 4.31Å; M238-I347 HydrophobicContact SD-CG2 4.46Å; W323-I347 HydrophobicContact CE3-CB 4.36Å; W323-I347 HydrophobicContact CE3-CG1 4.35Å; W323-I347 HydrophobicContact CE3-CG2 4.22Å; W323-I347 HydrophobicContact CH2-CG2 3.76Å; W323-I347 HydrophobicContact CZ3-CB 4.09Å; W323-I347 HydrophobicContact CZ3-CG1 4.15Å; W323-I347 HydrophobicContact CZ3-CG2 3.49Å; W323-I347 VanDerWaalsContact CZ3-CG2 3.49Å; I347-R349 VanDerWaalsContact C-N 3.34Å; I347-R349 PolarHBondContact O-N 3.01Å; I347-Q350 PolarHBondContact N-O 2.92Å; I347-Q350 WeakPolarHBondContact O-CB 3.03Å; I347-Q350 PolarHBondContact O-N 2.79Å; I347-I354 HydrophobicContact CD1-CD1 3.87Å |
| 348 | K | 80.1 | Confident | 83.8 | Confident | 68 Ų | 68 | 22.7 Ų | 22.7 | 30% | 0.296 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 47.3 | -177.2 | -156.6 | -173.7 | 179 | -174 | 0 | 113.2 | F236 I321 W323 Q350 | F236-K348 HydrophobicContact CB-CD 4Å; F236-K348 HydrophobicContact CD1-CB 4.26Å; F236-K348 HydrophobicContact CD1-CD 3.93Å; F236-K348 HydrophobicContact CE1-CB 4.47Å; F236-K348 HydrophobicContact CG-CD 4.2Å; I321-K348 HydrophobicContact CG2-CB 4.14Å; I321-K348 HydrophobicContact CG2-CG 3.78Å; W323-K348 HydrophobicContact CZ2-CB 4.32Å; K348-Q350 PolarHBondContact O-N 3.3Å; K348-Q350 VanDerWaalsContact O-N 3.16Å |
| 349 | R | 77.5 | Confident | 84.6 | Confident | 84 Ų | 84 | 20.6 Ų | 20.6 | 32% | 0.317 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 3.7 | -174.7 | -56.5 | -177.9 | 176.9 | 174.9 | 0.9 | 116.1 | N158 E320 E322 I347 | N158-R349 PolarHBondContact ND2-O 3.26Å; E320-R349 PolarHBondContact O-NH2 3Å; E322-R349 HydrophobicContact CB-CG 4.36Å; E322-R349 PolarHBondContact O-N 3.04Å; I347-R349 VanDerWaalsContact C-N 3.34Å; I347-R349 PolarHBondContact O-N 3.01Å |
| 350 | Q | 83.1 | Confident | 84.5 | Confident | 92 Ų | 92 | 20.9 Ų | 20.9 | 43% | 0.43 | 10% | 0.102 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 133.1 | 174.5 | -60.9 | -175.5 | 1.3 | 0 | 0 | 109.9 | M238 L346 I347 K348 | M238-Q350 VanDerWaalsContact CB-OE1 3.28Å; M238-Q350 HydrophobicContact CE-CB 3.73Å; L346-Q350 WeakPolarHBondContact CA-O 3.36Å; I347-Q350 PolarHBondContact N-O 2.92Å; I347-Q350 WeakPolarHBondContact O-CB 3.03Å; I347-Q350 PolarHBondContact O-N 2.79Å; K348-Q350 PolarHBondContact O-N 3.3Å; K348-Q350 VanDerWaalsContact O-N 3.16Å |
| 351 | M | 90.1 | Very high | 83.6 | Confident | 8 Ų | 8 | 21.7 Ų | 21.7 | 4% | 0.039 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 131.4 | 175.3 | -67.9 | 179.7 | 78.5 | 0 | 0 | 110.2 | I151 R154 K155 I173 L190 I344 F345 L346 | I151-M351 HydrophobicContact CG1-CE 4.44Å; I151-M351 HydrophobicContact CG2-CE 4.3Å; I151-M351 HydrophobicContact CG2-SD 4.26Å; R154-M351 HydrophobicContact CB-CE 4.07Å; R154-M351 HydrophobicContact CB-SD 3.74Å; R154-M351 HydrophobicContact CG-CE 3.84Å; R154-M351 HydrophobicContact CG-SD 3.63Å; K155-M351 HydrophobicContact CG-CG 4.46Å; K155-M351 HydrophobicContact CG-SD 3.77Å; I173-M351 HydrophobicContact CD1-CE 4.38Å; L190-M351 HydrophobicContact CD1-CB 4.42Å; L190-M351 HydrophobicContact CD2-CB 3.93Å; I344-M351 HydrophobicContact CG2-CE 3.58Å; F345-M351 CarbonylContact O-C 3.52Å; F345-M351 WeakPolarHBondContact O-CA 3.32Å; L346-M351 HydrophobicContact CD2-CB 4.43Å; L346-M351 HydrophobicContact CD2-CG 3.46Å; L346-M351 VanDerWaalsContact CD2-CG 3.46Å; L346-M351 HydrophobicContact CG-CG 4.49Å |
| 352 | A | 91.2 | Very high | 82 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 151.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | P191 I193 M238 F345 | P191-A352 HydrophobicContact CB-CB 4.42Å; P191-A352 WeakPolarHBondContact O-CA 3.33Å; I193-A352 HydrophobicContact CD1-CB 4.23Å; M238-A352 HydrophobicContact CE-CB 4.39Å; M238-A352 HydrophobicContact SD-CB 4.09Å; F345-A352 PolarHBondContact N-O 3.14Å; F345-A352 PolarHBondContact O-N 3.35Å |
| 353 | V | 90.8 | Very high | 80.1 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.024 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 127 | 168.6 | -179.7 | 0 | 0 | 0 | 0 | 107.2 | F187 L190 P191 H192 I193 T342 G343 | F187-V353 HydrophobicContact CD2-CG2 3.86Å; F187-V353 HydrophobicContact CE1-CG1 4.38Å; F187-V353 HydrophobicContact CE1-CG2 4.31Å; F187-V353 HydrophobicContact CE2-CB 4.41Å; F187-V353 HydrophobicContact CE2-CG1 4.06Å; F187-V353 HydrophobicContact CE2-CG2 3.41Å; F187-V353 VanDerWaalsContact CE2-CG2 3.41Å; F187-V353 HydrophobicContact CG-CG2 4.47Å; F187-V353 HydrophobicContact CZ-CB 4.32Å; F187-V353 HydrophobicContact CZ-CG1 3.61Å; F187-V353 HydrophobicContact CZ-CG2 3.67Å; L190-V353 HydrophobicContact CB-CG2 3.86Å; L190-V353 HydrophobicContact CD1-CG2 3.87Å; L190-V353 HydrophobicContact CG-CG2 4.48Å; P191-V353 PolarHBondContact O-N 2.92Å; H192-V353 CarbonylContact C-O 3.54Å; H192-V353 WeakPolarHBondContact CA-O 3.35Å; I193-V353 PolarHBondContact N-O 3.49Å; T342-V353 HydrophobicContact CG2-CG1 3.67Å; G343-V353 WeakPolarHBondContact O-CA 3.49Å |
| 354 | I | 89.9 | Confident | 77.6 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.3 | 174.6 | -48.9 | -174.8 | 0 | 0 | 0 | 108.6 | I193 V195 L219 F223 T342 G343 F345 I347 I356 | I193-I354 HydrophobicContact CB-CG1 4.24Å; I193-I354 HydrophobicContact CB-CG2 4.47Å; I193-I354 HydrophobicContact CD1-CG1 4.42Å; I193-I354 VanDerWaalsContact O-CA 3.32Å; I193-I354 WeakPolarHBondContact O-CA 3.39Å; V195-I354 HydrophobicContact CG2-CG2 3.89Å; L219-I354 HydrophobicContact CD2-CD1 4.37Å; L219-I354 HydrophobicContact CD2-CG2 3.78Å; F223-I354 HydrophobicContact CE2-CD1 4.07Å; T342-I354 WeakPolarHBondContact CA-O 3.4Å; G343-I354 PolarHBondContact N-O 3.16Å; G343-I354 PolarHBondContact O-N 3.38Å; F345-I354 HydrophobicContact CB-CD1 3.74Å; F345-I354 HydrophobicContact CB-CG1 4.04Å; F345-I354 HydrophobicContact CD1-CD1 3.64Å; F345-I354 HydrophobicContact CD1-CG1 4.43Å; F345-I354 HydrophobicContact CD2-CB 3.59Å; F345-I354 HydrophobicContact CD2-CD1 3.62Å; F345-I354 HydrophobicContact CD2-CG1 3.48Å; F345-I354 VanDerWaalsContact CD2-CG1 3.48Å; F345-I354 HydrophobicContact CE1-CD1 3.99Å; F345-I354 HydrophobicContact CE2-CB 3.51Å; F345-I354 HydrophobicContact CE2-CD1 4.02Å; F345-I354 HydrophobicContact CE2-CG1 3.92Å; F345-I354 HydrophobicContact CE2-CG2 4.39Å; F345-I354 HydrophobicContact CG-CB 4.31Å; F345-I354 HydrophobicContact CG-CD1 3.4Å; F345-I354 HydrophobicContact CG-CG1 3.76Å; F345-I354 HydrophobicContact CZ-CB 4.1Å; F345-I354 HydrophobicContact CZ-CD1 4.13Å; F345-I354 HydrophobicContact CZ-CG1 4.48Å; I347-I354 HydrophobicContact CD1-CD1 3.87Å; I354-I356 HydrophobicContact CG2-CG1 4.24Å |
| 355 | T | 87.5 | Confident | 74.6 | Confident | 17 Ų | 17 | 43.5 Ų | 43.5 | 10% | 0.104 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 123.2 | 168.8 | -61.5 | 0 | 0 | 0 | 0 | 108.5 | H192 I193 L194 V195 F341 T342 E357 | H192-T355 PolarHBondContact NE2-OG1 3.47Å; I193-T355 PolarHBondContact O-N 2.78Å; L194-T355 HydrophobicContact CD1-CG2 3.89Å; V195-T355 PolarHBondContact N-O 2.8Å; F341-T355 CarbonylContact O-C 3.4Å; F341-T355 VanDerWaalsContact O-CA 3.26Å; F341-T355 WeakPolarHBondContact O-CA 3.32Å; T342-T355 PolarHBondContact OG1-OG1 2.91Å; T355-E357 HydrophobicContact CG2-CG 4.34Å |
| 356 | I | 86.8 | Confident | 71.8 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 119.9 | 176.1 | -56.5 | 174.9 | 0 | 0 | 0 | 107.6 | V195 I197 L219 F328 T340 F341 I354 | V195-I356 CarbonylContact O-C 3.52Å; V195-I356 WeakPolarHBondContact O-CA 3.45Å; I197-I356 HydrophobicContact CD1-CG2 3.55Å; I197-I356 HydrophobicContact CG1-CG2 4.01Å; L219-I356 HydrophobicContact CD2-CD1 3.79Å; L219-I356 HydrophobicContact CD2-CG1 3.94Å; F328-I356 HydrophobicContact CE1-CD1 4.42Å; T340-I356 CarbonylContact C-O 3.45Å; T340-I356 VanDerWaalsContact CA-O 3.32Å; T340-I356 WeakPolarHBondContact CA-O 3.47Å; F341-I356 HydrophobicContact CB-CB 4.39Å; F341-I356 HydrophobicContact CD2-CB 4.31Å; F341-I356 HydrophobicContact CD2-CG2 4.4Å; F341-I356 PolarHBondContact N-O 3.3Å; F341-I356 PolarHBondContact O-N 3.36Å; I354-I356 HydrophobicContact CG2-CG1 4.24Å |
| 357 | E | 83.7 | Confident | 68.9 | Low | 55 Ų | 55 | 57.6 Ų | 57.6 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 117.4 | 174.4 | -65.3 | -179.9 | 174.1 | 0 | 0 | 109.1 | L194 V195 K196 I197 T340 T355 V359 | L194-E357 HydrophobicContact CD1-CG 3.88Å; V195-E357 PolarHBondContact O-N 3.42Å; K196-E357 CarbonylContact C-O 3.53Å; K196-E357 WeakPolarHBondContact CA-O 3.12Å; K196-E357 WeakPolarHBondContact CE-OE2 3.26Å; K196-E357 HydrophobicContact CG-CB 4.42Å; K196-E357 IonicContact NZ-OE2 3.77Å; I197-E357 PolarHBondContact N-O 3.49Å; T340-E357 HydrophobicContact CG2-CG 4Å; T355-E357 HydrophobicContact CG2-CG 4.34Å; E357-V359 HydrophobicContact CB-CG2 4.47Å |
| 358 | L | 78.9 | Confident | 66.2 | Low | 10 Ų | 10 | 61.9 Ų | 61.9 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 120.9 | 170.1 | -75.1 | 167 | 0 | 0 | 0 | 109.6 | I197 I205 W207 M215 V339 F341 | I197-L358 HydrophobicContact CB-CD2 3.8Å; I197-L358 HydrophobicContact CG2-CD2 3.79Å; I197-L358 WeakPolarHBondContact O-CA 3.42Å; I205-L358 HydrophobicContact CD1-CD2 4.38Å; W207-L358 HydrophobicContact CH2-CD1 3.42Å; W207-L358 VanDerWaalsContact CH2-CD1 3.42Å; W207-L358 HydrophobicContact CZ3-CD1 3.48Å; W207-L358 VanDerWaalsContact CZ3-CD1 3.48Å; M215-L358 HydrophobicContact CE-CD1 4.11Å; M215-L358 HydrophobicContact SD-CD1 3.65Å; M215-L358 HydrophobicContact SD-CD2 4.04Å; M215-L358 HydrophobicContact SD-CG 4.11Å; V339-L358 HydrophobicContact CB-CB 4.33Å; V339-L358 HydrophobicContact CB-CD1 4.09Å; V339-L358 HydrophobicContact CG1-CD1 4.44Å; V339-L358 PolarHBondContact O-N 3.42Å; F341-L358 HydrophobicContact CE2-CD1 3.77Å; F341-L358 HydrophobicContact CE2-CG 4.46Å; F341-L358 HydrophobicContact CZ-CD1 4.45Å |
| 359 | V | 73.9 | Confident | 63.8 | Low | 20 Ų | 20 | 62.4 Ų | 62.4 | 12% | 0.121 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 123.3 | -175.8 | -172.5 | 0 | 0 | 0 | 0 | 109.3 | I197 S199 L273 E357 | I197-V359 PolarHBondContact O-N 2.83Å; S199-V359 PolarHBondContact N-O 2.98Å; S199-V359 PolarHBondContact OG-O 3.45Å; L273-V359 HydrophobicContact CD1-CG1 3.64Å; E357-V359 HydrophobicContact CB-CG2 4.47Å |
| 360 | S | 66.7 | Low | 61.4 | Low | 27 Ų | 27 | 62.2 Ų | 62.2 | 19% | 0.189 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 143.8 | 178.2 | 90.7 | 0 | 0 | 0 | 0 | 112.2 | S199 E362 N363 | S199-S360 WeakPolarHBondContact OG-CA 3.32Å; S360-E362 PolarHBondContact O-N 3.35Å; S360-N363 PolarHBondContact O-N 3.02Å; S360-N363 VanDerWaalsContact OG-CB 3.23Å; S360-N363 WeakPolarHBondContact OG-CB 3.01Å; S360-N363 VanDerWaalsContact OG-CG 3.31Å; S360-N363 PolarHBondContact OG-N 2.86Å; S360-N363 PolarHBondContact OG-ND2 3.43Å |
| 361 | H | 58.5 | Low | 58.9 | Low | 48 Ų | 48 | 66 Ų | 66 | 22% | 0.222 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -62.9 | -24 | 177 | -166.7 | -61.9 | 0 | 0 | 0 | 112.7 | S267 | S267-H361 PolarHBondContact O-CD2 2.75Å; S267-H361 PolarHBondContact O-NE2 2.94Å; S267-H361 VanDerWaalsContact O-NE2 3.13Å |
| 362 | E | 48.5 | Very low | 56 | Low | 148 Ų | 148 | 74.1 Ų | 74.1 | 69% | 0.692 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -96.2 | -19.7 | -177.3 | -64.8 | -168.1 | 161.2 | 0 | 0 | 114 | S360 | S360-E362 PolarHBondContact O-N 3.35Š|
| 363 | N | 45.2 | Very low | 52.9 | Low | 82 Ų | 82 | 78.3 Ų | 78.3 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | trans | -93.8 | 8.5 | 176.9 | -65.4 | -42.3 | 0 | 0 | 0 | 114.1 | S337 S360 R365 | S337-N363 WeakPolarHBondContact CB-ND2 3.43Å; S337-N363 WeakPolarHBondContact OG-CB 3.4Å; S337-N363 VanDerWaalsContact OG-CG 3.28Å; S337-N363 PolarHBondContact OG-ND2 3.46Å; S360-N363 PolarHBondContact O-N 3.02Å; S360-N363 VanDerWaalsContact OG-CB 3.23Å; S360-N363 WeakPolarHBondContact OG-CB 3.01Å; S360-N363 VanDerWaalsContact OG-CG 3.31Å; S360-N363 PolarHBondContact OG-N 2.86Å; S360-N363 PolarHBondContact OG-ND2 3.43Å; N363-R365 PolarHBondContact O-N 3.31Å | ||
| 364 | A | 36.6 | Very low | 49.9 | Very low | 38 Ų | 38 | 84 Ų | 84 | 31% | 0.314 | 43% | 0.429 | S | S | . | . | trans | -68.8 | 9.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L273 | L273-A364 HydrophobicContact CD1-CB 4.07Å; L273-A364 HydrophobicContact CG-CB 4.45Å | ||
| 365 | R | 29.5 | Very low | 46.9 | Very low | 212 Ų | 212 | 88.9 Ų | 88.9 | 80% | 0.8 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -98.6 | 115.7 | 159.3 | -73.3 | -172.4 | -175 | -173.1 | 2.6 | 108.8 | N363 R367 | N363-R365 PolarHBondContact O-N 3.31Å; R365-R367 PolarHBondContact O-N 3.18Å |
| 366 | P | 33.4 | Very low | 44.1 | Very low | 61 Ų | 61 | 97.7 Ų | 97.7 | 40% | 0.396 | 50% | 0.503 | S | S | . | . | trans | -67.1 | 110.1 | 175.3 | 29.9 | -35.2 | 0 | 0 | 0 | 106.8 | T368 Y438 | P366-T368 PolarHBondContact O-N 3.45Å; P366-Y438 HydrophobicContact CB-CD1 4.24Å; P366-Y438 HydrophobicContact CG-CD1 3.25Å; P366-Y438 HydrophobicContact CG-CD2 4.19Å; P366-Y438 HydrophobicContact CG-CE1 3.42Å; P366-Y438 VanDerWaalsContact CG-CE1 3.42Å; P366-Y438 HydrophobicContact CG-CE2 4.26Å; P366-Y438 HydrophobicContact CG-CG 3.64Å | ||
| 367 | R | 29.5 | Very low | 41.1 | Very low | 235 Ų | 235 | 99.9 Ų | 99.9 | 89% | 0.887 | 53% | 0.526 | S | S | * | . | trans | -65 | 116.2 | 155.8 | -71 | -175.8 | 178.5 | -172.4 | 1.1 | 105.2 | R365 | R365-R367 PolarHBondContact O-N 3.18Š| ||
| 368 | T | 29.1 | Very low | 38.5 | Very low | 91 Ų | 91 | 103.9 Ų | 103.9 | 56% | 0.558 | 55% | 0.549 | S | S | * | . | trans | -38.7 | 124.6 | 163.3 | 33.2 | 0 | 0 | 0 | 0 | 108.5 | P366 S370 | P366-T368 PolarHBondContact O-N 3.45Å; T368-S370 VanDerWaalsContact C-N 3.32Å; T368-S370 PolarHBondContact O-N 2.71Å | ||
| 369 | P | 28.7 | Very low | 36.3 | Very low | 78 Ų | 78 | 109 Ų | 109 | 51% | 0.506 | 58% | 0.576 | S | S | . | * | trans | -59.9 | 109.8 | 159.1 | 25 | -27.3 | 0 | 0 | 0 | 104.7 | F371 | P369-F371 HydrophobicContact CB-CD2 3.84Å; P369-F371 HydrophobicContact CB-CE2 3.73Å; P369-F371 HydrophobicContact CG-CD2 3.85Å; P369-F371 HydrophobicContact CG-CE2 3.63Å; P369-F371 PolarHBondContact O-N 3.4Å | ||
| 370 | S | 27.5 | Very low | 34.5 | Very low | 81 Ų | 81 | 112.8 Ų | 112.8 | 57% | 0.566 | 61% | 0.61 | S | S | * | * | trans | -70.1 | 83.1 | 173.7 | 40.8 | 0 | 0 | 0 | 0 | 107 | T368 L372 | T368-S370 VanDerWaalsContact C-N 3.32Å; T368-S370 PolarHBondContact O-N 2.71Å; S370-L372 PolarHBondContact O-N 3.33Å | ||
| 371 | F | 31 | Very low | 33.1 | Very low | 172 Ų | 172 | 119 Ų | 119 | 75% | 0.754 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -0.5 | 174 | -89.9 | -82.8 | 0 | 0 | 0 | 113.1 | P369 | P369-F371 HydrophobicContact CB-CD2 3.84Å; P369-F371 HydrophobicContact CB-CE2 3.73Å; P369-F371 HydrophobicContact CG-CD2 3.85Å; P369-F371 HydrophobicContact CG-CE2 3.63Å; P369-F371 PolarHBondContact O-N 3.4Å |
| 372 | L | 28.4 | Very low | 32.3 | Very low | 177 Ų | 177 | 122 Ų | 122 | 93% | 0.927 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 7.9 | -174.7 | -69.5 | 168.6 | 0 | 0 | 0 | 114.7 | S370 | S370-L372 PolarHBondContact O-N 3.33Š|
| 373 | S | 27 | Very low | 32.5 | Very low | 89 Ų | 89 | 117.3 Ų | 117.3 | 62% | 0.622 | 65% | 0.649 | S | S | * | * | trans | -132.6 | 20.5 | 176.7 | 87.9 | 0 | 0 | 0 | 0 | 116.4 | S375 | S373-S375 PolarHBondContact O-N 3.15Å; S373-S375 VanDerWaalsContact O-N 3.08Å | ||
| 374 | M | 27.1 | Very low | 32.8 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 61% | 0.606 | 66% | 0.656 | S | S | * | * | trans | -79.5 | 94.5 | 171.6 | -74.5 | -175 | 68.3 | 0 | 0 | 110.1 | ||||
| 375 | S | 27.9 | Very low | 34 | Very low | 102 Ų | 102 | 124.6 Ų | 124.6 | 71% | 0.713 | 68% | 0.675 | S | S | * | * | trans | -50.9 | 135 | 159 | 50.8 | 0 | 0 | 0 | 0 | 109.9 | S373 G377 | S373-S375 PolarHBondContact O-N 3.15Å; S373-S375 VanDerWaalsContact O-N 3.08Å; S375-G377 PolarHBondContact O-N 2.98Å | ||
| 376 | Q | 27.9 | Very low | 35.6 | Very low | 202 Ų | 202 | 121.3 Ų | 121.3 | 94% | 0.944 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -37.7 | 98.8 | 173.2 | -67.8 | 172.8 | -17.1 | 0 | 0 | 112.3 | ||
| 377 | G | 25.3 | Very low | 37.4 | Very low | 47 Ų | 47 | 122 Ų | 122 | 49% | 0.485 | 66% | 0.663 | S | S | . | * | S | Bend | trans | 168.4 | 111 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S375 | S375-G377 PolarHBondContact O-N 2.98Š|
| 378 | N | 27.8 | Very low | 39.3 | Very low | 138 Ų | 138 | 113.2 Ų | 113.2 | 74% | 0.738 | 64% | 0.641 | S | S | * | * | trans | 76 | 50.2 | 170.1 | -60.7 | -2.9 | 0 | 0 | 0 | 118.6 | A380 | N378-A380 PolarHBondContact O-N 3.28Š| ||
| 379 | L | 32.9 | Very low | 41.4 | Very low | 118 Ų | 118 | 115.2 Ų | 115.2 | 62% | 0.618 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | 9.9 | 166.7 | -98 | 130.1 | 0 | 0 | 0 | 114.8 | ||
| 380 | A | 35.2 | Very low | 43.7 | Very low | 100 Ų | 100 | 114.5 Ų | 114.5 | 83% | 0.826 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | -2.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | N378 | N378-A380 PolarHBondContact O-N 3.28Š|
| 381 | E | 37.6 | Very low | 45.9 | Very low | 158 Ų | 158 | 114 Ų | 114 | 74% | 0.738 | 63% | 0.629 | S | S | * | * | trans | -113.6 | 7.1 | -170.2 | -75.7 | -176.2 | 165.5 | 0 | 0 | 115.5 | G383 | E381-G383 PolarHBondContact O-N 3.33Š| ||
| 382 | T | 42.5 | Very low | 47.6 | Very low | 109 Ų | 109 | 107.5 Ų | 107.5 | 67% | 0.669 | 60% | 0.603 | S | S | * | * | trans | -97 | 97.2 | -179 | 58.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 383 | G | 52.2 | Low | 49.8 | Very low | 51 Ų | 51 | 103 Ų | 103 | 53% | 0.526 | 59% | 0.585 | S | S | . | * | trans | -65.1 | 176.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E381 V385 | E381-G383 PolarHBondContact O-N 3.33Å; G383-V385 PolarHBondContact O-N 3.29Å | ||
| 384 | R | 52.1 | Low | 52.2 | Low | 153 Ų | 153 | 100.4 Ų | 100.4 | 58% | 0.577 | 56% | 0.561 | S | S | * | * | trans | -57.4 | 127 | 176.2 | -75.9 | 178.7 | 168.9 | 177.4 | -4.8 | 110.6 | M642 | R384-M642 VanDerWaalsContact NH2-CE 3.29Å; R384-M642 PolarHBondContact NH2-SD 2.88Å | ||
| 385 | V | 61.7 | Low | 54.6 | Low | 120 Ų | 120 | 97.1 Ų | 97.1 | 73% | 0.727 | 55% | 0.55 | S | S | * | . | trans | -97 | 124.7 | 173.8 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | G383 L387 | G383-V385 PolarHBondContact O-N 3.29Å; V385-L387 PolarHBondContact O-N 3.11Å | ||
| 386 | R | 63.1 | Low | 56.6 | Low | 143 Ų | 143 | 94.9 Ų | 94.9 | 54% | 0.54 | 54% | 0.538 | S | S | . | . | trans | -78.7 | 114.1 | 174 | -174.7 | 167.9 | 176.6 | 175.9 | -12.3 | 109.6 | H192 R389 | H192-R386 PolarHBondContact CE1-NH1 3Å; H192-R386 PolarHBondContact ND1-NH1 2.9Å; R386-R389 VanDerWaalsContact NH2-CZ 3.31Å | ||
| 387 | L | 70.3 | Confident | 58.8 | Low | 74 Ų | 74 | 86.6 Ų | 86.6 | 39% | 0.387 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -75.2 | 164.4 | 172.4 | -54.9 | -175.5 | 0 | 0 | 0 | 110.7 | V385 W433 | V385-L387 PolarHBondContact O-N 3.11Å; L387-W433 HydrophobicContact CD1-CD2 4.28Å; L387-W433 HydrophobicContact CD1-CE3 4.48Å; L387-W433 HydrophobicContact CD1-CH2 4.33Å; L387-W433 HydrophobicContact CD1-CZ2 4.16Å; L387-W433 HydrophobicContact CD1-CZ3 4.48Å; L387-W433 HydrophobicContact CD2-CH2 4.01Å; L387-W433 HydrophobicContact CD2-CZ2 3.6Å; L387-W433 HydrophobicContact CG-CZ2 4.37Å |
| 388 | A | 70.9 | Confident | 61.6 | Low | 51 Ų | 51 | 84.5 Ų | 84.5 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 146.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | G439 W441 | A388-G439 WeakPolarHBondContact CB-O 3.35Å; A388-W441 VanDerWaalsContact O-CD1 3.27Å; A388-W441 PolarHBondContact O-NE1 3.31Å |
| 389 | R | 73.2 | Confident | 64.5 | Low | 134 Ų | 134 | 80.7 Ų | 80.7 | 51% | 0.506 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 138.8 | 174.4 | -71.5 | 179.2 | 167.9 | 165.1 | -2.2 | 109 | S242 E243 R386 W441 | S242-R389 PolarHBondContact O-NH1 2.88Å; E243-R389 PolarHBondContact O-NH1 3.44Å; R386-R389 VanDerWaalsContact NH2-CZ 3.31Å; R389-W441 VanDerWaalsContact O-CD1 3.29Å |
| 390 | M | 76.1 | Confident | 67.3 | Low | 63 Ų | 63 | 75.8 Ų | 75.8 | 31% | 0.31 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 150.9 | 164.3 | -73.4 | -179.5 | -69.6 | 0 | 0 | 109.6 | T392 R394 V408 E431 W441 | M390-T392 VanDerWaalsContact C-N 3.28Å; M390-T392 PolarHBondContact O-N 3.32Å; M390-R394 HydrophobicContact CE-CG 3.77Å; M390-R394 HydrophobicContact SD-CG 4.1Å; M390-V408 HydrophobicContact SD-CB 4.08Å; M390-V408 HydrophobicContact SD-CG1 4.03Å; M390-V408 HydrophobicContact SD-CG2 3.95Å; M390-E431 WeakPolarHBondContact CA-OE2 3.44Å; M390-W441 HydrophobicContact CG-CD2 3.61Å; M390-W441 VanDerWaalsContact CG-CE2 3.49Å; M390-W441 HydrophobicContact CG-CE3 3.89Å; M390-W441 HydrophobicContact CG-CG 4.19Å; M390-W441 HydrophobicContact CG-CH2 3.94Å; M390-W441 HydrophobicContact CG-CZ2 3.68Å; M390-W441 HydrophobicContact CG-CZ3 4.05Å; M390-W441 HydrophobicContact SD-CH2 4.1Å; M390-W441 HydrophobicContact SD-CZ2 4.31Å; M390-W441 HydrophobicContact SD-CZ3 4.27Å |
| 391 | A | 73.2 | Confident | 70 | Confident | 69 Ų | 69 | 75 Ų | 75 | 57% | 0.57 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -68.5 | -29.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.2 | E431 F443 | A391-E431 PolarHBondContact N-OE2 3.49Å; A391-F443 HydrophobicContact CB-CE2 3.87Å; A391-F443 HydrophobicContact CB-CZ 3.66Å |
| 392 | T | 68.2 | Low | 72.5 | Confident | 36 Ų | 36 | 67.5 Ų | 67.5 | 22% | 0.221 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -124.8 | 122.6 | 177.7 | -54.5 | 0 | 0 | 0 | 0 | 110.5 | M390 S413 L427 E431 | M390-T392 VanDerWaalsContact C-N 3.28Å; M390-T392 PolarHBondContact O-N 3.32Å; T392-S413 WeakPolarHBondContact CG2-OG 3.33Å; T392-L427 HydrophobicContact CG2-CD1 3.82Å; T392-L427 HydrophobicContact CG2-CD2 4.3Å; T392-E431 PolarHBondContact N-OE1 3.09Å |
| 393 | P | 72.7 | Confident | 74.7 | Confident | 82 Ų | 82 | 65.7 Ų | 65.7 | 53% | 0.532 | 38% | 0.376 | S | S | . | . | trans | -67.7 | 138 | 174.3 | 31 | -35.3 | 0 | 0 | 0 | 109.5 | S413 V415 | P393-S413 WeakPolarHBondContact O-CB 3.38Å; P393-S413 PolarHBondContact O-OG 2.99Å; P393-V415 HydrophobicContact CG-CG2 3.19Å | ||
| 394 | R | 77.9 | Confident | 76.3 | Confident | 36 Ų | 36 | 70 Ų | 70 | 14% | 0.136 | 39% | 0.387 | C | S | . | . | trans | -151.3 | 139.8 | -164.8 | 69.9 | 171.9 | 63 | -139.8 | 6.8 | 111 | M390 V408 G410 S411 I412 L427 S429 E431 | M390-R394 HydrophobicContact CE-CG 3.77Å; M390-R394 HydrophobicContact SD-CG 4.1Å; R394-V408 HydrophobicContact CG-CG1 4.46Å; R394-G410 PolarHBondContact NH1-O 3.3Å; R394-S411 VanDerWaalsContact C-OG 3.25Å; R394-S411 WeakPolarHBondContact CA-OG 3.44Å; R394-S411 WeakPolarHBondContact CB-OG 3.35Å; R394-I412 WeakPolarHBondContact CA-O 3.43Å; R394-L427 HydrophobicContact CB-CD1 4.02Å; R394-S429 PolarHBondContact NH1-O 3.45Å; R394-S429 PolarHBondContact NH2-OG 3.18Å; R394-E431 IonicContact CZ-OE1 3.53Å; R394-E431 IonicContact NE-OE1 3.78Å; R394-E431 IonicContact NH2-OE1 2.89Å; R394-E431 PolarHBondContact NH2-OE1 2.89Å | ||
| 395 | C | 78.3 | Confident | 78 | Confident | 53 Ų | 53 | 65.8 Ų | 65.8 | 36% | 0.358 | 37% | 0.371 | S | S | . | . | B | Isolated β-bridge | trans | -130.3 | 153.6 | 174 | 73.5 | 0 | 0 | 0 | 0 | 113 | G397 S411 I412 F414 | C395-G397 PolarHBondContact O-N 3.28Å; C395-S411 WeakPolarHBondContact CA-OG 3.4Å; C395-S411 PolarHBondContact N-OG 3.49Å; C395-S411 WeakPolarHBondContact O-CB 3.44Å; C395-S411 PolarHBondContact O-OG 2.63Å; C395-I412 PolarHBondContact N-O 3.4Å; C395-I412 PolarHBondContact O-N 3.18Å; C395-F414 WeakPolarHBondContact SG-CE2 3.41Å |
| 396 | A | 69.6 | Low | 79.4 | Confident | 56 Ų | 56 | 62 Ų | 62 | 46% | 0.463 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 59.2 | 29.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | S453 | A396-S453 PolarHBondContact O-N 2.79Š|
| 397 | G | 74.2 | Confident | 80.8 | Confident | 27 Ų | 27 | 55.2 Ų | 55.2 | 28% | 0.278 | 32% | 0.321 | S | S | . | . | trans | -87.7 | 163.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | C395 | C395-G397 PolarHBondContact O-N 3.28Š| ||
| 398 | G | 83.6 | Confident | 81.8 | Confident | 3 Ų | 3 | 52 Ų | 52 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 139.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V408 V409 | G398-V408 CarbonylContact O-C 3.56Å; G398-V408 WeakPolarHBondContact O-CA 3.37Å; G398-V409 PolarHBondContact N-O 3.35Å; G398-V409 PolarHBondContact O-N 3.08Å |
| 399 | V | 89.8 | Confident | 82.8 | Confident | 59 Ų | 59 | 49.6 Ų | 49.6 | 36% | 0.358 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 124.8 | 175.6 | -175.5 | 0 | 0 | 0 | 0 | 108.8 | L406 I407 V408 R602 | V399-L406 HydrophobicContact CG1-CD1 3.51Å; V399-L406 HydrophobicContact CG1-CG 4.18Å; V399-I407 WeakPolarHBondContact CA-O 3.46Å; V399-V408 HydrophobicContact CG1-CG2 4.28Å; V399-V408 HydrophobicContact CG2-CG1 4.15Å; V399-V408 HydrophobicContact CG2-CG2 4.16Å; V399-R602 PolarHBondContact O-NH2 3.39Å |
| 400 | V | 91.9 | Very high | 83.1 | Confident | 14 Ų | 14 | 43.2 Ų | 43.2 | 9% | 0.085 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 164.4 | -179.4 | -67.4 | 0 | 0 | 0 | 0 | 111.3 | I407 V456 T458 V463 | V400-I407 HydrophobicContact CG2-CB 4.17Å; V400-I407 PolarHBondContact N-O 3.33Å; V400-I407 PolarHBondContact O-N 3.2Å; V400-V456 HydrophobicContact CG1-CB 4.17Å; V400-V456 HydrophobicContact CG1-CG1 3.67Å; V400-V456 HydrophobicContact CG2-CG1 4.06Å; V400-T458 WeakPolarHBondContact CB-OG1 3.42Å; V400-V463 HydrophobicContact CG2-CB 4.31Å; V400-V463 HydrophobicContact CG2-CG1 3.73Å; V400-V463 HydrophobicContact CG2-CG2 3.63Å |
| 401 | V | 91.2 | Very high | 83.1 | Confident | 84 Ų | 84 | 40.2 Ų | 40.2 | 51% | 0.509 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 131.4 | 169.5 | 179.2 | 0 | 0 | 0 | 0 | 108.3 | R405 L406 T458 | V401-R405 VanDerWaalsContact CA-O 3.28Å; V401-R405 WeakPolarHBondContact CA-O 3.49Å; V401-L406 HydrophobicContact CG2-CD1 4.1Å; V401-T458 WeakPolarHBondContact O-CB 3.39Å; V401-T458 WeakPolarHBondContact O-CG2 3.49Å; V401-T458 PolarHBondContact O-OG1 3.21Å |
| 402 | A | 90.3 | Very high | 82.8 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 134.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | D404 R405 I407 T458 V463 P483 | A402-D404 VanDerWaalsContact C-N 3.28Å; A402-D404 PolarHBondContact O-N 2.95Å; A402-R405 PolarHBondContact N-O 3.39Å; A402-R405 WeakPolarHBondContact O-CB 3.41Å; A402-R405 PolarHBondContact O-N 3.24Å; A402-I407 HydrophobicContact CB-CD1 3.96Å; A402-T458 HydrophobicContact CB-CG2 3.9Å; A402-V463 HydrophobicContact CB-CG2 3.82Å; A402-P483 HydrophobicContact CB-CG 4.16Å |
| 403 | M | 88.4 | Confident | 82.5 | Confident | 70 Ų | 70 | 37.8 Ų | 37.8 | 35% | 0.345 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49 | 47.3 | -174.1 | -55.2 | -172.5 | 176.3 | 0 | 0 | 113.1 | R405 D461 P483 | M403-R405 WeakPolarHBondContact O-CD 3.35Å; M403-R405 WeakPolarHBondContact O-CG 3.27Å; M403-R405 PolarHBondContact O-N 2.83Å; M403-D461 HydrophobicContact CE-CB 3.86Å; M403-D461 HydrophobicContact CG-CB 3.73Å; M403-D461 PolarHBondContact N-OD1 3.37Å; M403-D461 VanDerWaalsContact N-OD1 3.11Å; M403-P483 HydrophobicContact CE-CB 4.5Å; M403-P483 HydrophobicContact SD-CB 3.92Å |
| 404 | D | 85.5 | Confident | 81.8 | Confident | 142 Ų | 142 | 39.9 Ų | 39.9 | 76% | 0.759 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 19.5 | -178.1 | -59.9 | -34.4 | 0 | 0 | 0 | 115.6 | A402 P435 | A402-D404 VanDerWaalsContact C-N 3.28Å; A402-D404 PolarHBondContact O-N 2.95Å; D404-P435 VanDerWaalsContact O-CD 3.24Å; D404-P435 WeakPolarHBondContact O-CD 3.4Å; D404-P435 VanDerWaalsContact O-CG 3.27Å; D404-P435 WeakPolarHBondContact O-CG 3.32Å |
| 405 | R | 87.8 | Confident | 80.4 | Confident | 64 Ų | 64 | 42.8 Ų | 42.8 | 24% | 0.242 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 138.8 | 178.6 | -67.8 | 145 | 161.4 | -163.8 | 7.9 | 110.3 | V401 A402 M403 Q432 W433 D434 | V401-R405 VanDerWaalsContact CA-O 3.28Å; V401-R405 WeakPolarHBondContact CA-O 3.49Å; A402-R405 PolarHBondContact N-O 3.39Å; A402-R405 WeakPolarHBondContact O-CB 3.41Å; A402-R405 PolarHBondContact O-N 3.24Å; M403-R405 WeakPolarHBondContact O-CD 3.35Å; M403-R405 WeakPolarHBondContact O-CG 3.27Å; M403-R405 PolarHBondContact O-N 2.83Å; R405-Q432 HydrophobicContact CB-CG 3.84Å; R405-Q432 HydrophobicContact CG-CG 4.32Å; R405-Q432 VanDerWaalsContact NE-NE2 3.13Å; R405-W433 WeakPolarHBondContact CA-O 3.1Å; R405-D434 HydrophobicContact CG-CB 4.1Å; R405-D434 IonicContact CZ-OD2 3.72Å; R405-D434 VanDerWaalsContact CZ-OD2 3.27Å; R405-D434 IonicContact NE-OD2 3.81Å; R405-D434 PolarHBondContact NE-OD2 3.19Å; R405-D434 IonicContact NH2-OD2 3Å; R405-D434 PolarHBondContact NH2-OD2 3.08Å |
| 406 | L | 91.3 | Very high | 78.5 | Confident | 42 Ų | 42 | 46.6 Ų | 46.6 | 22% | 0.22 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 125.7 | 171.6 | -174.8 | 73 | 0 | 0 | 0 | 108.1 | V399 V401 Q432 W433 W441 | V399-L406 HydrophobicContact CG1-CD1 3.51Å; V399-L406 HydrophobicContact CG1-CG 4.18Å; V401-L406 HydrophobicContact CG2-CD1 4.1Å; L406-Q432 CarbonylContact O-C 3.6Å; L406-Q432 WeakPolarHBondContact O-CA 3.34Å; L406-W433 HydrophobicContact CB-CB 4.18Å; L406-W433 HydrophobicContact CB-CE3 4.11Å; L406-W433 PolarHBondContact N-O 3.23Å; L406-W433 PolarHBondContact O-N 3.23Å; L406-W441 HydrophobicContact CD2-CH2 3.66Å; L406-W441 HydrophobicContact CD2-CZ2 4.12Å; L406-W441 HydrophobicContact CG-CH2 4.21Å |
| 407 | I | 92.2 | Very high | 77 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 128 | -178.9 | -59.4 | 173.1 | 0 | 0 | 0 | 108.2 | V399 V400 A402 V409 V430 Q432 V463 Y481 P483 | V399-I407 WeakPolarHBondContact CA-O 3.46Å; V400-I407 HydrophobicContact CG2-CB 4.17Å; V400-I407 PolarHBondContact N-O 3.33Å; V400-I407 PolarHBondContact O-N 3.2Å; A402-I407 HydrophobicContact CB-CD1 3.96Å; I407-V409 HydrophobicContact CG2-CG2 3.82Å; I407-V430 HydrophobicContact CG2-CG1 3.63Å; I407-Q432 HydrophobicContact CG1-CB 4.43Å; I407-Q432 HydrophobicContact CG1-CG 4.05Å; I407-V463 HydrophobicContact CD1-CG2 3.81Å; I407-Y481 HydrophobicContact CD1-CD1 4.4Å; I407-Y481 HydrophobicContact CD1-CE1 4.05Å; I407-P483 HydrophobicContact CD1-CG 4.17Å |
| 408 | V | 92 | Very high | 75.1 | Confident | 7 Ų | 7 | 56.9 Ų | 56.9 | 4% | 0.042 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 121 | 178.1 | -171.7 | 0 | 0 | 0 | 0 | 109.4 | M390 R394 G398 V399 V430 E431 W441 | M390-V408 HydrophobicContact SD-CB 4.08Å; M390-V408 HydrophobicContact SD-CG1 4.03Å; M390-V408 HydrophobicContact SD-CG2 3.95Å; R394-V408 HydrophobicContact CG-CG1 4.46Å; G398-V408 CarbonylContact O-C 3.56Å; G398-V408 WeakPolarHBondContact O-CA 3.37Å; V399-V408 HydrophobicContact CG1-CG2 4.28Å; V399-V408 HydrophobicContact CG2-CG1 4.15Å; V399-V408 HydrophobicContact CG2-CG2 4.16Å; V408-V430 WeakPolarHBondContact O-CA 3.23Å; V408-V430 WeakPolarHBondContact O-CG1 3.41Å; V408-E431 PolarHBondContact N-O 3.45Å; V408-E431 PolarHBondContact O-N 3.44Å; V408-W441 HydrophobicContact CB-CZ3 4.29Å; V408-W441 HydrophobicContact CG2-CH2 3.48Å; V408-W441 VanDerWaalsContact CG2-CH2 3.48Å; V408-W441 HydrophobicContact CG2-CZ3 3.57Å |
| 409 | V | 91.6 | Very high | 72.7 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 131 | -165.3 | -178.1 | 0 | 0 | 0 | 0 | 111 | G398 I407 V430 L447 M454 V456 V463 W488 | G398-V409 PolarHBondContact N-O 3.35Å; G398-V409 PolarHBondContact O-N 3.08Å; I407-V409 HydrophobicContact CG2-CG2 3.82Å; V409-V430 HydrophobicContact CG1-CG2 4.35Å; V409-V430 HydrophobicContact CG2-CG1 4.07Å; V409-L447 HydrophobicContact CG1-CD1 3.86Å; V409-L447 HydrophobicContact CG1-CD2 4.08Å; V409-L447 HydrophobicContact CG1-CG 4.2Å; V409-M454 HydrophobicContact CG1-SD 4.08Å; V409-V456 HydrophobicContact CB-CG1 4.45Å; V409-V456 HydrophobicContact CB-CG2 4.3Å; V409-V456 HydrophobicContact CG1-CG2 4.46Å; V409-V456 HydrophobicContact CG2-CG1 4.14Å; V409-V463 HydrophobicContact CG2-CG1 4.16Å; V409-W488 HydrophobicContact CG1-CH2 3.92Å; V409-W488 HydrophobicContact CG1-CZ2 4.09Å; V409-W488 HydrophobicContact CG2-CH2 4.44Å |
| 410 | G | 80.3 | Confident | 69.9 | Low | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | 56.9 | -156.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R394 L427 S429 | R394-G410 PolarHBondContact NH1-O 3.3Å; G410-L427 WeakPolarHBondContact CA-O 3.27Å; G410-S429 PolarHBondContact N-O 3.06Å | ||
| 411 | S | 76.3 | Confident | 66.9 | Low | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 38% | 0.381 | C | S | . | . | trans | 127.9 | 175.7 | 171.3 | -179.7 | 0 | 0 | 0 | 0 | 113.1 | R394 C395 D426 L427 R451 | R394-S411 VanDerWaalsContact C-OG 3.25Å; R394-S411 WeakPolarHBondContact CA-OG 3.44Å; R394-S411 WeakPolarHBondContact CB-OG 3.35Å; C395-S411 WeakPolarHBondContact CA-OG 3.4Å; C395-S411 PolarHBondContact N-OG 3.49Å; C395-S411 WeakPolarHBondContact O-CB 3.44Å; C395-S411 PolarHBondContact O-OG 2.63Å; S411-D426 CarbonylContact O-C 3.48Å; S411-D426 WeakPolarHBondContact O-CA 3.3Å; S411-L427 PolarHBondContact O-N 2.89Å; S411-R451 PolarHBondContact N-O 2.97Å | ||
| 412 | I | 66.5 | Low | 64.1 | Low | 47 Ų | 47 | 72 Ų | 72 | 24% | 0.241 | 40% | 0.396 | C | S | . | . | B | Isolated β-bridge | trans | -98.6 | 136 | 165.7 | -58.1 | 172.2 | 0 | 0 | 0 | 109.4 | R394 C395 F414 A425 | R394-I412 WeakPolarHBondContact CA-O 3.43Å; C395-I412 PolarHBondContact N-O 3.4Å; C395-I412 PolarHBondContact O-N 3.18Å; I412-F414 HydrophobicContact CG2-CE1 4.26Å; I412-F414 HydrophobicContact CG2-CZ 4.26Å; I412-A425 WeakPolarHBondContact CA-O 3.43Å |
| 413 | S | 62 | Low | 61.5 | Low | 6 Ų | 6 | 74.7 Ų | 74.7 | 4% | 0.042 | 42% | 0.424 | C | S | . | . | trans | -114.9 | 121.7 | 172.7 | -164.2 | 0 | 0 | 0 | 0 | 112.1 | T392 P393 V415 A425 | T392-S413 WeakPolarHBondContact CG2-OG 3.33Å; P393-S413 WeakPolarHBondContact O-CB 3.38Å; P393-S413 PolarHBondContact O-OG 2.99Å; S413-V415 VanDerWaalsContact C-N 3.29Å; S413-V415 PolarHBondContact O-N 2.84Å; S413-V415 WeakPolarHBondContact OG-CG2 3.4Å; S413-A425 PolarHBondContact N-O 3.09Å; S413-A425 WeakPolarHBondContact O-CB 3.36Å | ||
| 414 | F | 58 | Low | 59.7 | Low | 127 Ų | 127 | 74.6 Ų | 74.6 | 56% | 0.557 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -81.3 | -3.6 | 179.9 | -64.5 | -73.7 | 0 | 0 | 0 | 114.6 | C395 I412 N416 W417 | C395-F414 WeakPolarHBondContact SG-CE2 3.41Å; I412-F414 HydrophobicContact CG2-CE1 4.26Å; I412-F414 HydrophobicContact CG2-CZ 4.26Å; F414-N416 PolarHBondContact O-N 3.4Å; F414-N416 VanDerWaalsContact O-N 3.15Å; F414-W417 HydrophobicContact CD1-CE3 4.1Å; F414-W417 HydrophobicContact CE1-CE3 4.37Å; F414-W417 HydrophobicContact CE1-CZ3 4.48Å; F414-W417 WeakPolarHBondContact O-CB 3.08Å; F414-W417 PolarHBondContact O-N 2.7Å; F414-W417 VanDerWaalsContact O-N 3.08Å |
| 415 | V | 48.7 | Very low | 58.8 | Low | 97 Ų | 97 | 68.9 Ų | 68.9 | 59% | 0.588 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -66.4 | -20.4 | -173.5 | -156.1 | 0 | 0 | 0 | 0 | 112.7 | P393 S413 | P393-V415 HydrophobicContact CG-CG2 3.19Å; S413-V415 VanDerWaalsContact C-N 3.29Å; S413-V415 PolarHBondContact O-N 2.84Å; S413-V415 WeakPolarHBondContact OG-CG2 3.4Å |
| 416 | N | 38 | Very low | 58.2 | Low | 133 Ų | 133 | 66.8 Ų | 66.8 | 71% | 0.711 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -104.5 | 13.4 | 177.4 | -67 | -19.9 | 0 | 0 | 0 | 113.5 | F414 S418 | F414-N416 PolarHBondContact O-N 3.4Å; F414-N416 VanDerWaalsContact O-N 3.15Å; N416-S418 VanDerWaalsContact C-N 3.33Å; N416-S418 PolarHBondContact O-N 3.44Å |
| 417 | W | 37 | Very low | 57.7 | Low | 187 Ų | 187 | 66.1 Ų | 66.1 | 71% | 0.708 | 39% | 0.393 | S | S | * | . | trans | -75.1 | 83.9 | 176.3 | -167.9 | -71.7 | 0 | 0 | 0 | 110.5 | F414 G419 | F414-W417 HydrophobicContact CD1-CE3 4.1Å; F414-W417 HydrophobicContact CE1-CE3 4.37Å; F414-W417 HydrophobicContact CE1-CZ3 4.48Å; F414-W417 WeakPolarHBondContact O-CB 3.08Å; F414-W417 PolarHBondContact O-N 2.7Å; F414-W417 VanDerWaalsContact O-N 3.08Å; W417-G419 PolarHBondContact O-N 2.82Å | ||
| 418 | S | 35.8 | Very low | 57.6 | Low | 111 Ų | 111 | 67.6 Ų | 67.6 | 78% | 0.776 | 40% | 0.404 | S | S | * | . | trans | -95.4 | 52.7 | 170.5 | 52.4 | 0 | 0 | 0 | 0 | 111.6 | N416 G420 | N416-S418 VanDerWaalsContact C-N 3.33Å; N416-S418 PolarHBondContact O-N 3.44Å; S418-G420 PolarHBondContact O-N 3.34Å | ||
| 419 | G | 32.8 | Very low | 57.5 | Low | 70 Ų | 70 | 68.4 Ų | 68.4 | 72% | 0.722 | 41% | 0.411 | S | S | * | . | S | Bend | trans | 56.9 | 11.8 | 159 | 0 | 0 | 0 | 0 | 0 | 119.6 | W417 | W417-G419 PolarHBondContact O-N 2.82Š|
| 420 | G | 29.6 | Very low | 57.6 | Low | 51 Ų | 51 | 68.5 Ų | 68.5 | 53% | 0.526 | 41% | 0.411 | S | S | . | . | trans | -111.7 | 145.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S418 D422 | S418-G420 PolarHBondContact O-N 3.34Å; G420-D422 PolarHBondContact O-N 2.68Å | ||
| 421 | M | 29.2 | Very low | 58.1 | Low | 202 Ų | 202 | 68.5 Ų | 68.5 | 100% | 0.995 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 20.1 | -164.5 | -78.1 | 170 | 121.5 | 0 | 0 | 117.6 | ||
| 422 | D | 34.1 | Very low | 58.8 | Low | 154 Ų | 154 | 68.6 Ų | 68.6 | 82% | 0.824 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.3 | 6.1 | -168.3 | 12.4 | 1.5 | 0 | 0 | 0 | 115.8 | G420 S424 | G420-D422 PolarHBondContact O-N 2.68Å; D422-S424 PolarHBondContact O-N 2.84Å |
| 423 | G | 35.6 | Very low | 59.8 | Low | 58 Ų | 58 | 68.5 Ų | 68.5 | 60% | 0.598 | 41% | 0.408 | S | S | * | . | trans | -96.5 | 77.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A425 | G423-A425 PolarHBondContact O-N 3.24Š| ||
| 424 | S | 50.2 | Low | 60.5 | Low | 68 Ų | 68 | 68.7 Ų | 68.7 | 48% | 0.476 | 41% | 0.409 | S | S | . | . | trans | -65.6 | 107.4 | 169.5 | 66 | 0 | 0 | 0 | 0 | 109.6 | D422 D426 | D422-S424 PolarHBondContact O-N 2.84Å; S424-D426 WeakPolarHBondContact CB-OD2 3.35Å; S424-D426 PolarHBondContact O-N 2.82Å; S424-D426 VanDerWaalsContact O-N 3.12Å | ||
| 425 | A | 65.3 | Low | 61.2 | Low | 22 Ų | 22 | 65.3 Ų | 65.3 | 18% | 0.182 | 40% | 0.4 | C | S | . | . | trans | -86.8 | 37.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I412 S413 G423 | I412-A425 WeakPolarHBondContact CA-O 3.43Å; S413-A425 PolarHBondContact N-O 3.09Å; S413-A425 WeakPolarHBondContact O-CB 3.36Å; G423-A425 PolarHBondContact O-N 3.24Å | ||
| 426 | D | 76.1 | Confident | 62.3 | Low | 21 Ų | 21 | 64.3 Ų | 64.3 | 11% | 0.112 | 40% | 0.397 | C | S | . | . | B | Isolated β-bridge | trans | -68.7 | 135.6 | 173 | -64.3 | -75.2 | 0 | 0 | 0 | 109.7 | S411 S424 A450 S452 G471 | S411-D426 CarbonylContact O-C 3.48Å; S411-D426 WeakPolarHBondContact O-CA 3.3Å; S424-D426 WeakPolarHBondContact CB-OD2 3.35Å; S424-D426 PolarHBondContact O-N 2.82Å; S424-D426 VanDerWaalsContact O-N 3.12Å; D426-A450 HydrophobicContact CB-CB 4.04Å; D426-A450 WeakPolarHBondContact O-CB 3.47Å; D426-S452 WeakPolarHBondContact OD1-CB 3.37Å; D426-S452 PolarHBondContact OD1-OG 3.3Å; D426-G471 WeakPolarHBondContact OD2-CA 3.36Å; D426-G471 PolarHBondContact OD2-N 2.99Å |
| 427 | L | 81 | Confident | 63.3 | Low | 28 Ų | 28 | 61 Ų | 61 | 15% | 0.147 | 38% | 0.38 | C | S | . | . | trans | -98.4 | 135.4 | -177.2 | -64.2 | -179.3 | 0 | 0 | 0 | 110.3 | T392 R394 G410 S411 R451 | T392-L427 HydrophobicContact CG2-CD1 3.82Å; T392-L427 HydrophobicContact CG2-CD2 4.3Å; R394-L427 HydrophobicContact CB-CD1 4.02Å; G410-L427 WeakPolarHBondContact CA-O 3.27Å; S411-L427 PolarHBondContact O-N 2.89Å; L427-R451 PolarHBondContact O-N 2.64Å | ||
| 428 | A | 90 | Very high | 64.2 | Low | 30 Ų | 30 | 59.3 Ų | 59.3 | 25% | 0.248 | 37% | 0.374 | C | S | . | . | trans | -89 | -12.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | P446 L447 A450 | A428-P446 HydrophobicContact CB-CB 4.39Å; A428-P446 CarbonylContact O-C 3.56Å; A428-P446 VanDerWaalsContact O-CA 3.3Å; A428-P446 WeakPolarHBondContact O-CA 3.35Å; A428-P446 WeakPolarHBondContact O-CB 3.1Å; A428-L447 HydrophobicContact CB-CB 4.43Å; A428-L447 PolarHBondContact O-N 3.37Å; A428-A450 HydrophobicContact CB-CB 4.15Å | ||
| 429 | S | 90.3 | Very high | 65.5 | Low | 25 Ų | 25 | 54.6 Ų | 54.6 | 18% | 0.175 | 34% | 0.343 | C | S | . | . | trans | -70.5 | 139.1 | -172.1 | 63.9 | 0 | 0 | 0 | 0 | 112.1 | R394 G410 | R394-S429 PolarHBondContact NH1-O 3.45Å; R394-S429 PolarHBondContact NH2-OG 3.18Å; G410-S429 PolarHBondContact N-O 3.06Å | ||
| 430 | V | 92.1 | Very high | 67.3 | Low | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 128.1 | 174.9 | -174.5 | 0 | 0 | 0 | 0 | 107.2 | I407 V408 V409 F443 V444 L447 W488 | I407-V430 HydrophobicContact CG2-CG1 3.63Å; V408-V430 WeakPolarHBondContact O-CA 3.23Å; V408-V430 WeakPolarHBondContact O-CG1 3.41Å; V409-V430 HydrophobicContact CG1-CG2 4.35Å; V409-V430 HydrophobicContact CG2-CG1 4.07Å; V430-F443 WeakPolarHBondContact O-CA 3.41Å; V430-V444 HydrophobicContact CB-CG2 3.63Å; V430-V444 HydrophobicContact CG1-CG2 3.36Å; V430-V444 PolarHBondContact O-N 3.26Å; V430-L447 HydrophobicContact CG2-CG 4.2Å; V430-W488 HydrophobicContact CG2-CZ2 3.9Å |
| 431 | E | 91 | Very high | 69.8 | Low | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 134.5 | 178.6 | -68.1 | -176.8 | -114.4 | 0 | 0 | 109.1 | M390 A391 T392 R394 V408 W441 K442 F443 | M390-E431 WeakPolarHBondContact CA-OE2 3.44Å; A391-E431 PolarHBondContact N-OE2 3.49Å; T392-E431 PolarHBondContact N-OE1 3.09Å; R394-E431 IonicContact CZ-OE1 3.53Å; R394-E431 IonicContact NE-OE1 3.78Å; R394-E431 IonicContact NH2-OE1 2.89Å; R394-E431 PolarHBondContact NH2-OE1 2.89Å; V408-E431 PolarHBondContact N-O 3.45Å; V408-E431 PolarHBondContact O-N 3.44Å; E431-W441 HydrophobicContact CB-CE3 3.73Å; E431-W441 HydrophobicContact CB-CZ3 4.21Å; E431-K442 CarbonylContact C-O 3.51Å; E431-K442 WeakPolarHBondContact CA-O 3.45Å; E431-F443 HydrophobicContact CG-CD1 3.7Å; E431-F443 HydrophobicContact CG-CE1 3.54Å; E431-F443 HydrophobicContact CG-CZ 4.31Å |
| 432 | Q | 90.8 | Very high | 72.6 | Confident | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 128.9 | 177.3 | -177.8 | -168.7 | -56.1 | 0 | 0 | 109 | R405 L406 I407 W441 K442 V444 | R405-Q432 HydrophobicContact CB-CG 3.84Å; R405-Q432 HydrophobicContact CG-CG 4.32Å; R405-Q432 VanDerWaalsContact NE-NE2 3.13Å; L406-Q432 CarbonylContact O-C 3.6Å; L406-Q432 WeakPolarHBondContact O-CA 3.34Å; I407-Q432 HydrophobicContact CG1-CB 4.43Å; I407-Q432 HydrophobicContact CG1-CG 4.05Å; Q432-W441 WeakPolarHBondContact O-CA 3.4Å; Q432-K442 HydrophobicContact CB-CG 4.19Å; Q432-K442 VanDerWaalsContact CD-CE 3.48Å; Q432-K442 PolarHBondContact N-O 2.74Å; Q432-K442 PolarHBondContact O-N 2.82Å; Q432-V444 HydrophobicContact CB-CG1 3.63Å |
| 433 | W | 88.5 | Confident | 75.3 | Confident | 44 Ų | 44 | 45.3 Ų | 45.3 | 17% | 0.167 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 122.8 | 168.5 | -178.2 | 85.8 | 0 | 0 | 0 | 109.1 | L387 R405 L406 P435 G439 W441 | L387-W433 HydrophobicContact CD1-CD2 4.28Å; L387-W433 HydrophobicContact CD1-CE3 4.48Å; L387-W433 HydrophobicContact CD1-CH2 4.33Å; L387-W433 HydrophobicContact CD1-CZ2 4.16Å; L387-W433 HydrophobicContact CD1-CZ3 4.48Å; L387-W433 HydrophobicContact CD2-CH2 4.01Å; L387-W433 HydrophobicContact CD2-CZ2 3.6Å; L387-W433 HydrophobicContact CG-CZ2 4.37Å; R405-W433 WeakPolarHBondContact CA-O 3.1Å; L406-W433 HydrophobicContact CB-CB 4.18Å; L406-W433 HydrophobicContact CB-CE3 4.11Å; L406-W433 PolarHBondContact N-O 3.23Å; L406-W433 PolarHBondContact O-N 3.23Å; W433-P435 HydrophobicContact CE3-CB 4.42Å; W433-P435 HydrophobicContact CH2-CB 3.59Å; W433-P435 HydrophobicContact CH2-CG 4.48Å; W433-P435 HydrophobicContact CZ2-CB 4.43Å; W433-P435 HydrophobicContact CZ3-CB 3.59Å; W433-P435 HydrophobicContact CZ3-CG 3.99Å; W433-G439 PolarHBondContact NE1-O 3.1Å; W433-W441 HydrophobicContact CB-CD2 3.68Å; W433-W441 HydrophobicContact CB-CE3 3.59Å; W433-W441 HydrophobicContact CB-CG 4.42Å; W433-W441 HydrophobicContact CB-CH2 3.75Å; W433-W441 HydrophobicContact CB-CZ2 3.81Å; W433-W441 HydrophobicContact CB-CZ3 3.63Å; W433-W441 AromaticContact CD1-CD1 3.96Å; W433-W441 AromaticContact CD1-CE2 3.85Å; W433-W441 AromaticContact CD1-NE1 3.72Å; W433-W441 HydrophobicContact CG-CD2 4.31Å; W433-W441 HydrophobicContact CG-CZ2 4.24Å |
| 434 | D | 76.7 | Confident | 78 | Confident | 10 Ų | 10 | 43.2 Ų | 43.2 | 5% | 0.053 | 24% | 0.235 | C | C | . | . | trans | -109.4 | 112.8 | 179.4 | -171.6 | -24.3 | 0 | 0 | 0 | 109 | R405 S436 N437 G439 | R405-D434 HydrophobicContact CG-CB 4.1Å; R405-D434 IonicContact CZ-OD2 3.72Å; R405-D434 VanDerWaalsContact CZ-OD2 3.27Å; R405-D434 IonicContact NE-OD2 3.81Å; R405-D434 PolarHBondContact NE-OD2 3.19Å; R405-D434 IonicContact NH2-OD2 3Å; R405-D434 PolarHBondContact NH2-OD2 3.08Å; D434-S436 VanDerWaalsContact CG-OG 3.24Å; D434-S436 PolarHBondContact O-N 3.01Å; D434-S436 WeakPolarHBondContact OD1-CA 3.43Å; D434-S436 WeakPolarHBondContact OD1-CB 3.23Å; D434-S436 PolarHBondContact OD1-N 3.24Å; D434-S436 PolarHBondContact OD1-OG 3.01Å; D434-S436 PolarHBondContact OD2-OG 2.94Å; D434-N437 HydrophobicContact CB-CB 3.92Å; D434-N437 PolarHBondContact O-N 3.47Å; D434-G439 PolarHBondContact O-N 3.06Å | ||
| 435 | P | 72.1 | Confident | 80.2 | Confident | 57 Ų | 57 | 40.9 Ų | 40.9 | 37% | 0.37 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -25.6 | 178.6 | 22 | -30.2 | 0 | 0 | 0 | 112.5 | D404 W433 | D404-P435 VanDerWaalsContact O-CD 3.24Å; D404-P435 WeakPolarHBondContact O-CD 3.4Å; D404-P435 VanDerWaalsContact O-CG 3.27Å; D404-P435 WeakPolarHBondContact O-CG 3.32Å; W433-P435 HydrophobicContact CE3-CB 4.42Å; W433-P435 HydrophobicContact CH2-CB 3.59Å; W433-P435 HydrophobicContact CH2-CG 4.48Å; W433-P435 HydrophobicContact CZ2-CB 4.43Å; W433-P435 HydrophobicContact CZ3-CB 3.59Å; W433-P435 HydrophobicContact CZ3-CG 3.99Å |
| 436 | S | 72.7 | Confident | 81.5 | Confident | 75 Ų | 75 | 43.8 Ų | 43.8 | 52% | 0.524 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -22.6 | 177.8 | 72.8 | 0 | 0 | 0 | 0 | 113.1 | D434 | D434-S436 VanDerWaalsContact CG-OG 3.24Å; D434-S436 PolarHBondContact O-N 3.01Å; D434-S436 WeakPolarHBondContact OD1-CA 3.43Å; D434-S436 WeakPolarHBondContact OD1-CB 3.23Å; D434-S436 PolarHBondContact OD1-N 3.24Å; D434-S436 PolarHBondContact OD1-OG 3.01Å; D434-S436 PolarHBondContact OD2-OG 2.94Å |
| 437 | N | 59.3 | Low | 82.3 | Confident | 65 Ų | 65 | 43 Ų | 43 | 35% | 0.348 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 67 | -176.8 | -169.4 | 44.6 | 0 | 0 | 0 | 111.6 | D434 G439 S440 | D434-N437 HydrophobicContact CB-CB 3.92Å; D434-N437 PolarHBondContact O-N 3.47Å; N437-G439 PolarHBondContact O-N 2.98Å; N437-S440 PolarHBondContact ND2-OG 3.01Å; N437-S440 PolarHBondContact O-N 3.05Å; N437-S440 PolarHBondContact O-OG 2.81Å |
| 438 | Y | 54.5 | Low | 82.8 | Confident | 150 Ų | 150 | 46.3 Ų | 46.3 | 59% | 0.588 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 11.7 | 174.8 | -51.9 | -104.1 | 0 | 0 | 0 | 114.4 | P366 S440 | P366-Y438 HydrophobicContact CB-CD1 4.24Å; P366-Y438 HydrophobicContact CG-CD1 3.25Å; P366-Y438 HydrophobicContact CG-CD2 4.19Å; P366-Y438 HydrophobicContact CG-CE1 3.42Å; P366-Y438 VanDerWaalsContact CG-CE1 3.42Å; P366-Y438 HydrophobicContact CG-CE2 4.26Å; P366-Y438 HydrophobicContact CG-CG 3.64Å; Y438-S440 PolarHBondContact O-N 3.44Å |
| 439 | G | 64 | Low | 82.6 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 12% | 0.124 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 32.5 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A388 W433 D434 N437 | A388-G439 WeakPolarHBondContact CB-O 3.35Å; W433-G439 PolarHBondContact NE1-O 3.1Å; D434-G439 PolarHBondContact O-N 3.06Å; N437-G439 PolarHBondContact O-N 2.98Å |
| 440 | S | 69.4 | Low | 82.5 | Confident | 39 Ų | 39 | 47 Ų | 47 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | trans | -86.6 | 145 | 175.4 | 60 | 0 | 0 | 0 | 0 | 111.2 | N437 Y438 | N437-S440 PolarHBondContact ND2-OG 3.01Å; N437-S440 PolarHBondContact O-N 3.05Å; N437-S440 PolarHBondContact O-OG 2.81Å; Y438-S440 PolarHBondContact O-N 3.44Å | ||
| 441 | W | 83.8 | Confident | 82.4 | Confident | 46 Ų | 46 | 47 Ų | 47 | 17% | 0.174 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 135.6 | 166.9 | -69.5 | 93.5 | 0 | 0 | 0 | 109.5 | A388 R389 M390 L406 V408 E431 Q432 W433 | A388-W441 VanDerWaalsContact O-CD1 3.27Å; A388-W441 PolarHBondContact O-NE1 3.31Å; R389-W441 VanDerWaalsContact O-CD1 3.29Å; M390-W441 HydrophobicContact CG-CD2 3.61Å; M390-W441 VanDerWaalsContact CG-CE2 3.49Å; M390-W441 HydrophobicContact CG-CE3 3.89Å; M390-W441 HydrophobicContact CG-CG 4.19Å; M390-W441 HydrophobicContact CG-CH2 3.94Å; M390-W441 HydrophobicContact CG-CZ2 3.68Å; M390-W441 HydrophobicContact CG-CZ3 4.05Å; M390-W441 HydrophobicContact SD-CH2 4.1Å; M390-W441 HydrophobicContact SD-CZ2 4.31Å; M390-W441 HydrophobicContact SD-CZ3 4.27Å; L406-W441 HydrophobicContact CD2-CH2 3.66Å; L406-W441 HydrophobicContact CD2-CZ2 4.12Å; L406-W441 HydrophobicContact CG-CH2 4.21Å; V408-W441 HydrophobicContact CB-CZ3 4.29Å; V408-W441 HydrophobicContact CG2-CH2 3.48Å; V408-W441 VanDerWaalsContact CG2-CH2 3.48Å; V408-W441 HydrophobicContact CG2-CZ3 3.57Å; E431-W441 HydrophobicContact CB-CE3 3.73Å; E431-W441 HydrophobicContact CB-CZ3 4.21Å; Q432-W441 WeakPolarHBondContact O-CA 3.4Å; W433-W441 HydrophobicContact CB-CD2 3.68Å; W433-W441 HydrophobicContact CB-CE3 3.59Å; W433-W441 HydrophobicContact CB-CG 4.42Å; W433-W441 HydrophobicContact CB-CH2 3.75Å; W433-W441 HydrophobicContact CB-CZ2 3.81Å; W433-W441 HydrophobicContact CB-CZ3 3.63Å; W433-W441 AromaticContact CD1-CD1 3.96Å; W433-W441 AromaticContact CD1-CE2 3.85Å; W433-W441 AromaticContact CD1-NE1 3.72Å; W433-W441 HydrophobicContact CG-CD2 4.31Å; W433-W441 HydrophobicContact CG-CZ2 4.24Å |
| 442 | K | 87.6 | Confident | 82.3 | Confident | 81 Ų | 81 | 47.1 Ų | 47.1 | 35% | 0.352 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 147.5 | 171.1 | 65.2 | 176.2 | -177.1 | 177.4 | 0 | 110.4 | E431 Q432 V444 | E431-K442 CarbonylContact C-O 3.51Å; E431-K442 WeakPolarHBondContact CA-O 3.45Å; Q432-K442 HydrophobicContact CB-CG 4.19Å; Q432-K442 VanDerWaalsContact CD-CE 3.48Å; Q432-K442 PolarHBondContact N-O 2.74Å; Q432-K442 PolarHBondContact O-N 2.82Å; K442-V444 HydrophobicContact CG-CG1 4.45Å |
| 443 | F | 90 | Very high | 82.2 | Confident | 117 Ų | 117 | 48.4 Ų | 48.4 | 51% | 0.513 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 140.1 | 167.2 | -69 | -73.5 | 0 | 0 | 0 | 110.1 | A391 V430 E431 | A391-F443 HydrophobicContact CB-CE2 3.87Å; A391-F443 HydrophobicContact CB-CZ 3.66Å; V430-F443 WeakPolarHBondContact O-CA 3.41Å; E431-F443 HydrophobicContact CG-CD1 3.7Å; E431-F443 HydrophobicContact CG-CE1 3.54Å; E431-F443 HydrophobicContact CG-CZ 4.31Å |
| 444 | V | 93.3 | Very high | 82.3 | Confident | 14 Ų | 14 | 47.1 Ų | 47.1 | 9% | 0.085 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | -178.2 | 169.4 | -61.4 | 0 | 0 | 0 | 0 | 108.8 | V430 Q432 K442 P446 Y481 D486 | V430-V444 HydrophobicContact CB-CG2 3.63Å; V430-V444 HydrophobicContact CG1-CG2 3.36Å; V430-V444 PolarHBondContact O-N 3.26Å; Q432-V444 HydrophobicContact CB-CG1 3.63Å; K442-V444 HydrophobicContact CG-CG1 4.45Å; V444-P446 VanDerWaalsContact O-N 3.17Å; V444-Y481 WeakPolarHBondContact CB-OH 3.37Å; V444-D486 WeakPolarHBondContact CB-OD1 3.46Å |
| 445 | A | 94.8 | Very high | 83 | Confident | 19 Ų | 19 | 46.8 Ų | 46.8 | 16% | 0.157 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -49.8 | 124.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y481 D486 W488 | A445-Y481 HydrophobicContact CB-CE2 4.16Å; A445-D486 VanDerWaalsContact CB-O 3.23Å; A445-D486 WeakPolarHBondContact CB-O 3.22Å; A445-D486 VanDerWaalsContact CB-OD1 3.27Å; A445-D486 WeakPolarHBondContact CB-OD1 3.47Å; A445-D486 PolarHBondContact N-OD1 2.82Å; A445-W488 PolarHBondContact O-NE1 2.76Å |
| 446 | P | 93.9 | Very high | 84 | Confident | 82 Ų | 82 | 44.5 Ų | 44.5 | 53% | 0.532 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 158.6 | 179.7 | 30.9 | -35.3 | 0 | 0 | 0 | 110.4 | A428 V444 | A428-P446 HydrophobicContact CB-CB 4.39Å; A428-P446 CarbonylContact O-C 3.56Å; A428-P446 VanDerWaalsContact O-CA 3.3Å; A428-P446 WeakPolarHBondContact O-CA 3.35Å; A428-P446 WeakPolarHBondContact O-CB 3.1Å; V444-P446 VanDerWaalsContact O-N 3.17Å |
| 447 | L | 92.8 | Very high | 85 | Confident | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -59.9 | 143.4 | 168.4 | -68.5 | 164.1 | 0 | 0 | 0 | 110.1 | V409 A428 V430 S449 R451 C465 L479 W488 | V409-L447 HydrophobicContact CG1-CD1 3.86Å; V409-L447 HydrophobicContact CG1-CD2 4.08Å; V409-L447 HydrophobicContact CG1-CG 4.2Å; A428-L447 HydrophobicContact CB-CB 4.43Å; A428-L447 PolarHBondContact O-N 3.37Å; V430-L447 HydrophobicContact CG2-CG 4.2Å; L447-S449 WeakPolarHBondContact CB-O 3.38Å; L447-S449 PolarHBondContact O-N 3.5Å; L447-R451 HydrophobicContact CD1-CG 3.82Å; L447-C465 HydrophobicContact CD2-CB 4.35Å; L447-L479 HydrophobicContact CD2-CD1 3.87Å; L447-W488 HydrophobicContact CD2-CD2 3.98Å; L447-W488 HydrophobicContact CD2-CE3 4.05Å; L447-W488 HydrophobicContact CD2-CH2 3.65Å; L447-W488 HydrophobicContact CD2-CZ2 3.57Å; L447-W488 HydrophobicContact CD2-CZ3 3.89Å; L447-W488 HydrophobicContact CG-CZ2 4.24Å |
| 448 | P | 91 | Very high | 86.6 | Confident | 98 Ų | 98 | 40.1 Ų | 40.1 | 64% | 0.636 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -58.9 | -29.2 | 175.4 | -25.9 | 35.2 | 0 | 0 | 0 | 114.4 | L479 W488 | P448-L479 HydrophobicContact CG-CD1 4.31Å; P448-L479 HydrophobicContact CG-CD2 4.41Å; P448-W488 HydrophobicContact CG-CB 4.37Å |
| 449 | S | 86.9 | Confident | 88.3 | Confident | 39 Ų | 39 | 33.7 Ų | 33.7 | 27% | 0.273 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -134.2 | 142.9 | 167.5 | 100.5 | 0 | 0 | 0 | 0 | 110.2 | L447 R451 | L447-S449 WeakPolarHBondContact CB-O 3.38Å; L447-S449 PolarHBondContact O-N 3.5Å; S449-R451 PolarHBondContact O-NE 3.13Å; S449-R451 PolarHBondContact OG-NH2 3.03Å |
| 450 | A | 88.4 | Confident | 89.5 | Confident | 31 Ų | 31 | 39.6 Ų | 39.6 | 26% | 0.256 | 23% | 0.228 | S | C | . | . | trans | -57.8 | 140.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | D426 A428 D470 | D426-A450 HydrophobicContact CB-CB 4.04Å; D426-A450 WeakPolarHBondContact O-CB 3.47Å; A428-A450 HydrophobicContact CB-CB 4.15Å; A450-D470 WeakPolarHBondContact O-CA 3.36Å; A450-D470 WeakPolarHBondContact O-CB 3.3Å | ||
| 451 | R | 89.9 | Confident | 90.5 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | trans | -159.4 | 158.3 | 177.8 | 53.3 | -170.7 | 76.9 | -161 | -2.4 | 112.6 | S411 L427 L447 S449 M454 Y469 L475 E477 | S411-R451 PolarHBondContact N-O 2.97Å; L427-R451 PolarHBondContact O-N 2.64Å; L447-R451 HydrophobicContact CD1-CG 3.82Å; S449-R451 PolarHBondContact O-NE 3.13Å; S449-R451 PolarHBondContact OG-NH2 3.03Å; R451-M454 HydrophobicContact CB-CE 4.14Å; R451-M454 HydrophobicContact CG-CE 3.62Å; R451-M454 HydrophobicContact CG-SD 4.12Å; R451-M454 WeakPolarHBondContact O-CE 3.49Å; R451-Y469 CarbonylContact C-O 3.6Å; R451-Y469 WeakPolarHBondContact CA-O 3.29Å; R451-Y469 WeakPolarHBondContact CB-O 3.48Å; R451-L475 HydrophobicContact CB-CD1 4.32Å; R451-L475 VanDerWaalsContact NH1-CD1 3.29Å; R451-E477 IonicContact CZ-OE2 2.71Å; R451-E477 IonicContact NH1-OE2 3Å; R451-E477 IonicContact NH2-OE2 3.69Å; R451-E477 PolarHBondContact NH2-OE2 3.27Å | ||
| 452 | S | 88.8 | Confident | 91 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -132.6 | 178 | 172.6 | 58.3 | 0 | 0 | 0 | 0 | 111.4 | D426 M454 G468 Y469 | D426-S452 WeakPolarHBondContact OD1-CB 3.37Å; D426-S452 PolarHBondContact OD1-OG 3.3Å; S452-M454 PolarHBondContact O-N 2.85Å; S452-G468 CarbonylContact O-C 3.59Å; S452-G468 WeakPolarHBondContact O-CA 3.47Å; S452-Y469 PolarHBondContact N-O 3.21Å; S452-Y469 PolarHBondContact O-N 3.05Å |
| 453 | S | 87.7 | Confident | 91.3 | Very high | 29 Ų | 29 | 36.3 Ų | 36.3 | 20% | 0.203 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 52.5 | 32.2 | 173.5 | -61.9 | 0 | 0 | 0 | 0 | 114.7 | A396 E500 | A396-S453 PolarHBondContact O-N 2.79Å; S453-E500 PolarHBondContact O-N 3.31Å |
| 454 | M | 91.4 | Very high | 91.6 | Very high | 17 Ų | 17 | 31 Ų | 31 | 8% | 0.084 | 19% | 0.192 | C | C | . | . | trans | -93.4 | 160.3 | -177.2 | 72.8 | -156.4 | 73.8 | 0 | 0 | 111.7 | V409 R451 S452 V456 C465 | V409-M454 HydrophobicContact CG1-SD 4.08Å; R451-M454 HydrophobicContact CB-CE 4.14Å; R451-M454 HydrophobicContact CG-CE 3.62Å; R451-M454 HydrophobicContact CG-SD 4.12Å; R451-M454 WeakPolarHBondContact O-CE 3.49Å; S452-M454 PolarHBondContact O-N 2.85Å; M454-V456 HydrophobicContact CG-CG2 3.55Å; M454-V456 HydrophobicContact SD-CG2 3.95Å; M454-C465 PolarHBondContact SD-SG 2.89Å | ||
| 455 | G | 90.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 30.3 Ų | 30.3 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 133.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | C465 I466 | G455-C465 WeakPolarHBondContact O-CA 3.41Å; G455-I466 PolarHBondContact N-O 3.48Å; G455-I466 PolarHBondContact O-N 3.1Å |
| 456 | V | 93.3 | Very high | 91.6 | Very high | 9 Ų | 9 | 29.6 Ų | 29.6 | 6% | 0.055 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 127.8 | 173.8 | -168.7 | 0 | 0 | 0 | 0 | 110.5 | V400 V409 M454 V463 Y464 | V400-V456 HydrophobicContact CG1-CB 4.17Å; V400-V456 HydrophobicContact CG1-CG1 3.67Å; V400-V456 HydrophobicContact CG2-CG1 4.06Å; V409-V456 HydrophobicContact CB-CG1 4.45Å; V409-V456 HydrophobicContact CB-CG2 4.3Å; V409-V456 HydrophobicContact CG1-CG2 4.46Å; V409-V456 HydrophobicContact CG2-CG1 4.14Å; M454-V456 HydrophobicContact CG-CG2 3.55Å; M454-V456 HydrophobicContact SD-CG2 3.95Å; V456-V463 HydrophobicContact CG1-CG1 3.46Å; V456-V463 VanDerWaalsContact CG1-CG1 3.46Å; V456-Y464 VanDerWaalsContact CA-O 3.26Å; V456-Y464 WeakPolarHBondContact CA-O 3.46Å |
| 457 | V | 92.8 | Very high | 91.5 | Very high | 11 Ų | 11 | 25.7 Ų | 25.7 | 7% | 0.067 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 155.7 | -179.4 | -64 | 0 | 0 | 0 | 0 | 111.5 | Y464 C503 T505 I510 | V457-Y464 PolarHBondContact N-O 3.32Å; V457-Y464 PolarHBondContact O-N 2.96Å; V457-C503 HydrophobicContact CG1-CB 3.87Å; V457-T505 HydrophobicContact CB-CG2 3.69Å; V457-T505 HydrophobicContact CG1-CG2 4.18Å; V457-T505 HydrophobicContact CG2-CG2 3.75Å; V457-I510 HydrophobicContact CG2-CB 4.48Å; V457-I510 HydrophobicContact CG2-CD1 3.88Å; V457-I510 HydrophobicContact CG2-CG1 3.95Å; V457-I510 HydrophobicContact CG2-CG2 3.77Å |
| 458 | T | 93 | Very high | 91.5 | Very high | 37 Ų | 37 | 25.4 Ų | 25.4 | 23% | 0.227 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 132 | 171.9 | -55.1 | 0 | 0 | 0 | 0 | 110.2 | V400 V401 A402 C462 | V400-T458 WeakPolarHBondContact CB-OG1 3.42Å; V401-T458 WeakPolarHBondContact O-CB 3.39Å; V401-T458 WeakPolarHBondContact O-CG2 3.49Å; V401-T458 PolarHBondContact O-OG1 3.21Å; A402-T458 HydrophobicContact CB-CG2 3.9Å; T458-C462 WeakPolarHBondContact CA-O 3.38Å |
| 459 | V | 90.7 | Very high | 91.4 | Very high | 16 Ų | 16 | 24.7 Ų | 24.7 | 10% | 0.097 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 128.6 | 167.7 | -174 | 0 | 0 | 0 | 0 | 109.1 | D461 C462 Y464 T505 I510 V530 | V459-D461 VanDerWaalsContact C-N 3.29Å; V459-D461 PolarHBondContact O-N 3.02Å; V459-C462 PolarHBondContact N-O 2.96Å; V459-C462 WeakPolarHBondContact O-CB 3.25Å; V459-C462 PolarHBondContact O-N 3.11Å; V459-Y464 HydrophobicContact CB-CD2 4.17Å; V459-Y464 HydrophobicContact CB-CE2 3.83Å; V459-Y464 HydrophobicContact CG2-CD2 4.32Å; V459-Y464 HydrophobicContact CG2-CE2 4.39Å; V459-T505 HydrophobicContact CG2-CG2 3.41Å; V459-T505 VanDerWaalsContact CG2-CG2 3.41Å; V459-I510 HydrophobicContact CG2-CD1 4.07Å; V459-I510 HydrophobicContact CG2-CG1 3.86Å; V459-V530 HydrophobicContact CB-CG2 4.46Å; V459-V530 HydrophobicContact CG1-CB 4.41Å; V459-V530 HydrophobicContact CG1-CG1 4.04Å; V459-V530 HydrophobicContact CG1-CG2 4.07Å; V459-V530 HydrophobicContact CG2-CG2 4.33Å |
| 460 | N | 89.3 | Confident | 91.4 | Very high | 135 Ų | 135 | 24.7 Ų | 24.7 | 72% | 0.722 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 49.3 | -179.8 | -57.7 | -21.5 | 0 | 0 | 0 | 112.1 | C462 | N460-C462 PolarHBondContact O-N 3.38Š|
| 461 | D | 90.7 | Very high | 91.1 | Very high | 84 Ų | 84 | 24 Ų | 24 | 45% | 0.449 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 10.2 | -177.2 | -70.4 | -53.2 | 0 | 0 | 0 | 116.3 | M403 V459 P483 | M403-D461 HydrophobicContact CE-CB 3.86Å; M403-D461 HydrophobicContact CG-CB 3.73Å; M403-D461 PolarHBondContact N-OD1 3.37Å; M403-D461 VanDerWaalsContact N-OD1 3.11Å; V459-D461 VanDerWaalsContact C-N 3.29Å; V459-D461 PolarHBondContact O-N 3.02Å; D461-P483 VanDerWaalsContact O-CD 3.26Å; D461-P483 WeakPolarHBondContact O-CD 3.39Å; D461-P483 WeakPolarHBondContact O-CG 3.42Å |
| 462 | C | 93.6 | Very high | 90.9 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 9% | 0.088 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 146.7 | 170.5 | -62.9 | 0 | 0 | 0 | 0 | 110 | T458 V459 N460 Y464 K480 Y481 | T458-C462 WeakPolarHBondContact CA-O 3.38Å; V459-C462 PolarHBondContact N-O 2.96Å; V459-C462 WeakPolarHBondContact O-CB 3.25Å; V459-C462 PolarHBondContact O-N 3.11Å; N460-C462 PolarHBondContact O-N 3.38Å; C462-Y464 HydrophobicContact CB-CE2 3.97Å; C462-K480 HydrophobicContact CB-CG 4.14Å; C462-K480 WeakPolarHBondContact SG-CE 3.3Å; C462-Y481 WeakPolarHBondContact CA-O 3.41Å; C462-Y481 WeakPolarHBondContact CB-O 3.34Å |
| 463 | V | 95 | Very high | 91 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 126.8 | 177.2 | 176.6 | 0 | 0 | 0 | 0 | 109.3 | V400 A402 I407 V409 V456 K480 Y481 W488 | V400-V463 HydrophobicContact CG2-CB 4.31Å; V400-V463 HydrophobicContact CG2-CG1 3.73Å; V400-V463 HydrophobicContact CG2-CG2 3.63Å; A402-V463 HydrophobicContact CB-CG2 3.82Å; I407-V463 HydrophobicContact CD1-CG2 3.81Å; V409-V463 HydrophobicContact CG2-CG1 4.16Å; V456-V463 HydrophobicContact CG1-CG1 3.46Å; V456-V463 VanDerWaalsContact CG1-CG1 3.46Å; V463-K480 CarbonylContact O-C 3.5Å; V463-K480 WeakPolarHBondContact O-CA 3.48Å; V463-Y481 HydrophobicContact CB-CD1 4.25Å; V463-Y481 HydrophobicContact CG2-CD1 4.3Å; V463-Y481 PolarHBondContact N-O 3.31Å; V463-Y481 PolarHBondContact O-N 2.81Å; V463-W488 HydrophobicContact CG1-CH2 4.38Å |
| 464 | Y | 94.6 | Very high | 91.2 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 2% | 0.024 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 126.9 | 175.5 | -70.3 | -101.5 | 0 | 0 | 0 | 109.4 | V456 V457 V459 C462 L479 K480 V491 I510 Y528 V530 | V456-Y464 VanDerWaalsContact CA-O 3.26Å; V456-Y464 WeakPolarHBondContact CA-O 3.46Å; V457-Y464 PolarHBondContact N-O 3.32Å; V457-Y464 PolarHBondContact O-N 2.96Å; V459-Y464 HydrophobicContact CB-CD2 4.17Å; V459-Y464 HydrophobicContact CB-CE2 3.83Å; V459-Y464 HydrophobicContact CG2-CD2 4.32Å; V459-Y464 HydrophobicContact CG2-CE2 4.39Å; C462-Y464 HydrophobicContact CB-CE2 3.97Å; Y464-L479 CarbonylContact C-O 3.58Å; Y464-L479 WeakPolarHBondContact CA-O 3.2Å; Y464-K480 HydrophobicContact CD1-CB 4.1Å; Y464-K480 HydrophobicContact CD1-CG 4.38Å; Y464-K480 HydrophobicContact CE1-CB 3.91Å; Y464-K480 HydrophobicContact CE1-CD 3.97Å; Y464-K480 HydrophobicContact CE1-CG 3.92Å; Y464-K480 HydrophobicContact CE2-CG 4.26Å; Y464-K480 WeakPolarHBondContact OH-CD 3.4Å; Y464-K480 WeakPolarHBondContact OH-CE 3.5Å; Y464-V491 HydrophobicContact CD1-CG2 4.45Å; Y464-V491 HydrophobicContact CE1-CG1 4.44Å; Y464-I510 HydrophobicContact CD1-CD1 3.64Å; Y464-I510 HydrophobicContact CD2-CD1 3.89Å; Y464-I510 HydrophobicContact CE1-CD1 4.23Å; Y464-I510 HydrophobicContact CE2-CD1 4.45Å; Y464-I510 HydrophobicContact CG-CD1 3.45Å; Y464-I510 VanDerWaalsContact CG-CD1 3.45Å; Y464-Y528 HydrophobicContact CE1-CE1 4Å; Y464-V530 WeakPolarHBondContact OH-CG1 3.22Å |
| 465 | C | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 120.2 | 174.3 | 173.5 | 0 | 0 | 0 | 0 | 108.3 | L447 M454 G455 C478 L479 W488 | L447-C465 HydrophobicContact CD2-CB 4.35Å; M454-C465 PolarHBondContact SD-SG 2.89Å; G455-C465 WeakPolarHBondContact O-CA 3.41Å; C465-C478 CarbonylContact O-C 3.56Å; C465-C478 WeakPolarHBondContact O-CA 3.47Å; C465-L479 HydrophobicContact CB-CB 4.35Å; C465-L479 PolarHBondContact N-O 3.06Å; C465-L479 PolarHBondContact O-N 3.41Å; C465-W488 HydrophobicContact CB-CH2 3.98Å; C465-W488 HydrophobicContact CB-CZ3 3.72Å |
| 466 | I | 93.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.015 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 118.7 | -168.1 | -53 | -59.9 | 0 | 0 | 0 | 109.1 | G455 C478 L494 M501 I510 A512 | G455-I466 PolarHBondContact N-O 3.48Å; G455-I466 PolarHBondContact O-N 3.1Å; I466-C478 HydrophobicContact CD1-CB 3.93Å; I466-L494 HydrophobicContact CG2-CD1 3.75Å; I466-L494 HydrophobicContact CG2-CD2 4.03Å; I466-L494 HydrophobicContact CG2-CG 4.04Å; I466-M501 HydrophobicContact CG2-CE 4.31Å; I466-M501 HydrophobicContact CG2-SD 4Å; I466-M501 VanDerWaalsContact O-CE 3.27Å; I466-M501 WeakPolarHBondContact O-CE 3.3Å; I466-I510 HydrophobicContact CG1-CG2 4.28Å; I466-A512 HydrophobicContact CG2-CB 4.31Å |
| 467 | G | 92.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 58.7 | -137.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | L475 E477 | G467-L475 VanDerWaalsContact CA-O 3.31Å; G467-L475 WeakPolarHBondContact CA-O 3.37Å; G467-E477 PolarHBondContact N-O 2.93Å |
| 468 | G | 91.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 106.1 | -169.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S452 L475 R498 | S452-G468 CarbonylContact O-C 3.59Å; S452-G468 WeakPolarHBondContact O-CA 3.47Å; G468-L475 PolarHBondContact O-N 3.37Å; G468-R498 PolarHBondContact N-O 3.37Å |
| 469 | Y | 89.1 | Confident | 91.6 | Very high | 83 Ų | 83 | 41.9 Ų | 41.9 | 33% | 0.325 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 129.2 | -179.7 | -178.8 | -110.6 | 0 | 0 | 0 | 109.7 | R451 S452 G471 R472 K473 V474 | R451-Y469 CarbonylContact C-O 3.6Å; R451-Y469 WeakPolarHBondContact CA-O 3.29Å; R451-Y469 WeakPolarHBondContact CB-O 3.48Å; S452-Y469 PolarHBondContact N-O 3.21Å; S452-Y469 PolarHBondContact O-N 3.05Å; Y469-G471 PolarHBondContact OH-O 3.08Å; Y469-R472 PolarHBondContact OH-N 2.81Å; Y469-K473 VanDerWaalsContact CD2-C 3.4Å; Y469-K473 VanDerWaalsContact CD2-O 3.27Å; Y469-K473 WeakPolarHBondContact CD2-O 3.3Å; Y469-V474 HydrophobicContact CD2-CG2 4.17Å |
| 470 | D | 87.9 | Confident | 91.8 | Very high | 38 Ų | 38 | 44 Ų | 44 | 20% | 0.203 | 21% | 0.207 | C | C | . | . | trans | -92.9 | 10.8 | -175.9 | 69.1 | -1 | 0 | 0 | 0 | 114.6 | A450 R472 K473 L475 | A450-D470 WeakPolarHBondContact O-CA 3.36Å; A450-D470 WeakPolarHBondContact O-CB 3.3Å; D470-R472 VanDerWaalsContact C-N 3.33Å; D470-R472 WeakPolarHBondContact OD1-CA 3.48Å; D470-R472 WeakPolarHBondContact OD1-CB 3.3Å; D470-R472 PolarHBondContact OD1-N 3.38Å; D470-K473 PolarHBondContact N-O 2.83Å; D470-K473 PolarHBondContact OD1-N 3.15Å; D470-L475 HydrophobicContact CB-CD1 4.11Å; D470-L475 HydrophobicContact CB-CD2 4.29Å; D470-L475 HydrophobicContact CB-CG 4.35Å | ||
| 471 | G | 81.7 | Confident | 92.1 | Very high | 16 Ų | 16 | 37.6 Ų | 37.6 | 17% | 0.165 | 17% | 0.173 | C | C | . | . | S | Bend | trans | 92.9 | -14 | -171 | 0 | 0 | 0 | 0 | 0 | 113.7 | D426 Y469 | D426-G471 WeakPolarHBondContact OD2-CA 3.36Å; D426-G471 PolarHBondContact OD2-N 2.99Å; Y469-G471 PolarHBondContact OH-O 3.08Å |
| 472 | R | 86.2 | Confident | 92.3 | Very high | 217 Ų | 217 | 35.5 Ų | 35.5 | 82% | 0.819 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -128.4 | -38.7 | -177.5 | -60.8 | -179.1 | 178.7 | -176.1 | -0.9 | 114.4 | Y469 D470 | Y469-R472 PolarHBondContact OH-N 2.81Å; D470-R472 VanDerWaalsContact C-N 3.33Å; D470-R472 WeakPolarHBondContact OD1-CA 3.48Å; D470-R472 WeakPolarHBondContact OD1-CB 3.3Å; D470-R472 PolarHBondContact OD1-N 3.38Å |
| 473 | K | 90.1 | Very high | 92.3 | Very high | 105 Ų | 105 | 35.4 Ų | 35.4 | 46% | 0.457 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -147.6 | 157.1 | -177.8 | 62.8 | 172.2 | -176.7 | 172.1 | 0 | 111.5 | Y469 D470 L475 D518 | Y469-K473 VanDerWaalsContact CD2-C 3.4Å; Y469-K473 VanDerWaalsContact CD2-O 3.27Å; Y469-K473 WeakPolarHBondContact CD2-O 3.3Å; D470-K473 PolarHBondContact N-O 2.83Å; D470-K473 PolarHBondContact OD1-N 3.15Å; K473-L475 HydrophobicContact CD-CD2 4.39Å; K473-L475 HydrophobicContact CG-CD2 4.1Å; K473-D518 WeakPolarHBondContact CA-OD1 3.48Å |
| 474 | V | 91.9 | Very high | 92.1 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 6% | 0.055 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 132.4 | 169.9 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | Y469 S497 R498 A499 D518 | Y469-V474 HydrophobicContact CD2-CG2 4.17Å; V474-S497 WeakPolarHBondContact O-CB 3.47Å; V474-S497 PolarHBondContact O-OG 3.47Å; V474-S497 VanDerWaalsContact O-OG 3.07Å; V474-R498 VanDerWaalsContact CG1-N 3.25Å; V474-A499 HydrophobicContact CG1-CB 3.81Å; V474-A499 HydrophobicContact CG2-CB 4.25Å; V474-D518 WeakPolarHBondContact CG2-OD1 3.41Å; V474-D518 PolarHBondContact N-OD1 3.11Å |
| 475 | L | 93.7 | Very high | 92.1 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 145.1 | -176.4 | -55.2 | -179.4 | 0 | 0 | 0 | 111.5 | R451 G467 G468 D470 K473 R498 | R451-L475 HydrophobicContact CB-CD1 4.32Å; R451-L475 VanDerWaalsContact NH1-CD1 3.29Å; G467-L475 VanDerWaalsContact CA-O 3.31Å; G467-L475 WeakPolarHBondContact CA-O 3.37Å; G468-L475 PolarHBondContact O-N 3.37Å; D470-L475 HydrophobicContact CB-CD1 4.11Å; D470-L475 HydrophobicContact CB-CD2 4.29Å; D470-L475 HydrophobicContact CB-CG 4.35Å; K473-L475 HydrophobicContact CD-CD2 4.39Å; K473-L475 HydrophobicContact CG-CD2 4.1Å; L475-R498 PolarHBondContact O-N 3.27Å |
| 476 | N | 93.3 | Very high | 92.1 | Very high | 58 Ų | 58 | 47.6 Ų | 47.6 | 31% | 0.31 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -6.8 | 164.3 | 69.2 | -28.7 | 0 | 0 | 0 | 112.4 | S493 L494 | N476-S493 CarbonylContact O-C 3.55Å; N476-S493 WeakPolarHBondContact O-CA 3.4Å; N476-S493 WeakPolarHBondContact O-CB 3.5Å; N476-L494 HydrophobicContact CB-CB 4.13Å; N476-L494 PolarHBondContact ND2-O 3.41Å; N476-L494 VanDerWaalsContact ND2-O 3.12Å; N476-L494 PolarHBondContact O-N 3.43Å |
| 477 | E | 93.3 | Very high | 92.2 | Very high | 78 Ų | 78 | 49 Ų | 49 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 138.2 | -177.2 | -66 | 174.2 | -178.3 | 0 | 0 | 111.9 | R451 G467 | R451-E477 IonicContact CZ-OE2 2.71Å; R451-E477 IonicContact NH1-OE2 3Å; R451-E477 IonicContact NH2-OE2 3.69Å; R451-E477 PolarHBondContact NH2-OE2 3.27Å; G467-E477 PolarHBondContact N-O 2.93Å |
| 478 | C | 94.2 | Very high | 92.4 | Very high | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.02 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 136.3 | 175 | -62.9 | 0 | 0 | 0 | 0 | 109.5 | C465 I466 V491 A492 | C465-C478 CarbonylContact O-C 3.56Å; C465-C478 WeakPolarHBondContact O-CA 3.47Å; I466-C478 HydrophobicContact CD1-CB 3.93Å; C478-V491 HydrophobicContact CB-CG2 3.48Å; C478-V491 VanDerWaalsContact CB-CG2 3.48Å; C478-V491 PolarHBondContact O-N 2.9Å; C478-V491 VanDerWaalsContact O-N 3.11Å; C478-A492 VanDerWaalsContact CB-O 3.31Å; C478-A492 WeakPolarHBondContact CB-O 3.49Å; C478-A492 PolarHBondContact SG-O 3.45Å |
| 479 | L | 94.8 | Very high | 92.6 | Very high | 11 Ų | 11 | 53.9 Ų | 53.9 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 142.7 | -178.1 | -58.9 | 170.5 | 0 | 0 | 0 | 110 | L447 P448 Y464 C465 W488 T489 A490 | L447-L479 HydrophobicContact CD2-CD1 3.87Å; P448-L479 HydrophobicContact CG-CD1 4.31Å; P448-L479 HydrophobicContact CG-CD2 4.41Å; Y464-L479 CarbonylContact C-O 3.58Å; Y464-L479 WeakPolarHBondContact CA-O 3.2Å; C465-L479 HydrophobicContact CB-CB 4.35Å; C465-L479 PolarHBondContact N-O 3.06Å; C465-L479 PolarHBondContact O-N 3.41Å; L479-W488 HydrophobicContact CB-CE3 3.62Å; L479-W488 HydrophobicContact CB-CZ3 3.97Å; L479-T489 CarbonylContact C-O 3.52Å; L479-T489 WeakPolarHBondContact CA-O 3.29Å; L479-A490 HydrophobicContact CD2-CB 4.46Å |
| 480 | K | 95 | Very high | 92.8 | Very high | 60 Ų | 60 | 54 Ų | 54 | 26% | 0.261 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 121.3 | 175.2 | 175.8 | -171.4 | 178.1 | 178.5 | 0 | 109.7 | C462 V463 Y464 W488 T489 V491 | C462-K480 HydrophobicContact CB-CG 4.14Å; C462-K480 WeakPolarHBondContact SG-CE 3.3Å; V463-K480 CarbonylContact O-C 3.5Å; V463-K480 WeakPolarHBondContact O-CA 3.48Å; Y464-K480 HydrophobicContact CD1-CB 4.1Å; Y464-K480 HydrophobicContact CD1-CG 4.38Å; Y464-K480 HydrophobicContact CE1-CB 3.91Å; Y464-K480 HydrophobicContact CE1-CD 3.97Å; Y464-K480 HydrophobicContact CE1-CG 3.92Å; Y464-K480 HydrophobicContact CE2-CG 4.26Å; Y464-K480 WeakPolarHBondContact OH-CD 3.4Å; Y464-K480 WeakPolarHBondContact OH-CE 3.5Å; K480-W488 CarbonylContact O-C 3.58Å; K480-W488 WeakPolarHBondContact O-CA 2.92Å; K480-T489 PolarHBondContact N-O 3.17Å; K480-T489 PolarHBondContact O-N 3.31Å; K480-T489 PolarHBondContact O-OG1 3.25Å; K480-T489 VanDerWaalsContact O-OG1 3.07Å; K480-V491 HydrophobicContact CB-CG1 3.69Å; K480-V491 HydrophobicContact CD-CG1 4.35Å |
| 481 | Y | 96.6 | Very high | 93 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.008 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 129.5 | 169.4 | 176.7 | -114.4 | 0 | 0 | 0 | 110.2 | I407 V444 A445 C462 V463 P483 D486 A487 W488 | I407-Y481 HydrophobicContact CD1-CD1 4.4Å; I407-Y481 HydrophobicContact CD1-CE1 4.05Å; V444-Y481 WeakPolarHBondContact CB-OH 3.37Å; A445-Y481 HydrophobicContact CB-CE2 4.16Å; C462-Y481 WeakPolarHBondContact CA-O 3.41Å; C462-Y481 WeakPolarHBondContact CB-O 3.34Å; V463-Y481 HydrophobicContact CB-CD1 4.25Å; V463-Y481 HydrophobicContact CG2-CD1 4.3Å; V463-Y481 PolarHBondContact N-O 3.31Å; V463-Y481 PolarHBondContact O-N 2.81Å; Y481-P483 HydrophobicContact CD1-CG 3.95Å; Y481-P483 HydrophobicContact CE1-CB 3.98Å; Y481-P483 HydrophobicContact CE1-CG 3.74Å; Y481-D486 WeakPolarHBondContact CE2-OD1 3.46Å; Y481-D486 PolarHBondContact OH-OD1 3.19Å; Y481-A487 WeakPolarHBondContact CA-O 3.41Å; Y481-W488 VanDerWaalsContact CB-CZ3 3.49Å; Y481-W488 AromaticContact CD2-CD1 3.97Å; Y481-W488 HydrophobicContact CD2-CD2 4.15Å; Y481-W488 AromaticContact CD2-CE2 3.84Å; Y481-W488 HydrophobicContact CD2-CG 4.23Å; Y481-W488 HydrophobicContact CD2-CZ2 4.33Å; Y481-W488 AromaticContact CD2-NE1 3.71Å; Y481-W488 HydrophobicContact CG-CD2 4.28Å; Y481-W488 AromaticContact CG-CE2 3.95Å; Y481-W488 HydrophobicContact CG-CH2 4.39Å; Y481-W488 HydrophobicContact CG-CZ2 4.01Å |
| 482 | N | 94.6 | Very high | 93.4 | Very high | 39 Ų | 39 | 53.6 Ų | 53.6 | 21% | 0.209 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 108.5 | 171.3 | 178.9 | 4.3 | 0 | 0 | 0 | 109.6 | S484 N485 D486 A487 | N482-S484 VanDerWaalsContact CG-OG 3.3Å; N482-S484 PolarHBondContact ND2-OG 3.43Å; N482-S484 PolarHBondContact O-N 2.91Å; N482-S484 VanDerWaalsContact O-N 3.1Å; N482-S484 WeakPolarHBondContact OD1-CB 3.34Å; N482-S484 PolarHBondContact OD1-N 2.68Å; N482-S484 PolarHBondContact OD1-OG 3.06Å; N482-N485 VanDerWaalsContact CB-OD1 3.3Å; N482-N485 WeakPolarHBondContact CB-OD1 3.38Å; N482-N485 PolarHBondContact O-N 3.09Å; N482-N485 PolarHBondContact O-OD1 3.02Å; N482-D486 PolarHBondContact O-N 3.3Å; N482-A487 PolarHBondContact N-O 2.83Å |
| 483 | P | 92.4 | Very high | 93.7 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 7% | 0.071 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.2 | 178.6 | -21.1 | 31.4 | 0 | 0 | 0 | 114.5 | A402 M403 I407 D461 Y481 | A402-P483 HydrophobicContact CB-CG 4.16Å; M403-P483 HydrophobicContact CE-CB 4.5Å; M403-P483 HydrophobicContact SD-CB 3.92Å; I407-P483 HydrophobicContact CD1-CG 4.17Å; D461-P483 VanDerWaalsContact O-CD 3.26Å; D461-P483 WeakPolarHBondContact O-CD 3.39Å; D461-P483 WeakPolarHBondContact O-CG 3.42Å; Y481-P483 HydrophobicContact CD1-CG 3.95Å; Y481-P483 HydrophobicContact CE1-CB 3.98Å; Y481-P483 HydrophobicContact CE1-CG 3.74Å |
| 484 | S | 91.7 | Very high | 93.7 | Very high | 86 Ų | 86 | 41.2 Ų | 41.2 | 60% | 0.601 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -28.5 | -179.4 | 80 | 0 | 0 | 0 | 0 | 113.5 | N482 | N482-S484 VanDerWaalsContact CG-OG 3.3Å; N482-S484 PolarHBondContact ND2-OG 3.43Å; N482-S484 PolarHBondContact O-N 2.91Å; N482-S484 VanDerWaalsContact O-N 3.1Å; N482-S484 WeakPolarHBondContact OD1-CB 3.34Å; N482-S484 PolarHBondContact OD1-N 2.68Å; N482-S484 PolarHBondContact OD1-OG 3.06Å |
| 485 | N | 94.5 | Very high | 93.5 | Very high | 97 Ų | 97 | 45.9 Ų | 45.9 | 52% | 0.519 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 7 | -179.1 | 68.8 | -3.1 | 0 | 0 | 0 | 113.2 | N482 A487 | N482-N485 VanDerWaalsContact CB-OD1 3.3Å; N482-N485 WeakPolarHBondContact CB-OD1 3.38Å; N482-N485 PolarHBondContact O-N 3.09Å; N482-N485 PolarHBondContact O-OD1 3.02Å; N485-A487 VanDerWaalsContact C-N 3.33Å; N485-A487 PolarHBondContact O-N 3.34Å; N485-A487 PolarHBondContact OD1-N 2.85Å |
| 486 | D | 95.1 | Very high | 93.1 | Very high | 79 Ų | 79 | 47 Ų | 47 | 42% | 0.422 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 50.8 | 178.8 | -167.3 | 20.4 | 0 | 0 | 0 | 112.3 | V444 A445 Y481 N482 | V444-D486 WeakPolarHBondContact CB-OD1 3.46Å; A445-D486 VanDerWaalsContact CB-O 3.23Å; A445-D486 WeakPolarHBondContact CB-O 3.22Å; A445-D486 VanDerWaalsContact CB-OD1 3.27Å; A445-D486 WeakPolarHBondContact CB-OD1 3.47Å; A445-D486 PolarHBondContact N-OD1 2.82Å; Y481-D486 WeakPolarHBondContact CE2-OD1 3.46Å; Y481-D486 PolarHBondContact OH-OD1 3.19Å; N482-D486 PolarHBondContact O-N 3.3Å |
| 487 | A | 96.2 | Very high | 93.1 | Very high | 32 Ų | 32 | 46 Ų | 46 | 26% | 0.264 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 140.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | Y481 N482 N485 | Y481-A487 WeakPolarHBondContact CA-O 3.41Å; N482-A487 PolarHBondContact N-O 2.83Å; N485-A487 VanDerWaalsContact C-N 3.33Å; N485-A487 PolarHBondContact O-N 3.34Å; N485-A487 PolarHBondContact OD1-N 2.85Å |
| 488 | W | 96.8 | Very high | 93 | Very high | 33 Ų | 33 | 42.2 Ų | 42.2 | 13% | 0.125 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 141.5 | 167.5 | -69.2 | 93.2 | 0 | 0 | 0 | 110.5 | V409 V430 A445 L447 P448 V463 C465 L479 K480 Y481 | V409-W488 HydrophobicContact CG1-CH2 3.92Å; V409-W488 HydrophobicContact CG1-CZ2 4.09Å; V409-W488 HydrophobicContact CG2-CH2 4.44Å; V430-W488 HydrophobicContact CG2-CZ2 3.9Å; A445-W488 PolarHBondContact O-NE1 2.76Å; L447-W488 HydrophobicContact CD2-CD2 3.98Å; L447-W488 HydrophobicContact CD2-CE3 4.05Å; L447-W488 HydrophobicContact CD2-CH2 3.65Å; L447-W488 HydrophobicContact CD2-CZ2 3.57Å; L447-W488 HydrophobicContact CD2-CZ3 3.89Å; L447-W488 HydrophobicContact CG-CZ2 4.24Å; P448-W488 HydrophobicContact CG-CB 4.37Å; V463-W488 HydrophobicContact CG1-CH2 4.38Å; C465-W488 HydrophobicContact CB-CH2 3.98Å; C465-W488 HydrophobicContact CB-CZ3 3.72Å; L479-W488 HydrophobicContact CB-CE3 3.62Å; L479-W488 HydrophobicContact CB-CZ3 3.97Å; K480-W488 CarbonylContact O-C 3.58Å; K480-W488 WeakPolarHBondContact O-CA 2.92Å; Y481-W488 VanDerWaalsContact CB-CZ3 3.49Å; Y481-W488 AromaticContact CD2-CD1 3.97Å; Y481-W488 HydrophobicContact CD2-CD2 4.15Å; Y481-W488 AromaticContact CD2-CE2 3.84Å; Y481-W488 HydrophobicContact CD2-CG 4.23Å; Y481-W488 HydrophobicContact CD2-CZ2 4.33Å; Y481-W488 AromaticContact CD2-NE1 3.71Å; Y481-W488 HydrophobicContact CG-CD2 4.28Å; Y481-W488 AromaticContact CG-CE2 3.95Å; Y481-W488 HydrophobicContact CG-CH2 4.39Å; Y481-W488 HydrophobicContact CG-CZ2 4.01Å |
| 489 | T | 95.1 | Very high | 92.8 | Very high | 70 Ų | 70 | 42.2 Ų | 42.2 | 43% | 0.429 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 141.7 | 175.3 | 48.9 | 0 | 0 | 0 | 0 | 108.9 | L479 K480 | L479-T489 CarbonylContact C-O 3.52Å; L479-T489 WeakPolarHBondContact CA-O 3.29Å; K480-T489 PolarHBondContact N-O 3.17Å; K480-T489 PolarHBondContact O-N 3.31Å; K480-T489 PolarHBondContact O-OG1 3.25Å; K480-T489 VanDerWaalsContact O-OG1 3.07Å |
| 490 | A | 94 | Very high | 92.4 | Very high | 85 Ų | 85 | 47.8 Ų | 47.8 | 70% | 0.702 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 139.7 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | L479 | L479-A490 HydrophobicContact CD2-CB 4.46Å |
| 491 | V | 92.8 | Very high | 91.9 | Very high | 18 Ų | 18 | 45.8 Ų | 45.8 | 11% | 0.109 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 176.6 | 172.7 | -61.3 | 0 | 0 | 0 | 0 | 109.3 | Y464 C478 K480 S493 Y528 | Y464-V491 HydrophobicContact CD1-CG2 4.45Å; Y464-V491 HydrophobicContact CE1-CG1 4.44Å; C478-V491 HydrophobicContact CB-CG2 3.48Å; C478-V491 VanDerWaalsContact CB-CG2 3.48Å; C478-V491 PolarHBondContact O-N 2.9Å; C478-V491 VanDerWaalsContact O-N 3.11Å; K480-V491 HydrophobicContact CB-CG1 3.69Å; K480-V491 HydrophobicContact CD-CG1 4.35Å; V491-S493 PolarHBondContact O-N 3.47Å; V491-Y528 HydrophobicContact CB-CE2 4.45Å |
| 492 | A | 90.2 | Very high | 91.3 | Very high | 29 Ų | 29 | 46 Ų | 46 | 24% | 0.24 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -53.2 | 128.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C478 Y528 D533 | C478-A492 VanDerWaalsContact CB-O 3.31Å; C478-A492 WeakPolarHBondContact CB-O 3.49Å; C478-A492 PolarHBondContact SG-O 3.45Å; A492-Y528 HydrophobicContact CB-CD2 4.25Å; A492-Y528 HydrophobicContact CB-CE2 3.87Å; A492-D533 WeakPolarHBondContact CB-O 3.47Å; A492-D533 WeakPolarHBondContact CB-OD1 3.5Å; A492-D533 PolarHBondContact N-OD1 3.33Å |
| 493 | S | 92.3 | Very high | 90.9 | Very high | 53 Ų | 53 | 45.2 Ų | 45.2 | 37% | 0.371 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -74 | 157.2 | 179.9 | -61 | 0 | 0 | 0 | 0 | 111.2 | N476 V491 | N476-S493 CarbonylContact O-C 3.55Å; N476-S493 WeakPolarHBondContact O-CA 3.4Å; N476-S493 WeakPolarHBondContact O-CB 3.5Å; V491-S493 PolarHBondContact O-N 3.47Å |
| 494 | L | 90.1 | Very high | 90.8 | Very high | 8 Ų | 8 | 45.1 Ų | 45.1 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 153.5 | 168.6 | -62.3 | 178.2 | 0 | 0 | 0 | 110.7 | I466 N476 A496 R498 M501 A512 E526 | I466-L494 HydrophobicContact CG2-CD1 3.75Å; I466-L494 HydrophobicContact CG2-CD2 4.03Å; I466-L494 HydrophobicContact CG2-CG 4.04Å; N476-L494 HydrophobicContact CB-CB 4.13Å; N476-L494 PolarHBondContact ND2-O 3.41Å; N476-L494 VanDerWaalsContact ND2-O 3.12Å; N476-L494 PolarHBondContact O-N 3.43Å; L494-A496 VanDerWaalsContact C-N 3.33Å; L494-A496 VanDerWaalsContact CB-O 3.26Å; L494-A496 WeakPolarHBondContact CB-O 3.36Å; L494-R498 HydrophobicContact CD1-CB 3.86Å; L494-M501 HydrophobicContact CD1-CE 4.3Å; L494-M501 HydrophobicContact CD1-SD 4.34Å; L494-A512 HydrophobicContact CD1-CB 4.4Å; L494-A512 HydrophobicContact CD2-CB 4.05Å; L494-E526 HydrophobicContact CD2-CB 4.29Å |
| 495 | N | 87.2 | Confident | 90.6 | Very high | 107 Ų | 107 | 43.9 Ų | 43.9 | 57% | 0.572 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -71.4 | -33.4 | 174.4 | -59.2 | -75 | 0 | 0 | 0 | 111.3 | E526 | N495-E526 WeakPolarHBondContact CA-OE2 3.31Å; N495-E526 VanDerWaalsContact CB-OE2 3.26Å; N495-E526 WeakPolarHBondContact CB-OE2 3.42Å; N495-E526 PolarHBondContact N-OE2 3.25Å; N495-E526 PolarHBondContact ND2-OE2 2.91Å; N495-E526 VanDerWaalsContact ND2-OE2 3.15Å |
| 496 | A | 85.7 | Confident | 90 | Very high | 29 Ų | 29 | 41.5 Ų | 41.5 | 24% | 0.24 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -116.6 | 140.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | L494 R498 L522 | L494-A496 VanDerWaalsContact C-N 3.33Å; L494-A496 VanDerWaalsContact CB-O 3.26Å; L494-A496 WeakPolarHBondContact CB-O 3.36Å; A496-R498 PolarHBondContact O-N 3.01Å; A496-L522 HydrophobicContact CB-CD1 4.32Å |
| 497 | S | 91.7 | Very high | 89.3 | Confident | 35 Ų | 35 | 43.7 Ų | 43.7 | 25% | 0.245 | 26% | 0.257 | C | S | . | . | trans | -59.1 | 134.6 | 167.1 | -71.4 | 0 | 0 | 0 | 0 | 109.9 | V474 D517 L522 | V474-S497 WeakPolarHBondContact O-CB 3.47Å; V474-S497 PolarHBondContact O-OG 3.47Å; V474-S497 VanDerWaalsContact O-OG 3.07Å; S497-D517 WeakPolarHBondContact O-CB 3.38Å; S497-L522 WeakPolarHBondContact O-CD1 3.38Å | ||
| 498 | R | 92.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -147.5 | 129.3 | -172.4 | -160.7 | 176.9 | -76.6 | -104.3 | 10.5 | 111.2 | G468 V474 L475 L494 A496 M501 A514 C516 L522 S524 E526 | G468-R498 PolarHBondContact N-O 3.37Å; V474-R498 VanDerWaalsContact CG1-N 3.25Å; L475-R498 PolarHBondContact O-N 3.27Å; L494-R498 HydrophobicContact CD1-CB 3.86Å; A496-R498 PolarHBondContact O-N 3.01Å; R498-M501 VanDerWaalsContact C-CE 3.48Å; R498-M501 HydrophobicContact CB-CE 3.63Å; R498-M501 HydrophobicContact CB-SD 4.16Å; R498-M501 VanDerWaalsContact CD-SD 3.59Å; R498-M501 HydrophobicContact CG-CB 3.86Å; R498-M501 HydrophobicContact CG-CE 3.79Å; R498-M501 HydrophobicContact CG-CG 4.42Å; R498-M501 HydrophobicContact CG-SD 3.84Å; R498-M501 WeakPolarHBondContact O-CE 3.4Å; R498-A514 WeakPolarHBondContact CD-O 3.35Å; R498-A514 WeakPolarHBondContact CG-O 3.36Å; R498-A514 VanDerWaalsContact NH1-CA 3.31Å; R498-A514 VanDerWaalsContact NH1-N 3.2Å; R498-A514 PolarHBondContact NH1-O 3.49Å; R498-C516 CarbonylContact C-O 3.48Å; R498-C516 VanDerWaalsContact CA-O 3.3Å; R498-C516 WeakPolarHBondContact CA-O 3.45Å; R498-L522 HydrophobicContact CB-CD1 4.31Å; R498-L522 HydrophobicContact CG-CD1 3.98Å; R498-S524 PolarHBondContact NH1-O 3Å; R498-S524 PolarHBondContact NH2-O 3.35Å; R498-S524 PolarHBondContact NH2-OG 2.78Å; R498-E526 IonicContact CZ-OE1 2.9Å; R498-E526 IonicContact NE-OE1 3.66Å; R498-E526 IonicContact NH2-OE1 3.97Å; R498-E526 PolarHBondContact NH2-OE1 3.22Å | ||
| 499 | A | 89.7 | Confident | 87.9 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -128.2 | 169.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110 | V474 M501 G515 C516 | V474-A499 HydrophobicContact CG1-CB 3.81Å; V474-A499 HydrophobicContact CG2-CB 4.25Å; A499-M501 PolarHBondContact O-N 2.96Å; A499-G515 CarbonylContact O-C 3.54Å; A499-G515 WeakPolarHBondContact O-CA 3.47Å; A499-C516 PolarHBondContact N-O 2.9Å; A499-C516 PolarHBondContact O-N 2.82Å |
| 500 | E | 85.4 | Confident | 87.6 | Confident | 128 Ų | 128 | 43.4 Ų | 43.4 | 60% | 0.598 | 25% | 0.254 | S | S | * | . | S | Bend | trans | 54.3 | 26.2 | 178.9 | -58.7 | -177.1 | -174.6 | 0 | 0 | 113.5 | S453 | S453-E500 PolarHBondContact O-N 3.31Š|
| 501 | M | 85.3 | Confident | 87.3 | Confident | 17 Ų | 17 | 40.9 Ų | 40.9 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | trans | -86.5 | 156.5 | -176.8 | 75.8 | -171.6 | 97.9 | 0 | 0 | 111.8 | I466 L494 R498 A499 C503 A512 A514 | I466-M501 HydrophobicContact CG2-CE 4.31Å; I466-M501 HydrophobicContact CG2-SD 4Å; I466-M501 VanDerWaalsContact O-CE 3.27Å; I466-M501 WeakPolarHBondContact O-CE 3.3Å; L494-M501 HydrophobicContact CD1-CE 4.3Å; L494-M501 HydrophobicContact CD1-SD 4.34Å; R498-M501 VanDerWaalsContact C-CE 3.48Å; R498-M501 HydrophobicContact CB-CE 3.63Å; R498-M501 HydrophobicContact CB-SD 4.16Å; R498-M501 VanDerWaalsContact CD-SD 3.59Å; R498-M501 HydrophobicContact CG-CB 3.86Å; R498-M501 HydrophobicContact CG-CE 3.79Å; R498-M501 HydrophobicContact CG-CG 4.42Å; R498-M501 HydrophobicContact CG-SD 3.84Å; R498-M501 WeakPolarHBondContact O-CE 3.4Å; A499-M501 PolarHBondContact O-N 2.96Å; M501-C503 VanDerWaalsContact SD-SG 3.65Å; M501-A512 HydrophobicContact SD-CB 3.7Å; M501-A514 WeakPolarHBondContact CB-O 3.33Å | ||
| 502 | A | 83.6 | Confident | 87.2 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 7% | 0.066 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 141.7 | 161 | 0 | 0 | 0 | 0 | 0 | 109.7 | I513 L547 | A502-I513 HydrophobicContact CB-CB 4.35Å; A502-I513 PolarHBondContact N-O 3.27Å; A502-I513 PolarHBondContact O-N 2.76Å; A502-L547 HydrophobicContact CB-CB 3.61Å |
| 503 | C | 87.7 | Confident | 86.8 | Confident | 22 Ų | 22 | 39.1 Ų | 39.1 | 15% | 0.149 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 131 | 173.6 | -85.8 | 0 | 0 | 0 | 0 | 110.5 | V457 M501 Y511 | V457-C503 HydrophobicContact CG1-CB 3.87Å; M501-C503 VanDerWaalsContact SD-SG 3.65Å; C503-Y511 VanDerWaalsContact CA-O 3.28Å; C503-Y511 WeakPolarHBondContact CA-O 3.19Å |
| 504 | V | 88.4 | Confident | 86.2 | Confident | 9 Ų | 9 | 36.8 Ų | 36.8 | 6% | 0.055 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 162.6 | 178.7 | -62.8 | 0 | 0 | 0 | 0 | 111.8 | I510 Y511 I513 L547 L549 L561 | V504-I510 CarbonylContact O-C 3.04Å; V504-I510 WeakPolarHBondContact O-CA 3.23Å; V504-Y511 PolarHBondContact N-O 3.24Å; V504-Y511 VanDerWaalsContact N-O 3.12Å; V504-Y511 PolarHBondContact O-N 3.4Å; V504-I513 HydrophobicContact CG2-CD1 4.16Å; V504-L547 HydrophobicContact CB-CD2 4Å; V504-L547 VanDerWaalsContact CG1-C 3.5Å; V504-L547 HydrophobicContact CG1-CB 3.9Å; V504-L547 HydrophobicContact CG1-CD2 3.43Å; V504-L547 VanDerWaalsContact CG1-CD2 3.43Å; V504-L547 HydrophobicContact CG1-CG 4.08Å; V504-L547 WeakPolarHBondContact CG1-O 3.48Å; V504-L547 HydrophobicContact CG2-CD2 3.35Å; V504-L549 HydrophobicContact CB-CD1 4.1Å; V504-L549 HydrophobicContact CG2-CD1 3.92Å; V504-L561 HydrophobicContact CG2-CD1 3.95Å |
| 505 | T | 87.7 | Confident | 85.7 | Confident | 60 Ų | 60 | 36.6 Ų | 36.6 | 37% | 0.368 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128 | 178.3 | 53.9 | 0 | 0 | 0 | 0 | 111 | V457 V459 R509 I510 L549 | V457-T505 HydrophobicContact CB-CG2 3.69Å; V457-T505 HydrophobicContact CG1-CG2 4.18Å; V457-T505 HydrophobicContact CG2-CG2 3.75Å; V459-T505 HydrophobicContact CG2-CG2 3.41Å; V459-T505 VanDerWaalsContact CG2-CG2 3.41Å; T505-R509 CarbonylContact C-O 3.48Å; T505-R509 VanDerWaalsContact CA-O 3.29Å; T505-R509 WeakPolarHBondContact CA-O 3.48Å; T505-I510 HydrophobicContact CG2-CG1 4.21Å; T505-L549 WeakPolarHBondContact O-CD1 3.49Å |
| 506 | W | 82.2 | Confident | 85.4 | Confident | 47 Ų | 47 | 32.8 Ų | 32.8 | 18% | 0.178 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 127.7 | 177.7 | -168.6 | 50.6 | 0 | 0 | 0 | 111.5 | G508 R509 Y511 L549 D559 L581 | W506-G508 VanDerWaalsContact C-N 3.29Å; W506-G508 PolarHBondContact O-N 3.03Å; W506-R509 PolarHBondContact N-O 2.92Å; W506-R509 WeakPolarHBondContact O-CB 3.1Å; W506-R509 PolarHBondContact O-N 3.4Å; W506-Y511 HydrophobicContact CB-CD2 4.05Å; W506-Y511 HydrophobicContact CB-CE2 3.61Å; W506-Y511 HydrophobicContact CE3-CE2 4.09Å; W506-Y511 AromaticContact CE3-CZ 3.82Å; W506-L549 HydrophobicContact CB-CD1 3.4Å; W506-L549 VanDerWaalsContact CB-CD1 3.4Å; W506-L549 HydrophobicContact CG-CD1 3.87Å; W506-L549 HydrophobicContact CG-CD2 4.48Å; W506-D559 HydrophobicContact CZ2-CB 4.13Å; W506-D559 PolarHBondContact NE1-OD1 3.38Å; W506-L581 HydrophobicContact CD2-CD1 3.54Å; W506-L581 HydrophobicContact CE3-CD1 3.73Å; W506-L581 HydrophobicContact CG-CD1 4.06Å; W506-L581 HydrophobicContact CH2-CB 3.54Å; W506-L581 HydrophobicContact CH2-CD1 4.09Å; W506-L581 HydrophobicContact CH2-CG 4.4Å; W506-L581 HydrophobicContact CZ2-CB 3.43Å; W506-L581 VanDerWaalsContact CZ2-CB 3.43Å; W506-L581 HydrophobicContact CZ2-CD1 3.88Å; W506-L581 HydrophobicContact CZ2-CG 4.32Å; W506-L581 HydrophobicContact CZ3-CB 4.18Å; W506-L581 HydrophobicContact CZ3-CD1 4.02Å |
| 507 | K | 79.9 | Confident | 85.5 | Confident | 124 Ų | 124 | 33.2 Ų | 33.2 | 54% | 0.539 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.4 | 52.2 | 176.1 | -67.1 | -176.4 | 178.2 | 169.6 | 0 | 112.9 | R509 D559 N582 | K507-R509 VanDerWaalsContact C-N 3.29Å; K507-R509 PolarHBondContact O-N 3.5Å; K507-D559 VanDerWaalsContact CE-OD1 3.32Å; K507-D559 WeakPolarHBondContact CE-OD1 3.43Å; K507-D559 VanDerWaalsContact CE-OD2 3.26Å; K507-D559 WeakPolarHBondContact CE-OD2 3.43Å; K507-D559 IonicContact NZ-OD1 3.78Å; K507-D559 IonicContact NZ-OD2 2.91Å; K507-D559 PolarHBondContact NZ-OD2 3.44Å; K507-N582 PolarHBondContact NZ-OD1 3.26Å |
| 508 | G | 79.4 | Confident | 85.1 | Confident | 40 Ų | 40 | 35.2 Ų | 35.2 | 41% | 0.412 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 9.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | W506 V530 | W506-G508 VanDerWaalsContact C-N 3.29Å; W506-G508 PolarHBondContact O-N 3.03Å; G508-V530 WeakPolarHBondContact O-CB 3.15Å; G508-V530 WeakPolarHBondContact O-CG2 3.48Å; G508-V530 PolarHBondContact O-N 2.91Å |
| 509 | R | 84.6 | Confident | 84.5 | Confident | 86 Ų | 86 | 45.9 Ų | 45.9 | 33% | 0.325 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 148.5 | 179.7 | -65.9 | 168.7 | 176.4 | 164.3 | 3.7 | 111.4 | T505 W506 K507 Y511 Y527 Y528 | T505-R509 CarbonylContact C-O 3.48Å; T505-R509 VanDerWaalsContact CA-O 3.29Å; T505-R509 WeakPolarHBondContact CA-O 3.48Å; W506-R509 PolarHBondContact N-O 2.92Å; W506-R509 WeakPolarHBondContact O-CB 3.1Å; W506-R509 PolarHBondContact O-N 3.4Å; K507-R509 VanDerWaalsContact C-N 3.29Å; K507-R509 PolarHBondContact O-N 3.5Å; R509-Y511 HydrophobicContact CB-CD2 4.33Å; R509-Y511 HydrophobicContact CB-CE2 3.6Å; R509-Y527 HydrophobicContact CB-CD2 4.34Å; R509-Y527 HydrophobicContact CG-CD2 4.09Å; R509-Y528 CarbonylContact C-O 3.54Å; R509-Y528 VanDerWaalsContact CA-O 3.23Å; R509-Y528 WeakPolarHBondContact CA-O 3.48Å |
| 510 | I | 90.1 | Very high | 84 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 125.6 | 172.2 | -58.2 | 172.2 | 0 | 0 | 0 | 107.7 | V457 V459 Y464 I466 V504 T505 Y527 Y528 V530 | V457-I510 HydrophobicContact CG2-CB 4.48Å; V457-I510 HydrophobicContact CG2-CD1 3.88Å; V457-I510 HydrophobicContact CG2-CG1 3.95Å; V457-I510 HydrophobicContact CG2-CG2 3.77Å; V459-I510 HydrophobicContact CG2-CD1 4.07Å; V459-I510 HydrophobicContact CG2-CG1 3.86Å; Y464-I510 HydrophobicContact CD1-CD1 3.64Å; Y464-I510 HydrophobicContact CD2-CD1 3.89Å; Y464-I510 HydrophobicContact CE1-CD1 4.23Å; Y464-I510 HydrophobicContact CE2-CD1 4.45Å; Y464-I510 HydrophobicContact CG-CD1 3.45Å; Y464-I510 VanDerWaalsContact CG-CD1 3.45Å; I466-I510 HydrophobicContact CG1-CG2 4.28Å; V504-I510 CarbonylContact O-C 3.04Å; V504-I510 WeakPolarHBondContact O-CA 3.23Å; T505-I510 HydrophobicContact CG2-CG1 4.21Å; I510-Y527 CarbonylContact O-C 3.54Å; I510-Y527 WeakPolarHBondContact O-CA 3.29Å; I510-Y527 WeakPolarHBondContact O-CB 3.14Å; I510-Y528 HydrophobicContact CD1-CD1 3.97Å; I510-Y528 HydrophobicContact CD1-CE1 4.5Å; I510-Y528 HydrophobicContact CG1-CD1 4.39Å; I510-Y528 PolarHBondContact N-O 3.27Å; I510-Y528 PolarHBondContact O-N 2.8Å; I510-V530 HydrophobicContact CD1-CG2 4.08Å; I510-V530 HydrophobicContact CG1-CG2 4Å |
| 511 | Y | 87.7 | Confident | 83.6 | Confident | 33 Ų | 33 | 48.8 Ų | 48.8 | 13% | 0.129 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 120.3 | 178.4 | -66.9 | -102.5 | 0 | 0 | 0 | 109.7 | C503 V504 W506 R509 V525 E526 Y527 | C503-Y511 VanDerWaalsContact CA-O 3.28Å; C503-Y511 WeakPolarHBondContact CA-O 3.19Å; V504-Y511 PolarHBondContact N-O 3.24Å; V504-Y511 VanDerWaalsContact N-O 3.12Å; V504-Y511 PolarHBondContact O-N 3.4Å; W506-Y511 HydrophobicContact CB-CD2 4.05Å; W506-Y511 HydrophobicContact CB-CE2 3.61Å; W506-Y511 HydrophobicContact CE3-CE2 4.09Å; W506-Y511 AromaticContact CE3-CZ 3.82Å; R509-Y511 HydrophobicContact CB-CD2 4.33Å; R509-Y511 HydrophobicContact CB-CE2 3.6Å; Y511-V525 HydrophobicContact CD1-CG1 4.09Å; Y511-E526 CarbonylContact C-O 3.46Å; Y511-E526 WeakPolarHBondContact CA-O 3.38Å; Y511-Y527 HydrophobicContact CE1-CD1 4.27Å; Y511-Y527 HydrophobicContact CE1-CG 4.14Å |
| 512 | A | 89.2 | Confident | 83 | Confident | 3 Ų | 3 | 49 Ų | 49 | 3% | 0.025 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 115.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | I466 L494 M501 V525 E526 | I466-A512 HydrophobicContact CG2-CB 4.31Å; L494-A512 HydrophobicContact CD1-CB 4.4Å; L494-A512 HydrophobicContact CD2-CB 4.05Å; M501-A512 HydrophobicContact SD-CB 3.7Å; A512-V525 WeakPolarHBondContact O-CA 3.46Å; A512-E526 PolarHBondContact N-O 3.01Å; A512-E526 PolarHBondContact O-N 3.04Å |
| 513 | I | 82.8 | Confident | 82.5 | Confident | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 127.5 | -165.9 | -67.1 | 159.1 | 0 | 0 | 0 | 110 | A502 V504 V525 L542 L547 L561 | A502-I513 HydrophobicContact CB-CB 4.35Å; A502-I513 PolarHBondContact N-O 3.27Å; A502-I513 PolarHBondContact O-N 2.76Å; V504-I513 HydrophobicContact CG2-CD1 4.16Å; I513-V525 HydrophobicContact CB-CG2 4.26Å; I513-V525 HydrophobicContact CG1-CB 4.26Å; I513-V525 HydrophobicContact CG1-CG1 3.59Å; I513-V525 HydrophobicContact CG1-CG2 3.8Å; I513-V525 HydrophobicContact CG2-CG2 4.08Å; I513-L542 HydrophobicContact CG2-CB 4.24Å; I513-L542 HydrophobicContact CG2-CD1 3.46Å; I513-L542 VanDerWaalsContact CG2-CD1 3.46Å; I513-L542 HydrophobicContact CG2-CG 4.47Å; I513-L547 HydrophobicContact CD1-CD1 4.39Å; I513-L547 HydrophobicContact CD1-CD2 3.22Å; I513-L547 HydrophobicContact CD1-CG 4.28Å; I513-L561 HydrophobicContact CD1-CD2 4.38Å |
| 514 | A | 79.3 | Confident | 82 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 3% | 0.033 | 27% | 0.266 | C | S | . | . | S | Bend | trans | 51.8 | -154.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | R498 M501 L522 S524 | R498-A514 WeakPolarHBondContact CD-O 3.35Å; R498-A514 WeakPolarHBondContact CG-O 3.36Å; R498-A514 VanDerWaalsContact NH1-CA 3.31Å; R498-A514 VanDerWaalsContact NH1-N 3.2Å; R498-A514 PolarHBondContact NH1-O 3.49Å; M501-A514 WeakPolarHBondContact CB-O 3.33Å; A514-L522 CarbonylContact C-O 3.59Å; A514-L522 WeakPolarHBondContact CA-O 3.42Å; A514-L522 WeakPolarHBondContact CB-O 3.33Å; A514-S524 PolarHBondContact N-O 3.1Å; A514-S524 VanDerWaalsContact N-O 3.15Å |
| 515 | G | 79.5 | Confident | 81.6 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | trans | 102.8 | -152.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A499 K521 L522 | A499-G515 CarbonylContact O-C 3.54Å; A499-G515 WeakPolarHBondContact O-CA 3.47Å; G515-K521 CarbonylContact O-C 3.58Å; G515-L522 PolarHBondContact O-N 3.24Å | ||
| 516 | C | 81.6 | Confident | 81.5 | Confident | 26 Ų | 26 | 52.5 Ų | 52.5 | 18% | 0.176 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -141.7 | 150.8 | -179.4 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | R498 A499 N520 | R498-C516 CarbonylContact C-O 3.48Å; R498-C516 VanDerWaalsContact CA-O 3.3Å; R498-C516 WeakPolarHBondContact CA-O 3.45Å; A499-C516 PolarHBondContact N-O 2.9Å; A499-C516 PolarHBondContact O-N 2.82Å; C516-N520 CarbonylContact C-O 3.58Å; C516-N520 VanDerWaalsContact CA-O 3.23Å; C516-N520 WeakPolarHBondContact CA-O 3.43Å; C516-N520 WeakPolarHBondContact CB-O 3.35Å |
| 517 | D | 87 | Confident | 81.6 | Confident | 38 Ų | 38 | 51.7 Ų | 51.7 | 20% | 0.203 | 25% | 0.246 | C | C | . | . | trans | -95.1 | -172.6 | 158.3 | 65.7 | 37.6 | 0 | 0 | 0 | 109.4 | S497 W519 N520 L522 | S497-D517 WeakPolarHBondContact O-CB 3.38Å; D517-W519 PolarHBondContact O-N 2.91Å; D517-W519 WeakPolarHBondContact OD1-CA 3.33Å; D517-W519 PolarHBondContact OD1-N 2.99Å; D517-N520 PolarHBondContact N-O 2.9Å; D517-N520 PolarHBondContact OD1-N 3.37Å; D517-L522 HydrophobicContact CB-CD1 4.33Å | ||
| 518 | D | 83.5 | Confident | 81.8 | Confident | 77 Ų | 77 | 46.3 Ų | 46.3 | 41% | 0.412 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -58.8 | -18.4 | 180 | -64.3 | -56.3 | 0 | 0 | 0 | 114 | K473 V474 | K473-D518 WeakPolarHBondContact CA-OD1 3.48Å; V474-D518 WeakPolarHBondContact CG2-OD1 3.41Å; V474-D518 PolarHBondContact N-OD1 3.11Å |
| 519 | W | 80.7 | Confident | 81.9 | Confident | 225 Ų | 225 | 44.8 Ų | 44.8 | 85% | 0.852 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -127.7 | -28 | -169.7 | -56.1 | 109.4 | 0 | 0 | 0 | 114.5 | D517 | D517-W519 PolarHBondContact O-N 2.91Å; D517-W519 WeakPolarHBondContact OD1-CA 3.33Å; D517-W519 PolarHBondContact OD1-N 2.99Å |
| 520 | N | 78.7 | Confident | 81.8 | Confident | 99 Ų | 99 | 41.8 Ų | 41.8 | 53% | 0.529 | 20% | 0.197 | S | C | . | . | trans | -138.1 | 146.6 | -165.2 | -57.7 | -73.4 | 0 | 0 | 0 | 112.2 | C516 D517 | C516-N520 CarbonylContact C-O 3.58Å; C516-N520 VanDerWaalsContact CA-O 3.23Å; C516-N520 WeakPolarHBondContact CA-O 3.43Å; C516-N520 WeakPolarHBondContact CB-O 3.35Å; D517-N520 PolarHBondContact N-O 2.9Å; D517-N520 PolarHBondContact OD1-N 3.37Å | ||
| 521 | K | 76.4 | Confident | 81.3 | Confident | 93 Ų | 93 | 50.3 Ų | 50.3 | 40% | 0.404 | 24% | 0.237 | S | C | . | . | B | Isolated β-bridge | trans | -71.4 | 127.5 | 162.1 | -67.5 | 176.8 | 173.3 | -172.2 | 0 | 109 | G515 I544 | G515-K521 CarbonylContact O-C 3.58Å; K521-I544 HydrophobicContact CD-CD1 3.76Å; K521-I544 HydrophobicContact CG-CD1 4.18Å |
| 522 | L | 74.1 | Confident | 80.7 | Confident | 21 Ų | 21 | 54.6 Ų | 54.6 | 11% | 0.11 | 26% | 0.258 | C | S | . | . | trans | -91.9 | 130.5 | 177.8 | -61.7 | 179.9 | 0 | 0 | 0 | 109.5 | A496 S497 R498 A514 G515 D517 | A496-L522 HydrophobicContact CB-CD1 4.32Å; S497-L522 WeakPolarHBondContact O-CD1 3.38Å; R498-L522 HydrophobicContact CB-CD1 4.31Å; R498-L522 HydrophobicContact CG-CD1 3.98Å; A514-L522 CarbonylContact C-O 3.59Å; A514-L522 WeakPolarHBondContact CA-O 3.42Å; A514-L522 WeakPolarHBondContact CB-O 3.33Å; G515-L522 PolarHBondContact O-N 3.24Å; D517-L522 HydrophobicContact CB-CD1 4.33Å | ||
| 523 | Y | 71.9 | Confident | 80.1 | Confident | 123 Ų | 123 | 58.1 Ų | 58.1 | 48% | 0.482 | 28% | 0.276 | S | S | . | . | trans | -102.2 | -12.7 | 173 | -58.9 | -78.2 | 0 | 0 | 0 | 112.2 | Y540 L542 | Y523-Y540 CarbonylContact C-O 3.49Å; Y523-L542 WeakPolarHBondContact CD1-O 3.34Å | ||
| 524 | S | 76.7 | Confident | 79.4 | Confident | 38 Ų | 38 | 63.8 Ų | 63.8 | 27% | 0.266 | 30% | 0.303 | S | S | . | . | trans | -72.9 | 162.6 | -176.9 | 52.6 | 0 | 0 | 0 | 0 | 112.9 | R498 A514 | R498-S524 PolarHBondContact NH1-O 3Å; R498-S524 PolarHBondContact NH2-O 3.35Å; R498-S524 PolarHBondContact NH2-OG 2.78Å; A514-S524 PolarHBondContact N-O 3.1Å; A514-S524 VanDerWaalsContact N-O 3.15Å | ||
| 525 | V | 80.6 | Confident | 78.7 | Confident | 6 Ų | 6 | 64.8 Ų | 64.8 | 4% | 0.036 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 138.7 | 173.6 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | Y511 A512 I513 K538 Y540 L542 | Y511-V525 HydrophobicContact CD1-CG1 4.09Å; A512-V525 WeakPolarHBondContact O-CA 3.46Å; I513-V525 HydrophobicContact CB-CG2 4.26Å; I513-V525 HydrophobicContact CG1-CB 4.26Å; I513-V525 HydrophobicContact CG1-CG1 3.59Å; I513-V525 HydrophobicContact CG1-CG2 3.8Å; I513-V525 HydrophobicContact CG2-CG2 4.08Å; V525-K538 CarbonylContact C-O 3.59Å; V525-K538 PolarHBondContact N-O 2.86Å; V525-K538 CarbonylContact O-C 3.6Å; V525-K538 PolarHBondContact O-N 3.4Å; V525-Y540 HydrophobicContact CB-CD2 4.2Å; V525-Y540 HydrophobicContact CG2-CD2 4.24Å; V525-L542 HydrophobicContact CG2-CD1 4.09Å |
| 526 | E | 84.7 | Confident | 77.8 | Confident | 5 Ų | 5 | 66.4 Ų | 66.4 | 2% | 0.023 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 147 | 171.5 | -68.3 | 175.1 | -111 | 0 | 0 | 108 | L494 N495 R498 Y511 A512 A537 | L494-E526 HydrophobicContact CD2-CB 4.29Å; N495-E526 WeakPolarHBondContact CA-OE2 3.31Å; N495-E526 VanDerWaalsContact CB-OE2 3.26Å; N495-E526 WeakPolarHBondContact CB-OE2 3.42Å; N495-E526 PolarHBondContact N-OE2 3.25Å; N495-E526 PolarHBondContact ND2-OE2 2.91Å; N495-E526 VanDerWaalsContact ND2-OE2 3.15Å; R498-E526 IonicContact CZ-OE1 2.9Å; R498-E526 IonicContact NE-OE1 3.66Å; R498-E526 IonicContact NH2-OE1 3.97Å; R498-E526 PolarHBondContact NH2-OE1 3.22Å; Y511-E526 CarbonylContact C-O 3.46Å; Y511-E526 WeakPolarHBondContact CA-O 3.38Å; A512-E526 PolarHBondContact N-O 3.01Å; A512-E526 PolarHBondContact O-N 3.04Å; E526-A537 HydrophobicContact CG-CB 4.25Å |
| 527 | Y | 85.3 | Confident | 76 | Confident | 31 Ų | 31 | 68.6 Ų | 68.6 | 12% | 0.122 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 145.3 | 169.5 | 72.6 | -91.6 | 0 | 0 | 0 | 111.7 | R509 I510 Y511 S536 K538 | R509-Y527 HydrophobicContact CB-CD2 4.34Å; R509-Y527 HydrophobicContact CG-CD2 4.09Å; I510-Y527 CarbonylContact O-C 3.54Å; I510-Y527 WeakPolarHBondContact O-CA 3.29Å; I510-Y527 WeakPolarHBondContact O-CB 3.14Å; Y511-Y527 HydrophobicContact CE1-CD1 4.27Å; Y511-Y527 HydrophobicContact CE1-CG 4.14Å; Y527-S536 VanDerWaalsContact CE1-OG 3.25Å; Y527-S536 WeakPolarHBondContact CE1-OG 3.3Å; Y527-S536 WeakPolarHBondContact CE2-OG 3.49Å; Y527-S536 PolarHBondContact N-O 2.96Å; Y527-S536 PolarHBondContact O-N 3.08Å; Y527-S536 PolarHBondContact OH-OG 3.26Å; Y527-S536 VanDerWaalsContact OH-OG 3.11Å; Y527-K538 HydrophobicContact CD1-CD 4.36Å; Y527-K538 HydrophobicContact CE1-CD 3.7Å; Y527-K538 HydrophobicContact CE1-CG 3.95Å |
| 528 | Y | 83.4 | Confident | 74.2 | Confident | 10 Ų | 10 | 71.5 Ų | 71.5 | 4% | 0.039 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.4 | 176.5 | 171 | -93.8 | 0 | 0 | 0 | 109 | Y464 V491 A492 R509 I510 V530 D533 E534 | Y464-Y528 HydrophobicContact CE1-CE1 4Å; V491-Y528 HydrophobicContact CB-CE2 4.45Å; A492-Y528 HydrophobicContact CB-CD2 4.25Å; A492-Y528 HydrophobicContact CB-CE2 3.87Å; R509-Y528 CarbonylContact C-O 3.54Å; R509-Y528 VanDerWaalsContact CA-O 3.23Å; R509-Y528 WeakPolarHBondContact CA-O 3.48Å; I510-Y528 HydrophobicContact CD1-CD1 3.97Å; I510-Y528 HydrophobicContact CD1-CE1 4.5Å; I510-Y528 HydrophobicContact CG1-CD1 4.39Å; I510-Y528 PolarHBondContact N-O 3.27Å; I510-Y528 PolarHBondContact O-N 2.8Å; Y528-V530 HydrophobicContact CD1-CG2 3.89Å; Y528-V530 HydrophobicContact CE1-CB 4.29Å; Y528-V530 HydrophobicContact CE1-CG2 3.85Å; Y528-D533 HydrophobicContact CE2-CB 4.47Å; Y528-D533 WeakPolarHBondContact CE2-OD1 3.48Å; Y528-D533 WeakPolarHBondContact OH-CA 3.4Å; Y528-D533 VanDerWaalsContact OH-CG 3.28Å; Y528-D533 PolarHBondContact OH-OD1 3.09Å; Y528-E534 WeakPolarHBondContact CA-O 3.2Å |
| 529 | S | 82.6 | Confident | 71.6 | Confident | 8 Ų | 8 | 78.8 Ų | 78.8 | 6% | 0.056 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 112.8 | 175.3 | -171.7 | 0 | 0 | 0 | 0 | 108.9 | E531 E532 D533 E534 | S529-E531 PolarHBondContact O-N 3.19Å; S529-E532 WeakPolarHBondContact CB-OE2 3.33Å; S529-E532 PolarHBondContact O-N 2.84Å; S529-E532 PolarHBondContact OG-OE2 3.15Å; S529-D533 PolarHBondContact O-N 3.13Å; S529-E534 PolarHBondContact N-O 3.08Å |
| 530 | V | 82.8 | Confident | 69.8 | Low | 24 Ų | 24 | 73.6 Ų | 73.6 | 15% | 0.145 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -25.8 | -174.9 | 179.1 | 0 | 0 | 0 | 0 | 111.9 | V459 Y464 G508 I510 Y528 | V459-V530 HydrophobicContact CB-CG2 4.46Å; V459-V530 HydrophobicContact CG1-CB 4.41Å; V459-V530 HydrophobicContact CG1-CG1 4.04Å; V459-V530 HydrophobicContact CG1-CG2 4.07Å; V459-V530 HydrophobicContact CG2-CG2 4.33Å; Y464-V530 WeakPolarHBondContact OH-CG1 3.22Å; G508-V530 WeakPolarHBondContact O-CB 3.15Å; G508-V530 WeakPolarHBondContact O-CG2 3.48Å; G508-V530 PolarHBondContact O-N 2.91Å; I510-V530 HydrophobicContact CD1-CG2 4.08Å; I510-V530 HydrophobicContact CG1-CG2 4Å; Y528-V530 HydrophobicContact CD1-CG2 3.89Å; Y528-V530 HydrophobicContact CE1-CB 4.29Å; Y528-V530 HydrophobicContact CE1-CG2 3.85Å |
| 531 | E | 79.6 | Confident | 67.5 | Low | 181 Ų | 181 | 74.3 Ų | 74.3 | 85% | 0.846 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -34.4 | 177.7 | -65 | -178.5 | 175.4 | 0 | 0 | 112.7 | S529 | S529-E531 PolarHBondContact O-N 3.19Š|
| 532 | E | 74 | Confident | 65.8 | Low | 123 Ų | 123 | 70.1 Ų | 70.1 | 58% | 0.575 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -15.3 | -175.2 | -64.4 | 161.8 | 153.5 | 0 | 0 | 112.9 | S529 E534 | S529-E532 WeakPolarHBondContact CB-OE2 3.33Å; S529-E532 PolarHBondContact O-N 2.84Å; S529-E532 PolarHBondContact OG-OE2 3.15Å; E532-E534 HydrophobicContact CB-CB 4.26Å; E532-E534 HydrophobicContact CB-CG 4.27Å; E532-E534 PolarHBondContact O-N 2.61Å |
| 533 | D | 77.7 | Confident | 64.1 | Low | 78 Ų | 78 | 77.9 Ų | 77.9 | 42% | 0.417 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 42.7 | -168.8 | -166.4 | 5.9 | 0 | 0 | 0 | 111.8 | A492 Y528 S529 | A492-D533 WeakPolarHBondContact CB-O 3.47Å; A492-D533 WeakPolarHBondContact CB-OD1 3.5Å; A492-D533 PolarHBondContact N-OD1 3.33Å; Y528-D533 HydrophobicContact CE2-CB 4.47Å; Y528-D533 WeakPolarHBondContact CE2-OD1 3.48Å; Y528-D533 WeakPolarHBondContact OH-CA 3.4Å; Y528-D533 VanDerWaalsContact OH-CG 3.28Å; Y528-D533 PolarHBondContact OH-OD1 3.09Å; S529-D533 PolarHBondContact O-N 3.13Å |
| 534 | E | 67.4 | Low | 62.8 | Low | 125 Ų | 125 | 73.7 Ų | 73.7 | 58% | 0.584 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 134.7 | 180 | -72.3 | -170.7 | 174.5 | 0 | 0 | 111.6 | Y528 S529 E532 | Y528-E534 WeakPolarHBondContact CA-O 3.2Å; S529-E534 PolarHBondContact N-O 3.08Å; E532-E534 HydrophobicContact CB-CB 4.26Å; E532-E534 HydrophobicContact CB-CG 4.27Å; E532-E534 PolarHBondContact O-N 2.61Å |
| 535 | C | 64.5 | Low | 61.3 | Low | 25 Ų | 25 | 72.7 Ų | 72.7 | 17% | 0.169 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 131.4 | 172.1 | -168.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 536 | S | 59.6 | Low | 60 | Low | 39 Ų | 39 | 74.8 Ų | 74.8 | 27% | 0.273 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 140.9 | 177.1 | 58.4 | 0 | 0 | 0 | 0 | 111.9 | Y527 | Y527-S536 VanDerWaalsContact CE1-OG 3.25Å; Y527-S536 WeakPolarHBondContact CE1-OG 3.3Å; Y527-S536 WeakPolarHBondContact CE2-OG 3.49Å; Y527-S536 PolarHBondContact N-O 2.96Å; Y527-S536 PolarHBondContact O-N 3.08Å; Y527-S536 PolarHBondContact OH-OG 3.26Å; Y527-S536 VanDerWaalsContact OH-OG 3.11Å |
| 537 | A | 44.3 | Very low | 58.6 | Low | 71 Ų | 71 | 75.1 Ų | 75.1 | 59% | 0.587 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 135.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E526 | E526-A537 HydrophobicContact CG-CB 4.25Å |
| 538 | K | 49.6 | Very low | 57.2 | Low | 99 Ų | 99 | 75 Ų | 75 | 43% | 0.43 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 134.9 | 168.3 | -78.2 | -175 | -179.9 | 175.2 | 0 | 110.7 | V525 Y527 Y540 | V525-K538 CarbonylContact C-O 3.59Å; V525-K538 PolarHBondContact N-O 2.86Å; V525-K538 CarbonylContact O-C 3.6Å; V525-K538 PolarHBondContact O-N 3.4Å; Y527-K538 HydrophobicContact CD1-CD 4.36Å; Y527-K538 HydrophobicContact CE1-CD 3.7Å; Y527-K538 HydrophobicContact CE1-CG 3.95Å; K538-Y540 HydrophobicContact CB-CD2 4.39Å; K538-Y540 HydrophobicContact CB-CE2 3.95Å; K538-Y540 PolarHBondContact O-N 3.27Å |
| 539 | R | 29.9 | Very low | 55.8 | Low | 230 Ų | 230 | 75.8 Ų | 75.8 | 87% | 0.868 | 37% | 0.368 | S | S | * | . | trans | -89 | 106.9 | -175.7 | -155.4 | 171.1 | -174.8 | 154.1 | 0.3 | 110.5 | ||||
| 540 | Y | 43 | Very low | 53.9 | Low | 116 Ų | 116 | 76 Ų | 76 | 46% | 0.455 | 37% | 0.369 | S | S | . | . | trans | -112 | 160.8 | 158.4 | -63.2 | -86.2 | 0 | 0 | 0 | 107.9 | Y523 V525 K538 | Y523-Y540 CarbonylContact C-O 3.49Å; V525-Y540 HydrophobicContact CB-CD2 4.2Å; V525-Y540 HydrophobicContact CG2-CD2 4.24Å; K538-Y540 HydrophobicContact CB-CD2 4.39Å; K538-Y540 HydrophobicContact CB-CE2 3.95Å; K538-Y540 PolarHBondContact O-N 3.27Å | ||
| 541 | V | 29.8 | Very low | 52.1 | Low | 114 Ų | 114 | 85.2 Ų | 85.2 | 69% | 0.691 | 40% | 0.403 | S | S | * | . | trans | -110 | 112.1 | 174.5 | 178.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 542 | L | 40.9 | Very low | 50.1 | Low | 6 Ų | 6 | 77.4 Ų | 77.4 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | trans | -128 | 134.3 | 179.6 | -79.9 | 164 | 0 | 0 | 0 | 110.8 | I513 Y523 V525 V563 W588 | I513-L542 HydrophobicContact CG2-CB 4.24Å; I513-L542 HydrophobicContact CG2-CD1 3.46Å; I513-L542 VanDerWaalsContact CG2-CD1 3.46Å; I513-L542 HydrophobicContact CG2-CG 4.47Å; Y523-L542 WeakPolarHBondContact CD1-O 3.34Å; V525-L542 HydrophobicContact CG2-CD1 4.09Å; L542-V563 HydrophobicContact CD2-CG2 3.95Å; L542-W588 HydrophobicContact CD1-CH2 4.4Å; L542-W588 HydrophobicContact CD1-CZ2 3.64Å; L542-W588 HydrophobicContact CD2-CD2 3.84Å; L542-W588 HydrophobicContact CD2-CE3 4.32Å; L542-W588 HydrophobicContact CD2-CG 4.49Å; L542-W588 HydrophobicContact CD2-CH2 3.74Å; L542-W588 HydrophobicContact CD2-CZ2 3.22Å; L542-W588 HydrophobicContact CD2-CZ3 4.28Å; L542-W588 HydrophobicContact CG-CZ2 3.93Å | ||
| 543 | R | 38 | Very low | 48.5 | Very low | 184 Ų | 184 | 83.2 Ų | 83.2 | 69% | 0.694 | 39% | 0.385 | S | S | * | . | trans | -77 | 143.1 | 172.2 | -64.1 | -177.1 | -174.1 | -149.4 | 1.8 | 108.4 | A545 | R543-A545 PolarHBondContact O-N 3.45Š| ||
| 544 | I | 43.7 | Very low | 46.8 | Very low | 34 Ų | 34 | 84.9 Ų | 84.9 | 17% | 0.174 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -53.5 | 109.6 | -175.6 | -63.8 | 165.3 | 0 | 0 | 0 | 109.6 | K521 G566 | K521-I544 HydrophobicContact CD-CD1 3.76Å; K521-I544 HydrophobicContact CG-CD1 4.18Å; I544-G566 WeakPolarHBondContact O-CA 3.13Å |
| 545 | A | 46.5 | Very low | 45.8 | Very low | 17 Ų | 17 | 84.5 Ų | 84.5 | 14% | 0.14 | 40% | 0.398 | C | S | . | . | trans | -163.9 | 152.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | R543 V563 G565 | R543-A545 PolarHBondContact O-N 3.45Å; A545-V563 HydrophobicContact CB-CB 4.38Å; A545-V563 HydrophobicContact CB-CG1 3.08Å; A545-G565 VanDerWaalsContact CB-O 3.28Å; A545-G565 WeakPolarHBondContact CB-O 3.5Å | ||
| 546 | Q | 54 | Low | 45 | Very low | 51 Ų | 51 | 90.5 Ų | 90.5 | 24% | 0.238 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 149 | 179.5 | -101.3 | -160 | 14.8 | 0 | 0 | 110.9 | V563 V564 V601 R602 L603 | Q546-V563 WeakPolarHBondContact O-CA 3.31Å; Q546-V564 PolarHBondContact O-N 3.04Å; Q546-V601 HydrophobicContact CB-CG1 4.25Å; Q546-V601 PolarHBondContact NE2-O 2.98Å; Q546-V601 PolarHBondContact OE1-O 2.94Å; Q546-R602 VanDerWaalsContact OE1-CA 3.29Å; Q546-L603 HydrophobicContact CB-CD1 4.03Å; Q546-L603 HydrophobicContact CB-CG 4.18Å |
| 547 | L | 54.4 | Low | 44.6 | Very low | 11 Ų | 11 | 89.8 Ų | 89.8 | 6% | 0.058 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 142.1 | -170 | -157.5 | 102.3 | 0 | 0 | 0 | 112.2 | A502 V504 I513 L561 Y562 V563 W588 | A502-L547 HydrophobicContact CB-CB 3.61Å; V504-L547 HydrophobicContact CB-CD2 4Å; V504-L547 VanDerWaalsContact CG1-C 3.5Å; V504-L547 HydrophobicContact CG1-CB 3.9Å; V504-L547 HydrophobicContact CG1-CD2 3.43Å; V504-L547 VanDerWaalsContact CG1-CD2 3.43Å; V504-L547 HydrophobicContact CG1-CG 4.08Å; V504-L547 WeakPolarHBondContact CG1-O 3.48Å; V504-L547 HydrophobicContact CG2-CD2 3.35Å; I513-L547 HydrophobicContact CD1-CD1 4.39Å; I513-L547 HydrophobicContact CD1-CD2 3.22Å; I513-L547 HydrophobicContact CD1-CG 4.28Å; L547-L561 HydrophobicContact CD1-CD1 4.49Å; L547-L561 HydrophobicContact CD1-CD2 3.66Å; L547-L561 HydrophobicContact CD1-CG 3.67Å; L547-L561 HydrophobicContact CD2-CD1 3.12Å; L547-L561 HydrophobicContact CD2-CD2 3.62Å; L547-L561 HydrophobicContact CD2-CG 3.27Å; L547-L561 HydrophobicContact CG-CD1 4.02Å; L547-L561 HydrophobicContact CG-CD2 4.1Å; L547-L561 HydrophobicContact CG-CG 3.67Å; L547-Y562 WeakPolarHBondContact CA-O 3.49Å; L547-Y562 WeakPolarHBondContact CD1-O 3.32Å; L547-Y562 WeakPolarHBondContact CG-O 3.32Å; L547-V563 HydrophobicContact CD1-CB 4.34Å; L547-V563 HydrophobicContact CD1-CG2 3.28Å; L547-W588 HydrophobicContact CD1-CH2 4.1Å |
| 548 | I | 55.7 | Low | 45.1 | Very low | 30 Ų | 30 | 88 Ų | 88 | 15% | 0.154 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 150.3 | 171.4 | -161.2 | 162.1 | 0 | 0 | 0 | 111.2 | Y562 L603 V605 L610 | I548-Y562 PolarHBondContact N-O 3.32Å; I548-Y562 PolarHBondContact O-N 3.34Å; I548-Y562 VanDerWaalsContact O-N 3.17Å; I548-L603 HydrophobicContact CB-CB 4.13Å; I548-L603 HydrophobicContact CB-CD1 4.26Å; I548-L603 HydrophobicContact CD1-CB 4.12Å; I548-L603 HydrophobicContact CG2-CB 4.04Å; I548-L603 HydrophobicContact CG2-CD1 3.92Å; I548-V605 HydrophobicContact CD1-CB 4.4Å; I548-V605 HydrophobicContact CD1-CG2 3.69Å; I548-V605 HydrophobicContact CG1-CG2 3.91Å; I548-V605 HydrophobicContact CG2-CG2 4.11Å; I548-L610 HydrophobicContact CG2-CD1 3.28Å; I548-L610 HydrophobicContact CG2-CD2 4.14Å; I548-L610 HydrophobicContact CG2-CG 4.34Å |
| 549 | L | 53.8 | Low | 46.2 | Very low | 26 Ų | 26 | 85 Ų | 85 | 14% | 0.136 | 39% | 0.387 | C | S | . | . | trans | -105.3 | 121.2 | 169.6 | -72.1 | 156.2 | 0 | 0 | 0 | 106.9 | V504 T505 W506 Y551 K560 L561 L581 | V504-L549 HydrophobicContact CB-CD1 4.1Å; V504-L549 HydrophobicContact CG2-CD1 3.92Å; T505-L549 WeakPolarHBondContact O-CD1 3.49Å; W506-L549 HydrophobicContact CB-CD1 3.4Å; W506-L549 VanDerWaalsContact CB-CD1 3.4Å; W506-L549 HydrophobicContact CG-CD1 3.87Å; W506-L549 HydrophobicContact CG-CD2 4.48Å; L549-Y551 PolarHBondContact O-N 3.02Å; L549-K560 VanDerWaalsContact CD2-O 3.25Å; L549-K560 WeakPolarHBondContact CD2-O 3.42Å; L549-L561 HydrophobicContact CD1-CD1 4.04Å; L549-L561 HydrophobicContact CD2-CB 4.19Å; L549-L561 HydrophobicContact CD2-CD1 3.56Å; L549-L561 HydrophobicContact CD2-CG 4.49Å; L549-L561 HydrophobicContact CG-CD1 3.74Å; L549-L581 HydrophobicContact CD2-CD1 4.03Å | ||
| 550 | P | 43.2 | Very low | 48.5 | Very low | 13 Ų | 13 | 76.5 Ų | 76.5 | 8% | 0.084 | 36% | 0.357 | C | S | . | . | trans | -63.4 | 121.2 | 173.8 | -13.1 | 25.8 | 0 | 0 | 0 | 109.8 | S552 K560 Y562 V605 | P550-S552 PolarHBondContact O-N 3.16Å; P550-K560 WeakPolarHBondContact CD-O 3.24Å; P550-Y562 HydrophobicContact CG-CD2 3.98Å; P550-Y562 HydrophobicContact CG-CE2 3.58Å; P550-V605 HydrophobicContact CB-CG1 4.01Å; P550-V605 HydrophobicContact CB-CG2 4.08Å | ||
| 551 | Y | 45.5 | Very low | 50.3 | Low | 217 Ų | 217 | 71.6 Ų | 71.6 | 85% | 0.851 | 34% | 0.338 | S | S | * | . | trans | -80.6 | 92.5 | 163 | -153.9 | -89.5 | 0 | 0 | 0 | 106.9 | L549 | L549-Y551 PolarHBondContact O-N 3.02Š| ||
| 552 | S | 35.8 | Very low | 52.8 | Low | 17 Ų | 17 | 66.9 Ų | 66.9 | 12% | 0.119 | 31% | 0.308 | C | S | . | . | trans | -109.7 | 139.1 | 175.6 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | P550 E554 D608 | P550-S552 PolarHBondContact O-N 3.16Å; S552-E554 WeakPolarHBondContact OG-CB 3.37Å; S552-E554 PolarHBondContact OG-N 3.33Å; S552-E554 PolarHBondContact OG-O 3.4Å; S552-D608 WeakPolarHBondContact CA-OD1 3.14Å; S552-D608 WeakPolarHBondContact CB-OD1 3.49Å; S552-D608 PolarHBondContact OG-OD1 3.19Å | ||
| 553 | R | 41.3 | Very low | 54.8 | Low | 244 Ų | 244 | 66.9 Ų | 66.9 | 92% | 0.921 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -72.5 | -19.2 | 166.8 | -75.5 | -176.1 | 176.2 | 178.3 | 0.6 | 111.7 | ||
| 554 | E | 41.5 | Very low | 57.2 | Low | 113 Ų | 113 | 58.3 Ų | 58.3 | 53% | 0.528 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -82.2 | 125.3 | 175.2 | -75.6 | -93.9 | 153 | 0 | 0 | 109.8 | S552 K556 Y557 | S552-E554 WeakPolarHBondContact OG-CB 3.37Å; S552-E554 PolarHBondContact OG-N 3.33Å; S552-E554 PolarHBondContact OG-O 3.4Å; E554-K556 PolarHBondContact O-N 3.2Å; E554-Y557 PolarHBondContact O-N 3.45Å |
| 555 | P | 46.2 | Very low | 59.3 | Low | 118 Ų | 118 | 56.7 Ų | 56.7 | 77% | 0.766 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -6.5 | -177.6 | 21.5 | -31.2 | 0 | 0 | 0 | 114.4 | ||
| 556 | K | 49.4 | Very low | 60.9 | Low | 150 Ų | 150 | 56.3 Ų | 56.3 | 65% | 0.652 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -22.7 | -175.7 | -154.5 | 177.6 | 179.8 | -174.4 | 0 | 114.3 | E554 K560 | E554-K556 PolarHBondContact O-N 3.2Å; K556-K560 PolarHBondContact O-NZ 3.12Å |
| 557 | Y | 50.5 | Low | 61.9 | Low | 24 Ų | 24 | 56 Ų | 56 | 9% | 0.094 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -17.8 | 173 | -60 | -68.3 | 0 | 0 | 0 | 114 | E554 D559 K560 D608 N630 | E554-Y557 PolarHBondContact O-N 3.45Å; Y557-D559 PolarHBondContact O-N 2.88Å; Y557-K560 PolarHBondContact O-N 3Å; Y557-D608 HydrophobicContact CD2-CB 4.42Å; Y557-D608 HydrophobicContact CE2-CB 4.45Å; Y557-N630 WeakPolarHBondContact OH-CA 3.49Å; Y557-N630 WeakPolarHBondContact OH-CB 3.39Å; Y557-N630 PolarHBondContact OH-OD1 3.4Å |
| 558 | A | 54.9 | Low | 62.8 | Low | 35 Ų | 35 | 58.8 Ų | 58.8 | 29% | 0.289 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 134 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 559 | D | 73 | Confident | 63.5 | Low | 35 Ų | 35 | 59.8 Ų | 59.8 | 19% | 0.187 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 26.3 | 174 | -53.4 | -33.1 | 0 | 0 | 0 | 116.6 | W506 K507 Y557 L581 N582 | W506-D559 HydrophobicContact CZ2-CB 4.13Å; W506-D559 PolarHBondContact NE1-OD1 3.38Å; K507-D559 VanDerWaalsContact CE-OD1 3.32Å; K507-D559 WeakPolarHBondContact CE-OD1 3.43Å; K507-D559 VanDerWaalsContact CE-OD2 3.26Å; K507-D559 WeakPolarHBondContact CE-OD2 3.43Å; K507-D559 IonicContact NZ-OD1 3.78Å; K507-D559 IonicContact NZ-OD2 2.91Å; K507-D559 PolarHBondContact NZ-OD2 3.44Å; Y557-D559 PolarHBondContact O-N 2.88Å; D559-L581 VanDerWaalsContact O-CB 3.25Å; D559-L581 WeakPolarHBondContact O-CB 3.47Å; D559-L581 PolarHBondContact O-N 3.03Å; D559-N582 HydrophobicContact CB-CB 4.48Å; D559-N582 VanDerWaalsContact CB-ND2 3.27Å; D559-N582 WeakPolarHBondContact CB-ND2 3.37Å; D559-N582 PolarHBondContact OD2-ND2 2.75Å; D559-N582 PolarHBondContact OD2-OD1 2.66Å |
| 560 | K | 78 | Confident | 64.4 | Low | 52 Ų | 52 | 64.9 Ų | 64.9 | 23% | 0.226 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 132.1 | 168.9 | -69.7 | -178.8 | -177.3 | 164.6 | 0 | 113.3 | L549 P550 K556 Y557 Y562 I579 D580 | L549-K560 VanDerWaalsContact CD2-O 3.25Å; L549-K560 WeakPolarHBondContact CD2-O 3.42Å; P550-K560 WeakPolarHBondContact CD-O 3.24Å; K556-K560 PolarHBondContact O-NZ 3.12Å; Y557-K560 PolarHBondContact O-N 3Å; K560-Y562 HydrophobicContact CB-CD2 4.49Å; K560-Y562 HydrophobicContact CB-CE2 3.71Å; K560-I579 WeakPolarHBondContact CA-O 3.02Å; K560-D580 WeakPolarHBondContact CE-OD2 3.35Å; K560-D580 HydrophobicContact CG-CB 4.25Å |
| 561 | L | 80.3 | Confident | 66.2 | Low | 13 Ų | 13 | 68.2 Ų | 68.2 | 7% | 0.068 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 132.1 | 177.8 | -156.9 | 83.9 | 0 | 0 | 0 | 109.3 | V504 I513 L547 L549 C578 I579 L581 W588 | V504-L561 HydrophobicContact CG2-CD1 3.95Å; I513-L561 HydrophobicContact CD1-CD2 4.38Å; L547-L561 HydrophobicContact CD1-CD1 4.49Å; L547-L561 HydrophobicContact CD1-CD2 3.66Å; L547-L561 HydrophobicContact CD1-CG 3.67Å; L547-L561 HydrophobicContact CD2-CD1 3.12Å; L547-L561 HydrophobicContact CD2-CD2 3.62Å; L547-L561 HydrophobicContact CD2-CG 3.27Å; L547-L561 HydrophobicContact CG-CD1 4.02Å; L547-L561 HydrophobicContact CG-CD2 4.1Å; L547-L561 HydrophobicContact CG-CG 3.67Å; L549-L561 HydrophobicContact CD1-CD1 4.04Å; L549-L561 HydrophobicContact CD2-CB 4.19Å; L549-L561 HydrophobicContact CD2-CD1 3.56Å; L549-L561 HydrophobicContact CD2-CG 4.49Å; L549-L561 HydrophobicContact CG-CD1 3.74Å; L561-C578 CarbonylContact O-C 3.54Å; L561-C578 WeakPolarHBondContact O-CA 3.19Å; L561-C578 WeakPolarHBondContact O-CB 3.46Å; L561-I579 HydrophobicContact CB-CG2 3.52Å; L561-I579 HydrophobicContact CD2-CG2 3.94Å; L561-I579 HydrophobicContact CG-CG2 4.36Å; L561-I579 PolarHBondContact N-O 3.15Å; L561-I579 PolarHBondContact O-N 2.93Å; L561-L581 HydrophobicContact CB-CD1 4.35Å; L561-L581 HydrophobicContact CB-CG 4.46Å; L561-L581 HydrophobicContact CD1-CD1 4.31Å; L561-W588 HydrophobicContact CB-CH2 4.2Å; L561-W588 HydrophobicContact CD2-CH2 3.36Å; L561-W588 HydrophobicContact CD2-CZ2 3.57Å; L561-W588 HydrophobicContact CG-CH2 4.08Å |
| 562 | Y | 83.2 | Confident | 68.2 | Low | 14 Ų | 14 | 58.2 Ų | 58.2 | 6% | 0.055 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 140 | 178.6 | -68.3 | -100.1 | 0 | 0 | 0 | 110.7 | L547 I548 P550 K560 E577 C578 I591 L610 L628 | L547-Y562 WeakPolarHBondContact CA-O 3.49Å; L547-Y562 WeakPolarHBondContact CD1-O 3.32Å; L547-Y562 WeakPolarHBondContact CG-O 3.32Å; I548-Y562 PolarHBondContact N-O 3.32Å; I548-Y562 PolarHBondContact O-N 3.34Å; I548-Y562 VanDerWaalsContact O-N 3.17Å; P550-Y562 HydrophobicContact CG-CD2 3.98Å; P550-Y562 HydrophobicContact CG-CE2 3.58Å; K560-Y562 HydrophobicContact CB-CD2 4.49Å; K560-Y562 HydrophobicContact CB-CE2 3.71Å; Y562-E577 CarbonylContact C-O 3.55Å; Y562-E577 WeakPolarHBondContact CA-O 3.29Å; Y562-C578 HydrophobicContact CD1-CB 3.72Å; Y562-C578 HydrophobicContact CE1-CB 3.77Å; Y562-C578 HydrophobicContact CG-CB 4.24Å; Y562-I591 HydrophobicContact CD1-CD1 3.64Å; Y562-I591 HydrophobicContact CE1-CD1 3.61Å; Y562-L610 HydrophobicContact CD1-CD2 4.01Å; Y562-L610 HydrophobicContact CD2-CD2 4.46Å; Y562-L610 HydrophobicContact CG-CD2 3.84Å; Y562-L628 HydrophobicContact CD1-CD2 4.28Å; Y562-L628 HydrophobicContact CE1-CD2 3.89Å |
| 563 | V | 82.1 | Confident | 70.5 | Confident | 7 Ų | 7 | 58.5 Ų | 58.5 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 114.2 | 176.2 | 174.9 | 0 | 0 | 0 | 0 | 106.6 | L542 A545 Q546 L547 V576 E577 W588 | L542-V563 HydrophobicContact CD2-CG2 3.95Å; A545-V563 HydrophobicContact CB-CB 4.38Å; A545-V563 HydrophobicContact CB-CG1 3.08Å; Q546-V563 WeakPolarHBondContact O-CA 3.31Å; L547-V563 HydrophobicContact CD1-CB 4.34Å; L547-V563 HydrophobicContact CD1-CG2 3.28Å; V563-V576 CarbonylContact O-C 3.54Å; V563-V576 VanDerWaalsContact O-CA 3.27Å; V563-V576 WeakPolarHBondContact O-CA 3.21Å; V563-V576 WeakPolarHBondContact O-CG1 3.37Å; V563-E577 HydrophobicContact CB-CB 4.28Å; V563-E577 PolarHBondContact N-O 2.78Å; V563-E577 PolarHBondContact O-N 3.07Å; V563-W588 HydrophobicContact CB-CH2 4.48Å; V563-W588 HydrophobicContact CB-CZ3 4.05Å; V563-W588 HydrophobicContact CG2-CE3 4.13Å; V563-W588 HydrophobicContact CG2-CH2 3.24Å; V563-W588 HydrophobicContact CG2-CZ2 4.21Å; V563-W588 HydrophobicContact CG2-CZ3 3.21Å |
| 564 | V | 88 | Confident | 72.9 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.024 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 124.5 | -170.7 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | Q546 V576 M594 L603 L610 A612 | Q546-V564 PolarHBondContact O-N 3.04Å; V564-V576 HydrophobicContact CB-CG1 4.49Å; V564-V576 HydrophobicContact CG1-CG2 4.06Å; V564-V576 HydrophobicContact CG2-CG1 3.84Å; V564-M594 HydrophobicContact CG1-CE 3.7Å; V564-M594 HydrophobicContact CG1-CG 4.21Å; V564-M594 HydrophobicContact CG1-SD 3.37Å; V564-M594 WeakPolarHBondContact CG1-SD 3.43Å; V564-L603 HydrophobicContact CB-CD1 3.8Å; V564-L603 HydrophobicContact CB-CD2 3.81Å; V564-L603 HydrophobicContact CB-CG 4.37Å; V564-L603 HydrophobicContact CG1-CD2 3.9Å; V564-L603 HydrophobicContact CG2-CD1 3.6Å; V564-L603 HydrophobicContact CG2-CD2 3.94Å; V564-L603 HydrophobicContact CG2-CG 4.42Å; V564-L610 HydrophobicContact CG2-CD2 3.96Å; V564-A612 HydrophobicContact CG1-CB 4.49Å |
| 565 | G | 87.6 | Confident | 75 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | 67.1 | -133 | 173 | 0 | 0 | 0 | 0 | 0 | 113.5 | A545 L573 S575 | A545-G565 VanDerWaalsContact CB-O 3.28Å; A545-G565 WeakPolarHBondContact CB-O 3.5Å; G565-L573 VanDerWaalsContact CA-O 3.3Å; G565-L573 WeakPolarHBondContact CA-O 3.43Å; G565-S575 PolarHBondContact N-O 2.93Å | ||
| 566 | G | 80.9 | Confident | 77 | Confident | 8 Ų | 8 | 41.1 Ų | 41.1 | 8% | 0.082 | 24% | 0.235 | C | C | . | . | trans | 91 | -159.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I544 S572 L573 R598 | I544-G566 WeakPolarHBondContact O-CA 3.13Å; G566-S572 WeakPolarHBondContact O-CA 3.48Å; G566-L573 PolarHBondContact O-N 3.02Å; G566-R598 PolarHBondContact N-O 3.31Å | ||
| 567 | T | 75.1 | Confident | 78.6 | Confident | 46 Ų | 46 | 36.7 Ų | 36.7 | 28% | 0.282 | 22% | 0.216 | S | C | . | . | B | Isolated β-bridge | trans | -139.6 | 140.2 | 176.7 | -179.7 | 0 | 0 | 0 | 0 | 110.7 | G569 Q571 | T567-G569 VanDerWaalsContact C-N 3.26Å; T567-G569 PolarHBondContact OG1-N 3.19Å; T567-Q571 VanDerWaalsContact CA-O 3.29Å; T567-Q571 WeakPolarHBondContact CA-O 3.29Å; T567-Q571 WeakPolarHBondContact CB-O 3Å; T567-Q571 PolarHBondContact OG1-O 3.32Å |
| 568 | D | 72.6 | Confident | 80.2 | Confident | 69 Ų | 69 | 36.4 Ų | 36.4 | 37% | 0.369 | 22% | 0.218 | S | C | . | . | trans | -85.1 | -0.1 | 171 | 58.8 | 14.1 | 0 | 0 | 0 | 112.8 | V570 Q571 L573 | D568-V570 WeakPolarHBondContact OD1-CA 3.34Å; D568-V570 WeakPolarHBondContact OD1-CB 3.45Å; D568-V570 PolarHBondContact OD1-N 3.3Å; D568-Q571 PolarHBondContact N-O 3.15Å; D568-Q571 PolarHBondContact OD1-N 3.02Å; D568-L573 HydrophobicContact CB-CD1 4.37Å; D568-L573 HydrophobicContact CB-CD2 4.26Å | ||
| 569 | G | 70 | Confident | 81.3 | Confident | 51 Ų | 51 | 35 Ų | 35 | 53% | 0.526 | 21% | 0.206 | S | C | . | . | S | Bend | trans | 90 | -4.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T567 | T567-G569 VanDerWaalsContact C-N 3.26Å; T567-G569 PolarHBondContact OG1-N 3.19Å |
| 570 | V | 72.2 | Confident | 81.6 | Confident | 133 Ų | 133 | 36.1 Ų | 36.1 | 81% | 0.806 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -114.3 | -39.6 | 173.9 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | D568 | D568-V570 WeakPolarHBondContact OD1-CA 3.34Å; D568-V570 WeakPolarHBondContact OD1-CB 3.45Å; D568-V570 PolarHBondContact OD1-N 3.3Å |
| 571 | Q | 81.8 | Confident | 81.6 | Confident | 82 Ų | 82 | 35.8 Ų | 35.8 | 38% | 0.383 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -146.9 | 162 | -178 | 60.8 | -176.3 | -5.5 | 0 | 0 | 111.9 | T567 D568 L573 | T567-Q571 VanDerWaalsContact CA-O 3.29Å; T567-Q571 WeakPolarHBondContact CA-O 3.29Å; T567-Q571 WeakPolarHBondContact CB-O 3Å; T567-Q571 PolarHBondContact OG1-O 3.32Å; D568-Q571 PolarHBondContact N-O 3.15Å; D568-Q571 PolarHBondContact OD1-N 3.02Å; Q571-L573 HydrophobicContact CG-CD2 4.36Å |
| 572 | S | 86.9 | Confident | 81.4 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 6% | 0.056 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -69.7 | 144.8 | 163.2 | -62.3 | 0 | 0 | 0 | 0 | 110.2 | G566 R597 A599 F616 | G566-S572 WeakPolarHBondContact O-CA 3.48Å; S572-R597 WeakPolarHBondContact O-CD 3.48Å; S572-A599 WeakPolarHBondContact OG-CB 3.28Å; S572-F616 WeakPolarHBondContact CB-O 3.45Å; S572-F616 PolarHBondContact OG-O 3.23Å |
| 573 | L | 84.9 | Confident | 81 | Confident | 22 Ų | 22 | 41 Ų | 41 | 12% | 0.115 | 24% | 0.244 | C | C | . | . | trans | -105.5 | 146.5 | -176.4 | -57.8 | 174.9 | 0 | 0 | 0 | 111.1 | G565 G566 D568 Q571 R597 R598 | G565-L573 VanDerWaalsContact CA-O 3.3Å; G565-L573 WeakPolarHBondContact CA-O 3.43Å; G566-L573 PolarHBondContact O-N 3.02Å; D568-L573 HydrophobicContact CB-CD1 4.37Å; D568-L573 HydrophobicContact CB-CD2 4.26Å; Q571-L573 HydrophobicContact CG-CD2 4.36Å; L573-R597 WeakPolarHBondContact O-CA 3.44Å; L573-R598 PolarHBondContact O-N 3.35Å | ||
| 574 | D | 90.7 | Very high | 80.7 | Confident | 56 Ų | 56 | 51 Ų | 51 | 30% | 0.299 | 29% | 0.287 | S | S | . | . | trans | -104.9 | -9.6 | 168.9 | 49.5 | 19.1 | 0 | 0 | 0 | 112 | A593 M594 R597 | D574-A593 HydrophobicContact CB-CB 4.49Å; D574-A593 CarbonylContact O-C 3.59Å; D574-A593 WeakPolarHBondContact O-CA 3.3Å; D574-A593 WeakPolarHBondContact O-CB 3.34Å; D574-M594 HydrophobicContact CB-CB 4.42Å; D574-M594 PolarHBondContact O-N 3.13Å; D574-R597 HydrophobicContact CB-CG 3.97Å | ||
| 575 | S | 86 | Confident | 80.2 | Confident | 45 Ų | 45 | 57.9 Ų | 57.9 | 32% | 0.315 | 32% | 0.319 | S | S | . | . | trans | -60.2 | 142.9 | -176.4 | 57.2 | 0 | 0 | 0 | 0 | 112.1 | G565 | G565-S575 PolarHBondContact N-O 2.93Š| ||
| 576 | V | 88.1 | Confident | 79.5 | Confident | 10 Ų | 10 | 60.3 Ų | 60.3 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 132 | 171.6 | -168 | 0 | 0 | 0 | 0 | 109.4 | V563 V564 I591 M594 | V563-V576 CarbonylContact O-C 3.54Å; V563-V576 VanDerWaalsContact O-CA 3.27Å; V563-V576 WeakPolarHBondContact O-CA 3.21Å; V563-V576 WeakPolarHBondContact O-CG1 3.37Å; V564-V576 HydrophobicContact CB-CG1 4.49Å; V564-V576 HydrophobicContact CG1-CG2 4.06Å; V564-V576 HydrophobicContact CG2-CG1 3.84Å; V576-I591 HydrophobicContact CB-CD1 4.18Å; V576-I591 HydrophobicContact CB-CG1 3.6Å; V576-I591 HydrophobicContact CG1-CD1 3.46Å; V576-I591 VanDerWaalsContact CG1-CD1 3.46Å; V576-I591 HydrophobicContact CG1-CG1 3.45Å; V576-I591 VanDerWaalsContact CG1-CG1 3.45Å; V576-I591 PolarHBondContact O-N 3.29Å; V576-M594 HydrophobicContact CG2-CG 3.98Å |
| 577 | E | 83.7 | Confident | 79.3 | Confident | 56 Ų | 56 | 63.9 Ų | 63.9 | 26% | 0.262 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 147.7 | 177 | -54.5 | -179.3 | 124.8 | 0 | 0 | 109.6 | Y562 V563 W588 R589 | Y562-E577 CarbonylContact C-O 3.55Å; Y562-E577 WeakPolarHBondContact CA-O 3.29Å; V563-E577 HydrophobicContact CB-CB 4.28Å; V563-E577 PolarHBondContact N-O 2.78Å; V563-E577 PolarHBondContact O-N 3.07Å; E577-W588 HydrophobicContact CB-CE3 3.95Å; E577-W588 HydrophobicContact CB-CZ3 4.45Å; E577-R589 CarbonylContact C-O 3.54Å; E577-R589 VanDerWaalsContact CA-O 3.31Å; E577-R589 WeakPolarHBondContact CA-O 3.45Å |
| 578 | C | 83.9 | Confident | 79.5 | Confident | 19 Ų | 19 | 64.2 Ų | 64.2 | 13% | 0.128 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 152.4 | 173.3 | 78.4 | 0 | 0 | 0 | 0 | 112.6 | L561 Y562 W588 R589 I591 | L561-C578 CarbonylContact O-C 3.54Å; L561-C578 WeakPolarHBondContact O-CA 3.19Å; L561-C578 WeakPolarHBondContact O-CB 3.46Å; Y562-C578 HydrophobicContact CD1-CB 3.72Å; Y562-C578 HydrophobicContact CE1-CB 3.77Å; Y562-C578 HydrophobicContact CG-CB 4.24Å; C578-W588 CarbonylContact O-C 3.55Å; C578-W588 WeakPolarHBondContact O-CA 3.5Å; C578-R589 PolarHBondContact N-O 3.27Å; C578-R589 PolarHBondContact O-N 3.39Å; C578-I591 HydrophobicContact CB-CD1 4.36Å; C578-I591 HydrophobicContact CB-CG2 4.26Å; C578-I591 WeakPolarHBondContact SG-CG2 3.17Å |
| 579 | I | 78.8 | Confident | 79.9 | Confident | 6 Ų | 6 | 68.4 Ų | 68.4 | 3% | 0.031 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 134.5 | 171.8 | -174.4 | 168.6 | 0 | 0 | 0 | 109.2 | K560 L561 L581 A586 W588 | K560-I579 WeakPolarHBondContact CA-O 3.02Å; L561-I579 HydrophobicContact CB-CG2 3.52Å; L561-I579 HydrophobicContact CD2-CG2 3.94Å; L561-I579 HydrophobicContact CG-CG2 4.36Å; L561-I579 PolarHBondContact N-O 3.15Å; L561-I579 PolarHBondContact O-N 2.93Å; I579-L581 HydrophobicContact CG2-CD2 4.03Å; I579-A586 HydrophobicContact CD1-CB 3.84Å; I579-A586 HydrophobicContact CG1-CB 4.02Å; I579-W588 HydrophobicContact CB-CD2 3.78Å; I579-W588 HydrophobicContact CB-CE3 3.86Å; I579-W588 HydrophobicContact CB-CG 4.31Å; I579-W588 HydrophobicContact CB-CH2 4.23Å; I579-W588 HydrophobicContact CB-CZ2 4.12Å; I579-W588 HydrophobicContact CB-CZ3 4.09Å; I579-W588 HydrophobicContact CD1-CD2 4.42Å; I579-W588 HydrophobicContact CD1-CG 4.39Å; I579-W588 HydrophobicContact CG2-CD2 3.95Å; I579-W588 HydrophobicContact CG2-CE3 3.95Å; I579-W588 HydrophobicContact CG2-CH2 3.39Å; I579-W588 HydrophobicContact CG2-CZ2 3.34Å; I579-W588 HydrophobicContact CG2-CZ3 3.68Å |
| 580 | D | 78.8 | Confident | 80.6 | Confident | 58 Ų | 58 | 71.1 Ų | 71.1 | 31% | 0.31 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 113 | 172.1 | -171.3 | -34.3 | 0 | 0 | 0 | 108.9 | K560 N582 S583 | K560-D580 WeakPolarHBondContact CE-OD2 3.35Å; K560-D580 HydrophobicContact CG-CB 4.25Å; D580-N582 VanDerWaalsContact C-N 3.29Å; D580-N582 WeakPolarHBondContact OD1-CB 3.39Å; D580-N582 PolarHBondContact OD1-N 3.23Å; D580-S583 WeakPolarHBondContact O-CB 3.26Å; D580-S583 PolarHBondContact O-N 3.11Å; D580-S583 PolarHBondContact OD1-N 3.19Å; D580-S583 VanDerWaalsContact OD1-N 3.17Å |
| 581 | L | 77.5 | Confident | 81.2 | Confident | 45 Ų | 45 | 66.6 Ų | 66.6 | 24% | 0.236 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -80.3 | -11 | -176 | -57.4 | 175.2 | 0 | 0 | 0 | 112.9 | W506 L549 D559 L561 I579 | W506-L581 HydrophobicContact CD2-CD1 3.54Å; W506-L581 HydrophobicContact CE3-CD1 3.73Å; W506-L581 HydrophobicContact CG-CD1 4.06Å; W506-L581 HydrophobicContact CH2-CB 3.54Å; W506-L581 HydrophobicContact CH2-CD1 4.09Å; W506-L581 HydrophobicContact CH2-CG 4.4Å; W506-L581 HydrophobicContact CZ2-CB 3.43Å; W506-L581 VanDerWaalsContact CZ2-CB 3.43Å; W506-L581 HydrophobicContact CZ2-CD1 3.88Å; W506-L581 HydrophobicContact CZ2-CG 4.32Å; W506-L581 HydrophobicContact CZ3-CB 4.18Å; W506-L581 HydrophobicContact CZ3-CD1 4.02Å; L549-L581 HydrophobicContact CD2-CD1 4.03Å; D559-L581 VanDerWaalsContact O-CB 3.25Å; D559-L581 WeakPolarHBondContact O-CB 3.47Å; D559-L581 PolarHBondContact O-N 3.03Å; L561-L581 HydrophobicContact CB-CD1 4.35Å; L561-L581 HydrophobicContact CB-CG 4.46Å; L561-L581 HydrophobicContact CD1-CD1 4.31Å; I579-L581 HydrophobicContact CG2-CD2 4.03Å |
| 582 | N | 75.8 | Confident | 81.4 | Confident | 91 Ų | 91 | 65.2 Ų | 65.2 | 49% | 0.487 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -92.3 | -15 | 172.3 | -75.9 | -20.3 | 0 | 0 | 0 | 112.7 | K507 D559 D580 K584 | K507-N582 PolarHBondContact NZ-OD1 3.26Å; D559-N582 HydrophobicContact CB-CB 4.48Å; D559-N582 VanDerWaalsContact CB-ND2 3.27Å; D559-N582 WeakPolarHBondContact CB-ND2 3.37Å; D559-N582 PolarHBondContact OD2-ND2 2.75Å; D559-N582 PolarHBondContact OD2-OD1 2.66Å; D580-N582 VanDerWaalsContact C-N 3.29Å; D580-N582 WeakPolarHBondContact OD1-CB 3.39Å; D580-N582 PolarHBondContact OD1-N 3.23Å; N582-K584 PolarHBondContact O-N 2.99Å |
| 583 | S | 76.2 | Confident | 81.4 | Confident | 45 Ų | 45 | 67.1 Ų | 67.1 | 32% | 0.315 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -62.3 | 133.4 | 175.2 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | D580 E585 A586 | D580-S583 WeakPolarHBondContact O-CB 3.26Å; D580-S583 PolarHBondContact O-N 3.11Å; D580-S583 PolarHBondContact OD1-N 3.19Å; D580-S583 VanDerWaalsContact OD1-N 3.17Å; S583-E585 PolarHBondContact O-N 3.23Å; S583-E585 VanDerWaalsContact OG-C 3.24Å; S583-E585 PolarHBondContact OG-N 3.29Å; S583-E585 VanDerWaalsContact OG-N 3.15Å; S583-E585 PolarHBondContact OG-O 3.49Å; S583-A586 PolarHBondContact O-N 3.47Å |
| 584 | K | 74.6 | Confident | 81.6 | Confident | 217 Ų | 217 | 66.6 Ų | 66.6 | 94% | 0.943 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -60 | -25.3 | 170 | -68.2 | -174.1 | 179 | -178.8 | 0 | 112.2 | N582 | N582-K584 PolarHBondContact O-N 2.99Š|
| 585 | E | 77.9 | Confident | 81.5 | Confident | 149 Ų | 149 | 68.5 Ų | 68.5 | 70% | 0.696 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -117.5 | 75.7 | 173.7 | -65.1 | -178.4 | 179.3 | 0 | 0 | 108.2 | S583 V587 | S583-E585 PolarHBondContact O-N 3.23Å; S583-E585 VanDerWaalsContact OG-C 3.24Å; S583-E585 PolarHBondContact OG-N 3.29Å; S583-E585 VanDerWaalsContact OG-N 3.15Å; S583-E585 PolarHBondContact OG-O 3.49Å; E585-V587 PolarHBondContact O-N 2.89Å; E585-V587 VanDerWaalsContact O-N 3.08Å |
| 586 | A | 74 | Confident | 81.6 | Confident | 50 Ų | 50 | 67.9 Ų | 67.9 | 41% | 0.413 | 36% | 0.363 | S | S | . | . | trans | -69.7 | 102.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | I579 S583 | I579-A586 HydrophobicContact CD1-CB 3.84Å; I579-A586 HydrophobicContact CG1-CB 4.02Å; S583-A586 PolarHBondContact O-N 3.47Å | ||
| 587 | V | 76.6 | Confident | 81.6 | Confident | 84 Ų | 84 | 72.4 Ų | 72.4 | 51% | 0.509 | 38% | 0.379 | S | S | . | . | trans | -127.6 | 135.2 | -179.3 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | E585 R589 | E585-V587 PolarHBondContact O-N 2.89Å; E585-V587 VanDerWaalsContact O-N 3.08Å; V587-R589 PolarHBondContact O-N 3.34Å | ||
| 588 | W | 78.7 | Confident | 82 | Confident | 53 Ų | 53 | 69.8 Ų | 69.8 | 20% | 0.201 | 37% | 0.366 | C | S | . | . | trans | -63.8 | 129 | 171.5 | -72.9 | 100.4 | 0 | 0 | 0 | 110.7 | L542 L547 L561 V563 E577 C578 I579 | L542-W588 HydrophobicContact CD1-CH2 4.4Å; L542-W588 HydrophobicContact CD1-CZ2 3.64Å; L542-W588 HydrophobicContact CD2-CD2 3.84Å; L542-W588 HydrophobicContact CD2-CE3 4.32Å; L542-W588 HydrophobicContact CD2-CG 4.49Å; L542-W588 HydrophobicContact CD2-CH2 3.74Å; L542-W588 HydrophobicContact CD2-CZ2 3.22Å; L542-W588 HydrophobicContact CD2-CZ3 4.28Å; L542-W588 HydrophobicContact CG-CZ2 3.93Å; L547-W588 HydrophobicContact CD1-CH2 4.1Å; L561-W588 HydrophobicContact CB-CH2 4.2Å; L561-W588 HydrophobicContact CD2-CH2 3.36Å; L561-W588 HydrophobicContact CD2-CZ2 3.57Å; L561-W588 HydrophobicContact CG-CH2 4.08Å; V563-W588 HydrophobicContact CB-CH2 4.48Å; V563-W588 HydrophobicContact CB-CZ3 4.05Å; V563-W588 HydrophobicContact CG2-CE3 4.13Å; V563-W588 HydrophobicContact CG2-CH2 3.24Å; V563-W588 HydrophobicContact CG2-CZ2 4.21Å; V563-W588 HydrophobicContact CG2-CZ3 3.21Å; E577-W588 HydrophobicContact CB-CE3 3.95Å; E577-W588 HydrophobicContact CB-CZ3 4.45Å; C578-W588 CarbonylContact O-C 3.55Å; C578-W588 WeakPolarHBondContact O-CA 3.5Å; I579-W588 HydrophobicContact CB-CD2 3.78Å; I579-W588 HydrophobicContact CB-CE3 3.86Å; I579-W588 HydrophobicContact CB-CG 4.31Å; I579-W588 HydrophobicContact CB-CH2 4.23Å; I579-W588 HydrophobicContact CB-CZ2 4.12Å; I579-W588 HydrophobicContact CB-CZ3 4.09Å; I579-W588 HydrophobicContact CD1-CD2 4.42Å; I579-W588 HydrophobicContact CD1-CG 4.39Å; I579-W588 HydrophobicContact CG2-CD2 3.95Å; I579-W588 HydrophobicContact CG2-CE3 3.95Å; I579-W588 HydrophobicContact CG2-CH2 3.39Å; I579-W588 HydrophobicContact CG2-CZ2 3.34Å; I579-W588 HydrophobicContact CG2-CZ3 3.68Å | ||
| 589 | R | 81.3 | Confident | 82.1 | Confident | 156 Ų | 156 | 69.2 Ų | 69.2 | 59% | 0.589 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 130.5 | 179.1 | -63.2 | 178.6 | -174 | -122.2 | -0.5 | 108.9 | E577 C578 V587 I591 | E577-R589 CarbonylContact C-O 3.54Å; E577-R589 VanDerWaalsContact CA-O 3.31Å; E577-R589 WeakPolarHBondContact CA-O 3.45Å; C578-R589 PolarHBondContact N-O 3.27Å; C578-R589 PolarHBondContact O-N 3.39Å; V587-R589 PolarHBondContact O-N 3.34Å; R589-I591 PolarHBondContact O-N 2.62Å |
| 590 | P | 84.4 | Confident | 82.3 | Confident | 108 Ų | 108 | 75.8 Ų | 75.8 | 70% | 0.701 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 138.1 | 168.7 | 28.9 | -33.2 | 0 | 0 | 0 | 108.7 | ||
| 591 | I | 85.2 | Confident | 82.7 | Confident | 38 Ų | 38 | 73 Ų | 73 | 20% | 0.195 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 171.6 | 170 | 70 | 178.8 | 0 | 0 | 0 | 108.2 | Y562 V576 C578 R589 A593 L628 | Y562-I591 HydrophobicContact CD1-CD1 3.64Å; Y562-I591 HydrophobicContact CE1-CD1 3.61Å; V576-I591 HydrophobicContact CB-CD1 4.18Å; V576-I591 HydrophobicContact CB-CG1 3.6Å; V576-I591 HydrophobicContact CG1-CD1 3.46Å; V576-I591 VanDerWaalsContact CG1-CD1 3.46Å; V576-I591 HydrophobicContact CG1-CG1 3.45Å; V576-I591 VanDerWaalsContact CG1-CG1 3.45Å; V576-I591 PolarHBondContact O-N 3.29Å; C578-I591 HydrophobicContact CB-CD1 4.36Å; C578-I591 HydrophobicContact CB-CG2 4.26Å; C578-I591 WeakPolarHBondContact SG-CG2 3.17Å; R589-I591 PolarHBondContact O-N 2.62Å; I591-A593 PolarHBondContact O-N 3.04Å; I591-L628 HydrophobicContact CD1-CD2 3.56Å |
| 592 | P | 84.9 | Confident | 83.2 | Confident | 54 Ų | 54 | 75.6 Ų | 75.6 | 35% | 0.351 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -52.4 | 129.4 | -178.4 | -31.3 | 39.9 | 0 | 0 | 0 | 112.6 | A633 | P592-A633 HydrophobicContact CB-CB 3.97Å; P592-A633 HydrophobicContact CG-CB 4.3Å |
| 593 | A | 87.3 | Confident | 83.7 | Confident | 47 Ų | 47 | 71.7 Ų | 71.7 | 39% | 0.388 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 155 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | D574 I591 P634 | D574-A593 HydrophobicContact CB-CB 4.49Å; D574-A593 CarbonylContact O-C 3.59Å; D574-A593 WeakPolarHBondContact O-CA 3.3Å; D574-A593 WeakPolarHBondContact O-CB 3.34Å; I591-A593 PolarHBondContact O-N 3.04Å; A593-P634 WeakPolarHBondContact O-CG 3.27Å |
| 594 | M | 90 | Very high | 84.1 | Confident | 12 Ų | 12 | 72.8 Ų | 72.8 | 6% | 0.059 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 157.7 | 170.4 | -64.4 | -178.2 | -66.2 | 0 | 0 | 111.2 | V564 D574 V576 S596 R598 A612 | V564-M594 HydrophobicContact CG1-CE 3.7Å; V564-M594 HydrophobicContact CG1-CG 4.21Å; V564-M594 HydrophobicContact CG1-SD 3.37Å; V564-M594 WeakPolarHBondContact CG1-SD 3.43Å; D574-M594 HydrophobicContact CB-CB 4.42Å; D574-M594 PolarHBondContact O-N 3.13Å; V576-M594 HydrophobicContact CG2-CG 3.98Å; M594-S596 VanDerWaalsContact C-N 3.31Å; M594-S596 WeakPolarHBondContact CB-O 3.15Å; M594-R598 HydrophobicContact CE-CB 4.01Å; M594-R598 HydrophobicContact CE-CG 3.83Å; M594-R598 HydrophobicContact SD-CG 4.07Å; M594-A612 HydrophobicContact SD-CB 3.87Å |
| 595 | N | 88.2 | Confident | 84.4 | Confident | 95 Ų | 95 | 64.1 Ų | 64.1 | 51% | 0.508 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -71.5 | -29 | 173.4 | -60 | -77.6 | 0 | 0 | 0 | 112 | E626 P634 | N595-E626 VanDerWaalsContact CB-OE2 3.27Å; N595-E626 WeakPolarHBondContact CB-OE2 3.39Å; N595-E626 PolarHBondContact N-OE2 3.31Å; N595-E626 PolarHBondContact ND2-OE2 3.02Å; N595-P634 PolarHBondContact ND2-O 3.11Å |
| 596 | S | 86.9 | Confident | 84.4 | Confident | 33 Ų | 33 | 62.4 Ų | 62.4 | 23% | 0.231 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -118.3 | 143.2 | 179.7 | -35.6 | 0 | 0 | 0 | 0 | 110.2 | M594 R598 E626 | M594-S596 VanDerWaalsContact C-N 3.31Å; M594-S596 WeakPolarHBondContact CB-O 3.15Å; S596-R598 WeakPolarHBondContact O-CG 3.28Å; S596-E626 WeakPolarHBondContact CB-OE1 3.49Å; S596-E626 PolarHBondContact N-OE1 3.04Å; S596-E626 VanDerWaalsContact N-OE1 3.14Å; S596-E626 PolarHBondContact OG-OE1 3.2Å |
| 597 | R | 89.4 | Confident | 84.4 | Confident | 105 Ų | 105 | 66.4 Ų | 66.4 | 40% | 0.396 | 34% | 0.339 | S | S | . | . | trans | -71.4 | 135.5 | 169.4 | -64.9 | 170.3 | -179.8 | -152.1 | -2.3 | 109.2 | S572 L573 D574 D617 L622 | S572-R597 WeakPolarHBondContact O-CD 3.48Å; L573-R597 WeakPolarHBondContact O-CA 3.44Å; D574-R597 HydrophobicContact CB-CG 3.97Å; R597-D617 HydrophobicContact CB-CB 4.38Å; R597-D617 VanDerWaalsContact O-CA 3.22Å; R597-D617 WeakPolarHBondContact O-CA 3.29Å; R597-D617 WeakPolarHBondContact O-CB 3.42Å; R597-L622 WeakPolarHBondContact O-CD1 3.47Å | ||
| 598 | R | 91.8 | Very high | 84.2 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | trans | -140.2 | 103.7 | -176.8 | -43.6 | -174.9 | 171.3 | -106.1 | -3 | 111.9 | G566 L573 M594 S596 V601 G614 L622 S624 E626 | G566-R598 PolarHBondContact N-O 3.31Å; L573-R598 PolarHBondContact O-N 3.35Å; M594-R598 HydrophobicContact CE-CB 4.01Å; M594-R598 HydrophobicContact CE-CG 3.83Å; M594-R598 HydrophobicContact SD-CG 4.07Å; S596-R598 WeakPolarHBondContact O-CG 3.28Å; R598-V601 HydrophobicContact CB-CB 3.74Å; R598-V601 HydrophobicContact CB-CG1 4.43Å; R598-V601 HydrophobicContact CB-CG2 4.09Å; R598-G614 WeakPolarHBondContact CD-O 3.32Å; R598-G614 PolarHBondContact NH1-O 2.96Å; R598-L622 HydrophobicContact CB-CD1 4.47Å; R598-L622 HydrophobicContact CG-CD1 3.73Å; R598-S624 PolarHBondContact NH1-O 2.75Å; R598-S624 PolarHBondContact NH1-OG 2.97Å; R598-S624 PolarHBondContact NH2-OG 3.29Å; R598-E626 IonicContact CZ-OE1 3.74Å; R598-E626 IonicContact NE-OE1 2.92Å; R598-E626 PolarHBondContact NE-OE1 3.11Å; R598-E626 IonicContact NH2-OE1 3.27Å; R598-E626 PolarHBondContact NH2-OE1 3.47Å | ||
| 599 | A | 85.4 | Confident | 84.3 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | B | Isolated β-bridge | trans | -83.3 | 153.5 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | S572 V601 G615 F616 | S572-A599 WeakPolarHBondContact OG-CB 3.28Å; A599-V601 PolarHBondContact O-N 3.42Å; A599-G615 CarbonylContact O-C 3.53Å; A599-G615 WeakPolarHBondContact O-CA 3.33Å; A599-F616 PolarHBondContact N-O 2.9Å; A599-F616 PolarHBondContact O-N 3.26Å |
| 600 | N | 83.4 | Confident | 84.3 | Confident | 144 Ų | 144 | 56.6 Ų | 56.6 | 77% | 0.77 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 52 | 25.5 | 179.7 | -58 | -21.8 | 0 | 0 | 0 | 114.6 | ||
| 601 | V | 86.7 | Confident | 84.4 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | trans | -60 | 151.8 | 173.8 | 63.8 | 0 | 0 | 0 | 0 | 110.1 | Q546 R598 A599 L603 A612 | Q546-V601 HydrophobicContact CB-CG1 4.25Å; Q546-V601 PolarHBondContact NE2-O 2.98Å; Q546-V601 PolarHBondContact OE1-O 2.94Å; R598-V601 HydrophobicContact CB-CB 3.74Å; R598-V601 HydrophobicContact CB-CG1 4.43Å; R598-V601 HydrophobicContact CB-CG2 4.09Å; A599-V601 PolarHBondContact O-N 3.42Å; V601-L603 HydrophobicContact CG2-CD2 4.39Å; V601-A612 HydrophobicContact CG2-CB 3.81Å | ||
| 602 | R | 88.2 | Confident | 84.6 | Confident | 99 Ų | 99 | 52.4 Ų | 52.4 | 37% | 0.374 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 131.4 | 166.7 | -171.7 | 62 | 172.1 | 178.1 | -0.1 | 110.5 | V399 Q546 V613 | V399-R602 PolarHBondContact O-NH2 3.39Å; Q546-R602 VanDerWaalsContact OE1-CA 3.29Å; R602-V613 PolarHBondContact N-O 3.25Å; R602-V613 PolarHBondContact O-N 2.92Å |
| 603 | L | 87.1 | Confident | 84.9 | Confident | 9 Ų | 9 | 52.9 Ų | 52.9 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 138.1 | 174.5 | -57.2 | -179.3 | 0 | 0 | 0 | 112.1 | Q546 I548 V564 V601 L610 Y611 A612 | Q546-L603 HydrophobicContact CB-CD1 4.03Å; Q546-L603 HydrophobicContact CB-CG 4.18Å; I548-L603 HydrophobicContact CB-CB 4.13Å; I548-L603 HydrophobicContact CB-CD1 4.26Å; I548-L603 HydrophobicContact CD1-CB 4.12Å; I548-L603 HydrophobicContact CG2-CB 4.04Å; I548-L603 HydrophobicContact CG2-CD1 3.92Å; V564-L603 HydrophobicContact CB-CD1 3.8Å; V564-L603 HydrophobicContact CB-CD2 3.81Å; V564-L603 HydrophobicContact CB-CG 4.37Å; V564-L603 HydrophobicContact CG1-CD2 3.9Å; V564-L603 HydrophobicContact CG2-CD1 3.6Å; V564-L603 HydrophobicContact CG2-CD2 3.94Å; V564-L603 HydrophobicContact CG2-CG 4.42Å; V601-L603 HydrophobicContact CG2-CD2 4.39Å; L603-L610 HydrophobicContact CB-CD1 4.09Å; L603-L610 HydrophobicContact CD1-CD1 4.49Å; L603-L610 HydrophobicContact CD2-CD1 4.29Å; L603-Y611 VanDerWaalsContact CA-O 3.29Å; L603-Y611 WeakPolarHBondContact CA-O 3.3Å; L603-A612 HydrophobicContact CD2-CB 3.96Å |
| 604 | V | 85.1 | Confident | 85 | Confident | 68 Ų | 68 | 51.2 Ų | 51.2 | 41% | 0.412 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 139.3 | 173.1 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | Y611 | V604-Y611 PolarHBondContact N-O 2.98Å; V604-Y611 PolarHBondContact O-N 3.3Å |
| 605 | V | 80.8 | Confident | 84.8 | Confident | 34 Ų | 34 | 51.3 Ų | 51.3 | 21% | 0.206 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 126.9 | 170.7 | 172.9 | 0 | 0 | 0 | 0 | 108 | I548 P550 C609 L610 | I548-V605 HydrophobicContact CD1-CB 4.4Å; I548-V605 HydrophobicContact CD1-CG2 3.69Å; I548-V605 HydrophobicContact CG1-CG2 3.91Å; I548-V605 HydrophobicContact CG2-CG2 4.11Å; P550-V605 HydrophobicContact CB-CG1 4.01Å; P550-V605 HydrophobicContact CB-CG2 4.08Å; V605-C609 WeakPolarHBondContact CA-O 3.41Å; V605-L610 HydrophobicContact CG2-CD1 4.18Å |
| 606 | F | 76.3 | Confident | 84.6 | Confident | 114 Ų | 114 | 49.7 Ų | 49.7 | 50% | 0.5 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 135.2 | 178.4 | 178 | -101.5 | 0 | 0 | 0 | 108.6 | D608 C609 Y611 | F606-D608 VanDerWaalsContact C-N 3.29Å; F606-D608 PolarHBondContact O-N 2.93Å; F606-D608 VanDerWaalsContact O-N 3.16Å; F606-C609 PolarHBondContact N-O 3.4Å; F606-C609 PolarHBondContact O-N 3.47Å; F606-Y611 HydrophobicContact CB-CD2 4.07Å; F606-Y611 HydrophobicContact CB-CE2 3.76Å; F606-Y611 HydrophobicContact CD1-CE2 4.23Å; F606-Y611 WeakPolarHBondContact O-CE2 3.46Å |
| 607 | E | 75.3 | Confident | 84.6 | Confident | 134 Ų | 134 | 50.2 Ų | 50.2 | 63% | 0.626 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.2 | 52.1 | -179.4 | -66.6 | -173.4 | 165.2 | 0 | 0 | 113.9 | C609 | E607-C609 PolarHBondContact O-N 3.3Š|
| 608 | D | 72.2 | Confident | 84.2 | Confident | 59 Ų | 59 | 47 Ų | 47 | 32% | 0.316 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 6.7 | -179.9 | -58.1 | -45.1 | 0 | 0 | 0 | 116.3 | S552 Y557 F606 | S552-D608 WeakPolarHBondContact CA-OD1 3.14Å; S552-D608 WeakPolarHBondContact CB-OD1 3.49Å; S552-D608 PolarHBondContact OG-OD1 3.19Å; Y557-D608 HydrophobicContact CD2-CB 4.42Å; Y557-D608 HydrophobicContact CE2-CB 4.45Å; F606-D608 VanDerWaalsContact C-N 3.29Å; F606-D608 PolarHBondContact O-N 2.93Å; F606-D608 VanDerWaalsContact O-N 3.16Å |
| 609 | C | 79.6 | Confident | 83.7 | Confident | 15 Ų | 15 | 54.2 Ų | 54.2 | 10% | 0.101 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 143.7 | 175 | -67.5 | 0 | 0 | 0 | 0 | 111.5 | V605 F606 E607 Y611 | V605-C609 WeakPolarHBondContact CA-O 3.41Å; F606-C609 PolarHBondContact N-O 3.4Å; F606-C609 PolarHBondContact O-N 3.47Å; E607-C609 PolarHBondContact O-N 3.3Å; C609-Y611 HydrophobicContact CB-CD2 4.23Å; C609-Y611 HydrophobicContact CB-CE2 3.5Å; C609-Y611 VanDerWaalsContact CB-CE2 3.5Å |
| 610 | L | 81.9 | Confident | 83.6 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 7% | 0.068 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 113 | 172.9 | 169.4 | 54.9 | 0 | 0 | 0 | 109.7 | I548 Y562 V564 L603 V605 Y627 L628 | I548-L610 HydrophobicContact CG2-CD1 3.28Å; I548-L610 HydrophobicContact CG2-CD2 4.14Å; I548-L610 HydrophobicContact CG2-CG 4.34Å; Y562-L610 HydrophobicContact CD1-CD2 4.01Å; Y562-L610 HydrophobicContact CD2-CD2 4.46Å; Y562-L610 HydrophobicContact CG-CD2 3.84Å; V564-L610 HydrophobicContact CG2-CD2 3.96Å; L603-L610 HydrophobicContact CB-CD1 4.09Å; L603-L610 HydrophobicContact CD1-CD1 4.49Å; L603-L610 HydrophobicContact CD2-CD1 4.29Å; V605-L610 HydrophobicContact CG2-CD1 4.18Å; L610-Y627 CarbonylContact O-C 3.52Å; L610-Y627 WeakPolarHBondContact O-CA 3.29Å; L610-L628 HydrophobicContact CB-CB 4.31Å; L610-L628 PolarHBondContact N-O 3.31Å; L610-L628 PolarHBondContact O-N 3.39Å |
| 611 | Y | 87.5 | Confident | 83.6 | Confident | 53 Ų | 53 | 60.7 Ų | 60.7 | 21% | 0.208 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 132.1 | 178.9 | -64 | -96.1 | 0 | 0 | 0 | 111.7 | L603 V604 F606 C609 V625 E626 Y627 | L603-Y611 VanDerWaalsContact CA-O 3.29Å; L603-Y611 WeakPolarHBondContact CA-O 3.3Å; V604-Y611 PolarHBondContact N-O 2.98Å; V604-Y611 PolarHBondContact O-N 3.3Å; F606-Y611 HydrophobicContact CB-CD2 4.07Å; F606-Y611 HydrophobicContact CB-CE2 3.76Å; F606-Y611 HydrophobicContact CD1-CE2 4.23Å; F606-Y611 WeakPolarHBondContact O-CE2 3.46Å; C609-Y611 HydrophobicContact CB-CD2 4.23Å; C609-Y611 HydrophobicContact CB-CE2 3.5Å; C609-Y611 VanDerWaalsContact CB-CE2 3.5Å; Y611-V625 HydrophobicContact CD1-CG1 3.96Å; Y611-E626 CarbonylContact C-O 3.49Å; Y611-E626 WeakPolarHBondContact CA-O 3.37Å; Y611-Y627 HydrophobicContact CD1-CD1 4.48Å; Y611-Y627 HydrophobicContact CD1-CG 4.49Å; Y611-Y627 AromaticContact CE1-CD1 3.95Å; Y611-Y627 HydrophobicContact CE1-CD1 3.95Å; Y611-Y627 HydrophobicContact CE1-CG 4.14Å |
| 612 | A | 89.2 | Confident | 83.4 | Confident | 5 Ų | 5 | 61.9 Ų | 61.9 | 4% | 0.041 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 111.2 | 170 | 0 | 0 | 0 | 0 | 0 | 109.4 | V564 M594 V601 L603 V625 E626 | V564-A612 HydrophobicContact CG1-CB 4.49Å; M594-A612 HydrophobicContact SD-CB 3.87Å; V601-A612 HydrophobicContact CG2-CB 3.81Å; L603-A612 HydrophobicContact CD2-CB 3.96Å; A612-V625 VanDerWaalsContact O-CA 3.31Å; A612-V625 WeakPolarHBondContact O-CA 3.21Å; A612-E626 PolarHBondContact N-O 2.87Å; A612-E626 PolarHBondContact O-N 2.95Å |
| 613 | V | 90.2 | Very high | 83.1 | Confident | 64 Ų | 64 | 61.5 Ų | 61.5 | 39% | 0.388 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 121.3 | -172.9 | -176.8 | 0 | 0 | 0 | 0 | 110.3 | R602 V625 | R602-V613 PolarHBondContact N-O 3.25Å; R602-V613 PolarHBondContact O-N 2.92Å; V613-V625 HydrophobicContact CB-CG2 4.34Å; V613-V625 HydrophobicContact CG1-CG2 4.03Å; V613-V625 HydrophobicContact CG2-CG1 4.2Å; V613-V625 HydrophobicContact CG2-CG2 4.14Å |
| 614 | G | 89.1 | Confident | 82.9 | Confident | 11 Ų | 11 | 62.5 Ų | 62.5 | 11% | 0.113 | 33% | 0.333 | C | S | . | . | trans | 61.7 | -144.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R598 L622 S624 | R598-G614 WeakPolarHBondContact CD-O 3.32Å; R598-G614 PolarHBondContact NH1-O 2.96Å; G614-L622 WeakPolarHBondContact CA-O 3.49Å; G614-S624 PolarHBondContact N-O 3.26Å | ||
| 615 | G | 86.7 | Confident | 83 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 16% | 0.155 | 32% | 0.323 | C | S | . | . | trans | 106.6 | -168.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A599 F621 L622 | A599-G615 CarbonylContact O-C 3.53Å; A599-G615 WeakPolarHBondContact O-CA 3.33Å; G615-F621 CarbonylContact O-C 3.49Å; G615-F621 WeakPolarHBondContact O-CA 3.32Å; G615-L622 PolarHBondContact O-N 3.19Å | ||
| 616 | F | 85 | Confident | 83.2 | Confident | 61 Ų | 61 | 59.7 Ų | 59.7 | 27% | 0.268 | 32% | 0.315 | S | S | . | . | B | Isolated β-bridge | trans | -129.4 | 125.7 | -178.3 | -179.3 | -110.5 | 0 | 0 | 0 | 110.5 | S572 A599 G618 M620 F621 | S572-F616 WeakPolarHBondContact CB-O 3.45Å; S572-F616 PolarHBondContact OG-O 3.23Å; A599-F616 PolarHBondContact N-O 2.9Å; A599-F616 PolarHBondContact O-N 3.26Å; F616-G618 WeakPolarHBondContact CZ-O 3.38Å; F616-M620 WeakPolarHBondContact CA-O 3.48Å; F616-M620 VanDerWaalsContact CD2-C 3.44Å; F616-M620 VanDerWaalsContact CD2-O 3.23Å; F616-M620 WeakPolarHBondContact CD2-O 3.16Å; F616-F621 HydrophobicContact CB-CD1 4.08Å; F616-F621 HydrophobicContact CB-CE1 4.18Å; F616-F621 AromaticContact CD2-CD1 3.91Å; F616-F621 HydrophobicContact CD2-CD1 3.91Å; F616-F621 HydrophobicContact CD2-CD2 4.4Å; F616-F621 AromaticContact CD2-CE1 3.93Å; F616-F621 HydrophobicContact CD2-CE1 3.93Å; F616-F621 HydrophobicContact CD2-CE2 4.42Å; F616-F621 HydrophobicContact CD2-CG 4.15Å; F616-F621 HydrophobicContact CD2-CZ 4.2Å; F616-F621 HydrophobicContact CG-CD1 4.4Å; F616-F621 HydrophobicContact CG-CE1 4.29Å |
| 617 | D | 86.7 | Confident | 83.6 | Confident | 43 Ų | 43 | 55.5 Ų | 55.5 | 23% | 0.23 | 30% | 0.297 | C | S | . | . | trans | -88.9 | -5 | -174.5 | 71.1 | -3.5 | 0 | 0 | 0 | 114.6 | R597 N619 M620 L622 | R597-D617 HydrophobicContact CB-CB 4.38Å; R597-D617 VanDerWaalsContact O-CA 3.22Å; R597-D617 WeakPolarHBondContact O-CA 3.29Å; R597-D617 WeakPolarHBondContact O-CB 3.42Å; D617-N619 WeakPolarHBondContact OD1-CA 3.36Å; D617-N619 PolarHBondContact OD1-N 3.1Å; D617-M620 PolarHBondContact N-O 2.9Å; D617-M620 VanDerWaalsContact N-O 3.16Å; D617-M620 PolarHBondContact OD1-N 3.4Å; D617-L622 HydrophobicContact CB-CD1 4.27Å; D617-L622 HydrophobicContact CB-CD2 4.13Å; D617-L622 HydrophobicContact CB-CG 4.33Å | ||
| 618 | G | 79.7 | Confident | 83.9 | Confident | 39 Ų | 39 | 50.1 Ų | 50.1 | 40% | 0.402 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 112.5 | -20.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | F616 | F616-G618 WeakPolarHBondContact CZ-O 3.38Š|
| 619 | N | 80.9 | Confident | 83.9 | Confident | 151 Ų | 151 | 51.5 Ų | 51.5 | 81% | 0.807 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -124.4 | -40.5 | -180 | -69 | -34.9 | 0 | 0 | 0 | 112.7 | D617 | D617-N619 WeakPolarHBondContact OD1-CA 3.36Å; D617-N619 PolarHBondContact OD1-N 3.1Å |
| 620 | M | 84.6 | Confident | 83 | Confident | 116 Ų | 116 | 55 Ų | 55 | 57% | 0.571 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -138.8 | 154.5 | -176 | 63.6 | 177.1 | 64.4 | 0 | 0 | 113 | F616 D617 L622 | F616-M620 WeakPolarHBondContact CA-O 3.48Å; F616-M620 VanDerWaalsContact CD2-C 3.44Å; F616-M620 VanDerWaalsContact CD2-O 3.23Å; F616-M620 WeakPolarHBondContact CD2-O 3.16Å; D617-M620 PolarHBondContact N-O 2.9Å; D617-M620 VanDerWaalsContact N-O 3.16Å; D617-M620 PolarHBondContact OD1-N 3.4Å; M620-L622 HydrophobicContact CG-CD2 4.3Å |
| 621 | F | 83.7 | Confident | 81.6 | Confident | 170 Ų | 170 | 57 Ų | 57 | 75% | 0.746 | 32% | 0.319 | S | S | * | . | B | Isolated β-bridge | trans | -78.4 | 124.7 | 169 | -64.6 | -78.6 | 0 | 0 | 0 | 109.3 | G615 F616 | G615-F621 CarbonylContact O-C 3.49Å; G615-F621 WeakPolarHBondContact O-CA 3.32Å; F616-F621 HydrophobicContact CB-CD1 4.08Å; F616-F621 HydrophobicContact CB-CE1 4.18Å; F616-F621 AromaticContact CD2-CD1 3.91Å; F616-F621 HydrophobicContact CD2-CD1 3.91Å; F616-F621 HydrophobicContact CD2-CD2 4.4Å; F616-F621 AromaticContact CD2-CE1 3.93Å; F616-F621 HydrophobicContact CD2-CE1 3.93Å; F616-F621 HydrophobicContact CD2-CE2 4.42Å; F616-F621 HydrophobicContact CD2-CG 4.15Å; F616-F621 HydrophobicContact CD2-CZ 4.2Å; F616-F621 HydrophobicContact CG-CD1 4.4Å; F616-F621 HydrophobicContact CG-CE1 4.29Å |
| 622 | L | 80.8 | Confident | 79.6 | Confident | 26 Ų | 26 | 61.2 Ų | 61.2 | 14% | 0.136 | 34% | 0.342 | C | S | . | . | trans | -81.1 | 133.2 | -175 | -59.1 | 176.2 | 0 | 0 | 0 | 110.4 | R597 R598 G614 G615 D617 M620 | R597-L622 WeakPolarHBondContact O-CD1 3.47Å; R598-L622 HydrophobicContact CB-CD1 4.47Å; R598-L622 HydrophobicContact CG-CD1 3.73Å; G614-L622 WeakPolarHBondContact CA-O 3.49Å; G615-L622 PolarHBondContact O-N 3.19Å; D617-L622 HydrophobicContact CB-CD1 4.27Å; D617-L622 HydrophobicContact CB-CD2 4.13Å; D617-L622 HydrophobicContact CB-CG 4.33Å; M620-L622 HydrophobicContact CG-CD2 4.3Å | ||
| 623 | N | 83 | Confident | 77.6 | Confident | 91 Ų | 91 | 63.8 Ų | 63.8 | 49% | 0.487 | 36% | 0.363 | S | S | . | . | trans | -94.3 | -5.2 | 166.6 | 64.4 | -2.4 | 0 | 0 | 0 | 112.5 | ||||
| 624 | S | 83 | Confident | 75.7 | Confident | 30 Ų | 30 | 61.4 Ų | 61.4 | 21% | 0.21 | 35% | 0.348 | C | S | . | . | trans | -77.6 | 153.9 | -175.7 | 60.5 | 0 | 0 | 0 | 0 | 112.4 | R598 G614 | R598-S624 PolarHBondContact NH1-O 2.75Å; R598-S624 PolarHBondContact NH1-OG 2.97Å; R598-S624 PolarHBondContact NH2-OG 3.29Å; G614-S624 PolarHBondContact N-O 3.26Å | ||
| 625 | V | 86 | Confident | 73.5 | Confident | 34 Ų | 34 | 64 Ų | 64 | 21% | 0.206 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.7 | 175.5 | 176.6 | 0 | 0 | 0 | 0 | 106.7 | Y611 A612 V613 M642 | Y611-V625 HydrophobicContact CD1-CG1 3.96Å; A612-V625 VanDerWaalsContact O-CA 3.31Å; A612-V625 WeakPolarHBondContact O-CA 3.21Å; V613-V625 HydrophobicContact CB-CG2 4.34Å; V613-V625 HydrophobicContact CG1-CG2 4.03Å; V613-V625 HydrophobicContact CG2-CG1 4.2Å; V613-V625 HydrophobicContact CG2-CG2 4.14Å; V625-M642 HydrophobicContact CB-CE 3.59Å; V625-M642 HydrophobicContact CG2-CE 3.65Å; V625-M642 VanDerWaalsContact N-CE 3.27Å |
| 626 | E | 86.3 | Confident | 71.4 | Confident | 9 Ų | 9 | 71.1 Ų | 71.1 | 4% | 0.042 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 151.5 | 173.1 | -71.1 | 178.9 | -116.4 | 0 | 0 | 108.7 | N595 S596 R598 Y611 A612 | N595-E626 VanDerWaalsContact CB-OE2 3.27Å; N595-E626 WeakPolarHBondContact CB-OE2 3.39Å; N595-E626 PolarHBondContact N-OE2 3.31Å; N595-E626 PolarHBondContact ND2-OE2 3.02Å; S596-E626 WeakPolarHBondContact CB-OE1 3.49Å; S596-E626 PolarHBondContact N-OE1 3.04Å; S596-E626 VanDerWaalsContact N-OE1 3.14Å; S596-E626 PolarHBondContact OG-OE1 3.2Å; R598-E626 IonicContact CZ-OE1 3.74Å; R598-E626 IonicContact NE-OE1 2.92Å; R598-E626 PolarHBondContact NE-OE1 3.11Å; R598-E626 IonicContact NH2-OE1 3.27Å; R598-E626 PolarHBondContact NH2-OE1 3.47Å; Y611-E626 CarbonylContact C-O 3.49Å; Y611-E626 WeakPolarHBondContact CA-O 3.37Å; A612-E626 PolarHBondContact N-O 2.87Å; A612-E626 PolarHBondContact O-N 2.95Å |
| 627 | Y | 85.1 | Confident | 69 | Low | 27 Ų | 27 | 70.1 Ų | 70.1 | 11% | 0.106 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 156.4 | 172.9 | 70.8 | -108.2 | 0 | 0 | 0 | 112 | L610 Y611 E629 P634 T635 C637 P638 | L610-Y627 CarbonylContact O-C 3.52Å; L610-Y627 WeakPolarHBondContact O-CA 3.29Å; Y611-Y627 HydrophobicContact CD1-CD1 4.48Å; Y611-Y627 HydrophobicContact CD1-CG 4.49Å; Y611-Y627 AromaticContact CE1-CD1 3.95Å; Y611-Y627 HydrophobicContact CE1-CD1 3.95Å; Y611-Y627 HydrophobicContact CE1-CG 4.14Å; Y627-E629 HydrophobicContact CD2-CB 4.02Å; Y627-E629 HydrophobicContact CE2-CB 3.76Å; Y627-P634 WeakPolarHBondContact O-CA 3.48Å; Y627-P634 WeakPolarHBondContact O-CB 3.34Å; Y627-T635 WeakPolarHBondContact CE2-OG1 3.46Å; Y627-C637 HydrophobicContact CD1-CB 3.58Å; Y627-C637 HydrophobicContact CE1-CB 3.4Å; Y627-C637 WeakPolarHBondContact CE1-SG 3.34Å; Y627-P638 WeakPolarHBondContact OH-CD 3.16Å |
| 628 | L | 80.2 | Confident | 66.3 | Low | 20 Ų | 20 | 72.8 Ų | 72.8 | 11% | 0.105 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 112.7 | 171.2 | -179 | 73.9 | 0 | 0 | 0 | 108.7 | Y562 I591 L610 M632 | Y562-L628 HydrophobicContact CD1-CD2 4.28Å; Y562-L628 HydrophobicContact CE1-CD2 3.89Å; I591-L628 HydrophobicContact CD1-CD2 3.56Å; L610-L628 HydrophobicContact CB-CB 4.31Å; L610-L628 PolarHBondContact N-O 3.31Å; L610-L628 PolarHBondContact O-N 3.39Å; L628-M632 WeakPolarHBondContact CD1-O 3.39Å |
| 629 | E | 72.6 | Confident | 63.8 | Low | 88 Ų | 88 | 76.5 Ų | 76.5 | 41% | 0.411 | 42% | 0.419 | S | S | . | . | trans | -101.3 | 128.5 | 172.3 | -175 | -179.8 | -176 | 0 | 0 | 109.1 | Y627 G631 M632 | Y627-E629 HydrophobicContact CD2-CB 4.02Å; Y627-E629 HydrophobicContact CE2-CB 3.76Å; E629-G631 VanDerWaalsContact C-N 3.31Å; E629-G631 PolarHBondContact O-N 3.07Å; E629-M632 PolarHBondContact O-N 3.11Å; E629-M632 VanDerWaalsContact O-N 3.08Å | ||
| 630 | N | 61.8 | Low | 61.5 | Low | 88 Ų | 88 | 73.4 Ų | 73.4 | 47% | 0.471 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 33.6 | 164.6 | -64.2 | -11.6 | 0 | 0 | 0 | 119.4 | Y557 M632 | Y557-N630 WeakPolarHBondContact OH-CA 3.49Å; Y557-N630 WeakPolarHBondContact OH-CB 3.39Å; Y557-N630 PolarHBondContact OH-OD1 3.4Å; N630-M632 PolarHBondContact O-N 3.2Å; N630-M632 VanDerWaalsContact O-N 3.07Å |
| 631 | G | 51.1 | Low | 58.8 | Low | 57 Ų | 57 | 71.3 Ų | 71.3 | 59% | 0.588 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 11.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | E629 | E629-G631 VanDerWaalsContact C-N 3.31Å; E629-G631 PolarHBondContact O-N 3.07Å |
| 632 | M | 46.6 | Very low | 56.2 | Low | 141 Ų | 141 | 65.4 Ų | 65.4 | 70% | 0.695 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -78.3 | 163.5 | 162.8 | -66.6 | -168.4 | 178.1 | 0 | 0 | 108.7 | L628 E629 N630 | L628-M632 WeakPolarHBondContact CD1-O 3.39Å; E629-M632 PolarHBondContact O-N 3.11Å; E629-M632 VanDerWaalsContact O-N 3.08Å; N630-M632 PolarHBondContact O-N 3.2Å; N630-M632 VanDerWaalsContact O-N 3.07Å |
| 633 | A | 46.9 | Very low | 53.9 | Low | 58 Ų | 58 | 67.9 Ų | 67.9 | 48% | 0.479 | 38% | 0.381 | S | S | . | . | trans | -53.1 | 144.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | P592 T635 | P592-A633 HydrophobicContact CB-CB 3.97Å; P592-A633 HydrophobicContact CG-CB 4.3Å; A633-T635 VanDerWaalsContact C-N 3.32Å; A633-T635 PolarHBondContact O-N 3.24Å | ||
| 634 | P | 50.1 | Low | 52.4 | Low | 14 Ų | 14 | 66.8 Ų | 66.8 | 9% | 0.091 | 38% | 0.376 | C | S | . | . | trans | -56.6 | 103.5 | 176 | 21.6 | -30.4 | 0 | 0 | 0 | 107.7 | A593 N595 Y627 | A593-P634 WeakPolarHBondContact O-CG 3.27Å; N595-P634 PolarHBondContact ND2-O 3.11Å; Y627-P634 WeakPolarHBondContact O-CA 3.48Å; Y627-P634 WeakPolarHBondContact O-CB 3.34Å | ||
| 635 | T | 43.6 | Very low | 50.8 | Low | 67 Ų | 67 | 68.7 Ų | 68.7 | 41% | 0.411 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 138.5 | 174.3 | 36.5 | 0 | 0 | 0 | 0 | 105.8 | Y627 A633 C637 | Y627-T635 WeakPolarHBondContact CE2-OG1 3.46Å; A633-T635 VanDerWaalsContact C-N 3.32Å; A633-T635 PolarHBondContact O-N 3.24Å; T635-C637 PolarHBondContact O-N 3.36Å; T635-C637 VanDerWaalsContact O-N 3.14Å |
| 636 | K | 41 | Very low | 48.9 | Very low | 164 Ų | 164 | 70.6 Ų | 70.6 | 71% | 0.713 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 129 | 160.3 | -85.2 | -176.2 | 174.4 | -177.5 | 0 | 106.1 | P638 | K636-P638 WeakPolarHBondContact O-CD 3.27Å; K636-P638 VanDerWaalsContact O-N 3.07Å |
| 637 | C | 35.8 | Very low | 46.7 | Very low | 40 Ų | 40 | 74.2 Ų | 74.2 | 27% | 0.27 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -49.5 | 121.9 | 168.5 | -169.6 | 0 | 0 | 0 | 0 | 107.5 | Y627 T635 L639 | Y627-C637 HydrophobicContact CD1-CB 3.58Å; Y627-C637 HydrophobicContact CE1-CB 3.4Å; Y627-C637 WeakPolarHBondContact CE1-SG 3.34Å; T635-C637 PolarHBondContact O-N 3.36Å; T635-C637 VanDerWaalsContact O-N 3.14Å; C637-L639 VanDerWaalsContact C-N 3.3Å; C637-L639 PolarHBondContact O-N 3.3Å |
| 638 | P | 29.1 | Very low | 44.3 | Very low | 99 Ų | 99 | 77.2 Ų | 77.2 | 64% | 0.643 | 44% | 0.435 | S | S | * | . | trans | -57.1 | 111.3 | 166.3 | 25.2 | -28.8 | 0 | 0 | 0 | 103.3 | Y627 K636 V640 | Y627-P638 WeakPolarHBondContact OH-CD 3.16Å; K636-P638 WeakPolarHBondContact O-CD 3.27Å; K636-P638 VanDerWaalsContact O-N 3.07Å; P638-V640 PolarHBondContact O-N 3.26Å | ||
| 639 | L | 28.2 | Very low | 41.9 | Very low | 116 Ų | 116 | 81 Ų | 81 | 61% | 0.607 | 46% | 0.457 | S | S | * | . | trans | -34 | 106.3 | -166.7 | -71.7 | 138.5 | 0 | 0 | 0 | 111.3 | C637 H641 | C637-L639 VanDerWaalsContact C-N 3.3Å; C637-L639 PolarHBondContact O-N 3.3Å; L639-H641 HydrophobicContact CB-CB 4.35Å; L639-H641 WeakPolarHBondContact CB-CD2 3.39Å; L639-H641 PolarHBondContact O-N 2.76Å | ||
| 640 | V | 31.3 | Very low | 39.7 | Very low | 87 Ų | 87 | 80.5 Ų | 80.5 | 53% | 0.527 | 46% | 0.46 | S | S | . | . | trans | -68.3 | 89.8 | 130.8 | -178.1 | 0 | 0 | 0 | 0 | 102.2 | P638 M642 | P638-V640 PolarHBondContact O-N 3.26Å; V640-M642 PolarHBondContact O-N 3.45Å; V640-M642 VanDerWaalsContact O-N 3.1Å | ||
| 641 | H | 29.5 | Very low | 38 | Very low | 72 Ų | 72 | 79.9 Ų | 79.9 | 33% | 0.333 | 46% | 0.459 | S | S | . | . | trans | -44.3 | 120.9 | -177.9 | -92.7 | -91.1 | 0 | 0 | 0 | 107.9 | Q182 E183 L639 M643 | Q182-H641 HydrophobicContact CB-CB 3.98Å; Q182-H641 HydrophobicContact CG-CB 3.88Å; E183-H641 IonicContact OE1-CE1 2.87Å; E183-H641 PolarHBondContact OE1-CE1 2.93Å; E183-H641 IonicContact OE1-ND1 3.5Å; L639-H641 HydrophobicContact CB-CB 4.35Å; L639-H641 WeakPolarHBondContact CB-CD2 3.39Å; L639-H641 PolarHBondContact O-N 2.76Å; H641-M643 PolarHBondContact O-N 3.28Å | ||
| 642 | M | 28.9 | Very low | 36.9 | Very low | 45 Ų | 45 | 81.8 Ų | 81.8 | 22% | 0.222 | 45% | 0.448 | C | S | . | . | trans | -84.8 | 72.8 | -174.2 | -73 | -166.8 | -169.7 | 0 | 0 | 110 | Q182 R384 V625 V640 | Q182-M642 CarbonylContact O-C 3.56Å; R384-M642 VanDerWaalsContact NH2-CE 3.29Å; R384-M642 PolarHBondContact NH2-SD 2.88Å; V625-M642 HydrophobicContact CB-CE 3.59Å; V625-M642 HydrophobicContact CG2-CE 3.65Å; V625-M642 VanDerWaalsContact N-CE 3.27Å; V640-M642 PolarHBondContact O-N 3.45Å; V640-M642 VanDerWaalsContact O-N 3.1Å | ||
| 643 | M | 31.5 | Very low | 36 | Very low | 79 Ų | 79 | 76.5 Ų | 76.5 | 39% | 0.389 | 43% | 0.426 | S | S | . | . | trans | 179.6 | 0 | 143 | -102.4 | 165.5 | -73.1 | 0 | 0 | 109.9 | I181 Q182 E183 S184 F187 S188 H641 | I181-M643 HydrophobicContact CG2-CB 3.83Å; I181-M643 WeakPolarHBondContact CG2-OXT 3.22Å; I181-M643 WeakPolarHBondContact O-CB 3.48Å; I181-M643 WeakPolarHBondContact O-CE 3.39Å; I181-M643 WeakPolarHBondContact O-CG 3.1Å; Q182-M643 WeakPolarHBondContact CA-O 3.36Å; Q182-M643 WeakPolarHBondContact CG-O 3.43Å; Q182-M643 PolarHBondContact O-N 3.29Å; E183-M643 VanDerWaalsContact C-CE 3.5Å; S184-M643 VanDerWaalsContact N-CE 3.32Å; S184-M643 VanDerWaalsContact O-CE 3.25Å; S184-M643 WeakPolarHBondContact O-CE 3.24Å; S184-M643 VanDerWaalsContact O-SD 3.39Å; F187-M643 HydrophobicContact CB-SD 4.39Å; F187-M643 HydrophobicContact CD1-SD 3.81Å; S188-M643 PolarHBondContact OG-SD 3.17Å; H641-M643 PolarHBondContact O-N 3.28Å |
Retrieved 643 of 643 residues in 522 ms
(Link to these results)