| 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 | 63.1 | Low | 90.2 | Very high | 119 Ų | 119 | 68.2 Ų | 68.2 | 59% | 0.586 | 37% | 0.369 | S | S | * | . | 0 | 150.9 | 0 | -57.2 | 167.2 | -149.8 | 0 | 0 | 108 | H5 A72 S73 A75 | M1-H5 HydrophobicContact CB-CB 4.18Å; M1-H5 VanDerWaalsContact CG-CD2 3.49Å; M1-H5 WeakPolarHBondContact CG-CD2 3.19Å; M1-H5 PolarHBondContact SD-CD2 3.43Å; M1-A72 WeakPolarHBondContact CB-O 3.41Å; M1-S73 WeakPolarHBondContact CE-O 3.48Å; M1-A75 HydrophobicContact SD-CB 4.26Å | |||
| 2 | S | 84.6 | Confident | 90.8 | Very high | 62 Ų | 62 | 73.8 Ų | 73.8 | 43% | 0.434 | 39% | 0.391 | S | S | . | . | trans | -93.2 | 164.2 | 174.1 | 56.1 | 0 | 0 | 0 | 0 | 110.8 | E4 H5 V6 | S2-E4 PolarHBondContact O-N 3.08Å; S2-H5 WeakPolarHBondContact O-CB 3.19Å; S2-H5 PolarHBondContact O-N 2.96Å; S2-H5 PolarHBondContact OG-N 3.09Å; S2-V6 PolarHBondContact O-N 3.49Å | ||
| 3 | A | 90.1 | Very high | 91.3 | Very high | 37 Ų | 37 | 74.2 Ų | 74.2 | 31% | 0.306 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -54.8 | -35.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | H5 V6 L7 F44 | A3-H5 VanDerWaalsContact C-N 3.35Å; A3-H5 PolarHBondContact O-N 2.92Å; A3-V6 PolarHBondContact O-N 2.96Å; A3-L7 PolarHBondContact O-N 3.29Å; A3-L7 VanDerWaalsContact O-N 3.17Å; A3-F44 HydrophobicContact CB-CB 4.13Å; A3-F44 HydrophobicContact CB-CD1 4.2Å; A3-F44 HydrophobicContact CB-CD2 3.64Å; A3-F44 HydrophobicContact CB-CE2 4.05Å; A3-F44 HydrophobicContact CB-CG 3.72Å; A3-F44 HydrophobicContact CB-CZ 4.49Å |
| 4 | E | 91.1 | Very high | 91.8 | Very high | 147 Ų | 147 | 79 Ų | 79 | 69% | 0.687 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -59.7 | -42.2 | 174.2 | -174.9 | 179.6 | -169.7 | 0 | 0 | 112.4 | S2 V6 L7 T8 | S2-E4 PolarHBondContact O-N 3.08Å; E4-V6 VanDerWaalsContact C-N 3.3Å; E4-V6 PolarHBondContact O-N 2.8Å; E4-L7 PolarHBondContact O-N 2.77Å; E4-T8 PolarHBondContact O-N 3.09Å; E4-T8 PolarHBondContact O-OG1 3.12Å |
| 5 | H | 92 | Very high | 92.2 | Very high | 76 Ų | 76 | 74.5 Ų | 74.5 | 35% | 0.352 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 177 | -179.8 | 70 | 0 | 0 | 0 | 112 | M1 S2 A3 T8 M9 | M1-H5 HydrophobicContact CB-CB 4.18Å; M1-H5 VanDerWaalsContact CG-CD2 3.49Å; M1-H5 WeakPolarHBondContact CG-CD2 3.19Å; M1-H5 PolarHBondContact SD-CD2 3.43Å; S2-H5 WeakPolarHBondContact O-CB 3.19Å; S2-H5 PolarHBondContact O-N 2.96Å; S2-H5 PolarHBondContact OG-N 3.09Å; A3-H5 VanDerWaalsContact C-N 3.35Å; A3-H5 PolarHBondContact O-N 2.92Å; H5-T8 WeakPolarHBondContact O-CB 3.19Å; H5-T8 PolarHBondContact O-N 2.98Å; H5-M9 WeakPolarHBondContact O-CG 3.26Å; H5-M9 PolarHBondContact O-N 2.93Å |
| 6 | V | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 176.3 | 178.9 | 0 | 0 | 0 | 0 | 110.9 | S2 A3 E4 T8 M9 L10 F44 A72 A75 L86 I88 | S2-V6 PolarHBondContact O-N 3.49Å; A3-V6 PolarHBondContact O-N 2.96Å; E4-V6 VanDerWaalsContact C-N 3.3Å; E4-V6 PolarHBondContact O-N 2.8Å; V6-T8 VanDerWaalsContact C-N 3.27Å; V6-T8 PolarHBondContact O-N 3.05Å; V6-M9 WeakPolarHBondContact O-CB 3.4Å; V6-M9 PolarHBondContact O-N 3.25Å; V6-M9 VanDerWaalsContact O-N 3.13Å; V6-L10 WeakPolarHBondContact O-CG 3.17Å; V6-L10 PolarHBondContact O-N 2.61Å; V6-F44 HydrophobicContact CB-CE1 4.46Å; V6-F44 HydrophobicContact CB-CZ 3.78Å; V6-F44 HydrophobicContact CG1-CZ 3.71Å; V6-F44 HydrophobicContact CG2-CE1 4.29Å; V6-F44 HydrophobicContact CG2-CZ 4.11Å; V6-A72 HydrophobicContact CG2-CB 3.91Å; V6-A75 HydrophobicContact CG2-CB 3.78Å; V6-L86 HydrophobicContact CG1-CD2 3.67Å; V6-I88 HydrophobicContact CG1-CD1 3.87Å |
| 7 | L | 93.6 | Very high | 93 | Very high | 70 Ų | 70 | 76.3 Ų | 76.3 | 37% | 0.366 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62 | -35 | 176.3 | -66.5 | 167.6 | 0 | 0 | 0 | 112.1 | A3 E4 L10 N11 V39 | A3-L7 PolarHBondContact O-N 3.29Å; A3-L7 VanDerWaalsContact O-N 3.17Å; E4-L7 PolarHBondContact O-N 2.77Å; L7-L10 HydrophobicContact CD2-CD1 4.37Å; L7-N11 PolarHBondContact O-ND2 3.36Å; L7-V39 HydrophobicContact CD2-CG1 4.25Å |
| 8 | T | 94.9 | Very high | 93.3 | Very high | 74 Ų | 74 | 72.1 Ų | 72.1 | 45% | 0.454 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.2 | -47.9 | 171 | -54.5 | 0 | 0 | 0 | 0 | 111.5 | E4 H5 V6 L10 N11 E12 | E4-T8 PolarHBondContact O-N 3.09Å; E4-T8 PolarHBondContact O-OG1 3.12Å; H5-T8 WeakPolarHBondContact O-CB 3.19Å; H5-T8 PolarHBondContact O-N 2.98Å; V6-T8 VanDerWaalsContact C-N 3.27Å; V6-T8 PolarHBondContact O-N 3.05Å; T8-L10 VanDerWaalsContact C-N 3.29Å; T8-L10 PolarHBondContact O-N 2.9Å; T8-N11 PolarHBondContact O-N 3.35Å; T8-N11 VanDerWaalsContact O-N 3.08Å; T8-E12 WeakPolarHBondContact O-CB 3.23Å; T8-E12 PolarHBondContact O-N 2.81Å |
| 9 | M | 95.9 | Very high | 93.6 | Very high | 19 Ų | 19 | 68.3 Ų | 68.3 | 9% | 0.094 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.8 | -38.7 | 178.5 | -71.9 | -176.8 | 76.3 | 0 | 0 | 112.8 | H5 V6 N11 E12 H13 A75 L86 | H5-M9 WeakPolarHBondContact O-CG 3.26Å; H5-M9 PolarHBondContact O-N 2.93Å; V6-M9 WeakPolarHBondContact O-CB 3.4Å; V6-M9 PolarHBondContact O-N 3.25Å; V6-M9 VanDerWaalsContact O-N 3.13Å; M9-N11 PolarHBondContact O-N 2.78Å; M9-E12 PolarHBondContact O-N 3.26Å; M9-H13 PolarHBondContact O-N 2.85Å; M9-A75 HydrophobicContact SD-CB 4.12Å; M9-L86 HydrophobicContact CE-CD1 3.67Å; M9-L86 HydrophobicContact SD-CD1 4.35Å |
| 10 | L | 96.7 | Very high | 93.9 | Very high | 16 Ų | 16 | 64.9 Ų | 64.9 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.8 | -39.9 | 176.6 | -68.4 | -178.5 | 0 | 0 | 0 | 111.9 | V6 L7 T8 E14 V15 V18 A36 V39 L86 | V6-L10 WeakPolarHBondContact O-CG 3.17Å; V6-L10 PolarHBondContact O-N 2.61Å; L7-L10 HydrophobicContact CD2-CD1 4.37Å; T8-L10 VanDerWaalsContact C-N 3.29Å; T8-L10 PolarHBondContact O-N 2.9Å; L10-E14 PolarHBondContact O-N 3.17Å; L10-V15 HydrophobicContact CB-CB 4.44Å; L10-V15 HydrophobicContact CD2-CB 3.71Å; L10-V15 HydrophobicContact CD2-CG1 3.59Å; L10-V15 HydrophobicContact CD2-CG2 4.12Å; L10-V15 PolarHBondContact O-N 3.34Å; L10-V18 HydrophobicContact CD2-CG2 3.68Å; L10-A36 HydrophobicContact CD2-CB 4.42Å; L10-V39 HydrophobicContact CD1-CB 3.92Å; L10-V39 HydrophobicContact CD1-CG1 3.96Å; L10-V39 HydrophobicContact CD1-CG2 4.37Å; L10-L86 HydrophobicContact CD2-CB 4.23Å; L10-L86 HydrophobicContact CD2-CD2 3.78Å; L10-L86 HydrophobicContact CG-CD2 4.47Å |
| 11 | N | 96.1 | Very high | 94.1 | Very high | 130 Ų | 130 | 62.2 Ų | 62.2 | 70% | 0.695 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -78.2 | -44.2 | 178.2 | -68.2 | -64.8 | 0 | 0 | 0 | 112 | L7 T8 M9 H13 E14 | L7-N11 PolarHBondContact O-ND2 3.36Å; T8-N11 PolarHBondContact O-N 3.35Å; T8-N11 VanDerWaalsContact O-N 3.08Å; M9-N11 PolarHBondContact O-N 2.78Å; N11-H13 VanDerWaalsContact C-N 3.35Å; N11-H13 PolarHBondContact O-N 3.18Å; N11-E14 PolarHBondContact O-N 3Å |
| 12 | E | 97.2 | Very high | 95.8 | Very high | 136 Ų | 136 | 57 Ų | 57 | 64% | 0.636 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.5 | -40.4 | -176.7 | -176.6 | 174.8 | 170 | 0 | 0 | 112.7 | T8 M9 | T8-E12 WeakPolarHBondContact O-CB 3.23Å; T8-E12 PolarHBondContact O-N 2.81Å; M9-E12 PolarHBondContact O-N 3.26Å |
| 13 | H | 97.4 | Very high | 96.5 | Very high | 79 Ų | 79 | 54.3 Ų | 54.3 | 37% | 0.366 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 11.9 | 179.3 | -62.4 | -72.8 | 0 | 0 | 0 | 113.5 | M9 N11 V15 I77 S84 | M9-H13 PolarHBondContact O-N 2.85Å; N11-H13 VanDerWaalsContact C-N 3.35Å; N11-H13 PolarHBondContact O-N 3.18Å; H13-V15 HydrophobicContact CB-CG2 3.81Å; H13-V15 PolarHBondContact O-N 3.49Å; H13-V15 VanDerWaalsContact O-N 3.09Å; H13-I77 HydrophobicContact CB-CD1 3.69Å; H13-I77 HydrophobicContact CB-CG1 4.3Å; H13-S84 PolarHBondContact O-OG 3.13Å |
| 14 | E | 97.9 | Very high | 96.9 | Very high | 141 Ų | 141 | 53.4 Ų | 53.4 | 66% | 0.659 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 38.2 | -178.1 | -59.2 | -172.5 | 86 | 0 | 0 | 113.5 | L10 N11 K16 | L10-E14 PolarHBondContact O-N 3.17Å; N11-E14 PolarHBondContact O-N 3Å; E14-K16 WeakPolarHBondContact O-CD 3.31Å; E14-K16 VanDerWaalsContact O-CE 3.31Å; E14-K16 WeakPolarHBondContact O-CE 3.48Å; E14-K16 PolarHBondContact O-N 2.92Å; E14-K16 PolarHBondContact O-NZ 2.74Å |
| 15 | V | 98.5 | Very high | 97.2 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 7% | 0.067 | 23% | 0.229 | C | C | . | . | trans | -58.2 | 131.1 | -170 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | L10 H13 F17 A36 I77 L86 | L10-V15 HydrophobicContact CB-CB 4.44Å; L10-V15 HydrophobicContact CD2-CB 3.71Å; L10-V15 HydrophobicContact CD2-CG1 3.59Å; L10-V15 HydrophobicContact CD2-CG2 4.12Å; L10-V15 PolarHBondContact O-N 3.34Å; H13-V15 HydrophobicContact CB-CG2 3.81Å; H13-V15 PolarHBondContact O-N 3.49Å; H13-V15 VanDerWaalsContact O-N 3.09Å; V15-F17 WeakPolarHBondContact CG1-O 3.29Å; V15-A36 HydrophobicContact CG1-CB 4.33Å; V15-A36 WeakPolarHBondContact O-CB 3.45Å; V15-I77 HydrophobicContact CG2-CD1 3.88Å; V15-L86 HydrophobicContact CG1-CB 3.91Å; V15-L86 HydrophobicContact CG2-CB 4.28Å | ||
| 16 | K | 98.6 | Very high | 97.5 | Very high | 108 Ų | 108 | 46.3 Ų | 46.3 | 47% | 0.47 | 23% | 0.226 | S | C | . | . | trans | -96.2 | -32.5 | 177.4 | -54.4 | -51.4 | 178.3 | -138.2 | 0 | 112 | E14 A36 S84 | E14-K16 WeakPolarHBondContact O-CD 3.31Å; E14-K16 VanDerWaalsContact O-CE 3.31Å; E14-K16 WeakPolarHBondContact O-CE 3.48Å; E14-K16 PolarHBondContact O-N 2.92Å; E14-K16 PolarHBondContact O-NZ 2.74Å; K16-A36 WeakPolarHBondContact O-CB 3.47Å; K16-A36 PolarHBondContact O-N 2.79Å; K16-S84 PolarHBondContact N-O 2.78Å | ||
| 17 | F | 98.8 | Very high | 97.7 | Very high | 72 Ų | 72 | 46.7 Ų | 46.7 | 32% | 0.316 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 155 | -175.5 | -57.3 | -77 | 0 | 0 | 0 | 112.4 | V15 T33 I34 D83 S84 T85 L86 | V15-F17 WeakPolarHBondContact CG1-O 3.29Å; F17-T33 HydrophobicContact CB-CG2 3.65Å; F17-T33 HydrophobicContact CD1-CG2 4.16Å; F17-T33 HydrophobicContact CG-CG2 4.13Å; F17-I34 CarbonylContact C-O 3.49Å; F17-I34 WeakPolarHBondContact CA-O 3.39Å; F17-D83 HydrophobicContact CD2-CB 4Å; F17-D83 HydrophobicContact CE2-CB 3.84Å; F17-S84 PolarHBondContact N-O 2.68Å; F17-T85 HydrophobicContact CB-CG2 3.92Å; F17-T85 VanDerWaalsContact O-CA 3.29Å; F17-T85 WeakPolarHBondContact O-CA 3.42Å; F17-L86 PolarHBondContact O-N 3.31Å |
| 18 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 124.4 | 169.3 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | L10 L20 T33 I34 V39 L86 I88 | L10-V18 HydrophobicContact CD2-CG2 3.68Å; V18-L20 HydrophobicContact CG1-CD2 3.86Å; V18-T33 WeakPolarHBondContact O-CA 3.09Å; V18-I34 HydrophobicContact CB-CG1 3.98Å; V18-I34 PolarHBondContact N-O 3.3Å; V18-I34 PolarHBondContact O-N 3.39Å; V18-V39 HydrophobicContact CB-CG2 4.18Å; V18-V39 HydrophobicContact CG1-CG2 4.46Å; V18-V39 HydrophobicContact CG2-CG2 3.71Å; V18-L86 CarbonylContact C-O 3.57Å; V18-L86 VanDerWaalsContact CA-O 3.23Å; V18-L86 WeakPolarHBondContact CA-O 3.34Å; V18-L86 HydrophobicContact CG2-CB 4.36Å; V18-I88 HydrophobicContact CG1-CB 4.43Å; V18-I88 HydrophobicContact CG1-CD1 3.66Å; V18-I88 HydrophobicContact CG1-CG1 3.9Å |
| 19 | D | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 104.6 | -178.6 | -163.4 | 58.5 | 0 | 0 | 0 | 109.6 | R21 H31 T33 F81 T85 L86 I87 I88 | D19-R21 PolarHBondContact O-N 3.29Å; D19-R21 WeakPolarHBondContact OD2-CG 3.21Å; D19-R21 IonicContact OD2-CZ 3.6Å; D19-R21 IonicContact OD2-NE 3.49Å; D19-R21 PolarHBondContact OD2-NE 3.13Å; D19-R21 IonicContact OD2-NH2 3.55Å; D19-R21 PolarHBondContact OD2-NH2 3.24Å; D19-H31 IonicContact OD1-CE1 2.64Å; D19-H31 IonicContact OD1-CG 2.81Å; D19-H31 IonicContact OD1-ND1 3.93Å; D19-H31 PolarHBondContact OD1-ND1 3.48Å; D19-H31 IonicContact OD2-CG 3.97Å; D19-H31 IonicContact OD2-ND1 3.93Å; D19-H31 PolarHBondContact OD2-ND1 3.43Å; D19-T33 PolarHBondContact OD1-OG1 3.37Å; D19-F81 HydrophobicContact CB-CE2 4.33Å; D19-T85 HydrophobicContact CB-CG2 3.84Å; D19-L86 PolarHBondContact N-O 2.62Å; D19-I87 HydrophobicContact CB-CG1 4.36Å; D19-I87 WeakPolarHBondContact O-CA 3.38Å; D19-I88 PolarHBondContact O-N 2.88Å |
| 20 | L | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 112.6 | -179.2 | -54.6 | -178.3 | 0 | 0 | 0 | 108.9 | V18 H31 V32 I34 F43 K48 L68 I88 | V18-L20 HydrophobicContact CG1-CD2 3.86Å; L20-H31 CarbonylContact O-C 3.5Å; L20-H31 VanDerWaalsContact O-CA 3.23Å; L20-H31 WeakPolarHBondContact O-CA 3.2Å; L20-V32 HydrophobicContact CB-CG1 3.91Å; L20-V32 WeakPolarHBondContact CB-O 3.49Å; L20-V32 HydrophobicContact CD1-CG1 4.3Å; L20-V32 PolarHBondContact N-O 2.75Å; L20-V32 PolarHBondContact O-N 3.01Å; L20-I34 HydrophobicContact CD1-CD1 4.26Å; L20-I34 HydrophobicContact CD1-CG2 4.45Å; L20-F43 HydrophobicContact CD1-CE2 4.11Å; L20-F43 HydrophobicContact CD2-CE2 3.93Å; L20-F43 HydrophobicContact CD2-CZ 3.54Å; L20-K48 HydrophobicContact CD1-CB 4.48Å; L20-K48 HydrophobicContact CD1-CG 4.38Å; L20-L68 HydrophobicContact CD1-CD1 4.45Å; L20-I88 WeakPolarHBondContact CA-O 3.08Å; L20-I88 HydrophobicContact CD2-CB 4.4Å |
| 21 | R | 98.8 | Very high | 98.4 | Very high | 8 Ų | 8 | 53.8 Ų | 53.8 | 3% | 0.03 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 142.1 | -177.7 | -64.5 | -165.5 | -174.7 | 179.3 | 7.6 | 112.5 | D19 E29 Q30 H31 D78 I87 I88 R89 C90 Y241 | D19-R21 PolarHBondContact O-N 3.29Å; D19-R21 WeakPolarHBondContact OD2-CG 3.21Å; D19-R21 IonicContact OD2-CZ 3.6Å; D19-R21 IonicContact OD2-NE 3.49Å; D19-R21 PolarHBondContact OD2-NE 3.13Å; D19-R21 IonicContact OD2-NH2 3.55Å; D19-R21 PolarHBondContact OD2-NH2 3.24Å; R21-E29 HydrophobicContact CB-CG 4.17Å; R21-E29 IonicContact NH1-OE2 3.71Å; R21-E29 PolarHBondContact NH1-OE2 3.23Å; R21-Q30 VanDerWaalsContact CA-O 3.27Å; R21-Q30 WeakPolarHBondContact CA-O 3.42Å; R21-H31 HydrophobicContact CG-CB 3.87Å; R21-D78 IonicContact NH2-OD2 3.69Å; R21-D78 PolarHBondContact NH2-OD2 2.8Å; R21-I87 HydrophobicContact CB-CG2 4.39Å; R21-I87 HydrophobicContact CG-CG2 3.9Å; R21-I88 PolarHBondContact N-O 3.12Å; R21-R89 CarbonylContact O-C 3.55Å; R21-R89 VanDerWaalsContact O-CA 3.28Å; R21-R89 WeakPolarHBondContact O-CA 3.43Å; R21-C90 PolarHBondContact O-N 3.35Å; R21-Y241 VanDerWaalsContact NH2-CZ 3.27Å; R21-Y241 PolarHBondContact NH2-OH 2.86Å |
| 22 | F | 98.7 | Very high | 98.5 | Very high | 11 Ų | 11 | 50.7 Ų | 50.7 | 5% | 0.048 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 173.9 | 172.2 | 64.3 | -85.6 | 0 | 0 | 0 | 109.3 | E29 Q30 F50 I55 W58 L68 I92 | F22-E29 CarbonylContact O-C 3.52Å; F22-E29 WeakPolarHBondContact O-CA 3.37Å; F22-Q30 HydrophobicContact CD1-CB 4.1Å; F22-Q30 HydrophobicContact CD2-CB 3.97Å; F22-Q30 HydrophobicContact CD2-CG 4.27Å; F22-Q30 HydrophobicContact CE1-CB 3.71Å; F22-Q30 HydrophobicContact CE2-CB 3.59Å; F22-Q30 HydrophobicContact CE2-CG 3.76Å; F22-Q30 HydrophobicContact CG-CB 4.24Å; F22-Q30 HydrophobicContact CZ-CB 3.45Å; F22-Q30 VanDerWaalsContact CZ-CB 3.45Å; F22-Q30 HydrophobicContact CZ-CG 4.03Å; F22-Q30 PolarHBondContact N-O 3.09Å; F22-Q30 PolarHBondContact O-N 3.39Å; F22-F50 HydrophobicContact CE1-CE2 4.29Å; F22-F50 HydrophobicContact CE2-CE2 4.4Å; F22-F50 AromaticContact CZ-CE2 3.89Å; F22-F50 HydrophobicContact CZ-CE2 3.89Å; F22-F50 HydrophobicContact CZ-CZ 4.47Å; F22-I55 HydrophobicContact CE2-CD1 4.15Å; F22-I55 HydrophobicContact CE2-CG1 4.29Å; F22-I55 HydrophobicContact CZ-CD1 4.04Å; F22-I55 HydrophobicContact CZ-CG1 4.41Å; F22-W58 AromaticContact CD2-CH2 3.48Å; F22-W58 HydrophobicContact CD2-CH2 3.48Å; F22-W58 VanDerWaalsContact CD2-CH2 3.48Å; F22-W58 HydrophobicContact CD2-CZ2 4.39Å; F22-W58 HydrophobicContact CD2-CZ3 4.1Å; F22-W58 AromaticContact CE2-CH2 3.49Å; F22-W58 HydrophobicContact CE2-CH2 3.49Å; F22-W58 VanDerWaalsContact CE2-CH2 3.49Å; F22-W58 HydrophobicContact CE2-CZ2 4.48Å; F22-W58 AromaticContact CE2-CZ3 3.67Å; F22-W58 HydrophobicContact CE2-CZ3 3.67Å; F22-L68 HydrophobicContact CB-CD2 4.16Å; F22-L68 HydrophobicContact CD1-CD2 3.55Å; F22-L68 HydrophobicContact CE1-CD2 4.18Å; F22-L68 HydrophobicContact CG-CD2 4.04Å; F22-I92 HydrophobicContact CB-CD1 3.93Å; F22-I92 HydrophobicContact CD2-CD1 4.14Å; F22-I92 HydrophobicContact CG-CD1 3.97Å |
| 23 | T | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 3% | 0.025 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131.2 | 179.9 | -67 | 0 | 0 | 0 | 0 | 110.4 | K28 P105 Q237 Y369 | T23-K28 WeakPolarHBondContact CA-O 3.5Å; T23-P105 WeakPolarHBondContact O-CD 3.47Å; T23-Q237 PolarHBondContact OG1-NE2 3.07Å; T23-Y369 HydrophobicContact CG2-CD2 4.03Å; T23-Y369 HydrophobicContact CG2-CE2 3.89Å |
| 24 | D | 98.5 | Very high | 98.6 | Very high | 19 Ų | 19 | 44.7 Ų | 44.7 | 10% | 0.102 | 22% | 0.216 | C | C | . | . | trans | -74.8 | 171.7 | 176.8 | 70.1 | 17.5 | 0 | 0 | 0 | 112.4 | K26 G27 K28 Q30 I55 P105 N367 | D24-K26 PolarHBondContact O-N 2.93Å; D24-K26 VanDerWaalsContact O-N 3.14Å; D24-K26 WeakPolarHBondContact OD1-CA 3.43Å; D24-K26 WeakPolarHBondContact OD1-CB 3.42Å; D24-K26 PolarHBondContact OD1-N 2.79Å; D24-G27 PolarHBondContact O-N 3.12Å; D24-G27 PolarHBondContact OD1-N 2.8Å; D24-K28 PolarHBondContact N-O 3.43Å; D24-K28 VanDerWaalsContact N-O 3.07Å; D24-K28 PolarHBondContact OD1-N 3.22Å; D24-Q30 HydrophobicContact CB-CG 4.18Å; D24-Q30 PolarHBondContact OD2-NE2 3.05Å; D24-I55 HydrophobicContact CB-CG2 3.69Å; D24-P105 WeakPolarHBondContact O-CG 3.04Å; D24-N367 PolarHBondContact O-ND2 2.89Å | ||
| 25 | T | 98.5 | Very high | 98.6 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 4% | 0.037 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -33.3 | 178.2 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | G27 W58 N367 Y443 L446 | T25-G27 VanDerWaalsContact C-N 3.27Å; T25-G27 PolarHBondContact O-N 3.06Å; T25-W58 PolarHBondContact OG1-NE1 2.84Å; T25-N367 PolarHBondContact O-ND2 2.9Å; T25-Y443 HydrophobicContact CG2-CD2 3.66Å; T25-Y443 HydrophobicContact CG2-CE2 4.45Å; T25-Y443 HydrophobicContact CG2-CG 4.47Å; T25-L446 HydrophobicContact CG2-CD1 3.86Å |
| 26 | K | 98.6 | Very high | 98.6 | Very high | 67 Ų | 67 | 40.5 Ų | 40.5 | 29% | 0.291 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -19.8 | -179.7 | -66.5 | -171.1 | 178.2 | -171.7 | 0 | 113.3 | D24 L446 R447 E450 | D24-K26 PolarHBondContact O-N 2.93Å; D24-K26 VanDerWaalsContact O-N 3.14Å; D24-K26 WeakPolarHBondContact OD1-CA 3.43Å; D24-K26 WeakPolarHBondContact OD1-CB 3.42Å; D24-K26 PolarHBondContact OD1-N 2.79Å; K26-L446 HydrophobicContact CG-CD1 4.46Å; K26-R447 VanDerWaalsContact CA-NH2 3.28Å; K26-R447 PolarHBondContact O-NH2 3.46Å; K26-E450 WeakPolarHBondContact CD-OE1 3.38Å; K26-E450 VanDerWaalsContact CE-OE1 3.27Å; K26-E450 WeakPolarHBondContact CE-OE1 3.45Å; K26-E450 IonicContact NZ-OE1 3.2Å; K26-E450 PolarHBondContact NZ-OE1 2.82Å |
| 27 | G | 98.4 | Very high | 98.5 | Very high | 9 Ų | 9 | 42.4 Ų | 42.4 | 9% | 0.093 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 103.2 | 6.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D24 T25 Q237 N367 | D24-G27 PolarHBondContact O-N 3.12Å; D24-G27 PolarHBondContact OD1-N 2.8Å; T25-G27 VanDerWaalsContact C-N 3.27Å; T25-G27 PolarHBondContact O-N 3.06Å; G27-Q237 PolarHBondContact O-NE2 2.71Å; G27-N367 WeakPolarHBondContact CA-ND2 3.18Å; G27-N367 PolarHBondContact N-ND2 2.86Å |
| 28 | K | 98.6 | Very high | 98.4 | Very high | 129 Ų | 129 | 43.2 Ų | 43.2 | 56% | 0.561 | 22% | 0.218 | S | C | * | . | trans | -82.7 | 128.6 | 177.4 | -173.5 | 64.4 | 178.2 | 178.3 | 0 | 109.4 | T23 D24 Q30 | T23-K28 WeakPolarHBondContact CA-O 3.5Å; D24-K28 PolarHBondContact N-O 3.43Å; D24-K28 VanDerWaalsContact N-O 3.07Å; D24-K28 PolarHBondContact OD1-N 3.22Å; K28-Q30 PolarHBondContact O-N 3.21Å | ||
| 29 | E | 98.6 | Very high | 98.3 | Very high | 33 Ų | 33 | 43.9 Ų | 43.9 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 125.8 | 171.6 | -161.1 | 170.6 | -126.9 | 0 | 0 | 109 | R21 F22 R89 Q237 | R21-E29 HydrophobicContact CB-CG 4.17Å; R21-E29 IonicContact NH1-OE2 3.71Å; R21-E29 PolarHBondContact NH1-OE2 3.23Å; F22-E29 CarbonylContact O-C 3.52Å; F22-E29 WeakPolarHBondContact O-CA 3.37Å; E29-R89 IonicContact OE1-CZ 2.66Å; E29-R89 IonicContact OE1-NE 3.77Å; E29-R89 IonicContact OE1-NH2 2.79Å; E29-R89 PolarHBondContact OE1-NH2 2.86Å; E29-R89 VanDerWaalsContact OE1-NH2 3.14Å; E29-Q237 WeakPolarHBondContact OE1-CB 3.14Å |
| 30 | Q | 98.6 | Very high | 98 | Very high | 58 Ų | 58 | 47 Ų | 47 | 27% | 0.271 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 155.6 | 177.4 | -55.1 | -61.2 | -27.1 | 0 | 0 | 108.4 | R21 F22 D24 K28 | R21-Q30 VanDerWaalsContact CA-O 3.27Å; R21-Q30 WeakPolarHBondContact CA-O 3.42Å; F22-Q30 HydrophobicContact CD1-CB 4.1Å; F22-Q30 HydrophobicContact CD2-CB 3.97Å; F22-Q30 HydrophobicContact CD2-CG 4.27Å; F22-Q30 HydrophobicContact CE1-CB 3.71Å; F22-Q30 HydrophobicContact CE2-CB 3.59Å; F22-Q30 HydrophobicContact CE2-CG 3.76Å; F22-Q30 HydrophobicContact CG-CB 4.24Å; F22-Q30 HydrophobicContact CZ-CB 3.45Å; F22-Q30 VanDerWaalsContact CZ-CB 3.45Å; F22-Q30 HydrophobicContact CZ-CG 4.03Å; F22-Q30 PolarHBondContact N-O 3.09Å; F22-Q30 PolarHBondContact O-N 3.39Å; D24-Q30 HydrophobicContact CB-CG 4.18Å; D24-Q30 PolarHBondContact OD2-NE2 3.05Å; K28-Q30 PolarHBondContact O-N 3.21Å |
| 31 | H | 98.7 | Very high | 97.6 | Very high | 107 Ų | 107 | 50.2 Ų | 50.2 | 50% | 0.495 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 155.5 | 178.9 | 82.2 | 126.2 | 0 | 0 | 0 | 113.5 | D19 L20 R21 | D19-H31 IonicContact OD1-CE1 2.64Å; D19-H31 IonicContact OD1-CG 2.81Å; D19-H31 IonicContact OD1-ND1 3.93Å; D19-H31 PolarHBondContact OD1-ND1 3.48Å; D19-H31 IonicContact OD2-CG 3.97Å; D19-H31 IonicContact OD2-ND1 3.93Å; D19-H31 PolarHBondContact OD2-ND1 3.43Å; L20-H31 CarbonylContact O-C 3.5Å; L20-H31 VanDerWaalsContact O-CA 3.23Å; L20-H31 WeakPolarHBondContact O-CA 3.2Å; R21-H31 HydrophobicContact CG-CB 3.87Å |
| 32 | V | 98.3 | Very high | 97.3 | Very high | 65 Ų | 65 | 55.2 Ų | 55.2 | 39% | 0.394 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 134.5 | 167.1 | 61.4 | 0 | 0 | 0 | 0 | 109.6 | L20 L68 | L20-V32 HydrophobicContact CB-CG1 3.91Å; L20-V32 WeakPolarHBondContact CB-O 3.49Å; L20-V32 HydrophobicContact CD1-CG1 4.3Å; L20-V32 PolarHBondContact N-O 2.75Å; L20-V32 PolarHBondContact O-N 3.01Å; V32-L68 HydrophobicContact CG1-CD1 3.7Å |
| 33 | T | 98.7 | Very high | 97.1 | Very high | 64 Ų | 64 | 54.7 Ų | 54.7 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 134.2 | -173.6 | -45.6 | 0 | 0 | 0 | 0 | 111.4 | F17 V18 D19 | F17-T33 HydrophobicContact CB-CG2 3.65Å; F17-T33 HydrophobicContact CD1-CG2 4.16Å; F17-T33 HydrophobicContact CG-CG2 4.13Å; V18-T33 WeakPolarHBondContact O-CA 3.09Å; D19-T33 PolarHBondContact OD1-OG1 3.37Å |
| 34 | I | 98.5 | Very high | 97 | Very high | 25 Ų | 25 | 56 Ų | 56 | 13% | 0.128 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 150.5 | 172.5 | 63.1 | 174.8 | 0 | 0 | 0 | 110.6 | F17 V18 L20 Q38 V39 F43 | F17-I34 CarbonylContact C-O 3.49Å; F17-I34 WeakPolarHBondContact CA-O 3.39Å; V18-I34 HydrophobicContact CB-CG1 3.98Å; V18-I34 PolarHBondContact N-O 3.3Å; V18-I34 PolarHBondContact O-N 3.39Å; L20-I34 HydrophobicContact CD1-CD1 4.26Å; L20-I34 HydrophobicContact CD1-CG2 4.45Å; I34-Q38 HydrophobicContact CB-CB 4.36Å; I34-Q38 HydrophobicContact CD1-CB 4.1Å; I34-V39 HydrophobicContact CD1-CG2 4.12Å; I34-F43 HydrophobicContact CD1-CD2 4.43Å; I34-F43 HydrophobicContact CD1-CE2 4Å; I34-F43 HydrophobicContact CD1-CZ 4.49Å |
| 35 | P | 98.4 | Very high | 96.7 | Very high | 49 Ų | 49 | 61.7 Ų | 61.7 | 32% | 0.318 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 143.3 | 169.4 | -24 | 34.7 | 0 | 0 | 0 | 111.6 | H37 Q38 | P35-H37 VanDerWaalsContact CB-CD2 3.42Å; P35-H37 WeakPolarHBondContact CB-CD2 3.35Å; P35-H37 WeakPolarHBondContact CB-NE2 3.31Å; P35-H37 PolarHBondContact O-N 2.63Å; P35-H37 VanDerWaalsContact O-N 3.07Å; P35-Q38 HydrophobicContact CB-CG 4.42Å; P35-Q38 HydrophobicContact CG-CG 4.49Å; P35-Q38 WeakPolarHBondContact O-CB 3.37Å; P35-Q38 PolarHBondContact O-N 2.64Å |
| 36 | A | 98.1 | Very high | 96.5 | Very high | 16 Ų | 16 | 67.4 Ų | 67.4 | 13% | 0.132 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -56.5 | -30.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L10 V15 K16 Q38 V39 | L10-A36 HydrophobicContact CD2-CB 4.42Å; V15-A36 HydrophobicContact CG1-CB 4.33Å; V15-A36 WeakPolarHBondContact O-CB 3.45Å; K16-A36 WeakPolarHBondContact O-CB 3.47Å; K16-A36 PolarHBondContact O-N 2.79Å; A36-Q38 PolarHBondContact O-N 2.79Å; A36-Q38 VanDerWaalsContact O-N 3.16Å; A36-V39 WeakPolarHBondContact O-CB 3.45Å; A36-V39 PolarHBondContact O-N 2.99Å; A36-V39 VanDerWaalsContact O-N 3.09Å |
| 37 | H | 96.5 | Very high | 96.4 | Very high | 148 Ų | 148 | 64.5 Ų | 64.5 | 69% | 0.685 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -68.8 | -7.4 | 176.8 | 71.1 | 72.5 | 0 | 0 | 0 | 114.5 | P35 V39 | P35-H37 VanDerWaalsContact CB-CD2 3.42Å; P35-H37 WeakPolarHBondContact CB-CD2 3.35Å; P35-H37 WeakPolarHBondContact CB-NE2 3.31Å; P35-H37 PolarHBondContact O-N 2.63Å; P35-H37 VanDerWaalsContact O-N 3.07Å; H37-V39 VanDerWaalsContact C-N 3.34Å |
| 38 | Q | 97.4 | Very high | 96.3 | Very high | 89 Ų | 89 | 66.9 Ų | 66.9 | 42% | 0.416 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -86.3 | -5.9 | 172.4 | -66.2 | -65.7 | -16.3 | 0 | 0 | 112.7 | I34 P35 A36 N40 | I34-Q38 HydrophobicContact CB-CB 4.36Å; I34-Q38 HydrophobicContact CD1-CB 4.1Å; P35-Q38 HydrophobicContact CB-CG 4.42Å; P35-Q38 HydrophobicContact CG-CG 4.49Å; P35-Q38 WeakPolarHBondContact O-CB 3.37Å; P35-Q38 PolarHBondContact O-N 2.64Å; A36-Q38 PolarHBondContact O-N 2.79Å; A36-Q38 VanDerWaalsContact O-N 3.16Å; Q38-N40 PolarHBondContact O-N 3.23Å |
| 39 | V | 96.7 | Very high | 96.2 | Very high | 13 Ų | 13 | 66 Ų | 66 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | trans | -88 | 106.1 | 175.9 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | L7 L10 V18 I34 A36 H37 F43 F44 | L7-V39 HydrophobicContact CD2-CG1 4.25Å; L10-V39 HydrophobicContact CD1-CB 3.92Å; L10-V39 HydrophobicContact CD1-CG1 3.96Å; L10-V39 HydrophobicContact CD1-CG2 4.37Å; V18-V39 HydrophobicContact CB-CG2 4.18Å; V18-V39 HydrophobicContact CG1-CG2 4.46Å; V18-V39 HydrophobicContact CG2-CG2 3.71Å; I34-V39 HydrophobicContact CD1-CG2 4.12Å; A36-V39 WeakPolarHBondContact O-CB 3.45Å; A36-V39 PolarHBondContact O-N 2.99Å; A36-V39 VanDerWaalsContact O-N 3.09Å; H37-V39 VanDerWaalsContact C-N 3.34Å; V39-F43 HydrophobicContact CB-CD1 4.42Å; V39-F43 HydrophobicContact CG1-CD1 3.75Å; V39-F43 HydrophobicContact CG1-CE1 4.12Å; V39-F43 HydrophobicContact CG1-CG 4.5Å; V39-F43 HydrophobicContact CG2-CD1 4.36Å; V39-F43 HydrophobicContact CG2-CE1 4.29Å; V39-F44 HydrophobicContact CG1-CE2 3.67Å; V39-F44 HydrophobicContact CG1-CZ 4Å | ||
| 40 | N | 92.1 | Very high | 96 | Very high | 66 Ų | 66 | 66.2 Ų | 66.2 | 35% | 0.353 | 34% | 0.341 | S | S | . | . | trans | -125.7 | -173.9 | 177.6 | 63.3 | 7.4 | 0 | 0 | 0 | 110.3 | Q38 E42 F43 | Q38-N40 PolarHBondContact O-N 3.23Å; N40-E42 PolarHBondContact OD1-N 3.26Å; N40-F43 WeakPolarHBondContact O-CB 3.13Å; N40-F43 PolarHBondContact O-N 3.4Å; N40-F43 WeakPolarHBondContact OD1-CB 3.2Å; N40-F43 PolarHBondContact OD1-N 2.96Å | ||
| 41 | A | 89.8 | Confident | 95.8 | Very high | 69 Ų | 69 | 67 Ų | 67 | 57% | 0.57 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.5 | -45.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | F43 F44 | A41-F43 PolarHBondContact O-N 3.25Å; A41-F44 PolarHBondContact O-N 3.05Å; A41-F44 VanDerWaalsContact O-N 3.09Å |
| 42 | E | 92.6 | Very high | 95.4 | Very high | 112 Ų | 112 | 62 Ų | 62 | 52% | 0.523 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.9 | -32.9 | 179 | -63.9 | 168.5 | 179.9 | 0 | 0 | 112.4 | N40 F44 E45 E46 | N40-E42 PolarHBondContact OD1-N 3.26Å; E42-F44 PolarHBondContact O-N 3.36Å; E42-E45 PolarHBondContact O-N 2.58Å; E42-E46 PolarHBondContact O-N 2.89Å |
| 43 | F | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.3 | -35.8 | 176.7 | 168.1 | -102.5 | 0 | 0 | 0 | 113.2 | L20 I34 V39 N40 A41 G47 K48 P70 I88 | L20-F43 HydrophobicContact CD1-CE2 4.11Å; L20-F43 HydrophobicContact CD2-CE2 3.93Å; L20-F43 HydrophobicContact CD2-CZ 3.54Å; I34-F43 HydrophobicContact CD1-CD2 4.43Å; I34-F43 HydrophobicContact CD1-CE2 4Å; I34-F43 HydrophobicContact CD1-CZ 4.49Å; V39-F43 HydrophobicContact CB-CD1 4.42Å; V39-F43 HydrophobicContact CG1-CD1 3.75Å; V39-F43 HydrophobicContact CG1-CE1 4.12Å; V39-F43 HydrophobicContact CG1-CG 4.5Å; V39-F43 HydrophobicContact CG2-CD1 4.36Å; V39-F43 HydrophobicContact CG2-CE1 4.29Å; N40-F43 WeakPolarHBondContact O-CB 3.13Å; N40-F43 PolarHBondContact O-N 3.4Å; N40-F43 WeakPolarHBondContact OD1-CB 3.2Å; N40-F43 PolarHBondContact OD1-N 2.96Å; A41-F43 PolarHBondContact O-N 3.25Å; F43-G47 WeakPolarHBondContact O-CA 3.45Å; F43-G47 PolarHBondContact O-N 3.22Å; F43-G47 VanDerWaalsContact O-N 3.12Å; F43-K48 HydrophobicContact CD2-CD 4.45Å; F43-K48 HydrophobicContact CD2-CG 3.78Å; F43-K48 HydrophobicContact CE2-CG 3.88Å; F43-P70 HydrophobicContact CD1-CB 4.46Å; F43-P70 HydrophobicContact CD1-CG 3.86Å; F43-P70 HydrophobicContact CD2-CG 4.33Å; F43-P70 HydrophobicContact CE1-CB 3.58Å; F43-P70 HydrophobicContact CE1-CG 3.45Å; F43-P70 VanDerWaalsContact CE1-CG 3.45Å; F43-P70 HydrophobicContact CE2-CB 4.28Å; F43-P70 HydrophobicContact CE2-CG 3.94Å; F43-P70 HydrophobicContact CG-CG 4.3Å; F43-P70 HydrophobicContact CZ-CB 3.46Å; F43-P70 VanDerWaalsContact CZ-CB 3.46Å; F43-P70 HydrophobicContact CZ-CG 3.49Å; F43-P70 VanDerWaalsContact CZ-CG 3.49Å; F43-P70 WeakPolarHBondContact O-CD 3.38Å; F43-P70 WeakPolarHBondContact O-CG 3.33Å; F43-I88 HydrophobicContact CE1-CD1 4.23Å |
| 44 | F | 95.3 | Very high | 94.5 | Very high | 32 Ų | 32 | 62.3 Ų | 62.3 | 14% | 0.14 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -86.9 | -12.2 | 178.5 | -67.6 | -76.5 | 0 | 0 | 0 | 113.9 | A3 V6 V39 A41 E42 P70 A72 I88 | A3-F44 HydrophobicContact CB-CB 4.13Å; A3-F44 HydrophobicContact CB-CD1 4.2Å; A3-F44 HydrophobicContact CB-CD2 3.64Å; A3-F44 HydrophobicContact CB-CE2 4.05Å; A3-F44 HydrophobicContact CB-CG 3.72Å; A3-F44 HydrophobicContact CB-CZ 4.49Å; V6-F44 HydrophobicContact CB-CE1 4.46Å; V6-F44 HydrophobicContact CB-CZ 3.78Å; V6-F44 HydrophobicContact CG1-CZ 3.71Å; V6-F44 HydrophobicContact CG2-CE1 4.29Å; V6-F44 HydrophobicContact CG2-CZ 4.11Å; V39-F44 HydrophobicContact CG1-CE2 3.67Å; V39-F44 HydrophobicContact CG1-CZ 4Å; A41-F44 PolarHBondContact O-N 3.05Å; A41-F44 VanDerWaalsContact O-N 3.09Å; E42-F44 PolarHBondContact O-N 3.36Å; F44-P70 HydrophobicContact CD1-CB 4.29Å; F44-P70 HydrophobicContact CD1-CG 3.89Å; F44-P70 HydrophobicContact CE1-CB 4.33Å; F44-P70 HydrophobicContact CE1-CG 4.35Å; F44-A72 HydrophobicContact CD1-CB 4.07Å; F44-A72 HydrophobicContact CE1-CB 3.85Å; F44-I88 HydrophobicContact CE1-CD1 4.5Å |
| 45 | E | 93.1 | Very high | 94.3 | Very high | 139 Ų | 139 | 62.4 Ų | 62.4 | 65% | 0.65 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -99.8 | -39.4 | -179.3 | -65.9 | 178.5 | -177.8 | 0 | 0 | 111.8 | E42 M69 | E42-E45 PolarHBondContact O-N 2.58Å; E45-M69 WeakPolarHBondContact O-CE 3.26Å |
| 46 | E | 94 | Very high | 93.9 | Very high | 126 Ų | 126 | 61.9 Ų | 61.9 | 59% | 0.589 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -112.9 | -17 | -174.2 | -57 | -174.4 | 169.3 | 0 | 0 | 113.1 | E42 V67 | E42-E46 PolarHBondContact O-N 2.89Å; E46-V67 WeakPolarHBondContact O-CG1 3.36Å |
| 47 | G | 96 | Very high | 93.5 | Very high | 5 Ų | 5 | 62.2 Ų | 62.2 | 5% | 0.052 | 34% | 0.34 | C | S | . | . | trans | 75.9 | -148.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | F43 L68 | F43-G47 WeakPolarHBondContact O-CA 3.45Å; F43-G47 PolarHBondContact O-N 3.22Å; F43-G47 VanDerWaalsContact O-N 3.12Å; G47-L68 CarbonylContact C-O 3.57Å; G47-L68 WeakPolarHBondContact CA-O 3.42Å | ||
| 48 | K | 96.5 | Very high | 93.4 | Very high | 59 Ų | 59 | 55.6 Ų | 55.6 | 26% | 0.257 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 137.1 | 173.4 | -72.1 | -72.7 | 163.2 | -82.2 | 0 | 110.8 | L20 F43 L68 | L20-K48 HydrophobicContact CD1-CB 4.48Å; L20-K48 HydrophobicContact CD1-CG 4.38Å; F43-K48 HydrophobicContact CD2-CD 4.45Å; F43-K48 HydrophobicContact CD2-CG 3.78Å; F43-K48 HydrophobicContact CE2-CG 3.88Å; K48-L68 PolarHBondContact N-O 3.05Å; K48-L68 PolarHBondContact O-N 3.43Å |
| 49 | M | 95.9 | Very high | 92.8 | Very high | 112 Ų | 112 | 53 Ų | 53 | 55% | 0.552 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 143.5 | 175.3 | -61.5 | -59.6 | -62.7 | 0 | 0 | 111.1 | D65 M66 V67 P95 | M49-D65 HydrophobicContact CE-CB 3.77Å; M49-M66 WeakPolarHBondContact CA-O 3.49Å; M49-V67 HydrophobicContact SD-CG2 3.75Å; M49-P95 HydrophobicContact CE-CB 4.33Å |
| 50 | F | 95.2 | Very high | 92.2 | Very high | 37 Ų | 37 | 54.8 Ų | 54.8 | 16% | 0.162 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 163.7 | 170 | 79.9 | -65 | 0 | 0 | 0 | 111.8 | F22 W58 M66 L68 I92 | F22-F50 HydrophobicContact CE1-CE2 4.29Å; F22-F50 HydrophobicContact CE2-CE2 4.4Å; F22-F50 AromaticContact CZ-CE2 3.89Å; F22-F50 HydrophobicContact CZ-CE2 3.89Å; F22-F50 HydrophobicContact CZ-CZ 4.47Å; F50-W58 HydrophobicContact CE2-CZ3 4.06Å; F50-W58 AromaticContact CZ-CZ3 3.8Å; F50-W58 HydrophobicContact CZ-CZ3 3.8Å; F50-M66 HydrophobicContact CD1-CB 4.2Å; F50-M66 WeakPolarHBondContact CD1-O 3.37Å; F50-M66 HydrophobicContact CE1-CB 3.7Å; F50-M66 HydrophobicContact CE1-CE 3.61Å; F50-M66 HydrophobicContact CE2-CE 3.64Å; F50-M66 HydrophobicContact CZ-CB 4.33Å; F50-M66 HydrophobicContact CZ-CE 3.13Å; F50-M66 PolarHBondContact N-O 3.13Å; F50-M66 PolarHBondContact O-N 3.28Å; F50-L68 HydrophobicContact CB-CD1 4.31Å; F50-L68 HydrophobicContact CD1-CB 4.45Å; F50-L68 HydrophobicContact CD1-CD1 3.95Å; F50-L68 HydrophobicContact CD1-CG 3.63Å; F50-L68 HydrophobicContact CE1-CD1 4.33Å; F50-L68 HydrophobicContact CE1-CD2 4.19Å; F50-L68 HydrophobicContact CE1-CG 3.63Å; F50-L68 HydrophobicContact CG-CD1 4.02Å; F50-L68 HydrophobicContact CG-CG 4.2Å; F50-L68 HydrophobicContact CZ-CD2 4.32Å; F50-L68 HydrophobicContact CZ-CG 4.17Å; F50-I92 HydrophobicContact CE1-CD1 3.96Å; F50-I92 HydrophobicContact CE1-CG2 4.15Å; F50-I92 HydrophobicContact CZ-CD1 3.67Å; F50-I92 HydrophobicContact CZ-CG1 4.37Å; F50-I92 HydrophobicContact CZ-CG2 4.2Å |
| 51 | D | 93.6 | Very high | 91.6 | Very high | 75 Ų | 75 | 58.2 Ų | 58.2 | 40% | 0.401 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 112.4 | 177.3 | 176 | 7.3 | 0 | 0 | 0 | 111.1 | S53 S64 | D51-S53 VanDerWaalsContact CG-OG 3.31Å; D51-S53 VanDerWaalsContact OD1-CB 3.23Å; D51-S53 WeakPolarHBondContact OD1-CB 3.2Å; D51-S53 PolarHBondContact OD1-N 3.09Å; D51-S53 PolarHBondContact OD1-OG 3.18Å; D51-S53 PolarHBondContact OD2-OG 3.46Å; D51-S64 VanDerWaalsContact OD1-CB 3.29Å; D51-S64 WeakPolarHBondContact OD1-CB 3.41Å |
| 52 | G | 90.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -80.1 | -14.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116 | S54 I55 S64 | G52-S54 PolarHBondContact O-N 3.48Å; G52-I55 PolarHBondContact O-N 3.27Å; G52-I55 VanDerWaalsContact O-N 3.07Å; G52-S64 PolarHBondContact N-O 3.39Å | ||
| 53 | S | 89.7 | Confident | 90.8 | Very high | 37 Ų | 37 | 63 Ų | 63 | 26% | 0.259 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -18.5 | -173.7 | 72.1 | 0 | 0 | 0 | 0 | 113.6 | D51 I55 K59 | D51-S53 VanDerWaalsContact CG-OG 3.31Å; D51-S53 VanDerWaalsContact OD1-CB 3.23Å; D51-S53 WeakPolarHBondContact OD1-CB 3.2Å; D51-S53 PolarHBondContact OD1-N 3.09Å; D51-S53 PolarHBondContact OD1-OG 3.18Å; D51-S53 PolarHBondContact OD2-OG 3.46Å; S53-I55 VanDerWaalsContact C-N 3.32Å; S53-K59 WeakPolarHBondContact CA-O 3.42Å |
| 54 | S | 89.4 | Confident | 90.3 | Very high | 100 Ų | 100 | 64.4 Ų | 64.4 | 70% | 0.699 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -4.2 | 175.3 | -64.5 | 0 | 0 | 0 | 0 | 113.7 | G52 | G52-S54 PolarHBondContact O-N 3.48Š|
| 55 | I | 93.2 | Very high | 90.1 | Very high | 26 Ų | 26 | 67.2 Ų | 67.2 | 13% | 0.133 | 38% | 0.376 | C | S | . | . | S | Bend | trans | -99 | 125.5 | 179.2 | -52.2 | -59.6 | 0 | 0 | 0 | 109.6 | F22 D24 G52 S53 G57 W58 | F22-I55 HydrophobicContact CE2-CD1 4.15Å; F22-I55 HydrophobicContact CE2-CG1 4.29Å; F22-I55 HydrophobicContact CZ-CD1 4.04Å; F22-I55 HydrophobicContact CZ-CG1 4.41Å; D24-I55 HydrophobicContact CB-CG2 3.69Å; G52-I55 PolarHBondContact O-N 3.27Å; G52-I55 VanDerWaalsContact O-N 3.07Å; S53-I55 VanDerWaalsContact C-N 3.32Å; I55-G57 PolarHBondContact O-N 3.22Å; I55-W58 HydrophobicContact CB-CB 4.14Å; I55-W58 HydrophobicContact CB-CD2 3.68Å; I55-W58 HydrophobicContact CB-CE3 3.45Å; I55-W58 VanDerWaalsContact CB-CE3 3.45Å; I55-W58 HydrophobicContact CB-CG 3.94Å; I55-W58 HydrophobicContact CB-CZ3 4.13Å; I55-W58 HydrophobicContact CG1-CD2 4.37Å; I55-W58 HydrophobicContact CG1-CE3 3.64Å; I55-W58 HydrophobicContact CG1-CZ3 3.9Å; I55-W58 HydrophobicContact CG2-CB 4.47Å; I55-W58 HydrophobicContact CG2-CD2 3.42Å; I55-W58 VanDerWaalsContact CG2-CD2 3.42Å; I55-W58 HydrophobicContact CG2-CE3 3.55Å; I55-W58 HydrophobicContact CG2-CG 3.78Å; I55-W58 HydrophobicContact CG2-CH2 4.34Å; I55-W58 HydrophobicContact CG2-CZ2 4.21Å; I55-W58 HydrophobicContact CG2-CZ3 4.04Å; I55-W58 WeakPolarHBondContact O-CB 3.43Å; I55-W58 PolarHBondContact O-N 3.39Å; I55-W58 VanDerWaalsContact O-N 3.13Å |
| 56 | G | 90.4 | Very high | 90.2 | Very high | 39 Ų | 39 | 60.6 Ų | 60.6 | 40% | 0.402 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 125.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | W58 L446 | G56-W58 VanDerWaalsContact C-N 3.32Å; G56-L446 WeakPolarHBondContact O-CD1 3.37Å |
| 57 | G | 89.8 | Confident | 90.4 | Very high | 22 Ų | 22 | 54.8 Ų | 54.8 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 4.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | I55 R103 | I55-G57 PolarHBondContact O-N 3.22Å; G57-R103 WeakPolarHBondContact O-CD 3.42Å; G57-R103 PolarHBondContact O-NH1 3.36Å |
| 58 | W | 93.6 | Very high | 90.5 | Very high | 10 Ų | 10 | 54.7 Ų | 54.7 | 4% | 0.038 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -92.6 | -154.4 | 178.8 | -72.2 | 13.5 | 0 | 0 | 0 | 111.9 | F22 T25 F50 I55 G56 M66 I92 Y101 R103 | F22-W58 AromaticContact CD2-CH2 3.48Å; F22-W58 HydrophobicContact CD2-CH2 3.48Å; F22-W58 VanDerWaalsContact CD2-CH2 3.48Å; F22-W58 HydrophobicContact CD2-CZ2 4.39Å; F22-W58 HydrophobicContact CD2-CZ3 4.1Å; F22-W58 AromaticContact CE2-CH2 3.49Å; F22-W58 HydrophobicContact CE2-CH2 3.49Å; F22-W58 VanDerWaalsContact CE2-CH2 3.49Å; F22-W58 HydrophobicContact CE2-CZ2 4.48Å; F22-W58 AromaticContact CE2-CZ3 3.67Å; F22-W58 HydrophobicContact CE2-CZ3 3.67Å; T25-W58 PolarHBondContact OG1-NE1 2.84Å; F50-W58 HydrophobicContact CE2-CZ3 4.06Å; F50-W58 AromaticContact CZ-CZ3 3.8Å; F50-W58 HydrophobicContact CZ-CZ3 3.8Å; I55-W58 HydrophobicContact CB-CB 4.14Å; I55-W58 HydrophobicContact CB-CD2 3.68Å; I55-W58 HydrophobicContact CB-CE3 3.45Å; I55-W58 VanDerWaalsContact CB-CE3 3.45Å; I55-W58 HydrophobicContact CB-CG 3.94Å; I55-W58 HydrophobicContact CB-CZ3 4.13Å; I55-W58 HydrophobicContact CG1-CD2 4.37Å; I55-W58 HydrophobicContact CG1-CE3 3.64Å; I55-W58 HydrophobicContact CG1-CZ3 3.9Å; I55-W58 HydrophobicContact CG2-CB 4.47Å; I55-W58 HydrophobicContact CG2-CD2 3.42Å; I55-W58 VanDerWaalsContact CG2-CD2 3.42Å; I55-W58 HydrophobicContact CG2-CE3 3.55Å; I55-W58 HydrophobicContact CG2-CG 3.78Å; I55-W58 HydrophobicContact CG2-CH2 4.34Å; I55-W58 HydrophobicContact CG2-CZ2 4.21Å; I55-W58 HydrophobicContact CG2-CZ3 4.04Å; I55-W58 WeakPolarHBondContact O-CB 3.43Å; I55-W58 PolarHBondContact O-N 3.39Å; I55-W58 VanDerWaalsContact O-N 3.13Å; G56-W58 VanDerWaalsContact C-N 3.32Å; W58-M66 HydrophobicContact CD2-CE 4.48Å; W58-M66 HydrophobicContact CE3-CE 3.38Å; W58-M66 HydrophobicContact CE3-SD 4.17Å; W58-M66 HydrophobicContact CZ3-CE 3.51Å; W58-I92 HydrophobicContact CH2-CB 4.5Å; W58-I92 HydrophobicContact CH2-CD1 4.06Å; W58-I92 HydrophobicContact CH2-CG1 3.43Å; W58-I92 VanDerWaalsContact CH2-CG1 3.43Å; W58-I92 HydrophobicContact CZ2-CG1 4.25Å; W58-I92 HydrophobicContact CZ3-CD1 4.37Å; W58-I92 HydrophobicContact CZ3-CG1 3.94Å; W58-I92 HydrophobicContact CZ3-CG2 4.49Å; W58-Y101 WeakPolarHBondContact CA-OH 3.46Å; W58-Y101 HydrophobicContact CB-CE1 4.18Å; W58-Y101 AromaticContact CD2-CE1 3.98Å; W58-Y101 HydrophobicContact CD2-CE1 3.98Å; W58-Y101 AromaticContact CG-CE1 3.87Å; W58-Y101 HydrophobicContact CG-CE1 3.87Å; W58-R103 PolarHBondContact NE1-O 3.37Å; W58-R103 PolarHBondContact O-NH1 3.2Å |
| 59 | K | 85.8 | Confident | 90.5 | Very high | 34 Ų | 34 | 53.1 Ų | 53.1 | 15% | 0.148 | 31% | 0.311 | C | S | . | . | trans | -58.4 | 147.6 | -175.5 | -70.9 | -74.8 | -162.2 | 171.4 | 0 | 111.3 | S53 E63 M66 E94 Y101 | S53-K59 WeakPolarHBondContact CA-O 3.42Å; K59-E63 WeakPolarHBondContact CB-O 3.33Å; K59-E63 HydrophobicContact CD-CB 4.08Å; K59-E63 VanDerWaalsContact CG-O 3.26Å; K59-E63 WeakPolarHBondContact CG-O 3.33Å; K59-E63 IonicContact NZ-OE2 2.69Å; K59-E63 PolarHBondContact NZ-OE2 3.19Å; K59-E63 VanDerWaalsContact NZ-OE2 3.08Å; K59-M66 HydrophobicContact CG-CG 4.27Å; K59-M66 HydrophobicContact CG-SD 3.91Å; K59-E94 WeakPolarHBondContact CE-OE1 3.46Å; K59-E94 WeakPolarHBondContact CE-OE2 3.45Å; K59-E94 IonicContact NZ-OE1 3.62Å; K59-E94 PolarHBondContact NZ-OE1 3.26Å; K59-E94 IonicContact NZ-OE2 2.69Å; K59-E94 PolarHBondContact NZ-OE2 3.24Å; K59-Y101 HydrophobicContact CD-CE2 4.26Å; K59-Y101 HydrophobicContact CG-CE2 4.32Å; K59-Y101 PolarHBondContact N-OH 2.9Å | ||
| 60 | G | 83.6 | Confident | 90.6 | Very high | 50 Ų | 50 | 48.3 Ų | 48.3 | 52% | 0.515 | 29% | 0.288 | S | S | . | . | trans | -72.9 | 167.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N62 E63 S64 | G60-N62 PolarHBondContact O-N 3.42Å; G60-E63 CarbonylContact O-C 3.54Å; G60-E63 PolarHBondContact O-N 2.88Å; G60-E63 VanDerWaalsContact O-N 3.09Å; G60-S64 PolarHBondContact O-N 3.12Å | ||
| 61 | I | 80 | Confident | 90.8 | Very high | 139 Ų | 139 | 48 Ų | 48 | 71% | 0.713 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -56.5 | -18.1 | 178.6 | 57.9 | 167.4 | 0 | 0 | 0 | 114.7 | ||
| 62 | N | 82.2 | Confident | 90.9 | Very high | 153 Ų | 153 | 45.1 Ų | 45.1 | 82% | 0.818 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -83.5 | -16.4 | -178.4 | -62.2 | -19.8 | 0 | 0 | 0 | 113.4 | G60 | G60-N62 PolarHBondContact O-N 3.42Š|
| 63 | E | 83 | Confident | 91.2 | Very high | 128 Ų | 128 | 47.7 Ų | 47.7 | 60% | 0.598 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -138.7 | 45.7 | -179.2 | -66.4 | -175.2 | -175.3 | 0 | 0 | 109.8 | K59 G60 D65 | K59-E63 WeakPolarHBondContact CB-O 3.33Å; K59-E63 HydrophobicContact CD-CB 4.08Å; K59-E63 VanDerWaalsContact CG-O 3.26Å; K59-E63 WeakPolarHBondContact CG-O 3.33Å; K59-E63 IonicContact NZ-OE2 2.69Å; K59-E63 PolarHBondContact NZ-OE2 3.19Å; K59-E63 VanDerWaalsContact NZ-OE2 3.08Å; G60-E63 CarbonylContact O-C 3.54Å; G60-E63 PolarHBondContact O-N 2.88Å; G60-E63 VanDerWaalsContact O-N 3.09Å; E63-D65 PolarHBondContact O-N 3.43Å |
| 64 | S | 85.5 | Confident | 91.6 | Very high | 29 Ų | 29 | 47 Ų | 47 | 20% | 0.203 | 29% | 0.286 | C | S | . | . | trans | -66.8 | -33.8 | -167 | 51.4 | 0 | 0 | 0 | 0 | 114.6 | D51 G52 G60 | D51-S64 VanDerWaalsContact OD1-CB 3.29Å; D51-S64 WeakPolarHBondContact OD1-CB 3.41Å; G52-S64 PolarHBondContact N-O 3.39Å; G60-S64 PolarHBondContact O-N 3.12Å | ||
| 65 | D | 91.7 | Very high | 92 | Very high | 91 Ų | 91 | 42.4 Ų | 42.4 | 49% | 0.487 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 132.9 | -170.1 | -66.7 | -32 | 0 | 0 | 0 | 112 | M49 E63 P95 | M49-D65 HydrophobicContact CE-CB 3.77Å; E63-D65 PolarHBondContact O-N 3.43Å; D65-P95 WeakPolarHBondContact O-CD 3.42Å; D65-P95 VanDerWaalsContact O-CG 3.31Å; D65-P95 WeakPolarHBondContact O-CG 3.21Å |
| 66 | M | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 170.6 | 174 | -54.6 | 178.7 | -46.8 | 0 | 0 | 110.9 | M49 F50 W58 K59 I92 Y101 | M49-M66 WeakPolarHBondContact CA-O 3.49Å; F50-M66 HydrophobicContact CD1-CB 4.2Å; F50-M66 WeakPolarHBondContact CD1-O 3.37Å; F50-M66 HydrophobicContact CE1-CB 3.7Å; F50-M66 HydrophobicContact CE1-CE 3.61Å; F50-M66 HydrophobicContact CE2-CE 3.64Å; F50-M66 HydrophobicContact CZ-CB 4.33Å; F50-M66 HydrophobicContact CZ-CE 3.13Å; F50-M66 PolarHBondContact N-O 3.13Å; F50-M66 PolarHBondContact O-N 3.28Å; W58-M66 HydrophobicContact CD2-CE 4.48Å; W58-M66 HydrophobicContact CE3-CE 3.38Å; W58-M66 HydrophobicContact CE3-SD 4.17Å; W58-M66 HydrophobicContact CZ3-CE 3.51Å; K59-M66 HydrophobicContact CG-CG 4.27Å; K59-M66 HydrophobicContact CG-SD 3.91Å; M66-I92 HydrophobicContact CB-CG2 3.93Å; M66-I92 HydrophobicContact CE-CG2 3.79Å; M66-I92 HydrophobicContact CG-CG2 4.44Å; M66-I92 HydrophobicContact SD-CG2 3.89Å; M66-Y101 HydrophobicContact SD-CD1 4.2Å; M66-Y101 HydrophobicContact SD-CE1 4.1Å |
| 67 | V | 97.4 | Very high | 92.7 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 123.8 | -178.4 | -177.8 | 0 | 0 | 0 | 0 | 110.4 | E46 M49 M69 I92 L93 P95 L98 | E46-V67 WeakPolarHBondContact O-CG1 3.36Å; M49-V67 HydrophobicContact SD-CG2 3.75Å; V67-M69 HydrophobicContact CG1-CE 4.25Å; V67-I92 WeakPolarHBondContact O-CA 3.44Å; V67-L93 HydrophobicContact CB-CB 4.19Å; V67-L93 PolarHBondContact N-O 2.85Å; V67-L93 PolarHBondContact O-N 3.16Å; V67-P95 HydrophobicContact CG2-CB 4.49Å; V67-L98 HydrophobicContact CG1-CD2 4.43Å; V67-L98 HydrophobicContact CG2-CD2 4.18Å |
| 68 | L | 97.9 | Very high | 93.1 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 108.5 | 161.3 | -79.2 | 163 | 0 | 0 | 0 | 108.8 | L20 F22 V32 G47 K48 F50 P70 C90 I92 | L20-L68 HydrophobicContact CD1-CD1 4.45Å; F22-L68 HydrophobicContact CB-CD2 4.16Å; F22-L68 HydrophobicContact CD1-CD2 3.55Å; F22-L68 HydrophobicContact CE1-CD2 4.18Å; F22-L68 HydrophobicContact CG-CD2 4.04Å; V32-L68 HydrophobicContact CG1-CD1 3.7Å; G47-L68 CarbonylContact C-O 3.57Å; G47-L68 WeakPolarHBondContact CA-O 3.42Å; K48-L68 PolarHBondContact N-O 3.05Å; K48-L68 PolarHBondContact O-N 3.43Å; F50-L68 HydrophobicContact CB-CD1 4.31Å; F50-L68 HydrophobicContact CD1-CB 4.45Å; F50-L68 HydrophobicContact CD1-CD1 3.95Å; F50-L68 HydrophobicContact CD1-CG 3.63Å; F50-L68 HydrophobicContact CE1-CD1 4.33Å; F50-L68 HydrophobicContact CE1-CD2 4.19Å; F50-L68 HydrophobicContact CE1-CG 3.63Å; F50-L68 HydrophobicContact CG-CD1 4.02Å; F50-L68 HydrophobicContact CG-CG 4.2Å; F50-L68 HydrophobicContact CZ-CD2 4.32Å; F50-L68 HydrophobicContact CZ-CG 4.17Å; L68-P70 WeakPolarHBondContact O-CD 3.15Å; L68-C90 HydrophobicContact CB-CB 4.21Å; L68-C90 HydrophobicContact CD2-CB 3.56Å; L68-I92 HydrophobicContact CD2-CD1 3.4Å; L68-I92 VanDerWaalsContact CD2-CD1 3.4Å; L68-I92 HydrophobicContact CG-CD1 4.27Å |
| 69 | M | 98.1 | Very high | 93.3 | Very high | 27 Ų | 27 | 42.9 Ų | 42.9 | 13% | 0.133 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 110.2 | 177 | -175.1 | 58.4 | 63.6 | 0 | 0 | 110.6 | E45 V67 D71 C90 D91 L93 | E45-M69 WeakPolarHBondContact O-CE 3.26Å; V67-M69 HydrophobicContact CG1-CE 4.25Å; M69-D71 PolarHBondContact O-N 3.33Å; M69-C90 CarbonylContact O-C 3.34Å; M69-C90 WeakPolarHBondContact O-CA 3.41Å; M69-D91 PolarHBondContact N-O 3.09Å; M69-D91 PolarHBondContact O-N 2.79Å; M69-L93 HydrophobicContact CB-CD1 3.5Å; M69-L93 HydrophobicContact CB-CD2 4.41Å; M69-L93 HydrophobicContact CB-CG 3.73Å; M69-L93 HydrophobicContact CE-CD1 3.65Å; M69-L93 HydrophobicContact CG-CD1 3.78Å; M69-L93 HydrophobicContact CG-CG 4.49Å |
| 70 | P | 98.2 | Very high | 94 | Very high | 10 Ų | 10 | 42.1 Ų | 42.1 | 7% | 0.065 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 126.8 | -175.9 | 29 | -36.8 | 0 | 0 | 0 | 112.6 | F43 F44 L68 A72 I88 | F43-P70 HydrophobicContact CD1-CB 4.46Å; F43-P70 HydrophobicContact CD1-CG 3.86Å; F43-P70 HydrophobicContact CD2-CG 4.33Å; F43-P70 HydrophobicContact CE1-CB 3.58Å; F43-P70 HydrophobicContact CE1-CG 3.45Å; F43-P70 VanDerWaalsContact CE1-CG 3.45Å; F43-P70 HydrophobicContact CE2-CB 4.28Å; F43-P70 HydrophobicContact CE2-CG 3.94Å; F43-P70 HydrophobicContact CG-CG 4.3Å; F43-P70 HydrophobicContact CZ-CB 3.46Å; F43-P70 VanDerWaalsContact CZ-CB 3.46Å; F43-P70 HydrophobicContact CZ-CG 3.49Å; F43-P70 VanDerWaalsContact CZ-CG 3.49Å; F43-P70 WeakPolarHBondContact O-CD 3.38Å; F43-P70 WeakPolarHBondContact O-CG 3.33Å; F44-P70 HydrophobicContact CD1-CB 4.29Å; F44-P70 HydrophobicContact CD1-CG 3.89Å; F44-P70 HydrophobicContact CE1-CB 4.33Å; F44-P70 HydrophobicContact CE1-CG 4.35Å; L68-P70 WeakPolarHBondContact O-CD 3.15Å; P70-A72 PolarHBondContact O-N 3Å; P70-I88 HydrophobicContact CB-CG2 3.74Å |
| 71 | D | 97.8 | Very high | 94.7 | Very high | 32 Ų | 32 | 43.5 Ų | 43.5 | 17% | 0.171 | 24% | 0.235 | C | C | . | . | trans | -89.4 | 96.1 | 171.9 | -173.4 | -21.4 | 0 | 0 | 0 | 109.7 | M69 S73 T74 R89 R106 K110 | M69-D71 PolarHBondContact O-N 3.33Å; D71-S73 PolarHBondContact O-N 2.92Å; D71-S73 VanDerWaalsContact OD1-CB 3.3Å; D71-S73 WeakPolarHBondContact OD1-CB 3.19Å; D71-S73 PolarHBondContact OD1-N 3.23Å; D71-S73 PolarHBondContact OD1-OG 3.3Å; D71-T74 HydrophobicContact CB-CG2 3.98Å; D71-T74 WeakPolarHBondContact O-CB 3.44Å; D71-T74 PolarHBondContact O-N 3.28Å; D71-T74 PolarHBondContact O-OG1 3.46Å; D71-R89 WeakPolarHBondContact CB-O 3.28Å; D71-R89 PolarHBondContact N-O 2.82Å; D71-R106 IonicContact OD2-CZ 2.62Å; D71-R106 IonicContact OD2-NH1 3.45Å; D71-R106 PolarHBondContact OD2-NH1 2.91Å; D71-R106 VanDerWaalsContact OD2-NH1 3.15Å; D71-R106 IonicContact OD2-NH2 2.71Å; D71-R106 PolarHBondContact OD2-NH2 3.03Å; D71-K110 IonicContact OD2-NZ 3.6Å | ||
| 72 | A | 97.1 | Very high | 95.5 | Very high | 14 Ų | 14 | 41.9 Ų | 41.9 | 12% | 0.116 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -53.7 | -22.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | M1 V6 F44 P70 T74 | M1-A72 WeakPolarHBondContact CB-O 3.41Å; V6-A72 HydrophobicContact CG2-CB 3.91Å; F44-A72 HydrophobicContact CD1-CB 4.07Å; F44-A72 HydrophobicContact CE1-CB 3.85Å; P70-A72 PolarHBondContact O-N 3Å; A72-T74 PolarHBondContact O-N 3.12Å |
| 73 | S | 96.9 | Very high | 96.3 | Very high | 53 Ų | 53 | 39.2 Ų | 39.2 | 37% | 0.371 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -72.8 | -9.7 | 178.5 | 78.8 | 0 | 0 | 0 | 0 | 114.7 | M1 D71 | M1-S73 WeakPolarHBondContact CE-O 3.48Å; D71-S73 PolarHBondContact O-N 2.92Å; D71-S73 VanDerWaalsContact OD1-CB 3.3Å; D71-S73 WeakPolarHBondContact OD1-CB 3.19Å; D71-S73 PolarHBondContact OD1-N 3.23Å; D71-S73 PolarHBondContact OD1-OG 3.3Å |
| 74 | T | 98.3 | Very high | 97 | Very high | 22 Ų | 22 | 35.1 Ų | 35.1 | 14% | 0.135 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -103.4 | 0.2 | -175.8 | 67.4 | 0 | 0 | 0 | 0 | 114 | D71 A72 V76 R89 | D71-T74 HydrophobicContact CB-CG2 3.98Å; D71-T74 WeakPolarHBondContact O-CB 3.44Å; D71-T74 PolarHBondContact O-N 3.28Å; D71-T74 PolarHBondContact O-OG1 3.46Å; A72-T74 PolarHBondContact O-N 3.12Å; T74-V76 PolarHBondContact O-N 3.01Å; T74-R89 HydrophobicContact CG2-CB 3.99Å; T74-R89 WeakPolarHBondContact OG1-CB 3.5Å; T74-R89 PolarHBondContact OG1-N 3.35Å |
| 75 | A | 98.3 | Very high | 97.7 | Very high | 5 Ų | 5 | 34 Ų | 34 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | trans | -58.2 | 125.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112 | M1 V6 M9 L86 I87 I88 | M1-A75 HydrophobicContact SD-CB 4.26Å; V6-A75 HydrophobicContact CG2-CB 3.78Å; M9-A75 HydrophobicContact SD-CB 4.12Å; A75-L86 HydrophobicContact CB-CD1 4.34Å; A75-L86 HydrophobicContact CB-CD2 4.2Å; A75-L86 HydrophobicContact CB-CG 4.46Å; A75-I87 VanDerWaalsContact CA-O 3.3Å; A75-I87 WeakPolarHBondContact CA-O 3.28Å; A75-I88 HydrophobicContact CB-CG1 4.33Å | ||
| 76 | V | 98.3 | Very high | 98 | Very high | 21 Ų | 21 | 29.6 Ų | 29.6 | 13% | 0.127 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 145.2 | -179.2 | 65.9 | 0 | 0 | 0 | 0 | 111 | T74 I87 M203 | T74-V76 PolarHBondContact O-N 3.01Å; V76-I87 HydrophobicContact CG1-CB 4.03Å; V76-I87 HydrophobicContact CG1-CD1 4.33Å; V76-I87 PolarHBondContact N-O 3.45Å; V76-I87 VanDerWaalsContact N-O 3.07Å; V76-I87 WeakPolarHBondContact O-CB 3.44Å; V76-I87 PolarHBondContact O-N 3.32Å; V76-M203 HydrophobicContact CG1-CE 4.13Å; V76-M203 HydrophobicContact CG2-CB 4.21Å; V76-M203 HydrophobicContact CG2-CG 4.4Å |
| 77 | I | 98.6 | Very high | 98.2 | Very high | 44 Ų | 44 | 30 Ų | 30 | 23% | 0.226 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 137.3 | 179.2 | -65.3 | -66.1 | 0 | 0 | 0 | 110.3 | H13 V15 L86 | H13-I77 HydrophobicContact CB-CD1 3.69Å; H13-I77 HydrophobicContact CB-CG1 4.3Å; V15-I77 HydrophobicContact CG2-CD1 3.88Å; I77-L86 HydrophobicContact CD1-CB 4.38Å; I77-L86 HydrophobicContact CD1-CD1 3.76Å; I77-L86 HydrophobicContact CG1-CD1 4.3Å |
| 78 | D | 98.8 | Very high | 98.3 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 4% | 0.043 | 18% | 0.182 | C | C | . | . | trans | -75.2 | 124.4 | 170.4 | -168.4 | -75.6 | 0 | 0 | 0 | 110.4 | R21 F80 F81 T85 I87 Y241 | R21-D78 IonicContact NH2-OD2 3.69Å; R21-D78 PolarHBondContact NH2-OD2 2.8Å; D78-F80 VanDerWaalsContact C-N 3.34Å; D78-F80 VanDerWaalsContact OD1-CA 3.31Å; D78-F80 WeakPolarHBondContact OD1-CA 3.44Å; D78-F80 WeakPolarHBondContact OD1-CB 3.34Å; D78-F80 PolarHBondContact OD1-N 2.65Å; D78-F81 HydrophobicContact CB-CB 4.49Å; D78-F81 HydrophobicContact CB-CD2 3.72Å; D78-F81 HydrophobicContact CB-CE2 4.16Å; D78-F81 HydrophobicContact CB-CG 4.18Å; D78-F81 WeakPolarHBondContact OD1-CG 3.45Å; D78-F81 PolarHBondContact OD1-N 3.22Å; D78-T85 PolarHBondContact N-O 2.88Å; D78-I87 HydrophobicContact CB-CD1 3.85Å; D78-I87 HydrophobicContact CB-CG1 4.04Å; D78-I87 WeakPolarHBondContact OD2-CD1 3.27Å; D78-Y241 PolarHBondContact OD1-OH 3.18Å; D78-Y241 VanDerWaalsContact OD2-CE1 3.22Å; D78-Y241 WeakPolarHBondContact OD2-CE1 3.21Å; D78-Y241 PolarHBondContact OD2-OH 2.95Å | ||
| 79 | P | 98.5 | Very high | 98.3 | Very high | 33 Ų | 33 | 30.2 Ų | 30.2 | 21% | 0.214 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -86.8 | -2.3 | -177.5 | 34 | -33.6 | 0 | 0 | 0 | 113.6 | V199 M203 R249 | P79-V199 HydrophobicContact CB-CG1 4.01Å; P79-V199 HydrophobicContact CG-CG1 3.43Å; P79-V199 VanDerWaalsContact CG-CG1 3.43Å; P79-M203 HydrophobicContact CG-CG 4.27Å; P79-M203 HydrophobicContact CG-SD 3.92Å; P79-R249 PolarHBondContact O-NH1 2.84Å; P79-R249 VanDerWaalsContact O-NH1 3.09Å |
| 80 | F | 98.7 | Very high | 98.4 | Very high | 19 Ų | 19 | 28.9 Ų | 28.9 | 8% | 0.083 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -110.4 | -34.1 | -171.9 | -52.5 | -66.8 | 0 | 0 | 0 | 113.9 | D78 V199 Y241 V242 N245 V246 R249 | D78-F80 VanDerWaalsContact C-N 3.34Å; D78-F80 VanDerWaalsContact OD1-CA 3.31Å; D78-F80 WeakPolarHBondContact OD1-CA 3.44Å; D78-F80 WeakPolarHBondContact OD1-CB 3.34Å; D78-F80 PolarHBondContact OD1-N 2.65Å; F80-V199 HydrophobicContact CE1-CG1 4.26Å; F80-V199 HydrophobicContact CE2-CG1 4.33Å; F80-V199 HydrophobicContact CZ-CG1 3.69Å; F80-Y241 HydrophobicContact CD2-CD1 4.22Å; F80-Y241 AromaticContact CD2-CE1 3.4Å; F80-Y241 HydrophobicContact CD2-CE1 3.4Å; F80-Y241 VanDerWaalsContact CD2-CE1 3.4Å; F80-Y241 AromaticContact CD2-CZ 3.68Å; F80-Y241 AromaticContact CE2-CD1 3.9Å; F80-Y241 HydrophobicContact CE2-CD1 3.9Å; F80-Y241 AromaticContact CE2-CE1 3.55Å; F80-Y241 HydrophobicContact CE2-CE1 3.55Å; F80-V242 HydrophobicContact CE2-CG2 4.39Å; F80-V242 HydrophobicContact CZ-CB 4.48Å; F80-V242 HydrophobicContact CZ-CG1 4.38Å; F80-V242 HydrophobicContact CZ-CG2 4.39Å; F80-N245 HydrophobicContact CD1-CB 3.79Å; F80-N245 HydrophobicContact CD2-CB 3.66Å; F80-N245 HydrophobicContact CE1-CB 3.74Å; F80-N245 HydrophobicContact CE2-CB 3.6Å; F80-N245 HydrophobicContact CG-CB 3.75Å; F80-N245 HydrophobicContact CZ-CB 3.63Å; F80-V246 HydrophobicContact CE1-CG2 3.79Å; F80-V246 HydrophobicContact CZ-CG2 3.92Å; F80-R249 VanDerWaalsContact CA-NH2 3.29Å; F80-R249 PolarHBondContact O-NH2 2.91Å |
| 81 | F | 98.5 | Very high | 98.4 | Very high | 78 Ų | 78 | 29.2 Ų | 29.2 | 34% | 0.342 | 18% | 0.178 | S | C | . | . | trans | -64.9 | 144.7 | -179.9 | -63.8 | -19.9 | 0 | 0 | 0 | 112.3 | D19 D78 T85 | D19-F81 HydrophobicContact CB-CE2 4.33Å; D78-F81 HydrophobicContact CB-CB 4.49Å; D78-F81 HydrophobicContact CB-CD2 3.72Å; D78-F81 HydrophobicContact CB-CE2 4.16Å; D78-F81 HydrophobicContact CB-CG 4.18Å; D78-F81 WeakPolarHBondContact OD1-CG 3.45Å; D78-F81 PolarHBondContact OD1-N 3.22Å; F81-T85 HydrophobicContact CD2-CG2 3.73Å; F81-T85 HydrophobicContact CE2-CG2 4.08Å | ||
| 82 | A | 98.3 | Very high | 98.4 | Very high | 105 Ų | 105 | 27.7 Ų | 27.7 | 87% | 0.868 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -71.2 | -37.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 83 | D | 98.4 | Very high | 98.4 | Very high | 97 Ų | 97 | 27.9 Ų | 27.9 | 52% | 0.519 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -96.2 | 137.1 | 175.3 | -64.4 | -64.3 | 0 | 0 | 0 | 110.3 | F17 T85 | F17-D83 HydrophobicContact CD2-CB 4Å; F17-D83 HydrophobicContact CE2-CB 3.84Å; D83-T85 PolarHBondContact O-N 3.23Å; D83-T85 PolarHBondContact O-OG1 2.97Å |
| 84 | S | 98.5 | Very high | 98.3 | Very high | 42 Ų | 42 | 27.5 Ų | 27.5 | 29% | 0.294 | 16% | 0.162 | S | C | . | . | trans | -54.2 | 115 | 179.6 | -175.9 | 0 | 0 | 0 | 0 | 110.7 | H13 K16 F17 | H13-S84 PolarHBondContact O-OG 3.13Å; K16-S84 PolarHBondContact N-O 2.78Å; F17-S84 PolarHBondContact N-O 2.68Å | ||
| 85 | T | 98.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 132.7 | -171.1 | -59.5 | 0 | 0 | 0 | 0 | 109.9 | F17 D19 D78 F81 D83 | F17-T85 HydrophobicContact CB-CG2 3.92Å; F17-T85 VanDerWaalsContact O-CA 3.29Å; F17-T85 WeakPolarHBondContact O-CA 3.42Å; D19-T85 HydrophobicContact CB-CG2 3.84Å; D78-T85 PolarHBondContact N-O 2.88Å; F81-T85 HydrophobicContact CD2-CG2 3.73Å; F81-T85 HydrophobicContact CE2-CG2 4.08Å; D83-T85 PolarHBondContact O-N 3.23Å; D83-T85 PolarHBondContact O-OG1 2.97Å |
| 86 | L | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 124.3 | 177.7 | -174.4 | 76.6 | 0 | 0 | 0 | 110.1 | V6 M9 L10 V15 F17 V18 D19 A75 I77 I88 | V6-L86 HydrophobicContact CG1-CD2 3.67Å; M9-L86 HydrophobicContact CE-CD1 3.67Å; M9-L86 HydrophobicContact SD-CD1 4.35Å; L10-L86 HydrophobicContact CD2-CB 4.23Å; L10-L86 HydrophobicContact CD2-CD2 3.78Å; L10-L86 HydrophobicContact CG-CD2 4.47Å; V15-L86 HydrophobicContact CG1-CB 3.91Å; V15-L86 HydrophobicContact CG2-CB 4.28Å; F17-L86 PolarHBondContact O-N 3.31Å; V18-L86 CarbonylContact C-O 3.57Å; V18-L86 VanDerWaalsContact CA-O 3.23Å; V18-L86 WeakPolarHBondContact CA-O 3.34Å; V18-L86 HydrophobicContact CG2-CB 4.36Å; D19-L86 PolarHBondContact N-O 2.62Å; A75-L86 HydrophobicContact CB-CD1 4.34Å; A75-L86 HydrophobicContact CB-CD2 4.2Å; A75-L86 HydrophobicContact CB-CG 4.46Å; I77-L86 HydrophobicContact CD1-CB 4.38Å; I77-L86 HydrophobicContact CD1-CD1 3.76Å; I77-L86 HydrophobicContact CG1-CD1 4.3Å; L86-I88 HydrophobicContact CD2-CD1 4.2Å; L86-I88 HydrophobicContact CD2-CG1 4.21Å; L86-I88 HydrophobicContact CG-CG1 4.42Å |
| 87 | I | 98.8 | Very high | 97.1 | Very high | 8 Ų | 8 | 35.9 Ų | 35.9 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 135.1 | 171.9 | -60.5 | 162 | 0 | 0 | 0 | 108.9 | D19 R21 A75 V76 D78 M203 | D19-I87 HydrophobicContact CB-CG1 4.36Å; D19-I87 WeakPolarHBondContact O-CA 3.38Å; R21-I87 HydrophobicContact CB-CG2 4.39Å; R21-I87 HydrophobicContact CG-CG2 3.9Å; A75-I87 VanDerWaalsContact CA-O 3.3Å; A75-I87 WeakPolarHBondContact CA-O 3.28Å; V76-I87 HydrophobicContact CG1-CB 4.03Å; V76-I87 HydrophobicContact CG1-CD1 4.33Å; V76-I87 PolarHBondContact N-O 3.45Å; V76-I87 VanDerWaalsContact N-O 3.07Å; V76-I87 WeakPolarHBondContact O-CB 3.44Å; V76-I87 PolarHBondContact O-N 3.32Å; D78-I87 HydrophobicContact CB-CD1 3.85Å; D78-I87 HydrophobicContact CB-CG1 4.04Å; D78-I87 WeakPolarHBondContact OD2-CD1 3.27Å; I87-M203 HydrophobicContact CD1-CE 3.66Å |
| 88 | I | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 122.8 | 167.1 | -56.9 | 178.6 | 0 | 0 | 0 | 108.5 | V6 V18 D19 L20 R21 F43 F44 P70 A75 L86 | V6-I88 HydrophobicContact CG1-CD1 3.87Å; V18-I88 HydrophobicContact CG1-CB 4.43Å; V18-I88 HydrophobicContact CG1-CD1 3.66Å; V18-I88 HydrophobicContact CG1-CG1 3.9Å; D19-I88 PolarHBondContact O-N 2.88Å; L20-I88 WeakPolarHBondContact CA-O 3.08Å; L20-I88 HydrophobicContact CD2-CB 4.4Å; R21-I88 PolarHBondContact N-O 3.12Å; F43-I88 HydrophobicContact CE1-CD1 4.23Å; F44-I88 HydrophobicContact CE1-CD1 4.5Å; P70-I88 HydrophobicContact CB-CG2 3.74Å; A75-I88 HydrophobicContact CB-CG1 4.33Å; L86-I88 HydrophobicContact CD2-CD1 4.2Å; L86-I88 HydrophobicContact CD2-CG1 4.21Å; L86-I88 HydrophobicContact CG-CG1 4.42Å |
| 89 | R | 98.7 | Very high | 96.7 | Very high | 11 Ų | 11 | 43.9 Ų | 43.9 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 139.5 | 174 | -171.1 | 168.7 | -71.4 | 126.3 | -6.4 | 110.3 | R21 E29 D71 T74 R106 D234 | R21-R89 CarbonylContact O-C 3.55Å; R21-R89 VanDerWaalsContact O-CA 3.28Å; R21-R89 WeakPolarHBondContact O-CA 3.43Å; E29-R89 IonicContact OE1-CZ 2.66Å; E29-R89 IonicContact OE1-NE 3.77Å; E29-R89 IonicContact OE1-NH2 2.79Å; E29-R89 PolarHBondContact OE1-NH2 2.86Å; E29-R89 VanDerWaalsContact OE1-NH2 3.14Å; D71-R89 WeakPolarHBondContact CB-O 3.28Å; D71-R89 PolarHBondContact N-O 2.82Å; T74-R89 HydrophobicContact CG2-CB 3.99Å; T74-R89 WeakPolarHBondContact OG1-CB 3.5Å; T74-R89 PolarHBondContact OG1-N 3.35Å; R89-R106 VanDerWaalsContact CD-NE 3.28Å; R89-D234 VanDerWaalsContact CD-CG 3.45Å; R89-D234 WeakPolarHBondContact CD-OD1 3.23Å; R89-D234 IonicContact CZ-OD1 4Å; R89-D234 IonicContact NE-OD1 3.13Å; R89-D234 VanDerWaalsContact NH1-CA 3.32Å; R89-D234 PolarHBondContact NH1-O 2.94Å; R89-D234 IonicContact NH1-OD1 3.61Å; R89-D234 PolarHBondContact NH1-OD1 3.31Å; R89-D234 IonicContact NH1-OD2 3.16Å; R89-D234 PolarHBondContact NH1-OD2 2.92Å; R89-D234 PolarHBondContact NH2-O 3.29Å |
| 90 | C | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 147.1 | -178.2 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | R21 L68 M69 | R21-C90 PolarHBondContact O-N 3.35Å; L68-C90 HydrophobicContact CB-CB 4.21Å; L68-C90 HydrophobicContact CD2-CB 3.56Å; M69-C90 CarbonylContact O-C 3.34Å; M69-C90 WeakPolarHBondContact O-CA 3.41Å |
| 91 | D | 98.7 | Very high | 96.5 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 9% | 0.086 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 157.8 | 157.5 | -54 | -59.8 | 0 | 0 | 0 | 109 | M69 L93 R106 K110 | M69-D91 PolarHBondContact N-O 3.09Å; M69-D91 PolarHBondContact O-N 2.79Å; D91-L93 HydrophobicContact CB-CD2 4.27Å; D91-R106 VanDerWaalsContact CG-NH1 3.3Å; D91-R106 WeakPolarHBondContact OD1-CD 3.29Å; D91-R106 WeakPolarHBondContact OD1-CG 3.38Å; D91-R106 IonicContact OD1-CZ 2.79Å; D91-R106 IonicContact OD1-NE 3.26Å; D91-R106 IonicContact OD1-NH1 3.32Å; D91-R106 PolarHBondContact OD1-NH1 3.5Å; D91-R106 IonicContact OD2-NH1 3.57Å; D91-R106 PolarHBondContact OD2-NH1 2.9Å; D91-K110 WeakPolarHBondContact OD1-CE 3.48Å; D91-K110 IonicContact OD1-NZ 2.88Å; D91-K110 PolarHBondContact OD1-NZ 2.88Å; D91-K110 IonicContact OD2-NZ 3.74Å; D91-K110 PolarHBondContact OD2-NZ 3.07Å |
| 92 | I | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 128.6 | 171.7 | -48.4 | -49.5 | 0 | 0 | 0 | 109.1 | F22 F50 W58 M66 V67 L68 Y101 D104 | F22-I92 HydrophobicContact CB-CD1 3.93Å; F22-I92 HydrophobicContact CD2-CD1 4.14Å; F22-I92 HydrophobicContact CG-CD1 3.97Å; F50-I92 HydrophobicContact CE1-CD1 3.96Å; F50-I92 HydrophobicContact CE1-CG2 4.15Å; F50-I92 HydrophobicContact CZ-CD1 3.67Å; F50-I92 HydrophobicContact CZ-CG1 4.37Å; F50-I92 HydrophobicContact CZ-CG2 4.2Å; W58-I92 HydrophobicContact CH2-CB 4.5Å; W58-I92 HydrophobicContact CH2-CD1 4.06Å; W58-I92 HydrophobicContact CH2-CG1 3.43Å; W58-I92 VanDerWaalsContact CH2-CG1 3.43Å; W58-I92 HydrophobicContact CZ2-CG1 4.25Å; W58-I92 HydrophobicContact CZ3-CD1 4.37Å; W58-I92 HydrophobicContact CZ3-CG1 3.94Å; W58-I92 HydrophobicContact CZ3-CG2 4.49Å; M66-I92 HydrophobicContact CB-CG2 3.93Å; M66-I92 HydrophobicContact CE-CG2 3.79Å; M66-I92 HydrophobicContact CG-CG2 4.44Å; M66-I92 HydrophobicContact SD-CG2 3.89Å; V67-I92 WeakPolarHBondContact O-CA 3.44Å; L68-I92 HydrophobicContact CD2-CD1 3.4Å; L68-I92 VanDerWaalsContact CD2-CD1 3.4Å; L68-I92 HydrophobicContact CG-CD1 4.27Å; I92-Y101 HydrophobicContact CG2-CD1 4.11Å; I92-Y101 HydrophobicContact CG2-CG 4.36Å; I92-Y101 WeakPolarHBondContact O-CB 3.37Å; I92-Y101 PolarHBondContact O-N 2.95Å; I92-D104 HydrophobicContact CB-CB 3.92Å; I92-D104 HydrophobicContact CG1-CB 4.19Å; I92-D104 PolarHBondContact N-OD2 3.28Å |
| 93 | L | 97.5 | Very high | 96.4 | Very high | 19 Ų | 19 | 39 Ų | 39 | 10% | 0.099 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 149.2 | 178 | -43.5 | -179.2 | 0 | 0 | 0 | 111.1 | V67 M69 D91 L98 Q99 | V67-L93 HydrophobicContact CB-CB 4.19Å; V67-L93 PolarHBondContact N-O 2.85Å; V67-L93 PolarHBondContact O-N 3.16Å; M69-L93 HydrophobicContact CB-CD1 3.5Å; M69-L93 HydrophobicContact CB-CD2 4.41Å; M69-L93 HydrophobicContact CB-CG 3.73Å; M69-L93 HydrophobicContact CE-CD1 3.65Å; M69-L93 HydrophobicContact CG-CD1 3.78Å; M69-L93 HydrophobicContact CG-CG 4.49Å; D91-L93 HydrophobicContact CB-CD2 4.27Å; L93-L98 HydrophobicContact CD1-CB 4.21Å; L93-L98 HydrophobicContact CD1-CD2 4.3Å; L93-Q99 CarbonylContact C-O 3.57Å; L93-Q99 VanDerWaalsContact CA-O 3.31Å; L93-Q99 WeakPolarHBondContact CA-O 3.42Å |
| 94 | E | 94.9 | Very high | 96.4 | Very high | 45 Ų | 45 | 34.4 Ų | 34.4 | 21% | 0.21 | 21% | 0.206 | C | C | . | . | trans | -65.3 | 132.5 | 169.5 | -74.3 | -75.4 | 179.8 | 0 | 0 | 110 | K59 L98 Q99 Y101 | K59-E94 WeakPolarHBondContact CE-OE1 3.46Å; K59-E94 WeakPolarHBondContact CE-OE2 3.45Å; K59-E94 IonicContact NZ-OE1 3.62Å; K59-E94 PolarHBondContact NZ-OE1 3.26Å; K59-E94 IonicContact NZ-OE2 2.69Å; K59-E94 PolarHBondContact NZ-OE2 3.24Å; E94-L98 WeakPolarHBondContact O-CA 3.3Å; E94-L98 PolarHBondContact O-N 3.45Å; E94-Q99 PolarHBondContact N-O 3.34Å; E94-Y101 HydrophobicContact CG-CD2 4.31Å; E94-Y101 WeakPolarHBondContact OE1-CD2 3.18Å | ||
| 95 | P | 90.3 | Very high | 96.4 | Very high | 54 Ų | 54 | 32.4 Ų | 32.4 | 35% | 0.351 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 140.7 | 177.9 | 30.4 | -36.8 | 0 | 0 | 0 | 110.4 | M49 D65 V67 T97 | M49-P95 HydrophobicContact CE-CB 4.33Å; D65-P95 WeakPolarHBondContact O-CD 3.42Å; D65-P95 VanDerWaalsContact O-CG 3.31Å; D65-P95 WeakPolarHBondContact O-CG 3.21Å; V67-P95 HydrophobicContact CG2-CB 4.49Å; P95-T97 VanDerWaalsContact C-N 3.31Å; P95-T97 PolarHBondContact O-N 2.65Å; P95-T97 VanDerWaalsContact O-N 3.12Å |
| 96 | G | 86.2 | Confident | 96.4 | Very high | 81 Ų | 81 | 32.5 Ų | 32.5 | 84% | 0.835 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85 | -52.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 97 | T | 93.3 | Very high | 96.4 | Very high | 88 Ų | 88 | 32.9 Ų | 32.9 | 54% | 0.54 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -24.2 | 178.5 | 67.7 | 0 | 0 | 0 | 0 | 112.8 | P95 Q99 | P95-T97 VanDerWaalsContact C-N 3.31Å; P95-T97 PolarHBondContact O-N 2.65Å; P95-T97 VanDerWaalsContact O-N 3.12Å; T97-Q99 PolarHBondContact O-N 3.15Å; T97-Q99 VanDerWaalsContact O-N 3.09Å; T97-Q99 PolarHBondContact OG1-N 2.85Å |
| 98 | L | 93.4 | Very high | 96.4 | Very high | 82 Ų | 82 | 32.7 Ų | 32.7 | 43% | 0.429 | 19% | 0.193 | S | C | . | . | trans | 53.3 | 23.4 | -171.9 | -59.6 | 178.1 | 0 | 0 | 0 | 113 | V67 L93 E94 | V67-L98 HydrophobicContact CG1-CD2 4.43Å; V67-L98 HydrophobicContact CG2-CD2 4.18Å; L93-L98 HydrophobicContact CD1-CB 4.21Å; L93-L98 HydrophobicContact CD1-CD2 4.3Å; E94-L98 WeakPolarHBondContact O-CA 3.3Å; E94-L98 PolarHBondContact O-N 3.45Å | ||
| 99 | Q | 94.9 | Very high | 96.4 | Very high | 138 Ų | 138 | 32.7 Ų | 32.7 | 65% | 0.645 | 19% | 0.193 | S | C | * | . | P | Polyproline II helix | trans | -80.6 | 144.5 | 170.3 | -67.2 | -174.9 | -6.2 | 0 | 0 | 109.2 | L93 E94 T97 Y101 | L93-Q99 CarbonylContact C-O 3.57Å; L93-Q99 VanDerWaalsContact CA-O 3.31Å; L93-Q99 WeakPolarHBondContact CA-O 3.42Å; E94-Q99 PolarHBondContact N-O 3.34Å; T97-Q99 PolarHBondContact O-N 3.15Å; T97-Q99 VanDerWaalsContact O-N 3.09Å; T97-Q99 PolarHBondContact OG1-N 2.85Å; Q99-Y101 PolarHBondContact O-N 3.38Å |
| 100 | G | 95.7 | Very high | 96.4 | Very high | 20 Ų | 20 | 34.9 Ų | 34.9 | 21% | 0.206 | 20% | 0.203 | C | C | . | . | B | Isolated β-bridge | trans | -54.8 | 133.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | R111 | G100-R111 PolarHBondContact O-NH2 3.01Å |
| 101 | Y | 97.5 | Very high | 96.4 | Very high | 8 Ų | 8 | 37.7 Ų | 37.7 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | P | Polyproline II helix | trans | -65.1 | 136.4 | -178.3 | 175.8 | -134.7 | 0 | 0 | 0 | 110.8 | W58 K59 M66 I92 E94 Q99 R103 D104 | W58-Y101 WeakPolarHBondContact CA-OH 3.46Å; W58-Y101 HydrophobicContact CB-CE1 4.18Å; W58-Y101 AromaticContact CD2-CE1 3.98Å; W58-Y101 HydrophobicContact CD2-CE1 3.98Å; W58-Y101 AromaticContact CG-CE1 3.87Å; W58-Y101 HydrophobicContact CG-CE1 3.87Å; K59-Y101 HydrophobicContact CD-CE2 4.26Å; K59-Y101 HydrophobicContact CG-CE2 4.32Å; K59-Y101 PolarHBondContact N-OH 2.9Å; M66-Y101 HydrophobicContact SD-CD1 4.2Å; M66-Y101 HydrophobicContact SD-CE1 4.1Å; I92-Y101 HydrophobicContact CG2-CD1 4.11Å; I92-Y101 HydrophobicContact CG2-CG 4.36Å; I92-Y101 WeakPolarHBondContact O-CB 3.37Å; I92-Y101 PolarHBondContact O-N 2.95Å; E94-Y101 HydrophobicContact CG-CD2 4.31Å; E94-Y101 WeakPolarHBondContact OE1-CD2 3.18Å; Q99-Y101 PolarHBondContact O-N 3.38Å; Y101-R103 HydrophobicContact CD1-CB 4.18Å; Y101-R103 HydrophobicContact CE1-CB 3.56Å; Y101-R103 HydrophobicContact CE1-CG 4.21Å; Y101-R103 HydrophobicContact CE2-CB 4.5Å; Y101-R103 HydrophobicContact CE2-CG 4.34Å; Y101-R103 PolarHBondContact O-N 2.86Å; Y101-R103 VanDerWaalsContact O-N 3.12Å; Y101-R103 WeakPolarHBondContact OH-CD 3.3Å; Y101-D104 HydrophobicContact CD1-CB 4.32Å; Y101-D104 PolarHBondContact O-N 2.69Å; Y101-D104 VanDerWaalsContact O-N 3.13Å |
| 102 | D | 97 | Very high | 96.5 | Very high | 54 Ų | 54 | 36.9 Ų | 36.9 | 29% | 0.289 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -21 | -174.7 | -79.8 | -18 | 0 | 0 | 0 | 114.4 | R111 T436 A439 | D102-R111 IonicContact OD1-CZ 2.81Å; D102-R111 VanDerWaalsContact OD1-CZ 3.25Å; D102-R111 IonicContact OD1-NH1 3.22Å; D102-R111 PolarHBondContact OD1-NH1 3.23Å; D102-R111 IonicContact OD1-NH2 3.9Å; D102-R111 PolarHBondContact OD1-NH2 3.46Å; D102-T436 HydrophobicContact CB-CG2 4.11Å; D102-T436 WeakPolarHBondContact OD2-CG2 3.41Å; D102-A439 WeakPolarHBondContact O-CB 3.37Å |
| 103 | R | 97.8 | Very high | 96.5 | Very high | 52 Ų | 52 | 37.8 Ų | 37.8 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 8.4 | 178.8 | -45.5 | -172.4 | -174.7 | 159.3 | 5.4 | 113.8 | G57 W58 Y101 P105 E438 A439 | G57-R103 WeakPolarHBondContact O-CD 3.42Å; G57-R103 PolarHBondContact O-NH1 3.36Å; W58-R103 PolarHBondContact NE1-O 3.37Å; W58-R103 PolarHBondContact O-NH1 3.2Å; Y101-R103 HydrophobicContact CD1-CB 4.18Å; Y101-R103 HydrophobicContact CE1-CB 3.56Å; Y101-R103 HydrophobicContact CE1-CG 4.21Å; Y101-R103 HydrophobicContact CE2-CB 4.5Å; Y101-R103 HydrophobicContact CE2-CG 4.34Å; Y101-R103 PolarHBondContact O-N 2.86Å; Y101-R103 VanDerWaalsContact O-N 3.12Å; Y101-R103 WeakPolarHBondContact OH-CD 3.3Å; R103-P105 VanDerWaalsContact O-CD 3.28Å; R103-P105 WeakPolarHBondContact O-CD 3.25Å; R103-E438 IonicContact NH2-OE2 3.65Å; R103-A439 HydrophobicContact CG-CB 4.14Å |
| 104 | D | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -76.3 | 113.9 | 167.5 | 170.1 | 19.4 | 0 | 0 | 0 | 109.8 | I92 Y101 R106 S107 I108 | I92-D104 HydrophobicContact CB-CB 3.92Å; I92-D104 HydrophobicContact CG1-CB 4.19Å; I92-D104 PolarHBondContact N-OD2 3.28Å; Y101-D104 HydrophobicContact CD1-CB 4.32Å; Y101-D104 PolarHBondContact O-N 2.69Å; Y101-D104 VanDerWaalsContact O-N 3.13Å; D104-R106 PolarHBondContact O-N 3.29Å; D104-R106 WeakPolarHBondContact OD1-CB 3.41Å; D104-R106 PolarHBondContact OD1-N 2.98Å; D104-S107 PolarHBondContact O-N 3.02Å; D104-S107 VanDerWaalsContact OD2-CB 3.3Å; D104-S107 WeakPolarHBondContact OD2-CB 3.46Å; D104-S107 PolarHBondContact OD2-N 3.3Å; D104-S107 VanDerWaalsContact OD2-N 3.12Å; D104-S107 PolarHBondContact OD2-OG 3.36Å; D104-I108 WeakPolarHBondContact O-CG1 3.22Å; D104-I108 PolarHBondContact O-N 2.79Å | ||
| 105 | P | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.6 | -36.2 | 178.6 | -23.1 | 34.2 | 0 | 0 | 0 | 113.1 | T23 D24 R103 I108 A109 N367 Y369 L370 | T23-P105 WeakPolarHBondContact O-CD 3.47Å; D24-P105 WeakPolarHBondContact O-CG 3.04Å; R103-P105 VanDerWaalsContact O-CD 3.28Å; R103-P105 WeakPolarHBondContact O-CD 3.25Å; P105-I108 PolarHBondContact O-N 3.26Å; P105-A109 PolarHBondContact O-N 2.89Å; P105-N367 WeakPolarHBondContact CG-ND2 3.32Å; P105-Y369 HydrophobicContact CB-CD2 3.96Å; P105-Y369 HydrophobicContact CB-CG 4.08Å; P105-Y369 VanDerWaalsContact O-CB 3.29Å; P105-Y369 WeakPolarHBondContact O-CB 3.15Å; P105-L370 HydrophobicContact CB-CD2 3.83Å; P105-L370 HydrophobicContact CB-CG 4.05Å; P105-L370 HydrophobicContact CG-CD2 4.43Å |
| 106 | R | 98.8 | Very high | 97.1 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 2% | 0.023 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.6 | -41.6 | -177.9 | -165 | 170.8 | -174.2 | -104.8 | 2.3 | 111 | D71 R89 D91 D104 A109 K110 T230 D234 Y369 | D71-R106 IonicContact OD2-CZ 2.62Å; D71-R106 IonicContact OD2-NH1 3.45Å; D71-R106 PolarHBondContact OD2-NH1 2.91Å; D71-R106 VanDerWaalsContact OD2-NH1 3.15Å; D71-R106 IonicContact OD2-NH2 2.71Å; D71-R106 PolarHBondContact OD2-NH2 3.03Å; R89-R106 VanDerWaalsContact CD-NE 3.28Å; D91-R106 VanDerWaalsContact CG-NH1 3.3Å; D91-R106 WeakPolarHBondContact OD1-CD 3.29Å; D91-R106 WeakPolarHBondContact OD1-CG 3.38Å; D91-R106 IonicContact OD1-CZ 2.79Å; D91-R106 IonicContact OD1-NE 3.26Å; D91-R106 IonicContact OD1-NH1 3.32Å; D91-R106 PolarHBondContact OD1-NH1 3.5Å; D91-R106 IonicContact OD2-NH1 3.57Å; D91-R106 PolarHBondContact OD2-NH1 2.9Å; D104-R106 PolarHBondContact O-N 3.29Å; D104-R106 WeakPolarHBondContact OD1-CB 3.41Å; D104-R106 PolarHBondContact OD1-N 2.98Å; R106-A109 PolarHBondContact O-N 3.35Å; R106-K110 VanDerWaalsContact NH1-NZ 3.17Å; R106-K110 WeakPolarHBondContact O-CG 3.48Å; R106-K110 PolarHBondContact O-N 2.88Å; R106-T230 HydrophobicContact CG-CG2 4.17Å; R106-D234 IonicContact CZ-OD1 2.58Å; R106-D234 IonicContact CZ-OD2 3.65Å; R106-D234 IonicContact NE-OD1 2.85Å; R106-D234 PolarHBondContact NE-OD1 3.06Å; R106-D234 IonicContact NE-OD2 3.96Å; R106-D234 PolarHBondContact NE-OD2 2.81Å; R106-D234 IonicContact NH2-OD1 2.98Å; R106-D234 IonicContact NH2-OD2 3.43Å; R106-D234 PolarHBondContact NH2-OD2 3.27Å; R106-Y369 HydrophobicContact CB-CD1 4.25Å; R106-Y369 HydrophobicContact CB-CE1 4.12Å; R106-Y369 HydrophobicContact CG-CD1 4.22Å; R106-Y369 HydrophobicContact CG-CE1 3.78Å |
| 107 | S | 98.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 39.6 Ų | 39.6 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.6 | -43.9 | 169.7 | -70.7 | 0 | 0 | 0 | 0 | 112.4 | D104 A109 K110 R111 | D104-S107 PolarHBondContact O-N 3.02Å; D104-S107 VanDerWaalsContact OD2-CB 3.3Å; D104-S107 WeakPolarHBondContact OD2-CB 3.46Å; D104-S107 PolarHBondContact OD2-N 3.3Å; D104-S107 VanDerWaalsContact OD2-N 3.12Å; D104-S107 PolarHBondContact OD2-OG 3.36Å; S107-A109 PolarHBondContact O-N 2.99Å; S107-K110 PolarHBondContact O-N 3.45Å; S107-R111 VanDerWaalsContact O-CG 3.28Å; S107-R111 WeakPolarHBondContact O-CG 3.48Å; S107-R111 PolarHBondContact O-N 3.4Å |
| 108 | I | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.5 | -45.1 | 175.4 | -67.9 | 168.3 | 0 | 0 | 0 | 111.2 | D104 P105 K110 R111 A112 L370 A373 V434 F435 | D104-I108 WeakPolarHBondContact O-CG1 3.22Å; D104-I108 PolarHBondContact O-N 2.79Å; P105-I108 PolarHBondContact O-N 3.26Å; I108-K110 PolarHBondContact O-N 3.3Å; I108-R111 PolarHBondContact O-N 2.88Å; I108-A112 PolarHBondContact O-N 3.3Å; I108-L370 HydrophobicContact CB-CD2 4.31Å; I108-L370 HydrophobicContact CD1-CD2 3.72Å; I108-L370 HydrophobicContact CG2-CD2 4.21Å; I108-A373 HydrophobicContact CG2-CB 4.24Å; I108-V434 HydrophobicContact CG2-CG1 4.13Å; I108-F435 HydrophobicContact CD1-CD1 4.32Å; I108-F435 HydrophobicContact CD1-CE1 4.37Å; I108-F435 HydrophobicContact CG2-CD1 4.13Å; I108-F435 HydrophobicContact CG2-CD2 3.92Å; I108-F435 HydrophobicContact CG2-CE1 3.8Å; I108-F435 HydrophobicContact CG2-CE2 3.55Å; I108-F435 HydrophobicContact CG2-CG 4.2Å; I108-F435 HydrophobicContact CG2-CZ 3.49Å; I108-F435 VanDerWaalsContact CG2-CZ 3.49Å |
| 109 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.7 | -41.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P105 R106 S107 A112 E113 M229 T230 Y369 | P105-A109 PolarHBondContact O-N 2.89Å; R106-A109 PolarHBondContact O-N 3.35Å; S107-A109 PolarHBondContact O-N 2.99Å; A109-A112 WeakPolarHBondContact O-CB 3.18Å; A109-A112 PolarHBondContact O-N 2.94Å; A109-E113 PolarHBondContact O-N 3.39Å; A109-E113 VanDerWaalsContact O-N 3.11Å; A109-M229 HydrophobicContact CB-CE 4.2Å; A109-M229 WeakPolarHBondContact O-CE 3.47Å; A109-T230 HydrophobicContact CB-CG2 4.45Å; A109-Y369 HydrophobicContact CB-CD1 3.97Å |
| 110 | K | 98.8 | Very high | 98.3 | Very high | 58 Ų | 58 | 32.9 Ų | 32.9 | 25% | 0.252 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -61.5 | -46.9 | 174.4 | -72.6 | 179.6 | 174.1 | -174.9 | 0 | 111.7 | D71 D91 R106 S107 I108 A112 E113 D114 T230 | D71-K110 IonicContact OD2-NZ 3.6Å; D91-K110 WeakPolarHBondContact OD1-CE 3.48Å; D91-K110 IonicContact OD1-NZ 2.88Å; D91-K110 PolarHBondContact OD1-NZ 2.88Å; D91-K110 IonicContact OD2-NZ 3.74Å; D91-K110 PolarHBondContact OD2-NZ 3.07Å; R106-K110 VanDerWaalsContact NH1-NZ 3.17Å; R106-K110 WeakPolarHBondContact O-CG 3.48Å; R106-K110 PolarHBondContact O-N 2.88Å; S107-K110 PolarHBondContact O-N 3.45Å; I108-K110 PolarHBondContact O-N 3.3Å; K110-A112 VanDerWaalsContact C-N 3.27Å; K110-A112 PolarHBondContact O-N 3.26Å; K110-E113 PolarHBondContact O-N 3.14Å; K110-E113 VanDerWaalsContact O-N 3.13Å; K110-D114 PolarHBondContact O-N 3.33Å; K110-T230 HydrophobicContact CG-CG2 3.95Å |
| 111 | R | 98.7 | Very high | 98.4 | Very high | 58 Ų | 58 | 33.2 Ų | 33.2 | 22% | 0.219 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.9 | -38.7 | 175.1 | -68.8 | 171.4 | -168.6 | -172.3 | 0.2 | 111.9 | G100 D102 S107 I108 D114 Y115 V434 | G100-R111 PolarHBondContact O-NH2 3.01Å; D102-R111 IonicContact OD1-CZ 2.81Å; D102-R111 VanDerWaalsContact OD1-CZ 3.25Å; D102-R111 IonicContact OD1-NH1 3.22Å; D102-R111 PolarHBondContact OD1-NH1 3.23Å; D102-R111 IonicContact OD1-NH2 3.9Å; D102-R111 PolarHBondContact OD1-NH2 3.46Å; S107-R111 VanDerWaalsContact O-CG 3.28Å; S107-R111 WeakPolarHBondContact O-CG 3.48Å; S107-R111 PolarHBondContact O-N 3.4Å; I108-R111 PolarHBondContact O-N 2.88Å; R111-D114 PolarHBondContact O-N 3.25Å; R111-Y115 WeakPolarHBondContact O-CB 3.27Å; R111-Y115 PolarHBondContact O-N 3.11Å; R111-V434 HydrophobicContact CB-CG1 4.43Å; R111-V434 HydrophobicContact CB-CG2 4.39Å |
| 112 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.8 | -41.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I108 A109 K110 Y115 L116 M229 A373 L376 M377 V434 | I108-A112 PolarHBondContact O-N 3.3Å; A109-A112 WeakPolarHBondContact O-CB 3.18Å; A109-A112 PolarHBondContact O-N 2.94Å; K110-A112 VanDerWaalsContact C-N 3.27Å; K110-A112 PolarHBondContact O-N 3.26Å; A112-Y115 PolarHBondContact O-N 3.29Å; A112-L116 PolarHBondContact O-N 3.13Å; A112-M229 HydrophobicContact CB-CE 3.59Å; A112-A373 HydrophobicContact CB-CB 4.01Å; A112-L376 HydrophobicContact CB-CD2 4.05Å; A112-M377 HydrophobicContact CB-SD 4.41Å; A112-V434 HydrophobicContact CB-CG1 3.67Å |
| 113 | E | 98.8 | Very high | 98.5 | Very high | 18 Ų | 18 | 32.6 Ų | 32.6 | 8% | 0.084 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.6 | -38.3 | 173.6 | -67.2 | -167.9 | 103.6 | 0 | 0 | 112.3 | A109 K110 L116 R117 V125 M229 T230 | A109-E113 PolarHBondContact O-N 3.39Å; A109-E113 VanDerWaalsContact O-N 3.11Å; K110-E113 PolarHBondContact O-N 3.14Å; K110-E113 VanDerWaalsContact O-N 3.13Å; E113-L116 WeakPolarHBondContact O-CB 3.21Å; E113-L116 PolarHBondContact O-N 2.67Å; E113-R117 VanDerWaalsContact O-CZ 3.31Å; E113-R117 PolarHBondContact O-N 2.7Å; E113-R117 PolarHBondContact O-NH1 2.75Å; E113-V125 HydrophobicContact CG-CG1 4.19Å; E113-M229 HydrophobicContact CG-CB 4.03Å; E113-M229 HydrophobicContact CG-CE 3.61Å; E113-M229 PolarHBondContact OE1-N 3.26Å; E113-T230 WeakPolarHBondContact OE2-CB 3.45Å; E113-T230 PolarHBondContact OE2-N 2.95Å; E113-T230 PolarHBondContact OE2-OG1 3.33Å |
| 114 | D | 98.6 | Very high | 98.5 | Very high | 88 Ų | 88 | 32.1 Ų | 32.1 | 47% | 0.471 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 173.4 | -75 | -34.2 | 0 | 0 | 0 | 111.6 | K110 R111 L116 R117 S118 | K110-D114 PolarHBondContact O-N 3.33Å; R111-D114 PolarHBondContact O-N 3.25Å; D114-L116 PolarHBondContact O-N 3.48Å; D114-R117 PolarHBondContact O-N 3.48Å; D114-R117 IonicContact OD1-CZ 2.92Å; D114-R117 IonicContact OD1-NE 2.64Å; D114-R117 IonicContact OD1-NH2 3.26Å; D114-R117 PolarHBondContact OD1-NH2 3.39Å; D114-S118 WeakPolarHBondContact O-CB 3.47Å; D114-S118 PolarHBondContact O-N 3Å |
| 115 | Y | 98.7 | Very high | 98.5 | Very high | 36 Ų | 36 | 32.1 Ų | 32.1 | 14% | 0.141 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.8 | -48.6 | 176.1 | -177.9 | -114.4 | 0 | 0 | 0 | 110.8 | R111 A112 R117 S118 T119 M377 L380 K384 A431 G432 V434 | R111-Y115 WeakPolarHBondContact O-CB 3.27Å; R111-Y115 PolarHBondContact O-N 3.11Å; A112-Y115 PolarHBondContact O-N 3.29Å; Y115-R117 VanDerWaalsContact C-N 3.3Å; Y115-R117 PolarHBondContact O-N 2.97Å; Y115-S118 WeakPolarHBondContact CA-OG 3.34Å; Y115-S118 WeakPolarHBondContact O-CB 3.36Å; Y115-S118 PolarHBondContact O-N 2.64Å; Y115-S118 PolarHBondContact O-OG 3.32Å; Y115-T119 HydrophobicContact CD1-CG2 4.13Å; Y115-T119 HydrophobicContact CD2-CG2 4.41Å; Y115-T119 HydrophobicContact CE1-CG2 3.92Å; Y115-T119 HydrophobicContact CE2-CG2 4.24Å; Y115-T119 HydrophobicContact CG-CG2 4.41Å; Y115-T119 VanDerWaalsContact O-CG2 3.22Å; Y115-T119 WeakPolarHBondContact O-CG2 3.23Å; Y115-T119 PolarHBondContact O-N 2.91Å; Y115-M377 HydrophobicContact CD1-CE 3.64Å; Y115-M377 HydrophobicContact CD1-SD 3.74Å; Y115-M377 HydrophobicContact CE1-CE 3.63Å; Y115-M377 HydrophobicContact CE1-SD 4.22Å; Y115-M377 HydrophobicContact CG-CE 4.45Å; Y115-L380 HydrophobicContact CD1-CD1 3.73Å; Y115-L380 HydrophobicContact CE1-CD1 4.02Å; Y115-K384 PolarHBondContact OH-NZ 3.22Å; Y115-A431 HydrophobicContact CE1-CB 4.29Å; Y115-A431 VanDerWaalsContact OH-CB 3.29Å; Y115-A431 WeakPolarHBondContact OH-CB 3.3Å; Y115-G432 VanDerWaalsContact CE2-CA 3.42Å; Y115-V434 HydrophobicContact CD1-CG2 4.48Å; Y115-V434 HydrophobicContact CG-CG2 4.1Å |
| 116 | L | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -48.8 | -52 | 174.8 | 173.4 | 65.2 | 0 | 0 | 0 | 111.4 | A112 E113 D114 S118 T119 A122 V125 L275 L376 L380 | A112-L116 PolarHBondContact O-N 3.13Å; E113-L116 WeakPolarHBondContact O-CB 3.21Å; E113-L116 PolarHBondContact O-N 2.67Å; D114-L116 PolarHBondContact O-N 3.48Å; L116-S118 PolarHBondContact O-N 2.79Å; L116-T119 PolarHBondContact O-N 3Å; L116-T119 PolarHBondContact O-OG1 3.03Å; L116-A122 HydrophobicContact CD1-CB 3.82Å; L116-A122 HydrophobicContact CD2-CB 4.34Å; L116-A122 HydrophobicContact CG-CB 4.24Å; L116-V125 HydrophobicContact CD2-CB 3.72Å; L116-V125 HydrophobicContact CD2-CG1 3.8Å; L116-L275 HydrophobicContact CD1-CD1 4.45Å; L116-L275 HydrophobicContact CD1-CD2 4.06Å; L116-L275 HydrophobicContact CD2-CD2 4.03Å; L116-L376 HydrophobicContact CB-CD2 4.31Å; L116-L376 HydrophobicContact CD1-CD1 4.35Å; L116-L376 HydrophobicContact CD2-CD1 4.4Å; L116-L380 HydrophobicContact CB-CD1 4.37Å; L116-L380 HydrophobicContact CD1-CD1 4.24Å; L116-L380 HydrophobicContact CD1-CD2 3.64Å; L116-L380 HydrophobicContact CD1-CG 4.44Å |
| 117 | R | 98.6 | Very high | 98.5 | Very high | 112 Ų | 112 | 33.3 Ų | 33.3 | 42% | 0.423 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.9 | -45.6 | 177.3 | -74.3 | -177.2 | -74.1 | -83.7 | 4.7 | 112 | E113 D114 Y115 T119 G120 D123 | E113-R117 VanDerWaalsContact O-CZ 3.31Å; E113-R117 PolarHBondContact O-N 2.7Å; E113-R117 PolarHBondContact O-NH1 2.75Å; D114-R117 PolarHBondContact O-N 3.48Å; D114-R117 IonicContact OD1-CZ 2.92Å; D114-R117 IonicContact OD1-NE 2.64Å; D114-R117 IonicContact OD1-NH2 3.26Å; D114-R117 PolarHBondContact OD1-NH2 3.39Å; Y115-R117 VanDerWaalsContact C-N 3.3Å; Y115-R117 PolarHBondContact O-N 2.97Å; R117-T119 PolarHBondContact O-N 2.97Å; R117-G120 PolarHBondContact O-N 2.98Å; R117-D123 WeakPolarHBondContact CG-O 3.06Å |
| 118 | S | 98.4 | Very high | 98.5 | Very high | 90 Ų | 90 | 33.3 Ų | 33.3 | 63% | 0.629 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -62 | -29.8 | -179.1 | 80.7 | 0 | 0 | 0 | 0 | 113.4 | D114 Y115 L116 G120 | D114-S118 WeakPolarHBondContact O-CB 3.47Å; D114-S118 PolarHBondContact O-N 3Å; Y115-S118 WeakPolarHBondContact CA-OG 3.34Å; Y115-S118 WeakPolarHBondContact O-CB 3.36Å; Y115-S118 PolarHBondContact O-N 2.64Å; Y115-S118 PolarHBondContact O-OG 3.32Å; L116-S118 PolarHBondContact O-N 2.79Å; S118-G120 PolarHBondContact O-N 2.86Å |
| 119 | T | 98 | Very high | 98.5 | Very high | 40 Ų | 40 | 33.2 Ų | 33.2 | 25% | 0.245 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -18.3 | 177 | 70.9 | 0 | 0 | 0 | 0 | 113.5 | Y115 L116 R117 I121 K384 | Y115-T119 HydrophobicContact CD1-CG2 4.13Å; Y115-T119 HydrophobicContact CD2-CG2 4.41Å; Y115-T119 HydrophobicContact CE1-CG2 3.92Å; Y115-T119 HydrophobicContact CE2-CG2 4.24Å; Y115-T119 HydrophobicContact CG-CG2 4.41Å; Y115-T119 VanDerWaalsContact O-CG2 3.22Å; Y115-T119 WeakPolarHBondContact O-CG2 3.23Å; Y115-T119 PolarHBondContact O-N 2.91Å; L116-T119 PolarHBondContact O-N 3Å; L116-T119 PolarHBondContact O-OG1 3.03Å; R117-T119 PolarHBondContact O-N 2.97Å; T119-I121 HydrophobicContact CG2-CD1 4.42Å; T119-I121 PolarHBondContact O-N 3.14Å; T119-I121 WeakPolarHBondContact OG1-CB 3.35Å; T119-I121 VanDerWaalsContact OG1-CG1 3.31Å; T119-I121 WeakPolarHBondContact OG1-CG1 3.49Å; T119-I121 PolarHBondContact OG1-N 3.06Å; T119-I121 VanDerWaalsContact OG1-N 3.13Å; T119-K384 VanDerWaalsContact CG2-NZ 3.29Å |
| 120 | G | 97.7 | Very high | 98.5 | Very high | 38 Ų | 38 | 35.3 Ų | 35.3 | 39% | 0.392 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 4.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R117 S118 K277 | R117-G120 PolarHBondContact O-N 2.98Å; S118-G120 PolarHBondContact O-N 2.86Å; G120-K277 PolarHBondContact O-NZ 3.17Å |
| 121 | I | 98.1 | Very high | 98.5 | Very high | 26 Ų | 26 | 32.6 Ų | 32.6 | 13% | 0.133 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -66.6 | -50.9 | 179 | -67.9 | 169.3 | 0 | 0 | 0 | 110.4 | T119 L275 L282 L380 I383 K384 | T119-I121 HydrophobicContact CG2-CD1 4.42Å; T119-I121 PolarHBondContact O-N 3.14Å; T119-I121 WeakPolarHBondContact OG1-CB 3.35Å; T119-I121 VanDerWaalsContact OG1-CG1 3.31Å; T119-I121 WeakPolarHBondContact OG1-CG1 3.49Å; T119-I121 PolarHBondContact OG1-N 3.06Å; T119-I121 VanDerWaalsContact OG1-N 3.13Å; I121-L275 HydrophobicContact CG2-CD1 4.15Å; I121-L282 VanDerWaalsContact O-CD1 3.26Å; I121-L282 WeakPolarHBondContact O-CD1 3.47Å; I121-L380 HydrophobicContact CB-CD2 4.48Å; I121-L380 HydrophobicContact CD1-CD2 3.84Å; I121-L380 HydrophobicContact CG2-CD2 4.28Å; I121-I383 HydrophobicContact CD1-CB 4.47Å; I121-I383 HydrophobicContact CD1-CG2 3.91Å; I121-I383 HydrophobicContact CG1-CG2 4.36Å; I121-I383 HydrophobicContact CG2-CD1 4.09Å; I121-I383 HydrophobicContact CG2-CG2 4.2Å; I121-K384 HydrophobicContact CD1-CG 4.05Å |
| 122 | A | 98.4 | Very high | 98.5 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | trans | -147.5 | 168 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110 | L116 L275 S276 L282 | L116-A122 HydrophobicContact CD1-CB 3.82Å; L116-A122 HydrophobicContact CD2-CB 4.34Å; L116-A122 HydrophobicContact CG-CB 4.24Å; A122-L275 HydrophobicContact CB-CB 3.87Å; A122-L275 HydrophobicContact CB-CD1 4.35Å; A122-L275 HydrophobicContact CB-CD2 4.35Å; A122-L275 HydrophobicContact CB-CG 4.42Å; A122-S276 VanDerWaalsContact CB-O 3.32Å; A122-S276 WeakPolarHBondContact CB-O 3.31Å; A122-L282 HydrophobicContact CB-CD1 3.79Å | ||
| 123 | D | 98.1 | Very high | 98.5 | Very high | 48 Ų | 48 | 30.6 Ų | 30.6 | 26% | 0.257 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -104.4 | -20.3 | 172.8 | 55.5 | 37.9 | 0 | 0 | 0 | 113.3 | R117 S276 K277 N278 | R117-D123 WeakPolarHBondContact CG-O 3.06Å; D123-S276 PolarHBondContact N-O 3.3Å; D123-K277 VanDerWaalsContact OD2-CA 3.32Å; D123-K277 WeakPolarHBondContact OD2-CA 3.19Å; D123-N278 PolarHBondContact OD2-N 2.89Å |
| 124 | T | 98.2 | Very high | 98.5 | Very high | 41 Ų | 41 | 29.7 Ų | 29.7 | 25% | 0.252 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 135.9 | -175 | -46.5 | 0 | 0 | 0 | 0 | 110.2 | L126 T228 S276 | T124-L126 HydrophobicContact CG2-CD2 3.98Å; T124-T228 HydrophobicContact CG2-CG2 3.75Å; T124-S276 PolarHBondContact N-O 2.62Å; T124-S276 PolarHBondContact O-N 3.45Å |
| 125 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 135.6 | 165 | 51.6 | 0 | 0 | 0 | 0 | 108.9 | E113 L116 F127 T228 M229 L275 L376 | E113-V125 HydrophobicContact CG-CG1 4.19Å; L116-V125 HydrophobicContact CD2-CB 3.72Å; L116-V125 HydrophobicContact CD2-CG1 3.8Å; V125-F127 HydrophobicContact CG2-CD2 3.76Å; V125-F127 HydrophobicContact CG2-CE2 3.44Å; V125-F127 VanDerWaalsContact CG2-CE2 3.44Å; V125-T228 WeakPolarHBondContact O-CA 3.44Å; V125-M229 HydrophobicContact CG1-CB 3.62Å; V125-M229 HydrophobicContact CG1-SD 4.26Å; V125-M229 PolarHBondContact O-N 3.16Å; V125-L275 HydrophobicContact CB-CD2 3.7Å; V125-L275 HydrophobicContact CG2-CD2 3.89Å; V125-L376 HydrophobicContact CB-CD1 4.18Å; V125-L376 HydrophobicContact CG1-CD1 4.39Å; V125-L376 HydrophobicContact CG1-CD2 3.95Å; V125-L376 HydrophobicContact CG2-CD1 4.11Å |
| 126 | L | 98.6 | Very high | 98.5 | Very high | 32 Ų | 32 | 24 Ų | 24 | 17% | 0.168 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 132.4 | 178.7 | -59.6 | 174.1 | 0 | 0 | 0 | 109.9 | T124 F226 N227 T228 M273 S274 | T124-L126 HydrophobicContact CG2-CD2 3.98Å; L126-F226 HydrophobicContact CB-CD2 4.01Å; L126-F226 HydrophobicContact CD1-CD2 3.98Å; L126-F226 HydrophobicContact CD1-CE2 3.67Å; L126-F226 HydrophobicContact CD1-CZ 4.5Å; L126-F226 HydrophobicContact CD2-CD2 3.95Å; L126-F226 HydrophobicContact CD2-CE2 4.03Å; L126-F226 HydrophobicContact CG-CD2 4.19Å; L126-F226 HydrophobicContact CG-CE2 4.29Å; L126-N227 WeakPolarHBondContact CA-O 3.35Å; L126-T228 HydrophobicContact CD2-CG2 4.49Å; L126-M273 WeakPolarHBondContact O-CA 3.06Å; L126-S274 PolarHBondContact N-O 2.94Å; L126-S274 PolarHBondContact O-N 3.48Å |
| 127 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 133.4 | 174.3 | -85.7 | -98.2 | 0 | 0 | 0 | 110.5 | V125 F226 N227 M229 K232 H272 M273 F372 L375 | V125-F127 HydrophobicContact CG2-CD2 3.76Å; V125-F127 HydrophobicContact CG2-CE2 3.44Å; V125-F127 VanDerWaalsContact CG2-CE2 3.44Å; F127-F226 CarbonylContact O-C 3.59Å; F127-F226 WeakPolarHBondContact O-CA 3.1Å; F127-F226 WeakPolarHBondContact O-CB 3.42Å; F127-N227 PolarHBondContact N-O 3.23Å; F127-N227 PolarHBondContact O-N 3.17Å; F127-M229 HydrophobicContact CD2-CB 3.7Å; F127-M229 HydrophobicContact CD2-CG 3.61Å; F127-M229 HydrophobicContact CD2-SD 4.3Å; F127-M229 HydrophobicContact CE2-CB 3.97Å; F127-M229 HydrophobicContact CE2-CG 3.56Å; F127-M229 HydrophobicContact CE2-SD 3.63Å; F127-M229 HydrophobicContact CG-CG 4.48Å; F127-M229 HydrophobicContact CZ-CG 4.42Å; F127-M229 HydrophobicContact CZ-SD 4.27Å; F127-K232 HydrophobicContact CB-CB 4.16Å; F127-K232 HydrophobicContact CB-CG 4.14Å; F127-K232 WeakPolarHBondContact O-CG 3.36Å; F127-H272 CarbonylContact C-O 3.18Å; F127-H272 VanDerWaalsContact CA-O 3.32Å; F127-H272 WeakPolarHBondContact CA-O 3.45Å; F127-M273 HydrophobicContact CD1-CG 3.72Å; F127-M273 HydrophobicContact CD1-SD 4.24Å; F127-M273 HydrophobicContact CD2-CG 4.49Å; F127-M273 HydrophobicContact CE1-CG 3.44Å; F127-M273 VanDerWaalsContact CE1-CG 3.44Å; F127-M273 HydrophobicContact CE1-SD 3.37Å; F127-M273 WeakPolarHBondContact CE1-SD 3.48Å; F127-M273 HydrophobicContact CE2-CG 4.28Å; F127-M273 HydrophobicContact CE2-SD 4.48Å; F127-M273 HydrophobicContact CG-CG 4.24Å; F127-M273 HydrophobicContact CZ-CG 3.75Å; F127-M273 HydrophobicContact CZ-SD 3.52Å; F127-M273 VanDerWaalsContact CZ-SD 3.52Å; F127-F372 HydrophobicContact CB-CD2 4.37Å; F127-F372 HydrophobicContact CD1-CB 3.98Å; F127-F372 AromaticContact CD1-CD1 3.63Å; F127-F372 HydrophobicContact CD1-CD1 3.63Å; F127-F372 HydrophobicContact CD1-CD2 4.09Å; F127-F372 HydrophobicContact CD1-CE1 4.15Å; F127-F372 AromaticContact CD1-CG 3.62Å; F127-F372 HydrophobicContact CD1-CG 3.62Å; F127-F372 HydrophobicContact CD2-CB 4.34Å; F127-F372 HydrophobicContact CE1-CB 3.64Å; F127-F372 AromaticContact CE1-CD1 3.69Å; F127-F372 HydrophobicContact CE1-CD1 3.69Å; F127-F372 AromaticContact CE1-CG 3.73Å; F127-F372 HydrophobicContact CE1-CG 3.73Å; F127-F372 HydrophobicContact CE2-CB 4.02Å; F127-F372 HydrophobicContact CG-CB 4.32Å; F127-F372 HydrophobicContact CG-CD1 4.48Å; F127-F372 HydrophobicContact CG-CD2 4.15Å; F127-F372 HydrophobicContact CG-CG 4.07Å; F127-F372 HydrophobicContact CZ-CB 3.67Å; F127-F372 HydrophobicContact CZ-CG 4.25Å; F127-F372 VanDerWaalsContact CZ-O 3.3Å; F127-F372 WeakPolarHBondContact CZ-O 3.24Å; F127-L375 HydrophobicContact CE1-CB 4.22Å; F127-L375 HydrophobicContact CE1-CD1 4.01Å; F127-L375 HydrophobicContact CZ-CB 4.12Å |
| 128 | G | 98.7 | Very high | 98.5 | Very high | 8 Ų | 8 | 24.6 Ų | 24.6 | 8% | 0.082 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 78.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | H272 | G128-H272 PolarHBondContact N-O 3.18Å; G128-H272 VanDerWaalsContact O-CB 3.3Å; G128-H272 WeakPolarHBondContact O-CB 3.44Å; G128-H272 PolarHBondContact O-CD2 3.23Å; G128-H272 VanDerWaalsContact O-CD2 3.3Å; G128-H272 PolarHBondContact O-N 2.99Å |
| 129 | P | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 142.2 | 172.4 | 29.2 | -39.1 | 0 | 0 | 0 | 112.8 | P131 K232 I236 M269 H270 F372 | P129-P131 VanDerWaalsContact C-CD 3.45Å; P129-P131 VanDerWaalsContact O-CD 3.24Å; P129-P131 WeakPolarHBondContact O-CD 3.27Å; P129-K232 VanDerWaalsContact CD-CE 3.44Å; P129-K232 VanDerWaalsContact CD-CG 3.41Å; P129-K232 HydrophobicContact CG-CD 4.21Å; P129-K232 HydrophobicContact CG-CG 3.74Å; P129-I236 HydrophobicContact CB-CD1 3.92Å; P129-I236 HydrophobicContact CB-CG1 4.39Å; P129-I236 HydrophobicContact CG-CD1 3.53Å; P129-I236 HydrophobicContact CG-CG1 3.72Å; P129-M269 HydrophobicContact CB-CG 3.83Å; P129-M269 HydrophobicContact CB-SD 4.1Å; P129-H270 CarbonylContact C-O 3.59Å; P129-H270 WeakPolarHBondContact CA-O 3.32Å; P129-F372 HydrophobicContact CB-CE1 4.38Å; P129-F372 HydrophobicContact CB-CZ 3.94Å; P129-F372 HydrophobicContact CG-CE2 4.4Å; P129-F372 HydrophobicContact CG-CZ 3.79Å |
| 130 | E | 98.6 | Very high | 98.6 | Very high | 45 Ų | 45 | 27.9 Ų | 27.9 | 21% | 0.21 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 75.2 | 175 | -65.2 | 179.9 | 158.6 | 0 | 0 | 110.1 | E132 E221 M269 H270 H272 | E130-E132 PolarHBondContact O-N 2.91Å; E130-E221 WeakPolarHBondContact CB-OE1 3.21Å; E130-M269 VanDerWaalsContact O-CA 3.32Å; E130-M269 WeakPolarHBondContact O-CA 3.32Å; E130-H270 HydrophobicContact CB-CB 4.21Å; E130-H270 PolarHBondContact N-O 3.16Å; E130-H270 WeakPolarHBondContact OE2-CB 2.95Å; E130-H270 IonicContact OE2-CG 2.96Å; E130-H270 IonicContact OE2-ND1 3.36Å; E130-H270 PolarHBondContact OE2-ND1 3.37Å; E130-H272 IonicContact OE1-CD2 3.51Å; E130-H272 IonicContact OE1-NE2 3.02Å; E130-H272 PolarHBondContact OE1-NE2 3.25Å; E130-H272 VanDerWaalsContact OE1-NE2 3.13Å; E130-H272 IonicContact OE2-NE2 3.84Å |
| 131 | P | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 108.1 | -176.4 | 32.2 | -36.1 | 0 | 0 | 0 | 112.4 | P129 I236 Y239 F256 M269 P364 | P129-P131 VanDerWaalsContact C-CD 3.45Å; P129-P131 VanDerWaalsContact O-CD 3.24Å; P129-P131 WeakPolarHBondContact O-CD 3.27Å; P131-I236 HydrophobicContact CB-CD1 4.33Å; P131-I236 HydrophobicContact CG-CD1 3.69Å; P131-Y239 HydrophobicContact CB-CE1 4.19Å; P131-Y239 HydrophobicContact CG-CD1 3.85Å; P131-Y239 HydrophobicContact CG-CD2 4.36Å; P131-Y239 HydrophobicContact CG-CE1 3.57Å; P131-Y239 HydrophobicContact CG-CE2 4.1Å; P131-Y239 HydrophobicContact CG-CG 4.23Å; P131-Y239 PolarHBondContact O-OH 2.9Å; P131-F256 HydrophobicContact CB-CE1 4.32Å; P131-M269 HydrophobicContact CB-CG 4.09Å; P131-M269 HydrophobicContact CB-SD 4.41Å; P131-P364 HydrophobicContact CB-CB 4.46Å; P131-P364 HydrophobicContact CB-CG 4.45Å |
| 132 | E | 98.7 | Very high | 98.7 | Very high | 16 Ų | 16 | 33.7 Ų | 33.7 | 8% | 0.075 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 156.1 | 171.8 | -61.6 | 166.4 | -159.8 | 0 | 0 | 111.2 | E130 E213 Q219 E221 F256 S267 G268 P364 | E130-E132 PolarHBondContact O-N 2.91Å; E132-E213 HydrophobicContact CG-CG 4.18Å; E132-Q219 PolarHBondContact OE2-NE2 3.08Å; E132-E221 HydrophobicContact CG-CB 4.47Å; E132-E221 HydrophobicContact CG-CG 4.43Å; E132-F256 WeakPolarHBondContact O-CD1 3.47Å; E132-S267 VanDerWaalsContact OE2-CA 3.24Å; E132-S267 WeakPolarHBondContact OE2-CA 3.18Å; E132-G268 PolarHBondContact N-O 3.46Å; E132-G268 PolarHBondContact OE2-N 2.8Å; E132-P364 WeakPolarHBondContact O-CG 3.36Å |
| 133 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 168.8 | 177.8 | 58 | -87 | 0 | 0 | 0 | 112 | L135 M196 Q219 N220 V222 Y239 V243 T255 F256 | F133-L135 HydrophobicContact CD2-CD2 4Å; F133-L135 HydrophobicContact CD2-CG 4.16Å; F133-L135 HydrophobicContact CE2-CD1 4.27Å; F133-L135 HydrophobicContact CE2-CD2 3.88Å; F133-L135 HydrophobicContact CE2-CG 3.92Å; F133-M196 HydrophobicContact CE2-CE 4.17Å; F133-M196 HydrophobicContact CE2-SD 4Å; F133-M196 HydrophobicContact CZ-CE 4.49Å; F133-M196 HydrophobicContact CZ-SD 3.73Å; F133-Q219 CarbonylContact O-C 3.54Å; F133-Q219 WeakPolarHBondContact O-CA 3.46Å; F133-N220 WeakPolarHBondContact CD1-O 3.25Å; F133-N220 HydrophobicContact CD2-CB 4.24Å; F133-N220 HydrophobicContact CE1-CB 4.35Å; F133-N220 HydrophobicContact CE2-CB 3.65Å; F133-N220 HydrophobicContact CZ-CB 3.71Å; F133-N220 PolarHBondContact N-O 3.45Å; F133-N220 PolarHBondContact O-N 2.91Å; F133-V222 HydrophobicContact CE1-CG2 4.42Å; F133-V222 HydrophobicContact CZ-CG2 4.45Å; F133-Y239 HydrophobicContact CD1-CE1 4.1Å; F133-Y239 HydrophobicContact CE1-CE1 4.22Å; F133-Y239 VanDerWaalsContact CE1-OH 3.31Å; F133-Y239 WeakPolarHBondContact CE1-OH 3.23Å; F133-V243 HydrophobicContact CB-CG1 4.49Å; F133-V243 HydrophobicContact CD1-CG1 4.24Å; F133-V243 HydrophobicContact CD1-CG2 4.28Å; F133-V243 HydrophobicContact CD2-CG1 3.59Å; F133-V243 HydrophobicContact CE1-CG1 4.36Å; F133-V243 HydrophobicContact CE1-CG2 3.92Å; F133-V243 HydrophobicContact CE2-CG1 3.72Å; F133-V243 HydrophobicContact CE2-CG2 4.45Å; F133-V243 HydrophobicContact CG-CG1 3.86Å; F133-V243 HydrophobicContact CZ-CG1 4.11Å; F133-V243 HydrophobicContact CZ-CG2 4.01Å; F133-T255 WeakPolarHBondContact CA-O 3.46Å; F133-T255 WeakPolarHBondContact CB-O 3.34Å; F133-F256 HydrophobicContact CB-CD1 3.82Å; F133-F256 HydrophobicContact CB-CE1 3.65Å; F133-F256 HydrophobicContact CB-CE2 4.38Å; F133-F256 HydrophobicContact CB-CG 4.3Å; F133-F256 HydrophobicContact CB-CZ 3.95Å; F133-F256 HydrophobicContact CD1-CE1 4.05Å; F133-F256 HydrophobicContact CD1-CZ 4.19Å; F133-F256 HydrophobicContact CG-CE1 4.19Å; F133-F256 HydrophobicContact CG-CZ 4.21Å |
| 134 | F | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 147.1 | 171.6 | -78.8 | -93.5 | 0 | 0 | 0 | 111.4 | F136 A215 A217 G218 Q219 A254 T255 P260 M261 S267 | F134-F136 HydrophobicContact CB-CD1 4.31Å; F134-F136 HydrophobicContact CB-CE1 3.64Å; F134-F136 HydrophobicContact CB-CE2 4.01Å; F134-F136 HydrophobicContact CB-CZ 3.45Å; F134-F136 VanDerWaalsContact CB-CZ 3.45Å; F134-F136 AromaticContact CD1-CE1 3.53Å; F134-F136 HydrophobicContact CD1-CE1 3.53Å; F134-F136 AromaticContact CD1-CZ 3.73Å; F134-F136 HydrophobicContact CD1-CZ 3.73Å; F134-F136 HydrophobicContact CE1-CE1 4.48Å; F134-F136 AromaticContact CG-CE1 3.88Å; F134-F136 HydrophobicContact CG-CE1 3.88Å; F134-F136 AromaticContact CG-CZ 3.68Å; F134-F136 HydrophobicContact CG-CZ 3.68Å; F134-A215 HydrophobicContact CE1-CB 3.76Å; F134-A215 HydrophobicContact CZ-CB 3.7Å; F134-A217 WeakPolarHBondContact CD1-O 3.38Å; F134-G218 CarbonylContact C-O 3.43Å; F134-G218 VanDerWaalsContact CA-O 3.28Å; F134-G218 WeakPolarHBondContact CA-O 3.46Å; F134-Q219 HydrophobicContact CD1-CB 3.93Å; F134-Q219 HydrophobicContact CD1-CG 4.34Å; F134-Q219 HydrophobicContact CD2-CG 4.2Å; F134-Q219 HydrophobicContact CE1-CB 3.55Å; F134-Q219 HydrophobicContact CE1-CG 3.96Å; F134-Q219 HydrophobicContact CE2-CB 4.34Å; F134-Q219 HydrophobicContact CE2-CG 3.8Å; F134-Q219 HydrophobicContact CG-CB 4.49Å; F134-Q219 HydrophobicContact CG-CG 4.47Å; F134-Q219 HydrophobicContact CZ-CB 3.8Å; F134-Q219 HydrophobicContact CZ-CG 3.68Å; F134-A254 CarbonylContact O-C 3.16Å; F134-A254 WeakPolarHBondContact O-CA 3.41Å; F134-T255 HydrophobicContact CB-CG2 3.84Å; F134-T255 PolarHBondContact N-O 3.48Å; F134-T255 PolarHBondContact O-N 2.83Å; F134-P260 HydrophobicContact CD1-CG 4.45Å; F134-P260 HydrophobicContact CD2-CG 3.41Å; F134-P260 VanDerWaalsContact CD2-CG 3.41Å; F134-P260 HydrophobicContact CE1-CG 4.47Å; F134-P260 HydrophobicContact CE2-CG 3.44Å; F134-P260 VanDerWaalsContact CE2-CG 3.44Å; F134-P260 HydrophobicContact CG-CG 3.93Å; F134-P260 HydrophobicContact CZ-CG 4Å; F134-M261 HydrophobicContact CD1-CE 3.86Å; F134-M261 HydrophobicContact CE1-CE 3.21Å; F134-M261 HydrophobicContact CZ-CE 3.83Å; F134-S267 VanDerWaalsContact CD2-OG 3.29Å; F134-S267 WeakPolarHBondContact CD2-OG 3.45Å; F134-S267 VanDerWaalsContact CE2-OG 3.28Å; F134-S267 WeakPolarHBondContact CE2-OG 3.37Å |
| 135 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 116.1 | 169.8 | -61.6 | -177.9 | 0 | 0 | 0 | 109 | F133 A189 I192 M196 G218 N220 A247 K252 A254 | F133-L135 HydrophobicContact CD2-CD2 4Å; F133-L135 HydrophobicContact CD2-CG 4.16Å; F133-L135 HydrophobicContact CE2-CD1 4.27Å; F133-L135 HydrophobicContact CE2-CD2 3.88Å; F133-L135 HydrophobicContact CE2-CG 3.92Å; L135-A189 HydrophobicContact CD1-CB 4.33Å; L135-I192 HydrophobicContact CD1-CG2 3.97Å; L135-M196 HydrophobicContact CD1-CE 4.21Å; L135-M196 HydrophobicContact CD2-CE 3.94Å; L135-G218 PolarHBondContact N-O 3.41Å; L135-N220 WeakPolarHBondContact CD1-OD1 3.35Å; L135-A247 HydrophobicContact CD2-CB 3.74Å; L135-K252 HydrophobicContact CB-CD 3.95Å; L135-A254 HydrophobicContact CD2-CB 3.64Å |
| 136 | F | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 161.5 | 177.6 | -55.8 | -40.3 | 0 | 0 | 0 | 111.4 | F134 I152 D154 A217 K252 T253 T255 P260 M261 | F134-F136 HydrophobicContact CB-CD1 4.31Å; F134-F136 HydrophobicContact CB-CE1 3.64Å; F134-F136 HydrophobicContact CB-CE2 4.01Å; F134-F136 HydrophobicContact CB-CZ 3.45Å; F134-F136 VanDerWaalsContact CB-CZ 3.45Å; F134-F136 AromaticContact CD1-CE1 3.53Å; F134-F136 HydrophobicContact CD1-CE1 3.53Å; F134-F136 AromaticContact CD1-CZ 3.73Å; F134-F136 HydrophobicContact CD1-CZ 3.73Å; F134-F136 HydrophobicContact CE1-CE1 4.48Å; F134-F136 AromaticContact CG-CE1 3.88Å; F134-F136 HydrophobicContact CG-CE1 3.88Å; F134-F136 AromaticContact CG-CZ 3.68Å; F134-F136 HydrophobicContact CG-CZ 3.68Å; F136-I152 HydrophobicContact CD1-CG2 3.74Å; F136-I152 HydrophobicContact CD2-CG2 3.87Å; F136-I152 HydrophobicContact CE1-CG2 3.68Å; F136-I152 HydrophobicContact CE2-CD1 4.28Å; F136-I152 HydrophobicContact CE2-CG1 4.28Å; F136-I152 HydrophobicContact CE2-CG2 3.82Å; F136-I152 HydrophobicContact CG-CG2 3.84Å; F136-I152 HydrophobicContact CZ-CD1 4.4Å; F136-I152 HydrophobicContact CZ-CG2 3.74Å; F136-D154 HydrophobicContact CD1-CB 4.27Å; F136-A217 HydrophobicContact CD1-CB 4.46Å; F136-A217 WeakPolarHBondContact CD1-O 3.36Å; F136-A217 HydrophobicContact CE1-CB 4.2Å; F136-A217 VanDerWaalsContact CE1-O 3.25Å; F136-A217 WeakPolarHBondContact CE1-O 3.36Å; F136-K252 CarbonylContact O-C 3.44Å; F136-K252 WeakPolarHBondContact O-CA 3.48Å; F136-K252 WeakPolarHBondContact O-CB 3.34Å; F136-T253 HydrophobicContact CB-CG2 3.99Å; F136-T253 PolarHBondContact N-O 3.32Å; F136-T253 PolarHBondContact O-N 3.07Å; F136-T255 HydrophobicContact CD2-CG2 4.1Å; F136-T255 HydrophobicContact CE2-CG2 3.54Å; F136-T255 HydrophobicContact CZ-CG2 4.25Å; F136-P260 HydrophobicContact CE2-CB 4.08Å; F136-P260 HydrophobicContact CZ-CB 3.93Å; F136-P260 HydrophobicContact CZ-CG 4.03Å; F136-M261 HydrophobicContact CE1-CE 4.35Å |
| 137 | D | 98.8 | Very high | 98.6 | Very high | 72 Ų | 72 | 50.5 Ų | 50.5 | 39% | 0.385 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -91.1 | -36.8 | 171.4 | -71.5 | -41.8 | 0 | 0 | 0 | 111.5 | D153 D154 I155 K252 | D137-D153 PolarHBondContact N-O 2.86Å; D137-D154 PolarHBondContact N-OD1 2.87Å; D137-I155 WeakPolarHBondContact OD2-CB 3.5Å; D137-I155 PolarHBondContact OD2-N 2.91Å; D137-K252 VanDerWaalsContact CG-NZ 3.3Å; D137-K252 IonicContact OD1-NZ 2.76Å; D137-K252 PolarHBondContact OD1-NZ 3.07Å; D137-K252 IonicContact OD2-NZ 2.76Å; D137-K252 PolarHBondContact OD2-NZ 3.42Å |
| 138 | D | 98.7 | Very high | 98.6 | Very high | 52 Ų | 52 | 52.3 Ų | 52.3 | 28% | 0.278 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 140.8 | -179.8 | 177.6 | 58.3 | 0 | 0 | 0 | 111.4 | R140 D153 | D138-R140 IonicContact OD1-NE 3.15Å; D138-R140 IonicContact OD2-CZ 3.87Å; D138-R140 IonicContact OD2-NE 2.75Å; D138-R140 PolarHBondContact OD2-NE 3.15Å; D138-R140 IonicContact OD2-NH2 3.45Å; D138-R140 PolarHBondContact OD2-NH2 3.36Å; D138-D153 HydrophobicContact CB-CB 4.08Å; D138-D153 PolarHBondContact N-O 2.88Å; D138-D153 PolarHBondContact O-N 3.04Å |
| 139 | I | 98.8 | Very high | 98.6 | Very high | 58 Ų | 58 | 57.3 Ų | 57.3 | 30% | 0.297 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 120.6 | 173.5 | 179.8 | 56.8 | 0 | 0 | 0 | 109.1 | F141 V150 I152 T253 | I139-F141 HydrophobicContact CD1-CD1 4.32Å; I139-F141 HydrophobicContact CG1-CD1 4.06Å; I139-F141 HydrophobicContact CG1-CE1 4.31Å; I139-V150 HydrophobicContact CD1-CG2 4.33Å; I139-I152 HydrophobicContact CD1-CG1 3.74Å; I139-T253 HydrophobicContact CB-CG2 4.39Å; I139-T253 HydrophobicContact CG2-CG2 3.73Å |
| 140 | R | 98.7 | Very high | 98.6 | Very high | 142 Ų | 142 | 62.2 Ų | 62.2 | 54% | 0.536 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 133.9 | 177.2 | -71.1 | 173.5 | -72.6 | 160.7 | -0.9 | 110.1 | D138 V150 A151 | D138-R140 IonicContact OD1-NE 3.15Å; D138-R140 IonicContact OD2-CZ 3.87Å; D138-R140 IonicContact OD2-NE 2.75Å; D138-R140 PolarHBondContact OD2-NE 3.15Å; D138-R140 IonicContact OD2-NH2 3.45Å; D138-R140 PolarHBondContact OD2-NH2 3.36Å; R140-V150 CarbonylContact O-C 3.53Å; R140-V150 WeakPolarHBondContact O-CA 3.4Å; R140-A151 PolarHBondContact N-O 2.75Å; R140-A151 PolarHBondContact O-N 2.75Å |
| 141 | F | 98.7 | Very high | 98.6 | Very high | 157 Ų | 157 | 61.7 Ų | 61.7 | 69% | 0.689 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 160.2 | 175.9 | 58.6 | -92 | 0 | 0 | 0 | 110.6 | I139 H149 V150 | I139-F141 HydrophobicContact CD1-CD1 4.32Å; I139-F141 HydrophobicContact CG1-CD1 4.06Å; I139-F141 HydrophobicContact CG1-CE1 4.31Å; F141-H149 VanDerWaalsContact CA-O 3.27Å; F141-H149 WeakPolarHBondContact CA-O 3.29Å; F141-H149 WeakPolarHBondContact CB-O 3.45Å; F141-V150 HydrophobicContact CB-CB 4.27Å; F141-V150 HydrophobicContact CB-CG2 4.28Å |
| 142 | G | 98.3 | Very high | 98.6 | Very high | 29 Ų | 29 | 63.2 Ų | 63.2 | 30% | 0.299 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.3 | 156.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S148 H149 | G142-S148 CarbonylContact O-C 3.52Å; G142-S148 WeakPolarHBondContact O-CA 3.34Å; G142-H149 PolarHBondContact N-O 2.78Å; G142-H149 VanDerWaalsContact N-O 3.1Å; G142-H149 PolarHBondContact O-N 2.96Å |
| 143 | S | 97.8 | Very high | 98.6 | Very high | 74 Ų | 74 | 65 Ų | 65 | 52% | 0.517 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 128.3 | 172.1 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | ||
| 144 | S | 98.4 | Very high | 98.6 | Very high | 70 Ų | 70 | 65 Ų | 65 | 49% | 0.49 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 173.1 | -179.4 | 71.5 | 0 | 0 | 0 | 0 | 109.4 | S146 G147 | S144-S146 PolarHBondContact O-N 3.05Å; S144-S146 VanDerWaalsContact O-N 3.17Å; S144-S146 PolarHBondContact OG-N 3.37Å; S144-S146 PolarHBondContact OG-OG 2.6Å; S144-G147 PolarHBondContact N-O 3.02Å; S144-G147 PolarHBondContact O-N 2.82Å; S144-G147 PolarHBondContact OG-O 3Å |
| 145 | I | 98.3 | Very high | 98.6 | Very high | 181 Ų | 181 | 68.9 Ų | 68.9 | 93% | 0.928 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -31.4 | 177.3 | -167.3 | 170.3 | 0 | 0 | 0 | 113.3 | ||
| 146 | S | 98.1 | Very high | 98.6 | Very high | 114 Ų | 114 | 69 Ų | 69 | 80% | 0.797 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 0.2 | -177.1 | 60.6 | 0 | 0 | 0 | 0 | 114.2 | S144 | S144-S146 PolarHBondContact O-N 3.05Å; S144-S146 VanDerWaalsContact O-N 3.17Å; S144-S146 PolarHBondContact OG-N 3.37Å; S144-S146 PolarHBondContact OG-OG 2.6Å |
| 147 | G | 98.2 | Very high | 98.6 | Very high | 36 Ų | 36 | 68.8 Ų | 68.8 | 37% | 0.371 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 149.5 | 175.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S144 | S144-G147 PolarHBondContact N-O 3.02Å; S144-G147 PolarHBondContact O-N 2.82Å; S144-G147 PolarHBondContact OG-O 3Å |
| 148 | S | 98.5 | Very high | 98.6 | Very high | 39 Ų | 39 | 66.6 Ų | 66.6 | 27% | 0.273 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 153.7 | -179.7 | 61.2 | 0 | 0 | 0 | 0 | 111 | G142 | G142-S148 CarbonylContact O-C 3.52Å; G142-S148 WeakPolarHBondContact O-CA 3.34Å |
| 149 | H | 98.7 | Very high | 98.5 | Very high | 112 Ų | 112 | 69 Ų | 69 | 52% | 0.519 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 161.8 | 175.8 | 72.7 | -74.9 | 0 | 0 | 0 | 111.8 | F141 G142 | F141-H149 VanDerWaalsContact CA-O 3.27Å; F141-H149 WeakPolarHBondContact CA-O 3.29Å; F141-H149 WeakPolarHBondContact CB-O 3.45Å; G142-H149 PolarHBondContact N-O 2.78Å; G142-H149 VanDerWaalsContact N-O 3.1Å; G142-H149 PolarHBondContact O-N 2.96Å |
| 150 | V | 98.7 | Very high | 98.5 | Very high | 104 Ų | 104 | 66.6 Ų | 66.6 | 63% | 0.63 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 137 | 166.2 | 58.3 | 0 | 0 | 0 | 0 | 108.5 | I139 R140 F141 | I139-V150 HydrophobicContact CD1-CG2 4.33Å; R140-V150 CarbonylContact O-C 3.53Å; R140-V150 WeakPolarHBondContact O-CA 3.4Å; F141-V150 HydrophobicContact CB-CB 4.27Å; F141-V150 HydrophobicContact CB-CG2 4.28Å |
| 151 | A | 98.7 | Very high | 98.5 | Very high | 34 Ų | 34 | 64 Ų | 64 | 28% | 0.281 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 123.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | R140 | R140-A151 PolarHBondContact N-O 2.75Å; R140-A151 PolarHBondContact O-N 2.75Å |
| 152 | I | 98.8 | Very high | 98.5 | Very high | 33 Ų | 33 | 61.4 Ų | 61.4 | 17% | 0.169 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 137.7 | 175.5 | -68.7 | 161.5 | 0 | 0 | 0 | 106.9 | F136 I139 W159 P260 M261 | F136-I152 HydrophobicContact CD1-CG2 3.74Å; F136-I152 HydrophobicContact CD2-CG2 3.87Å; F136-I152 HydrophobicContact CE1-CG2 3.68Å; F136-I152 HydrophobicContact CE2-CD1 4.28Å; F136-I152 HydrophobicContact CE2-CG1 4.28Å; F136-I152 HydrophobicContact CE2-CG2 3.82Å; F136-I152 HydrophobicContact CG-CG2 3.84Å; F136-I152 HydrophobicContact CZ-CD1 4.4Å; F136-I152 HydrophobicContact CZ-CG2 3.74Å; I139-I152 HydrophobicContact CD1-CG1 3.74Å; I152-W159 HydrophobicContact CG2-CH2 4.42Å; I152-W159 HydrophobicContact CG2-CZ2 4.39Å; I152-P260 HydrophobicContact CD1-CB 4.05Å; I152-P260 WeakPolarHBondContact CD1-O 3.25Å; I152-M261 HydrophobicContact CD1-CG 3.86Å |
| 153 | D | 98.9 | Very high | 98.5 | Very high | 52 Ų | 52 | 62.3 Ų | 62.3 | 28% | 0.278 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 143.7 | 171.2 | -151.4 | 16.1 | 0 | 0 | 0 | 112.1 | D137 D138 W159 N160 | D137-D153 PolarHBondContact N-O 2.86Å; D138-D153 HydrophobicContact CB-CB 4.08Å; D138-D153 PolarHBondContact N-O 2.88Å; D138-D153 PolarHBondContact O-N 3.04Å; D153-W159 PolarHBondContact OD1-NE1 2.96Å; D153-N160 PolarHBondContact OD1-ND2 2.95Å |
| 154 | D | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 40% | 0.397 | C | S | . | . | trans | -155.3 | 149 | 174.1 | -176.1 | 71 | 0 | 0 | 0 | 109.9 | F136 D137 E156 G157 N160 A217 K252 | F136-D154 HydrophobicContact CD1-CB 4.27Å; D137-D154 PolarHBondContact N-OD1 2.87Å; D154-E156 PolarHBondContact O-N 2.7Å; D154-E156 VanDerWaalsContact O-N 3.16Å; D154-E156 VanDerWaalsContact OD2-CB 3.23Å; D154-E156 WeakPolarHBondContact OD2-CB 3.37Å; D154-E156 PolarHBondContact OD2-N 3.38Å; D154-G157 PolarHBondContact O-N 2.73Å; D154-N160 PolarHBondContact O-ND2 3.41Å; D154-A217 HydrophobicContact CB-CB 4.05Å; D154-K252 IonicContact OD1-NZ 3.5Å; D154-K252 PolarHBondContact OD1-NZ 3.45Å | ||
| 155 | I | 98.5 | Very high | 98.5 | Very high | 81 Ų | 81 | 68.5 Ų | 68.5 | 42% | 0.415 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -31.3 | 177.7 | -165.7 | 167.1 | 0 | 0 | 0 | 113.3 | D137 R173 | D137-I155 WeakPolarHBondContact OD2-CB 3.5Å; D137-I155 PolarHBondContact OD2-N 2.91Å; I155-R173 WeakPolarHBondContact O-CD 3.39Å; I155-R173 PolarHBondContact O-NE 3.35Å |
| 156 | E | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 70.1 Ų | 70.1 | 1% | 0.014 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -13.2 | 176.8 | -67.4 | -173.8 | 177 | 0 | 0 | 114 | D154 A158 P174 S188 H212 T216 G218 | D154-E156 PolarHBondContact O-N 2.7Å; D154-E156 VanDerWaalsContact O-N 3.16Å; D154-E156 VanDerWaalsContact OD2-CB 3.23Å; D154-E156 WeakPolarHBondContact OD2-CB 3.37Å; D154-E156 PolarHBondContact OD2-N 3.38Å; E156-A158 PolarHBondContact O-N 2.91Å; E156-P174 HydrophobicContact CB-CG 3.88Å; E156-P174 HydrophobicContact CG-CG 4.42Å; E156-S188 VanDerWaalsContact CD-OG 3.29Å; E156-S188 WeakPolarHBondContact CG-OG 3.38Å; E156-S188 WeakPolarHBondContact OE1-CA 3.3Å; E156-S188 WeakPolarHBondContact OE1-CB 3.27Å; E156-S188 PolarHBondContact OE1-N 3.23Å; E156-S188 PolarHBondContact OE1-OG 2.8Å; E156-H212 IonicContact OE1-NE2 2.82Å; E156-H212 IonicContact OE2-CD2 3.44Å; E156-H212 IonicContact OE2-CE1 3.41Å; E156-H212 IonicContact OE2-NE2 2.73Å; E156-H212 PolarHBondContact OE2-NE2 3.35Å; E156-T216 PolarHBondContact O-OG1 3.21Å; E156-T216 VanDerWaalsContact O-OG1 3.06Å; E156-G218 VanDerWaalsContact OE2-CA 3.31Å; E156-G218 WeakPolarHBondContact OE2-CA 3.3Å; E156-G218 PolarHBondContact OE2-N 2.88Å |
| 157 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | trans | -56.3 | 123.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D154 W159 N160 R173 | D154-G157 PolarHBondContact O-N 2.73Å; G157-W159 PolarHBondContact O-N 3.17Å; G157-N160 WeakPolarHBondContact O-CB 3.28Å; G157-N160 PolarHBondContact O-N 3.37Å; G157-R173 VanDerWaalsContact O-CD 3.3Å; G157-R173 WeakPolarHBondContact O-CD 3.38Å | ||
| 158 | A | 98.6 | Very high | 98.3 | Very high | 27 Ų | 27 | 67.6 Ų | 67.6 | 22% | 0.223 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -56.2 | -28.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E156 N160 S161 V176 T216 | E156-A158 PolarHBondContact O-N 2.91Å; A158-N160 PolarHBondContact O-N 3.05Å; A158-S161 WeakPolarHBondContact O-CB 3.38Å; A158-S161 PolarHBondContact O-N 3.26Å; A158-S161 PolarHBondContact O-OG 3.35Å; A158-V176 HydrophobicContact CB-CG2 4.43Å; A158-T216 HydrophobicContact CB-CG2 4.28Å; A158-T216 PolarHBondContact N-OG1 3.23Å |
| 159 | W | 98.6 | Very high | 98.3 | Very high | 103 Ų | 103 | 68.3 Ų | 68.3 | 39% | 0.39 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -64 | -22.4 | 173.8 | 57.1 | 85.3 | 0 | 0 | 0 | 113.5 | I152 D153 G157 S161 T216 A217 M261 | I152-W159 HydrophobicContact CG2-CH2 4.42Å; I152-W159 HydrophobicContact CG2-CZ2 4.39Å; D153-W159 PolarHBondContact OD1-NE1 2.96Å; G157-W159 PolarHBondContact O-N 3.17Å; W159-S161 PolarHBondContact O-N 3.46Å; W159-T216 HydrophobicContact CZ3-CG2 4.07Å; W159-A217 HydrophobicContact CH2-CB 3.41Å; W159-A217 VanDerWaalsContact CH2-CB 3.41Å; W159-A217 HydrophobicContact CZ2-CB 4.06Å; W159-A217 HydrophobicContact CZ3-CB 4.12Å; W159-M261 HydrophobicContact CH2-SD 3.52Å; W159-M261 VanDerWaalsContact CH2-SD 3.52Å; W159-M261 HydrophobicContact CZ3-SD 3.68Å |
| 160 | N | 98.7 | Very high | 98.3 | Very high | 6 Ų | 6 | 70.5 Ų | 70.5 | 3% | 0.032 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -82.1 | 6.2 | 177.2 | -75.8 | -35.4 | 0 | 0 | 0 | 114.5 | D153 D154 G157 A158 S162 T163 N169 R173 | D153-N160 PolarHBondContact OD1-ND2 2.95Å; D154-N160 PolarHBondContact O-ND2 3.41Å; G157-N160 WeakPolarHBondContact O-CB 3.28Å; G157-N160 PolarHBondContact O-N 3.37Å; A158-N160 PolarHBondContact O-N 3.05Å; N160-S162 PolarHBondContact O-N 2.86Å; N160-T163 WeakPolarHBondContact CA-OG1 3.4Å; N160-T163 PolarHBondContact O-N 2.79Å; N160-T163 VanDerWaalsContact O-N 3.17Å; N160-T163 WeakPolarHBondContact OD1-CB 3.36Å; N160-T163 PolarHBondContact OD1-OG1 3.21Å; N160-N169 PolarHBondContact O-ND2 3.23Å; N160-R173 VanDerWaalsContact O-CZ 3.27Å; N160-R173 PolarHBondContact O-NH1 2.97Å; N160-R173 PolarHBondContact O-NH2 3.01Å |
| 161 | S | 98.2 | Very high | 98.2 | Very high | 87 Ų | 87 | 68 Ų | 68 | 61% | 0.608 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -57.9 | -29.5 | 171.6 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | A158 W159 | A158-S161 WeakPolarHBondContact O-CB 3.38Å; A158-S161 PolarHBondContact O-N 3.26Å; A158-S161 PolarHBondContact O-OG 3.35Å; W159-S161 PolarHBondContact O-N 3.46Å |
| 162 | S | 98.3 | Very high | 98.2 | Very high | 103 Ų | 103 | 71.9 Ų | 71.9 | 72% | 0.72 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -99.2 | -5.8 | 176.5 | 52.7 | 0 | 0 | 0 | 0 | 114.8 | N160 | N160-S162 PolarHBondContact O-N 2.86Š|
| 163 | T | 98.5 | Very high | 98.2 | Very high | 48 Ų | 48 | 72.2 Ų | 72.2 | 29% | 0.294 | 40% | 0.4 | S | S | . | . | trans | -70.3 | 135.9 | -173.7 | -63 | 0 | 0 | 0 | 0 | 111.3 | N160 Y165 N169 | N160-T163 WeakPolarHBondContact CA-OG1 3.4Å; N160-T163 PolarHBondContact O-N 2.79Å; N160-T163 VanDerWaalsContact O-N 3.17Å; N160-T163 WeakPolarHBondContact OD1-CB 3.36Å; N160-T163 PolarHBondContact OD1-OG1 3.21Å; T163-Y165 HydrophobicContact CG2-CD2 4.19Å; T163-Y165 HydrophobicContact CG2-CE2 3.74Å; T163-N169 PolarHBondContact O-ND2 2.96Å | ||
| 164 | Q | 98.3 | Very high | 98.2 | Very high | 191 Ų | 191 | 69.9 Ų | 69.9 | 89% | 0.893 | 39% | 0.388 | S | S | * | . | trans | -85.9 | 122.6 | 173.2 | -64.3 | -176.7 | 10 | 0 | 0 | 109.4 | ||||
| 165 | Y | 98.1 | Very high | 98.1 | Very high | 83 Ų | 83 | 72.9 Ų | 72.9 | 33% | 0.325 | 41% | 0.413 | S | S | . | . | trans | -106.8 | 147.2 | 172.2 | -68.7 | -94.9 | 0 | 0 | 0 | 109.2 | T163 G167 G168 N169 R173 | T163-Y165 HydrophobicContact CG2-CD2 4.19Å; T163-Y165 HydrophobicContact CG2-CE2 3.74Å; Y165-G167 PolarHBondContact O-N 2.96Å; Y165-G168 WeakPolarHBondContact O-CA 3.5Å; Y165-G168 PolarHBondContact O-N 3.13Å; Y165-N169 HydrophobicContact CD2-CB 4.08Å; Y165-R173 VanDerWaalsContact CE2-NH2 3.32Å | ||
| 166 | E | 96.7 | Very high | 98.1 | Very high | 215 Ų | 215 | 73 Ų | 73 | 100% | 1.005 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -41.3 | -179.2 | -172.1 | -178.8 | 178.4 | 0 | 0 | 112.4 | G168 | E166-G168 VanDerWaalsContact C-N 3.33Å; E166-G168 PolarHBondContact O-N 3.36Å |
| 167 | G | 96.7 | Very high | 97.9 | Very high | 60 Ų | 60 | 77 Ų | 77 | 62% | 0.619 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 8.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y165 K170 | Y165-G167 PolarHBondContact O-N 2.96Å; G167-K170 WeakPolarHBondContact O-CE 3.48Å; G167-K170 PolarHBondContact O-NZ 2.81Å |
| 168 | G | 97.7 | Very high | 97.8 | Very high | 37 Ų | 37 | 78.3 Ų | 78.3 | 38% | 0.381 | 45% | 0.448 | S | S | . | . | trans | 80.4 | 143.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y165 E166 K170 | Y165-G168 WeakPolarHBondContact O-CA 3.5Å; Y165-G168 PolarHBondContact O-N 3.13Å; E166-G168 VanDerWaalsContact C-N 3.33Å; E166-G168 PolarHBondContact O-N 3.36Å; G168-K170 VanDerWaalsContact O-CE 3.26Å; G168-K170 WeakPolarHBondContact O-CE 3.23Å; G168-K170 PolarHBondContact O-N 3.02Å | ||
| 169 | N | 98 | Very high | 97.8 | Very high | 54 Ų | 54 | 77 Ų | 77 | 29% | 0.289 | 44% | 0.438 | S | S | . | . | trans | -74.2 | 122 | -178.9 | -168.6 | -29.2 | 0 | 0 | 0 | 111.4 | N160 T163 Y165 G171 R173 | N160-N169 PolarHBondContact O-ND2 3.23Å; T163-N169 PolarHBondContact O-ND2 2.96Å; Y165-N169 HydrophobicContact CD2-CB 4.08Å; N169-G171 PolarHBondContact OD1-N 3.42Å; N169-R173 PolarHBondContact ND2-NH2 2.85Å; N169-R173 PolarHBondContact OD1-NH1 3.27Å; N169-R173 PolarHBondContact OD1-NH2 3.27Å | ||
| 170 | K | 98.1 | Very high | 97.7 | Very high | 158 Ų | 158 | 77 Ų | 77 | 69% | 0.687 | 44% | 0.438 | S | S | * | . | trans | -85.2 | -7.3 | -177.1 | -48.8 | -54.8 | 172.3 | -170.7 | 0 | 114.4 | G167 G168 H172 | G167-K170 WeakPolarHBondContact O-CE 3.48Å; G167-K170 PolarHBondContact O-NZ 2.81Å; G168-K170 VanDerWaalsContact O-CE 3.26Å; G168-K170 WeakPolarHBondContact O-CE 3.23Å; G168-K170 PolarHBondContact O-N 3.02Å; K170-H172 VanDerWaalsContact C-N 3.29Å; K170-H172 PolarHBondContact O-CD2 3.43Å; K170-H172 PolarHBondContact O-N 2.89Å | ||
| 171 | G | 97.4 | Very high | 97.6 | Very high | 52 Ų | 52 | 82.3 Ų | 82.3 | 54% | 0.536 | 46% | 0.461 | S | S | . | . | trans | 75.2 | -14.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | N169 R173 | N169-G171 PolarHBondContact OD1-N 3.42Å; G171-R173 PolarHBondContact O-N 2.84Å | ||
| 172 | H | 98.5 | Very high | 97.6 | Very high | 116 Ų | 116 | 80.2 Ų | 80.2 | 54% | 0.537 | 45% | 0.445 | S | S | . | . | trans | -86.2 | 101.2 | -179.7 | -62.7 | -73.1 | 0 | 0 | 0 | 110.9 | K170 P185 V186 | K170-H172 VanDerWaalsContact C-N 3.29Å; K170-H172 PolarHBondContact O-CD2 3.43Å; K170-H172 PolarHBondContact O-N 2.89Å; H172-P185 HydrophobicContact CB-CB 4.48Å; H172-P185 HydrophobicContact CB-CG 3.94Å; H172-V186 HydrophobicContact CB-CG2 4.18Å | ||
| 173 | R | 98.5 | Very high | 97.7 | Very high | 40 Ų | 40 | 80.8 Ų | 80.8 | 15% | 0.151 | 44% | 0.444 | C | S | . | . | trans | -135.5 | 144.9 | -178 | -67.1 | -175.3 | 179.8 | 74.9 | 4.2 | 111.6 | I155 G157 N160 Y165 N169 G171 A175 | I155-R173 WeakPolarHBondContact O-CD 3.39Å; I155-R173 PolarHBondContact O-NE 3.35Å; G157-R173 VanDerWaalsContact O-CD 3.3Å; G157-R173 WeakPolarHBondContact O-CD 3.38Å; N160-R173 VanDerWaalsContact O-CZ 3.27Å; N160-R173 PolarHBondContact O-NH1 2.97Å; N160-R173 PolarHBondContact O-NH2 3.01Å; Y165-R173 VanDerWaalsContact CE2-NH2 3.32Å; N169-R173 PolarHBondContact ND2-NH2 2.85Å; N169-R173 PolarHBondContact OD1-NH1 3.27Å; N169-R173 PolarHBondContact OD1-NH2 3.27Å; G171-R173 PolarHBondContact O-N 2.84Å; R173-A175 PolarHBondContact O-N 3.49Å | ||
| 174 | P | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 82 Ų | 82 | 2% | 0.019 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 131.8 | 168.4 | 27.6 | -33.1 | 0 | 0 | 0 | 109.7 | E156 V186 T216 | E156-P174 HydrophobicContact CB-CG 3.88Å; E156-P174 HydrophobicContact CG-CG 4.42Å; P174-V186 HydrophobicContact CB-CG1 4.32Å; P174-T216 WeakPolarHBondContact O-CB 3.37Å; P174-T216 PolarHBondContact O-OG1 3.4Å |
| 175 | A | 97.5 | Very high | 97.7 | Very high | 64 Ų | 64 | 77 Ų | 77 | 53% | 0.529 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 170.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | R173 K177 G178 | R173-A175 PolarHBondContact O-N 3.49Å; A175-K177 PolarHBondContact O-N 2.93Å; A175-G178 WeakPolarHBondContact O-CA 3.29Å; A175-G178 PolarHBondContact O-N 2.69Å |
| 176 | V | 97.6 | Very high | 97.7 | Very high | 83 Ų | 83 | 74.7 Ų | 74.7 | 50% | 0.503 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 127.4 | 168.5 | 176 | 0 | 0 | 0 | 0 | 109 | A158 G178 D264 | A158-V176 HydrophobicContact CB-CG2 4.43Å; V176-G178 PolarHBondContact O-N 3.4Å; V176-D264 WeakPolarHBondContact CA-OD2 3.26Å; V176-D264 HydrophobicContact CG1-CB 4.24Å |
| 177 | K | 95.2 | Very high | 97.8 | Very high | 86 Ų | 86 | 65 Ų | 65 | 37% | 0.374 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 19.9 | -171.4 | -59.4 | 171.7 | 173.8 | -71.6 | 0 | 115.2 | A175 V214 D264 N265 | A175-K177 PolarHBondContact O-N 2.93Å; K177-V214 CarbonylContact C-O 2.92Å; K177-V214 VanDerWaalsContact CA-O 3.27Å; K177-V214 WeakPolarHBondContact CA-O 3.36Å; K177-V214 HydrophobicContact CB-CG1 3.9Å; K177-V214 HydrophobicContact CG-CG1 4.22Å; K177-D264 WeakPolarHBondContact CA-OD1 3.48Å; K177-D264 WeakPolarHBondContact CG-OD1 3.23Å; K177-D264 PolarHBondContact N-OD1 3.01Å; K177-D264 VanDerWaalsContact N-OD1 3.12Å; K177-D264 PolarHBondContact N-OD2 2.72Å; K177-N265 PolarHBondContact NZ-OD1 2.69Å |
| 178 | G | 96.7 | Very high | 97.9 | Very high | 28 Ų | 28 | 64.9 Ų | 64.9 | 29% | 0.289 | 38% | 0.376 | S | S | . | . | trans | -107.6 | 7.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A175 V176 P182 V214 | A175-G178 WeakPolarHBondContact O-CA 3.29Å; A175-G178 PolarHBondContact O-N 2.69Å; V176-G178 PolarHBondContact O-N 3.4Å; G178-P182 VanDerWaalsContact O-CG 3.24Å; G178-P182 WeakPolarHBondContact O-CG 3.45Å; G178-V214 PolarHBondContact N-O 3.03Å | ||
| 179 | G | 97.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | trans | -80.5 | -10.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | F181 P182 H212 E213 V214 | G179-F181 PolarHBondContact O-N 3.09Å; G179-P182 VanDerWaalsContact C-CD 3.46Å; G179-P182 WeakPolarHBondContact O-CD 2.9Å; G179-H212 WeakPolarHBondContact O-CB 3.42Å; G179-H212 VanDerWaalsContact O-CG 3.32Å; G179-H212 PolarHBondContact O-ND1 2.92Å; G179-E213 CarbonylContact C-O 3.52Å; G179-E213 VanDerWaalsContact CA-O 3.25Å; G179-E213 WeakPolarHBondContact CA-O 3.16Å; G179-E213 VanDerWaalsContact O-O 3.14Å; G179-V214 PolarHBondContact N-O 3.35Å | ||
| 180 | Y | 96.9 | Very high | 97.9 | Very high | 101 Ų | 101 | 64.2 Ų | 64.2 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -75.6 | 88.9 | -169.8 | -148.4 | -110 | 0 | 0 | 0 | 113.1 | P182 E213 V214 | Y180-P182 WeakPolarHBondContact O-CD 3.48Å; Y180-E213 WeakPolarHBondContact CE2-OE1 3.07Å; Y180-E213 PolarHBondContact N-O 3.43Å; Y180-V214 HydrophobicContact CD2-CB 4.44Å; Y180-V214 HydrophobicContact CD2-CG2 3.5Å; Y180-V214 HydrophobicContact CE2-CG2 4.07Å; Y180-V214 HydrophobicContact CG-CG2 4.06Å |
| 181 | F | 97.8 | Very high | 98 | Very high | 118 Ų | 118 | 62.8 Ų | 62.8 | 52% | 0.518 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 74.7 | 15.7 | 174.8 | -44.3 | -31.4 | 0 | 0 | 0 | 120.4 | G179 V183 H211 | G179-F181 PolarHBondContact O-N 3.09Å; F181-V183 PolarHBondContact O-N 2.98Å; F181-H211 HydrophobicContact CD1-CB 4.02Å; F181-H211 HydrophobicContact CE1-CB 3.54Å; F181-H211 AromaticContact CE1-CG 3.59Å; F181-H211 AromaticContact CE1-ND1 3.68Å |
| 182 | P | 98.3 | Very high | 98 | Very high | 43 Ų | 43 | 60.9 Ų | 60.9 | 28% | 0.279 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 135 | 162.4 | -21.3 | 33.1 | 0 | 0 | 0 | 110.7 | G178 G179 Y180 V186 D187 | G178-P182 VanDerWaalsContact O-CG 3.24Å; G178-P182 WeakPolarHBondContact O-CG 3.45Å; G179-P182 VanDerWaalsContact C-CD 3.46Å; G179-P182 WeakPolarHBondContact O-CD 2.9Å; Y180-P182 WeakPolarHBondContact O-CD 3.48Å; P182-V186 HydrophobicContact CB-CB 3.74Å; P182-V186 HydrophobicContact CB-CG1 3.56Å; P182-V186 HydrophobicContact CB-CG2 4.41Å; P182-V186 HydrophobicContact CG-CG1 4Å; P182-D187 VanDerWaalsContact O-CB 3.27Å; P182-D187 WeakPolarHBondContact O-CB 3.33Å |
| 183 | V | 98.6 | Very high | 98.1 | Very high | 115 Ų | 115 | 55.5 Ų | 55.5 | 70% | 0.697 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 158.3 | 175.7 | -64.1 | 0 | 0 | 0 | 0 | 111.2 | F181 V186 | F181-V183 PolarHBondContact O-N 2.98Å; V183-V186 PolarHBondContact O-N 3.32Å |
| 184 | P | 98.7 | Very high | 98.1 | Very high | 74 Ų | 74 | 55.3 Ų | 55.3 | 48% | 0.481 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 144.3 | 169.3 | -28.5 | 35.6 | 0 | 0 | 0 | 112.3 | D187 Q190 | P184-D187 HydrophobicContact CG-CB 4.47Å; P184-Q190 HydrophobicContact CG-CB 4.35Å |
| 185 | P | 98.1 | Very high | 98.1 | Very high | 86 Ų | 86 | 58.8 Ų | 58.8 | 56% | 0.558 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -91.3 | 8.1 | 12.7 | 37.5 | -37.7 | 0 | 0 | 0 | 114.9 | H172 | H172-P185 HydrophobicContact CB-CB 4.48Å; H172-P185 HydrophobicContact CB-CG 3.94Å |
| 186 | V | 98.7 | Very high | 98.2 | Very high | 34 Ų | 34 | 55.7 Ų | 55.7 | 21% | 0.206 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -67.3 | -46.5 | 176.1 | 177.5 | 0 | 0 | 0 | 0 | 110.3 | H172 P174 P182 V183 | H172-V186 HydrophobicContact CB-CG2 4.18Å; P174-V186 HydrophobicContact CB-CG1 4.32Å; P182-V186 HydrophobicContact CB-CB 3.74Å; P182-V186 HydrophobicContact CB-CG1 3.56Å; P182-V186 HydrophobicContact CB-CG2 4.41Å; P182-V186 HydrophobicContact CG-CG1 4Å; V183-V186 PolarHBondContact O-N 3.32Å |
| 187 | D | 98.6 | Very high | 98.2 | Very high | 13 Ų | 13 | 52.4 Ų | 52.4 | 7% | 0.07 | 29% | 0.29 | C | S | . | . | trans | -80.4 | 114.7 | 166 | 168.6 | 22.1 | 0 | 0 | 0 | 109.6 | P182 P184 A189 R193 H212 | P182-D187 VanDerWaalsContact O-CB 3.27Å; P182-D187 WeakPolarHBondContact O-CB 3.33Å; P184-D187 HydrophobicContact CG-CB 4.47Å; D187-A189 PolarHBondContact OD1-N 3.13Å; D187-R193 IonicContact OD1-CZ 3.55Å; D187-R193 IonicContact OD1-NH1 2.89Å; D187-R193 PolarHBondContact OD1-NH1 3.23Å; D187-R193 IonicContact OD1-NH2 2.8Å; D187-R193 PolarHBondContact OD1-NH2 3.09Å; D187-R193 IonicContact OD2-CZ 3.83Å; D187-R193 IonicContact OD2-NH1 3.74Å; D187-R193 PolarHBondContact OD2-NH1 2.75Å; D187-R193 IonicContact OD2-NH2 3.38Å; D187-R193 PolarHBondContact OD2-NH2 3.43Å; D187-H212 IonicContact OD1-CD2 3.63Å | ||
| 188 | S | 98.5 | Very high | 98.4 | Very high | 56 Ų | 56 | 52.7 Ų | 52.7 | 39% | 0.392 | 30% | 0.295 | S | S | . | . | trans | -92.6 | -5.6 | -177.9 | 74.6 | 0 | 0 | 0 | 0 | 113.8 | E156 | E156-S188 VanDerWaalsContact CD-OG 3.29Å; E156-S188 WeakPolarHBondContact CG-OG 3.38Å; E156-S188 WeakPolarHBondContact OE1-CA 3.3Å; E156-S188 WeakPolarHBondContact OE1-CB 3.27Å; E156-S188 PolarHBondContact OE1-N 3.23Å; E156-S188 PolarHBondContact OE1-OG 2.8Å | ||
| 189 | A | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | trans | -113.4 | 12.2 | -163.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L135 D187 D191 I192 R193 | L135-A189 HydrophobicContact CD1-CB 4.33Å; D187-A189 PolarHBondContact OD1-N 3.13Å; A189-D191 PolarHBondContact O-N 2.95Å; A189-I192 PolarHBondContact O-N 3.43Å; A189-R193 WeakPolarHBondContact O-CB 3.45Å; A189-R193 WeakPolarHBondContact O-CG 3.49Å; A189-R193 PolarHBondContact O-N 3.36Å | ||
| 190 | Q | 98.8 | Very high | 98.6 | Very high | 76 Ų | 76 | 51.5 Ų | 51.5 | 36% | 0.355 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -54.3 | -48.5 | 179.8 | -179.2 | 64 | 7.5 | 0 | 0 | 113 | P184 S194 H210 | P184-Q190 HydrophobicContact CG-CB 4.35Å; Q190-S194 WeakPolarHBondContact O-CB 3.41Å; Q190-S194 PolarHBondContact O-N 3.41Å; Q190-S194 PolarHBondContact O-OG 3.25Å; Q190-H210 PolarHBondContact OE1-CE1 3.21Å |
| 191 | D | 98.7 | Very high | 98.7 | Very high | 127 Ų | 127 | 51.5 Ų | 51.5 | 68% | 0.679 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -70 | -40.2 | -178.7 | -66.7 | -16.9 | 0 | 0 | 0 | 111.4 | A189 S194 E195 | A189-D191 PolarHBondContact O-N 2.95Å; D191-S194 PolarHBondContact O-N 3.21Å; D191-E195 PolarHBondContact O-N 2.92Å |
| 192 | I | 98.7 | Very high | 98.7 | Very high | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.062 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.8 | -48.4 | 177.6 | -58.7 | -178 | 0 | 0 | 0 | 110.5 | L135 A189 S194 E195 M196 V246 F250 K252 | L135-I192 HydrophobicContact CD1-CG2 3.97Å; A189-I192 PolarHBondContact O-N 3.43Å; I192-S194 VanDerWaalsContact C-N 3.31Å; I192-S194 PolarHBondContact O-N 3.1Å; I192-E195 PolarHBondContact O-N 3.11Å; I192-M196 HydrophobicContact CG2-CE 3.63Å; I192-M196 HydrophobicContact CG2-SD 4.43Å; I192-M196 WeakPolarHBondContact O-CG 3.38Å; I192-M196 PolarHBondContact O-N 3.29Å; I192-V246 HydrophobicContact CG2-CG1 4.29Å; I192-F250 HydrophobicContact CD1-CB 4.11Å; I192-F250 HydrophobicContact CD1-CD1 3.99Å; I192-F250 HydrophobicContact CD1-CG 4.2Å; I192-F250 HydrophobicContact CG1-CB 4.34Å; I192-F250 HydrophobicContact CG1-CD1 3.54Å; I192-F250 HydrophobicContact CG1-CE1 3.85Å; I192-F250 HydrophobicContact CG1-CG 3.89Å; I192-F250 HydrophobicContact CG1-CZ 4.47Å; I192-K252 HydrophobicContact CD1-CD 3.98Å |
| 193 | R | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 1% | 0.011 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 177.3 | -67.9 | -169.1 | -57.8 | -85.4 | -3.1 | 111.4 | D187 A189 M196 C197 H210 H211 N220 | D187-R193 IonicContact OD1-CZ 3.55Å; D187-R193 IonicContact OD1-NH1 2.89Å; D187-R193 PolarHBondContact OD1-NH1 3.23Å; D187-R193 IonicContact OD1-NH2 2.8Å; D187-R193 PolarHBondContact OD1-NH2 3.09Å; D187-R193 IonicContact OD2-CZ 3.83Å; D187-R193 IonicContact OD2-NH1 3.74Å; D187-R193 PolarHBondContact OD2-NH1 2.75Å; D187-R193 IonicContact OD2-NH2 3.38Å; D187-R193 PolarHBondContact OD2-NH2 3.43Å; A189-R193 WeakPolarHBondContact O-CB 3.45Å; A189-R193 WeakPolarHBondContact O-CG 3.49Å; A189-R193 PolarHBondContact O-N 3.36Å; R193-M196 WeakPolarHBondContact O-CB 3.24Å; R193-M196 PolarHBondContact O-N 2.93Å; R193-C197 PolarHBondContact O-N 3.16Å; R193-C197 PolarHBondContact O-SG 3.29Å; R193-H210 HydrophobicContact CB-CB 4.33Å; R193-H210 WeakPolarHBondContact CB-ND1 3.5Å; R193-H210 PolarHBondContact NE-ND1 3.46Å; R193-H211 VanDerWaalsContact CD-O 3.26Å; R193-H211 WeakPolarHBondContact CD-O 3.33Å; R193-N220 HydrophobicContact CG-CB 4.34Å; R193-N220 PolarHBondContact NH1-ND2 2.9Å |
| 194 | S | 98.9 | Very high | 98.7 | Very high | 37 Ų | 37 | 47.6 Ų | 47.6 | 26% | 0.259 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 176.9 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | Q190 D191 I192 C197 L198 | Q190-S194 WeakPolarHBondContact O-CB 3.41Å; Q190-S194 PolarHBondContact O-N 3.41Å; Q190-S194 PolarHBondContact O-OG 3.25Å; D191-S194 PolarHBondContact O-N 3.21Å; I192-S194 VanDerWaalsContact C-N 3.31Å; I192-S194 PolarHBondContact O-N 3.1Å; S194-C197 WeakPolarHBondContact O-CB 3.34Å; S194-C197 PolarHBondContact O-N 2.94Å; S194-L198 WeakPolarHBondContact O-CG 3.33Å; S194-L198 PolarHBondContact O-N 3.3Å |
| 195 | E | 98.8 | Very high | 98.7 | Very high | 75 Ų | 75 | 44.3 Ų | 44.3 | 35% | 0.35 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 174 | -175.4 | 68.7 | -177.6 | 0 | 0 | 111.5 | D191 I192 C197 L198 V199 V246 F250 | D191-E195 PolarHBondContact O-N 2.92Å; I192-E195 PolarHBondContact O-N 3.11Å; E195-C197 VanDerWaalsContact C-N 3.28Å; E195-C197 PolarHBondContact O-N 3.39Å; E195-L198 PolarHBondContact O-N 3.39Å; E195-V199 HydrophobicContact CG-CG2 4.33Å; E195-V199 VanDerWaalsContact O-CG2 3.32Å; E195-V199 WeakPolarHBondContact O-CG2 3.31Å; E195-V199 PolarHBondContact O-N 2.84Å; E195-V246 HydrophobicContact CB-CG1 4.04Å; E195-V246 HydrophobicContact CG-CG1 3.85Å; E195-V246 HydrophobicContact CG-CG2 4.35Å; E195-F250 HydrophobicContact CB-CE2 4.2Å; E195-F250 HydrophobicContact CB-CZ 4.46Å; E195-F250 HydrophobicContact CG-CE2 4.1Å |
| 196 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.5 | -45.1 | 173 | -69.1 | 169.6 | 179.7 | 0 | 0 | 111.2 | F133 L135 I192 R193 V199 M200 V242 V243 V246 A247 | F133-M196 HydrophobicContact CE2-CE 4.17Å; F133-M196 HydrophobicContact CE2-SD 4Å; F133-M196 HydrophobicContact CZ-CE 4.49Å; F133-M196 HydrophobicContact CZ-SD 3.73Å; L135-M196 HydrophobicContact CD1-CE 4.21Å; L135-M196 HydrophobicContact CD2-CE 3.94Å; I192-M196 HydrophobicContact CG2-CE 3.63Å; I192-M196 HydrophobicContact CG2-SD 4.43Å; I192-M196 WeakPolarHBondContact O-CG 3.38Å; I192-M196 PolarHBondContact O-N 3.29Å; R193-M196 WeakPolarHBondContact O-CB 3.24Å; R193-M196 PolarHBondContact O-N 2.93Å; M196-V199 PolarHBondContact O-N 2.86Å; M196-M200 HydrophobicContact CB-CE 4.35Å; M196-M200 VanDerWaalsContact O-CB 3.32Å; M196-M200 WeakPolarHBondContact O-CB 3.42Å; M196-M200 WeakPolarHBondContact O-CG 3.29Å; M196-M200 PolarHBondContact O-N 3.48Å; M196-V242 HydrophobicContact CB-CG1 4.42Å; M196-V243 HydrophobicContact CE-CB 4.48Å; M196-V243 HydrophobicContact CE-CG1 4.15Å; M196-V243 HydrophobicContact SD-CG2 4.04Å; M196-V246 HydrophobicContact CE-CB 4.31Å; M196-V246 HydrophobicContact CE-CG1 4.28Å; M196-V246 HydrophobicContact CG-CB 3.82Å; M196-V246 HydrophobicContact CG-CG1 3.75Å; M196-V246 HydrophobicContact CG-CG2 4.22Å; M196-A247 HydrophobicContact CE-CB 4.33Å |
| 197 | C | 98.9 | Very high | 98.7 | Very high | 14 Ų | 14 | 42.2 Ų | 42.2 | 10% | 0.095 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60 | -50.2 | 177.1 | -63.2 | 0 | 0 | 0 | 0 | 112 | R193 S194 E195 V199 M200 E201 V207 | R193-C197 PolarHBondContact O-N 3.16Å; R193-C197 PolarHBondContact O-SG 3.29Å; S194-C197 WeakPolarHBondContact O-CB 3.34Å; S194-C197 PolarHBondContact O-N 2.94Å; E195-C197 VanDerWaalsContact C-N 3.28Å; E195-C197 PolarHBondContact O-N 3.39Å; C197-V199 VanDerWaalsContact C-N 3.32Å; C197-V199 PolarHBondContact O-N 3.19Å; C197-M200 PolarHBondContact O-N 2.72Å; C197-E201 WeakPolarHBondContact O-CG 3.33Å; C197-E201 PolarHBondContact O-N 3.41Å; C197-V207 HydrophobicContact CB-CG1 4.17Å; C197-V207 HydrophobicContact CB-CG2 4.13Å |
| 198 | L | 98.8 | Very high | 98.7 | Very high | 92 Ų | 92 | 47.6 Ų | 47.6 | 48% | 0.482 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.9 | -44.3 | -179.6 | -67.7 | 175.6 | 0 | 0 | 0 | 111.6 | S194 E195 E201 Q202 | S194-L198 WeakPolarHBondContact O-CG 3.33Å; S194-L198 PolarHBondContact O-N 3.3Å; E195-L198 PolarHBondContact O-N 3.39Å; L198-E201 PolarHBondContact O-N 3.16Å; L198-Q202 VanDerWaalsContact O-CG 3.26Å; L198-Q202 WeakPolarHBondContact O-CG 3.29Å; L198-Q202 PolarHBondContact O-N 3.17Å |
| 199 | V | 98.8 | Very high | 98.7 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -71.6 | -37.9 | -179.8 | -179.5 | 0 | 0 | 0 | 0 | 111.6 | P79 F80 E195 M196 C197 E201 Q202 M203 V242 V246 | P79-V199 HydrophobicContact CB-CG1 4.01Å; P79-V199 HydrophobicContact CG-CG1 3.43Å; P79-V199 VanDerWaalsContact CG-CG1 3.43Å; F80-V199 HydrophobicContact CE1-CG1 4.26Å; F80-V199 HydrophobicContact CE2-CG1 4.33Å; F80-V199 HydrophobicContact CZ-CG1 3.69Å; E195-V199 HydrophobicContact CG-CG2 4.33Å; E195-V199 VanDerWaalsContact O-CG2 3.32Å; E195-V199 WeakPolarHBondContact O-CG2 3.31Å; E195-V199 PolarHBondContact O-N 2.84Å; M196-V199 PolarHBondContact O-N 2.86Å; C197-V199 VanDerWaalsContact C-N 3.32Å; C197-V199 PolarHBondContact O-N 3.19Å; V199-E201 VanDerWaalsContact C-N 3.32Å; V199-E201 PolarHBondContact O-N 2.92Å; V199-Q202 PolarHBondContact O-N 2.68Å; V199-M203 WeakPolarHBondContact O-CG 3.31Å; V199-M203 PolarHBondContact O-N 3.13Å; V199-V242 HydrophobicContact CB-CG1 3.83Å; V199-V242 HydrophobicContact CG1-CG1 3.84Å; V199-V242 HydrophobicContact CG1-CG2 3.89Å; V199-V246 HydrophobicContact CG2-CG2 4.35Å |
| 200 | M | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.2 | -44.5 | 172.8 | -78.1 | 178.4 | -167.2 | 0 | 0 | 111.5 | M196 C197 M203 G204 L205 V207 V222 T224 Y239 V242 V243 | M196-M200 HydrophobicContact CB-CE 4.35Å; M196-M200 VanDerWaalsContact O-CB 3.32Å; M196-M200 WeakPolarHBondContact O-CB 3.42Å; M196-M200 WeakPolarHBondContact O-CG 3.29Å; M196-M200 PolarHBondContact O-N 3.48Å; C197-M200 PolarHBondContact O-N 2.72Å; M200-M203 CarbonylContact O-C 3.47Å; M200-M203 PolarHBondContact O-N 3.05Å; M200-M203 VanDerWaalsContact O-N 3.17Å; M200-G204 PolarHBondContact O-N 2.79Å; M200-L205 HydrophobicContact CB-CB 4.14Å; M200-L205 HydrophobicContact CB-CD2 4.23Å; M200-L205 HydrophobicContact CG-CD2 4.14Å; M200-L205 WeakPolarHBondContact O-CB 3.46Å; M200-L205 PolarHBondContact O-N 2.84Å; M200-L205 HydrophobicContact SD-CD2 4.35Å; M200-V207 HydrophobicContact CB-CG2 4.16Å; M200-V222 HydrophobicContact CE-CB 4.32Å; M200-V222 HydrophobicContact CE-CG1 4.42Å; M200-V222 HydrophobicContact CE-CG2 4.48Å; M200-V222 HydrophobicContact SD-CB 4.29Å; M200-V222 HydrophobicContact SD-CG1 3.76Å; M200-T224 HydrophobicContact SD-CG2 4.23Å; M200-Y239 HydrophobicContact CE-CD1 4.2Å; M200-Y239 HydrophobicContact CE-CD2 3.31Å; M200-Y239 HydrophobicContact CE-CE1 4.28Å; M200-Y239 HydrophobicContact CE-CE2 3.44Å; M200-Y239 VanDerWaalsContact CE-CE2 3.44Å; M200-Y239 HydrophobicContact CE-CG 3.73Å; M200-Y239 HydrophobicContact SD-CD2 3.56Å; M200-Y239 VanDerWaalsContact SD-CD2 3.56Å; M200-Y239 HydrophobicContact SD-CE2 3.81Å; M200-Y239 HydrophobicContact SD-CG 4.41Å; M200-V242 HydrophobicContact CE-CB 4.42Å; M200-V242 HydrophobicContact CE-CG1 4.36Å; M200-V242 HydrophobicContact CG-CB 4.05Å; M200-V242 HydrophobicContact CG-CG1 3.88Å; M200-V242 HydrophobicContact CG-CG2 4.26Å; M200-V243 HydrophobicContact CE-CG2 3.61Å |
| 201 | E | 98.8 | Very high | 98.7 | Very high | 100 Ų | 100 | 47.5 Ų | 47.5 | 47% | 0.467 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -67.1 | -38.9 | 177.5 | -68.6 | -168.7 | 157.2 | 0 | 0 | 112.7 | C197 L198 V199 M203 G204 L205 V207 | C197-E201 WeakPolarHBondContact O-CG 3.33Å; C197-E201 PolarHBondContact O-N 3.41Å; L198-E201 PolarHBondContact O-N 3.16Å; V199-E201 VanDerWaalsContact C-N 3.32Å; V199-E201 PolarHBondContact O-N 2.92Å; E201-M203 PolarHBondContact O-N 3.22Å; E201-G204 PolarHBondContact O-N 3.42Å; E201-L205 WeakPolarHBondContact CA-O 3.33Å; E201-V207 HydrophobicContact CG-CB 4.33Å; E201-V207 HydrophobicContact CG-CG2 3.91Å |
| 202 | Q | 98.4 | Very high | 98.7 | Very high | 130 Ų | 130 | 41.7 Ų | 41.7 | 61% | 0.607 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -59.2 | -32.7 | 171.6 | -71.9 | 166.7 | 28.9 | 0 | 0 | 112 | L198 V199 G204 | L198-Q202 VanDerWaalsContact O-CG 3.26Å; L198-Q202 WeakPolarHBondContact O-CG 3.29Å; L198-Q202 PolarHBondContact O-N 3.17Å; V199-Q202 PolarHBondContact O-N 2.68Å; Q202-G204 VanDerWaalsContact C-N 3.29Å |
| 203 | M | 98.7 | Very high | 98.6 | Very high | 8 Ų | 8 | 41.7 Ų | 41.7 | 4% | 0.039 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 9.3 | 176.1 | -63.6 | -169.6 | 76.1 | 0 | 0 | 114.1 | V76 P79 I87 V199 M200 E201 I238 Y241 V242 | V76-M203 HydrophobicContact CG1-CE 4.13Å; V76-M203 HydrophobicContact CG2-CB 4.21Å; V76-M203 HydrophobicContact CG2-CG 4.4Å; P79-M203 HydrophobicContact CG-CG 4.27Å; P79-M203 HydrophobicContact CG-SD 3.92Å; I87-M203 HydrophobicContact CD1-CE 3.66Å; V199-M203 WeakPolarHBondContact O-CG 3.31Å; V199-M203 PolarHBondContact O-N 3.13Å; M200-M203 CarbonylContact O-C 3.47Å; M200-M203 PolarHBondContact O-N 3.05Å; M200-M203 VanDerWaalsContact O-N 3.17Å; E201-M203 PolarHBondContact O-N 3.22Å; M203-I238 HydrophobicContact CB-CG2 3.71Å; M203-I238 HydrophobicContact CE-CG2 3.97Å; M203-I238 HydrophobicContact CG-CG2 4.41Å; M203-I238 HydrophobicContact SD-CG2 3.87Å; M203-Y241 HydrophobicContact CE-CD1 4.22Å; M203-Y241 HydrophobicContact CE-CE1 4.44Å; M203-Y241 HydrophobicContact SD-CD1 4.32Å; M203-V242 HydrophobicContact SD-CG2 3.54Å; M203-V242 VanDerWaalsContact SD-CG2 3.54Å |
| 204 | G | 98.2 | Very high | 98.5 | Very high | 56 Ų | 56 | 42.4 Ų | 42.4 | 58% | 0.577 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.3 | 3.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116 | M200 E201 Q202 | M200-G204 PolarHBondContact O-N 2.79Å; E201-G204 PolarHBondContact O-N 3.42Å; Q202-G204 VanDerWaalsContact C-N 3.29Å |
| 205 | L | 98.7 | Very high | 98.4 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | trans | -73 | 164.3 | 168.3 | -78.2 | 64 | 0 | 0 | 0 | 109.5 | M200 E201 T224 E235 I238 Y239 | M200-L205 HydrophobicContact CB-CB 4.14Å; M200-L205 HydrophobicContact CB-CD2 4.23Å; M200-L205 HydrophobicContact CG-CD2 4.14Å; M200-L205 WeakPolarHBondContact O-CB 3.46Å; M200-L205 PolarHBondContact O-N 2.84Å; M200-L205 HydrophobicContact SD-CD2 4.35Å; E201-L205 WeakPolarHBondContact CA-O 3.33Å; L205-T224 HydrophobicContact CD2-CG2 4.27Å; L205-E235 HydrophobicContact CD1-CB 4.15Å; L205-E235 HydrophobicContact CD1-CG 3.92Å; L205-E235 HydrophobicContact CD2-CB 4.3Å; L205-E235 HydrophobicContact CG-CB 4Å; L205-E235 HydrophobicContact CG-CG 3.89Å; L205-I238 HydrophobicContact CD1-CB 3.88Å; L205-I238 HydrophobicContact CD1-CD1 4.14Å; L205-I238 HydrophobicContact CD1-CG2 3.5Å; L205-I238 VanDerWaalsContact CD1-CG2 3.5Å; L205-Y239 HydrophobicContact CD2-CD2 4.47Å | ||
| 206 | V | 98.8 | Very high | 98.4 | Very high | 51 Ų | 51 | 37.2 Ų | 37.2 | 31% | 0.309 | 21% | 0.208 | S | C | . | . | trans | -122.5 | 115.4 | 171.3 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | T224 R225 | V206-T224 CarbonylContact O-C 3.47Å; V206-T224 WeakPolarHBondContact O-CA 3.38Å; V206-R225 HydrophobicContact CB-CB 4.09Å; V206-R225 HydrophobicContact CG1-CB 4.25Å; V206-R225 PolarHBondContact O-N 3.23Å | ||
| 207 | V | 98.8 | Very high | 98.4 | Very high | 26 Ų | 26 | 37.2 Ų | 37.2 | 16% | 0.158 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 137.4 | -178.4 | 178 | 0 | 0 | 0 | 0 | 109.4 | C197 M200 E201 V222 T224 | C197-V207 HydrophobicContact CB-CG1 4.17Å; C197-V207 HydrophobicContact CB-CG2 4.13Å; M200-V207 HydrophobicContact CB-CG2 4.16Å; E201-V207 HydrophobicContact CG-CB 4.33Å; E201-V207 HydrophobicContact CG-CG2 3.91Å; V207-V222 HydrophobicContact CG1-CG1 3.87Å; V207-V222 HydrophobicContact CG2-CG1 4.2Å; V207-T224 HydrophobicContact CG2-CG2 4.43Å |
| 208 | E | 98.5 | Very high | 98.4 | Very high | 125 Ų | 125 | 36.7 Ų | 36.7 | 58% | 0.584 | 20% | 0.204 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -37.2 | 176.5 | -65.2 | -172.5 | 155.2 | 0 | 0 | 111.7 | A223 R225 | E208-A223 PolarHBondContact N-O 2.99Å; E208-R225 HydrophobicContact CG-CB 4.02Å; E208-R225 WeakPolarHBondContact OE1-CA 3.31Å; E208-R225 WeakPolarHBondContact OE1-CB 3.3Å; E208-R225 WeakPolarHBondContact OE1-CG 3.48Å |
| 209 | A | 98.3 | Very high | 98.4 | Very high | 47 Ų | 47 | 32.3 Ų | 32.3 | 39% | 0.388 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 169.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V222 A223 | A209-V222 CarbonylContact O-C 3.29Å; A209-A223 HydrophobicContact CB-CB 4.26Å; A209-A223 PolarHBondContact N-O 2.59Å; A209-A223 PolarHBondContact O-N 3Å |
| 210 | H | 98.7 | Very high | 98.4 | Very high | 52 Ų | 52 | 32.1 Ų | 32.1 | 24% | 0.241 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 149.3 | 164.5 | 71 | 103.9 | 0 | 0 | 0 | 109.9 | Q190 R193 E221 V222 | Q190-H210 PolarHBondContact OE1-CE1 3.21Å; R193-H210 HydrophobicContact CB-CB 4.33Å; R193-H210 WeakPolarHBondContact CB-ND1 3.5Å; R193-H210 PolarHBondContact NE-ND1 3.46Å; H210-E221 WeakPolarHBondContact CA-O 3.25Å; H210-V222 HydrophobicContact CB-CB 4.41Å; H210-V222 HydrophobicContact CB-CG1 4.4Å; H210-V222 HydrophobicContact CB-CG2 3.94Å |
| 211 | H | 98.6 | Very high | 98.4 | Very high | 34 Ų | 34 | 32.5 Ų | 32.5 | 16% | 0.157 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 166.5 | 178.9 | 55 | 84.9 | 0 | 0 | 0 | 113.2 | F181 R193 E213 E221 | F181-H211 HydrophobicContact CD1-CB 4.02Å; F181-H211 HydrophobicContact CE1-CB 3.54Å; F181-H211 AromaticContact CE1-CG 3.59Å; F181-H211 AromaticContact CE1-ND1 3.68Å; R193-H211 VanDerWaalsContact CD-O 3.26Å; R193-H211 WeakPolarHBondContact CD-O 3.33Å; H211-E213 IonicContact CE1-OE1 3.65Å; H211-E213 PolarHBondContact CE1-OE1 3.47Å; H211-E213 VanDerWaalsContact CE1-OE1 3.24Å; H211-E213 IonicContact ND1-OE1 3.54Å; H211-E221 IonicContact CE1-OE2 2.67Å; H211-E221 PolarHBondContact N-O 3.25Å; H211-E221 IonicContact NE2-OE2 3.56Å; H211-E221 PolarHBondContact O-N 3.24Å; H211-E221 VanDerWaalsContact O-N 3.09Å |
| 212 | H | 98.5 | Very high | 98.4 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.019 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 143 | 162.3 | -160.2 | -66.3 | 0 | 0 | 0 | 109.7 | E156 G179 D187 A215 Q219 | E156-H212 IonicContact OE1-NE2 2.82Å; E156-H212 IonicContact OE2-CD2 3.44Å; E156-H212 IonicContact OE2-CE1 3.41Å; E156-H212 IonicContact OE2-NE2 2.73Å; E156-H212 PolarHBondContact OE2-NE2 3.35Å; G179-H212 WeakPolarHBondContact O-CB 3.42Å; G179-H212 VanDerWaalsContact O-CG 3.32Å; G179-H212 PolarHBondContact O-ND1 2.92Å; D187-H212 IonicContact OD1-CD2 3.63Å; H212-A215 PolarHBondContact CE1-O 2.9Å; H212-Q219 PolarHBondContact CE1-O 3.45Å; H212-Q219 PolarHBondContact ND1-O 3.14Å; H212-Q219 VanDerWaalsContact ND1-O 3.16Å; H212-Q219 PolarHBondContact NE2-O 3.02Å |
| 213 | E | 97.4 | Very high | 98.4 | Very high | 12 Ų | 12 | 22.3 Ų | 22.3 | 6% | 0.056 | 14% | 0.137 | C | C | . | . | trans | -99.5 | -174.5 | 179.7 | -103.8 | -58.9 | 147.9 | 0 | 0 | 111.7 | E132 G179 Y180 H211 Q219 E221 | E132-E213 HydrophobicContact CG-CG 4.18Å; G179-E213 CarbonylContact C-O 3.52Å; G179-E213 VanDerWaalsContact CA-O 3.25Å; G179-E213 WeakPolarHBondContact CA-O 3.16Å; G179-E213 VanDerWaalsContact O-O 3.14Å; Y180-E213 WeakPolarHBondContact CE2-OE1 3.07Å; Y180-E213 PolarHBondContact N-O 3.43Å; H211-E213 IonicContact CE1-OE1 3.65Å; H211-E213 PolarHBondContact CE1-OE1 3.47Å; H211-E213 VanDerWaalsContact CE1-OE1 3.24Å; H211-E213 IonicContact ND1-OE1 3.54Å; E213-Q219 HydrophobicContact CB-CB 3.76Å; E213-Q219 HydrophobicContact CB-CG 3.47Å; E213-Q219 VanDerWaalsContact CB-CG 3.47Å; E213-Q219 HydrophobicContact CG-CG 4.37Å; E213-Q219 PolarHBondContact N-O 3.19Å; E213-E221 HydrophobicContact CG-CB 4.03Å | ||
| 214 | V | 96.1 | Very high | 98.4 | Very high | 18 Ų | 18 | 22.4 Ų | 22.4 | 11% | 0.109 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -67.9 | -42.1 | -166.8 | 175.2 | 0 | 0 | 0 | 0 | 114.3 | K177 G178 G179 Y180 N265 | K177-V214 CarbonylContact C-O 2.92Å; K177-V214 VanDerWaalsContact CA-O 3.27Å; K177-V214 WeakPolarHBondContact CA-O 3.36Å; K177-V214 HydrophobicContact CB-CG1 3.9Å; K177-V214 HydrophobicContact CG-CG1 4.22Å; G178-V214 PolarHBondContact N-O 3.03Å; G179-V214 PolarHBondContact N-O 3.35Å; Y180-V214 HydrophobicContact CD2-CB 4.44Å; Y180-V214 HydrophobicContact CD2-CG2 3.5Å; Y180-V214 HydrophobicContact CE2-CG2 4.07Å; Y180-V214 HydrophobicContact CG-CG2 4.06Å; V214-N265 HydrophobicContact CB-CB 4.06Å; V214-N265 WeakPolarHBondContact CB-ND2 3.31Å; V214-N265 HydrophobicContact CG1-CB 4.16Å; V214-N265 VanDerWaalsContact CG1-CG 3.41Å; V214-N265 WeakPolarHBondContact CG1-ND2 3.39Å |
| 215 | A | 97.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -74.1 | 155.1 | -170 | 0 | 0 | 0 | 0 | 0 | 114.2 | F134 H212 Q219 D264 N265 | F134-A215 HydrophobicContact CE1-CB 3.76Å; F134-A215 HydrophobicContact CZ-CB 3.7Å; H212-A215 PolarHBondContact CE1-O 2.9Å; A215-Q219 HydrophobicContact CB-CB 4.01Å; A215-D264 VanDerWaalsContact CA-CG 3.43Å; A215-D264 VanDerWaalsContact CA-OD1 3.29Å; A215-D264 WeakPolarHBondContact CA-OD1 3.37Å; A215-D264 WeakPolarHBondContact CA-OD2 3.32Å; A215-D264 HydrophobicContact CB-CB 3.89Å; A215-D264 WeakPolarHBondContact CB-OD1 3.35Å; A215-N265 HydrophobicContact CB-CB 4.25Å |
| 216 | T | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.025 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 171.9 | 164 | -167.3 | 0 | 0 | 0 | 0 | 111 | E156 A158 W159 P174 M261 D264 | E156-T216 PolarHBondContact O-OG1 3.21Å; E156-T216 VanDerWaalsContact O-OG1 3.06Å; A158-T216 HydrophobicContact CB-CG2 4.28Å; A158-T216 PolarHBondContact N-OG1 3.23Å; W159-T216 HydrophobicContact CZ3-CG2 4.07Å; P174-T216 WeakPolarHBondContact O-CB 3.37Å; P174-T216 PolarHBondContact O-OG1 3.4Å; T216-M261 WeakPolarHBondContact O-CE 3.29Å; T216-D264 WeakPolarHBondContact CG2-OD2 3.42Å; T216-D264 PolarHBondContact N-OD2 3.22Å |
| 217 | A | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 46.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | F134 F136 D154 W159 M261 | F134-A217 WeakPolarHBondContact CD1-O 3.38Å; F136-A217 HydrophobicContact CD1-CB 4.46Å; F136-A217 WeakPolarHBondContact CD1-O 3.36Å; F136-A217 HydrophobicContact CE1-CB 4.2Å; F136-A217 VanDerWaalsContact CE1-O 3.25Å; F136-A217 WeakPolarHBondContact CE1-O 3.36Å; D154-A217 HydrophobicContact CB-CB 4.05Å; W159-A217 HydrophobicContact CH2-CB 3.41Å; W159-A217 VanDerWaalsContact CH2-CB 3.41Å; W159-A217 HydrophobicContact CZ2-CB 4.06Å; W159-A217 HydrophobicContact CZ3-CB 4.12Å; A217-M261 HydrophobicContact CB-CE 4.02Å; A217-M261 HydrophobicContact CB-SD 4.15Å |
| 218 | G | 98.2 | Very high | 98.4 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 42.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | F134 L135 E156 N220 | F134-G218 CarbonylContact C-O 3.43Å; F134-G218 VanDerWaalsContact CA-O 3.28Å; F134-G218 WeakPolarHBondContact CA-O 3.46Å; L135-G218 PolarHBondContact N-O 3.41Å; E156-G218 VanDerWaalsContact OE2-CA 3.31Å; E156-G218 WeakPolarHBondContact OE2-CA 3.3Å; E156-G218 PolarHBondContact OE2-N 2.88Å; G218-N220 PolarHBondContact O-OD1 3.41Å |
| 219 | Q | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 131.6 | 165.9 | -160 | -177.5 | -12.6 | 0 | 0 | 109.9 | E132 F133 F134 H212 E213 A215 G266 | E132-Q219 PolarHBondContact OE2-NE2 3.08Å; F133-Q219 CarbonylContact O-C 3.54Å; F133-Q219 WeakPolarHBondContact O-CA 3.46Å; F134-Q219 HydrophobicContact CD1-CB 3.93Å; F134-Q219 HydrophobicContact CD1-CG 4.34Å; F134-Q219 HydrophobicContact CD2-CG 4.2Å; F134-Q219 HydrophobicContact CE1-CB 3.55Å; F134-Q219 HydrophobicContact CE1-CG 3.96Å; F134-Q219 HydrophobicContact CE2-CB 4.34Å; F134-Q219 HydrophobicContact CE2-CG 3.8Å; F134-Q219 HydrophobicContact CG-CB 4.49Å; F134-Q219 HydrophobicContact CG-CG 4.47Å; F134-Q219 HydrophobicContact CZ-CB 3.8Å; F134-Q219 HydrophobicContact CZ-CG 3.68Å; H212-Q219 PolarHBondContact CE1-O 3.45Å; H212-Q219 PolarHBondContact ND1-O 3.14Å; H212-Q219 VanDerWaalsContact ND1-O 3.16Å; H212-Q219 PolarHBondContact NE2-O 3.02Å; E213-Q219 HydrophobicContact CB-CB 3.76Å; E213-Q219 HydrophobicContact CB-CG 3.47Å; E213-Q219 VanDerWaalsContact CB-CG 3.47Å; E213-Q219 HydrophobicContact CG-CG 4.37Å; E213-Q219 PolarHBondContact N-O 3.19Å; A215-Q219 HydrophobicContact CB-CB 4.01Å; Q219-G266 PolarHBondContact NE2-O 3.01Å |
| 220 | N | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 160.4 | -177.2 | -58.6 | 108.1 | 0 | 0 | 0 | 112.1 | F133 L135 R193 G218 | F133-N220 WeakPolarHBondContact CD1-O 3.25Å; F133-N220 HydrophobicContact CD2-CB 4.24Å; F133-N220 HydrophobicContact CE1-CB 4.35Å; F133-N220 HydrophobicContact CE2-CB 3.65Å; F133-N220 HydrophobicContact CZ-CB 3.71Å; F133-N220 PolarHBondContact N-O 3.45Å; F133-N220 PolarHBondContact O-N 2.91Å; L135-N220 WeakPolarHBondContact CD1-OD1 3.35Å; R193-N220 HydrophobicContact CG-CB 4.34Å; R193-N220 PolarHBondContact NH1-ND2 2.9Å; G218-N220 PolarHBondContact O-OD1 3.41Å |
| 221 | E | 98.8 | Very high | 98.4 | Very high | 9 Ų | 9 | 25.2 Ų | 25.2 | 4% | 0.042 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 142.9 | 172.6 | -170.3 | -172.8 | 150.3 | 0 | 0 | 110.5 | E130 E132 H210 H211 E213 | E130-E221 WeakPolarHBondContact CB-OE1 3.21Å; E132-E221 HydrophobicContact CG-CB 4.47Å; E132-E221 HydrophobicContact CG-CG 4.43Å; H210-E221 WeakPolarHBondContact CA-O 3.25Å; H211-E221 IonicContact CE1-OE2 2.67Å; H211-E221 PolarHBondContact N-O 3.25Å; H211-E221 IonicContact NE2-OE2 3.56Å; H211-E221 PolarHBondContact O-N 3.24Å; H211-E221 VanDerWaalsContact O-N 3.09Å; E213-E221 HydrophobicContact CG-CB 4.03Å |
| 222 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 111.6 | 164.8 | 179.3 | 0 | 0 | 0 | 0 | 107.6 | F133 M200 V207 A209 H210 T224 Y239 | F133-V222 HydrophobicContact CE1-CG2 4.42Å; F133-V222 HydrophobicContact CZ-CG2 4.45Å; M200-V222 HydrophobicContact CE-CB 4.32Å; M200-V222 HydrophobicContact CE-CG1 4.42Å; M200-V222 HydrophobicContact CE-CG2 4.48Å; M200-V222 HydrophobicContact SD-CB 4.29Å; M200-V222 HydrophobicContact SD-CG1 3.76Å; V207-V222 HydrophobicContact CG1-CG1 3.87Å; V207-V222 HydrophobicContact CG2-CG1 4.2Å; A209-V222 CarbonylContact O-C 3.29Å; H210-V222 HydrophobicContact CB-CB 4.41Å; H210-V222 HydrophobicContact CB-CG1 4.4Å; H210-V222 HydrophobicContact CB-CG2 3.94Å; V222-T224 HydrophobicContact CG1-CG2 4.33Å; V222-Y239 HydrophobicContact CB-CE2 3.77Å; V222-Y239 HydrophobicContact CG1-CE2 4.31Å; V222-Y239 PolarHBondContact N-OH 3.45Å; V222-Y239 WeakPolarHBondContact O-CE2 3.39Å; V222-Y239 PolarHBondContact O-OH 3.22Å |
| 223 | A | 98.7 | Very high | 98.4 | Very high | 16 Ų | 16 | 23.4 Ų | 23.4 | 13% | 0.132 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 127.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | E208 A209 | E208-A223 PolarHBondContact N-O 2.99Å; A209-A223 HydrophobicContact CB-CB 4.26Å; A209-A223 PolarHBondContact N-O 2.59Å; A209-A223 PolarHBondContact O-N 3Å |
| 224 | T | 98.8 | Very high | 98.5 | Very high | 9 Ų | 9 | 23.3 Ų | 23.3 | 6% | 0.055 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 142.7 | -179.1 | 59.4 | 0 | 0 | 0 | 0 | 111.1 | M200 L205 V206 V207 V222 K232 Y239 | M200-T224 HydrophobicContact SD-CG2 4.23Å; L205-T224 HydrophobicContact CD2-CG2 4.27Å; V206-T224 CarbonylContact O-C 3.47Å; V206-T224 WeakPolarHBondContact O-CA 3.38Å; V207-T224 HydrophobicContact CG2-CG2 4.43Å; V222-T224 HydrophobicContact CG1-CG2 4.33Å; T224-K232 PolarHBondContact OG1-NZ 3.47Å; T224-Y239 HydrophobicContact CG2-CD2 4.01Å; T224-Y239 HydrophobicContact CG2-CE2 4.11Å |
| 225 | R | 98.6 | Very high | 98.6 | Very high | 117 Ų | 117 | 23.2 Ų | 23.2 | 44% | 0.442 | 11% | 0.11 | S | C | . | . | trans | -57.2 | 143.9 | -178.3 | -171.5 | 174.3 | 69.8 | -168.2 | 0.3 | 111 | V206 E208 K232 | V206-R225 HydrophobicContact CB-CB 4.09Å; V206-R225 HydrophobicContact CG1-CB 4.25Å; V206-R225 PolarHBondContact O-N 3.23Å; E208-R225 HydrophobicContact CG-CB 4.02Å; E208-R225 WeakPolarHBondContact OE1-CA 3.31Å; E208-R225 WeakPolarHBondContact OE1-CB 3.3Å; E208-R225 WeakPolarHBondContact OE1-CG 3.48Å; R225-K232 WeakPolarHBondContact O-CE 3.47Å; R225-K232 PolarHBondContact O-NZ 2.81Å | ||
| 226 | F | 98.5 | Very high | 98.7 | Very high | 105 Ų | 105 | 23.3 Ų | 23.3 | 46% | 0.461 | 11% | 0.11 | S | C | . | . | trans | -58.5 | 160.9 | 174.2 | 67.4 | -92.2 | 0 | 0 | 0 | 112.9 | L126 F127 | L126-F226 HydrophobicContact CB-CD2 4.01Å; L126-F226 HydrophobicContact CD1-CD2 3.98Å; L126-F226 HydrophobicContact CD1-CE2 3.67Å; L126-F226 HydrophobicContact CD1-CZ 4.5Å; L126-F226 HydrophobicContact CD2-CD2 3.95Å; L126-F226 HydrophobicContact CD2-CE2 4.03Å; L126-F226 HydrophobicContact CG-CD2 4.19Å; L126-F226 HydrophobicContact CG-CE2 4.29Å; F127-F226 CarbonylContact O-C 3.59Å; F127-F226 WeakPolarHBondContact O-CA 3.1Å; F127-F226 WeakPolarHBondContact O-CB 3.42Å | ||
| 227 | N | 98.6 | Very high | 98.7 | Very high | 40 Ų | 40 | 23.4 Ų | 23.4 | 21% | 0.214 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | -179.4 | 171.1 | -147.4 | -31.1 | 0 | 0 | 0 | 111.2 | L126 F127 K231 K232 E235 | L126-N227 WeakPolarHBondContact CA-O 3.35Å; F127-N227 PolarHBondContact N-O 3.23Å; F127-N227 PolarHBondContact O-N 3.17Å; N227-K231 WeakPolarHBondContact ND2-CD 3.37Å; N227-K231 WeakPolarHBondContact ND2-CG 3.45Å; N227-K232 HydrophobicContact CB-CB 4.01Å; N227-K232 HydrophobicContact CB-CD 4.12Å; N227-E235 PolarHBondContact ND2-OE1 3.44Å |
| 228 | T | 98.6 | Very high | 98.8 | Very high | 43 Ų | 43 | 24.2 Ų | 24.2 | 26% | 0.264 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 151.4 | 168.1 | 68.9 | 0 | 0 | 0 | 0 | 110.2 | T124 V125 L126 T230 K231 K232 | T124-T228 HydrophobicContact CG2-CG2 3.75Å; V125-T228 WeakPolarHBondContact O-CA 3.44Å; L126-T228 HydrophobicContact CD2-CG2 4.49Å; T228-T230 PolarHBondContact O-N 3.44Å; T228-K231 CarbonylContact O-C 3.56Å; T228-K231 PolarHBondContact O-N 2.95Å; T228-K231 VanDerWaalsContact O-N 3.16Å; T228-K232 WeakPolarHBondContact O-CB 3.22Å; T228-K232 PolarHBondContact O-N 3.21Å |
| 229 | M | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -55.7 | -54.2 | -162.8 | -177.9 | 179.7 | 79.2 | 0 | 0 | 114.3 | A109 A112 E113 V125 F127 K231 K232 A233 F372 L376 | A109-M229 HydrophobicContact CB-CE 4.2Å; A109-M229 WeakPolarHBondContact O-CE 3.47Å; A112-M229 HydrophobicContact CB-CE 3.59Å; E113-M229 HydrophobicContact CG-CB 4.03Å; E113-M229 HydrophobicContact CG-CE 3.61Å; E113-M229 PolarHBondContact OE1-N 3.26Å; V125-M229 HydrophobicContact CG1-CB 3.62Å; V125-M229 HydrophobicContact CG1-SD 4.26Å; V125-M229 PolarHBondContact O-N 3.16Å; F127-M229 HydrophobicContact CD2-CB 3.7Å; F127-M229 HydrophobicContact CD2-CG 3.61Å; F127-M229 HydrophobicContact CD2-SD 4.3Å; F127-M229 HydrophobicContact CE2-CB 3.97Å; F127-M229 HydrophobicContact CE2-CG 3.56Å; F127-M229 HydrophobicContact CE2-SD 3.63Å; F127-M229 HydrophobicContact CG-CG 4.48Å; F127-M229 HydrophobicContact CZ-CG 4.42Å; F127-M229 HydrophobicContact CZ-SD 4.27Å; M229-K231 VanDerWaalsContact C-N 3.33Å; M229-K231 PolarHBondContact O-N 3.36Å; M229-K232 PolarHBondContact O-N 3.01Å; M229-A233 PolarHBondContact O-N 3.5Å; M229-F372 HydrophobicContact CG-CB 3.59Å; M229-F372 HydrophobicContact CG-CD2 4.33Å; M229-F372 HydrophobicContact CG-CG 4.44Å; M229-F372 HydrophobicContact SD-CB 3.92Å; M229-L376 HydrophobicContact CE-CD2 4.03Å; M229-L376 HydrophobicContact SD-CB 4.01Å; M229-L376 HydrophobicContact SD-CD2 3.87Å |
| 230 | T | 98.8 | Very high | 98.8 | Very high | 8 Ų | 8 | 25.4 Ų | 25.4 | 5% | 0.049 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.1 | -41.6 | -179.1 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | R106 A109 K110 E113 T228 K232 A233 D234 | R106-T230 HydrophobicContact CG-CG2 4.17Å; A109-T230 HydrophobicContact CB-CG2 4.45Å; K110-T230 HydrophobicContact CG-CG2 3.95Å; E113-T230 WeakPolarHBondContact OE2-CB 3.45Å; E113-T230 PolarHBondContact OE2-N 2.95Å; E113-T230 PolarHBondContact OE2-OG1 3.33Å; T228-T230 PolarHBondContact O-N 3.44Å; T230-K232 VanDerWaalsContact C-N 3.3Å; T230-K232 PolarHBondContact O-N 3.16Å; T230-A233 PolarHBondContact O-N 3.24Å; T230-D234 WeakPolarHBondContact O-CB 3.47Å; T230-D234 PolarHBondContact O-N 3.41Å |
| 231 | K | 98.7 | Very high | 98.8 | Very high | 108 Ų | 108 | 26.9 Ų | 26.9 | 47% | 0.47 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -66 | -33.5 | 178.6 | -169.6 | 170.9 | -74.3 | 171.8 | 0 | 112 | N227 T228 M229 D234 E235 | N227-K231 WeakPolarHBondContact ND2-CD 3.37Å; N227-K231 WeakPolarHBondContact ND2-CG 3.45Å; T228-K231 CarbonylContact O-C 3.56Å; T228-K231 PolarHBondContact O-N 2.95Å; T228-K231 VanDerWaalsContact O-N 3.16Å; M229-K231 VanDerWaalsContact C-N 3.33Å; M229-K231 PolarHBondContact O-N 3.36Å; K231-D234 WeakPolarHBondContact O-CB 3.22Å; K231-D234 PolarHBondContact O-N 3.14Å; K231-E235 WeakPolarHBondContact O-CG 3.39Å; K231-E235 PolarHBondContact O-N 3.07Å |
| 232 | K | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -72.8 | -35.3 | 175.5 | -168.1 | 62.6 | -176.4 | 171.1 | 0 | 112.1 | F127 P129 T224 R225 N227 T228 M229 T230 D234 E235 I236 F372 | F127-K232 HydrophobicContact CB-CB 4.16Å; F127-K232 HydrophobicContact CB-CG 4.14Å; F127-K232 WeakPolarHBondContact O-CG 3.36Å; P129-K232 VanDerWaalsContact CD-CE 3.44Å; P129-K232 VanDerWaalsContact CD-CG 3.41Å; P129-K232 HydrophobicContact CG-CD 4.21Å; P129-K232 HydrophobicContact CG-CG 3.74Å; T224-K232 PolarHBondContact OG1-NZ 3.47Å; R225-K232 WeakPolarHBondContact O-CE 3.47Å; R225-K232 PolarHBondContact O-NZ 2.81Å; N227-K232 HydrophobicContact CB-CB 4.01Å; N227-K232 HydrophobicContact CB-CD 4.12Å; T228-K232 WeakPolarHBondContact O-CB 3.22Å; T228-K232 PolarHBondContact O-N 3.21Å; M229-K232 PolarHBondContact O-N 3.01Å; T230-K232 VanDerWaalsContact C-N 3.3Å; T230-K232 PolarHBondContact O-N 3.16Å; K232-D234 VanDerWaalsContact C-N 3.33Å; K232-E235 HydrophobicContact CD-CB 4.29Å; K232-E235 WeakPolarHBondContact CD-OE2 3.32Å; K232-E235 IonicContact NZ-OE2 3.51Å; K232-E235 PolarHBondContact NZ-OE2 3.22Å; K232-E235 WeakPolarHBondContact O-CB 3.45Å; K232-E235 PolarHBondContact O-N 2.96Å; K232-I236 WeakPolarHBondContact O-CG1 3.29Å; K232-I236 PolarHBondContact O-N 2.62Å; K232-F372 HydrophobicContact CB-CE2 4.41Å; K232-F372 HydrophobicContact CG-CE2 4.32Å |
| 233 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.7 | -41.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M229 T230 E235 I236 Q237 P368 Y369 F372 | M229-A233 PolarHBondContact O-N 3.5Å; T230-A233 PolarHBondContact O-N 3.24Å; A233-E235 VanDerWaalsContact C-N 3.34Å; A233-E235 PolarHBondContact O-N 3.38Å; A233-I236 PolarHBondContact O-N 3Å; A233-I236 VanDerWaalsContact O-N 3.13Å; A233-Q237 PolarHBondContact O-N 3.21Å; A233-P368 HydrophobicContact CB-CB 3.82Å; A233-P368 HydrophobicContact CB-CG 4.2Å; A233-Y369 HydrophobicContact CB-CD1 3.33Å; A233-Y369 HydrophobicContact CB-CD2 4.49Å; A233-Y369 HydrophobicContact CB-CE1 3.47Å; A233-Y369 VanDerWaalsContact CB-CE1 3.47Å; A233-Y369 HydrophobicContact CB-CG 3.88Å; A233-F372 HydrophobicContact CB-CD2 3.9Å; A233-F372 HydrophobicContact CB-CE2 3.98Å |
| 234 | D | 98.9 | Very high | 98.8 | Very high | 10 Ų | 10 | 28.7 Ų | 28.7 | 5% | 0.053 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -54.4 | -45.3 | 168.7 | -88.8 | 12.6 | 0 | 0 | 0 | 112.6 | R89 R106 T230 K231 K232 Q237 I238 Y369 | R89-D234 VanDerWaalsContact CD-CG 3.45Å; R89-D234 WeakPolarHBondContact CD-OD1 3.23Å; R89-D234 IonicContact CZ-OD1 4Å; R89-D234 IonicContact NE-OD1 3.13Å; R89-D234 VanDerWaalsContact NH1-CA 3.32Å; R89-D234 PolarHBondContact NH1-O 2.94Å; R89-D234 IonicContact NH1-OD1 3.61Å; R89-D234 PolarHBondContact NH1-OD1 3.31Å; R89-D234 IonicContact NH1-OD2 3.16Å; R89-D234 PolarHBondContact NH1-OD2 2.92Å; R89-D234 PolarHBondContact NH2-O 3.29Å; R106-D234 IonicContact CZ-OD1 2.58Å; R106-D234 IonicContact CZ-OD2 3.65Å; R106-D234 IonicContact NE-OD1 2.85Å; R106-D234 PolarHBondContact NE-OD1 3.06Å; R106-D234 IonicContact NE-OD2 3.96Å; R106-D234 PolarHBondContact NE-OD2 2.81Å; R106-D234 IonicContact NH2-OD1 2.98Å; R106-D234 IonicContact NH2-OD2 3.43Å; R106-D234 PolarHBondContact NH2-OD2 3.27Å; T230-D234 WeakPolarHBondContact O-CB 3.47Å; T230-D234 PolarHBondContact O-N 3.41Å; K231-D234 WeakPolarHBondContact O-CB 3.22Å; K231-D234 PolarHBondContact O-N 3.14Å; K232-D234 VanDerWaalsContact C-N 3.33Å; D234-Q237 PolarHBondContact O-N 2.75Å; D234-I238 PolarHBondContact O-N 3.32Å; D234-Y369 VanDerWaalsContact OD1-CE1 3.23Å; D234-Y369 WeakPolarHBondContact OD1-CE1 3.31Å; D234-Y369 PolarHBondContact OD1-OH 2.96Å |
| 235 | E | 98.9 | Very high | 98.8 | Very high | 17 Ų | 17 | 30.3 Ų | 30.3 | 8% | 0.079 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.8 | -33.5 | 174.5 | -74.6 | 175.1 | -162.8 | 0 | 0 | 112.8 | L205 N227 K231 K232 A233 Q237 I238 Y239 | L205-E235 HydrophobicContact CD1-CB 4.15Å; L205-E235 HydrophobicContact CD1-CG 3.92Å; L205-E235 HydrophobicContact CD2-CB 4.3Å; L205-E235 HydrophobicContact CG-CB 4Å; L205-E235 HydrophobicContact CG-CG 3.89Å; N227-E235 PolarHBondContact ND2-OE1 3.44Å; K231-E235 WeakPolarHBondContact O-CG 3.39Å; K231-E235 PolarHBondContact O-N 3.07Å; K232-E235 HydrophobicContact CD-CB 4.29Å; K232-E235 WeakPolarHBondContact CD-OE2 3.32Å; K232-E235 IonicContact NZ-OE2 3.51Å; K232-E235 PolarHBondContact NZ-OE2 3.22Å; K232-E235 WeakPolarHBondContact O-CB 3.45Å; K232-E235 PolarHBondContact O-N 2.96Å; A233-E235 VanDerWaalsContact C-N 3.34Å; A233-E235 PolarHBondContact O-N 3.38Å; E235-Q237 VanDerWaalsContact C-N 3.32Å; E235-Q237 PolarHBondContact O-N 3.04Å; E235-I238 PolarHBondContact O-N 2.76Å; E235-Y239 WeakPolarHBondContact O-CB 3.28Å; E235-Y239 PolarHBondContact O-N 3.39Å |
| 236 | I | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65.2 | -36.7 | 176.6 | -73.5 | -71.6 | 0 | 0 | 0 | 111.7 | P129 P131 K232 A233 Y239 K240 M269 P368 F372 | P129-I236 HydrophobicContact CB-CD1 3.92Å; P129-I236 HydrophobicContact CB-CG1 4.39Å; P129-I236 HydrophobicContact CG-CD1 3.53Å; P129-I236 HydrophobicContact CG-CG1 3.72Å; P131-I236 HydrophobicContact CB-CD1 4.33Å; P131-I236 HydrophobicContact CG-CD1 3.69Å; K232-I236 WeakPolarHBondContact O-CG1 3.29Å; K232-I236 PolarHBondContact O-N 2.62Å; A233-I236 PolarHBondContact O-N 3Å; A233-I236 VanDerWaalsContact O-N 3.13Å; I236-Y239 WeakPolarHBondContact O-CB 2.99Å; I236-Y239 PolarHBondContact O-N 3.33Å; I236-K240 HydrophobicContact CG2-CD 4.29Å; I236-K240 WeakPolarHBondContact O-CG 3.21Å; I236-K240 PolarHBondContact O-N 2.93Å; I236-M269 HydrophobicContact CD1-SD 4.42Å; I236-P368 HydrophobicContact CB-CB 3.97Å; I236-P368 HydrophobicContact CB-CG 4.22Å; I236-P368 HydrophobicContact CG1-CB 4.47Å; I236-P368 HydrophobicContact CG2-CB 3.81Å; I236-P368 HydrophobicContact CG2-CG 3.91Å; I236-F372 HydrophobicContact CG1-CE2 4.47Å; I236-F372 HydrophobicContact CG1-CZ 4.19Å |
| 237 | Q | 98.9 | Very high | 98.9 | Very high | 6 Ų | 6 | 19.9 Ų | 19.9 | 3% | 0.028 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.1 | -43.3 | 174.3 | -60.6 | -60.3 | 86.5 | 0 | 0 | 110.9 | T23 G27 E29 A233 D234 E235 K240 Y241 P368 Y369 | T23-Q237 PolarHBondContact OG1-NE2 3.07Å; G27-Q237 PolarHBondContact O-NE2 2.71Å; E29-Q237 WeakPolarHBondContact OE1-CB 3.14Å; A233-Q237 PolarHBondContact O-N 3.21Å; D234-Q237 PolarHBondContact O-N 2.75Å; E235-Q237 VanDerWaalsContact C-N 3.32Å; E235-Q237 PolarHBondContact O-N 3.04Å; Q237-K240 PolarHBondContact O-N 3.05Å; Q237-Y241 WeakPolarHBondContact O-CB 3.49Å; Q237-Y241 PolarHBondContact O-N 2.89Å; Q237-P368 HydrophobicContact CG-CG 4.31Å; Q237-Y369 HydrophobicContact CG-CE2 4.07Å |
| 238 | I | 98.9 | Very high | 98.9 | Very high | 18 Ų | 18 | 24.8 Ų | 24.8 | 9% | 0.092 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.5 | -44.4 | 174.5 | -66.1 | 167.6 | 0 | 0 | 0 | 110.9 | M203 L205 D234 E235 K240 Y241 V242 | M203-I238 HydrophobicContact CB-CG2 3.71Å; M203-I238 HydrophobicContact CE-CG2 3.97Å; M203-I238 HydrophobicContact CG-CG2 4.41Å; M203-I238 HydrophobicContact SD-CG2 3.87Å; L205-I238 HydrophobicContact CD1-CB 3.88Å; L205-I238 HydrophobicContact CD1-CD1 4.14Å; L205-I238 HydrophobicContact CD1-CG2 3.5Å; L205-I238 VanDerWaalsContact CD1-CG2 3.5Å; D234-I238 PolarHBondContact O-N 3.32Å; E235-I238 PolarHBondContact O-N 2.76Å; I238-K240 PolarHBondContact O-N 3.38Å; I238-Y241 WeakPolarHBondContact O-CB 3.02Å; I238-Y241 PolarHBondContact O-N 3.42Å; I238-Y241 VanDerWaalsContact O-N 3.15Å; I238-V242 HydrophobicContact CG2-CG2 4.19Å; I238-V242 WeakPolarHBondContact O-CG2 3.37Å; I238-V242 PolarHBondContact O-N 3.09Å |
| 239 | Y | 98.9 | Very high | 98.9 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -54.4 | -53.3 | 177.1 | -179.1 | -78.3 | 0 | 0 | 0 | 110.9 | P131 F133 M200 L205 V222 T224 E235 I236 Y241 V242 V243 F256 | P131-Y239 HydrophobicContact CB-CE1 4.19Å; P131-Y239 HydrophobicContact CG-CD1 3.85Å; P131-Y239 HydrophobicContact CG-CD2 4.36Å; P131-Y239 HydrophobicContact CG-CE1 3.57Å; P131-Y239 HydrophobicContact CG-CE2 4.1Å; P131-Y239 HydrophobicContact CG-CG 4.23Å; P131-Y239 PolarHBondContact O-OH 2.9Å; F133-Y239 HydrophobicContact CD1-CE1 4.1Å; F133-Y239 HydrophobicContact CE1-CE1 4.22Å; F133-Y239 VanDerWaalsContact CE1-OH 3.31Å; F133-Y239 WeakPolarHBondContact CE1-OH 3.23Å; M200-Y239 HydrophobicContact CE-CD1 4.2Å; M200-Y239 HydrophobicContact CE-CD2 3.31Å; M200-Y239 HydrophobicContact CE-CE1 4.28Å; M200-Y239 HydrophobicContact CE-CE2 3.44Å; M200-Y239 VanDerWaalsContact CE-CE2 3.44Å; M200-Y239 HydrophobicContact CE-CG 3.73Å; M200-Y239 HydrophobicContact SD-CD2 3.56Å; M200-Y239 VanDerWaalsContact SD-CD2 3.56Å; M200-Y239 HydrophobicContact SD-CE2 3.81Å; M200-Y239 HydrophobicContact SD-CG 4.41Å; L205-Y239 HydrophobicContact CD2-CD2 4.47Å; V222-Y239 HydrophobicContact CB-CE2 3.77Å; V222-Y239 HydrophobicContact CG1-CE2 4.31Å; V222-Y239 PolarHBondContact N-OH 3.45Å; V222-Y239 WeakPolarHBondContact O-CE2 3.39Å; V222-Y239 PolarHBondContact O-OH 3.22Å; T224-Y239 HydrophobicContact CG2-CD2 4.01Å; T224-Y239 HydrophobicContact CG2-CE2 4.11Å; E235-Y239 WeakPolarHBondContact O-CB 3.28Å; E235-Y239 PolarHBondContact O-N 3.39Å; I236-Y239 WeakPolarHBondContact O-CB 2.99Å; I236-Y239 PolarHBondContact O-N 3.33Å; Y239-Y241 VanDerWaalsContact C-N 3.3Å; Y239-Y241 PolarHBondContact O-N 3.08Å; Y239-V242 PolarHBondContact O-N 3.11Å; Y239-V243 HydrophobicContact CD1-CG2 4.05Å; Y239-V243 HydrophobicContact CE1-CG2 3.76Å; Y239-V243 WeakPolarHBondContact O-CG2 3.49Å; Y239-V243 PolarHBondContact O-N 3.26Å; Y239-F256 AromaticContact CD1-CE1 3.99Å; Y239-F256 HydrophobicContact CD1-CE1 3.99Å; Y239-F256 AromaticContact CD1-CZ 3.78Å; Y239-F256 HydrophobicContact CD1-CZ 3.78Å; Y239-F256 AromaticContact CE1-CE1 3.64Å; Y239-F256 HydrophobicContact CE1-CE1 3.64Å; Y239-F256 AromaticContact CE1-CZ 3.64Å; Y239-F256 HydrophobicContact CE1-CZ 3.64Å |
| 240 | K | 98.9 | Very high | 98.8 | Very high | 26 Ų | 26 | 34.8 Ų | 34.8 | 11% | 0.113 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.6 | -39.3 | 178.5 | -69.3 | 177.6 | -178.8 | 177.2 | 0 | 111.2 | I236 Q237 I238 H244 F256 P364 | I236-K240 HydrophobicContact CG2-CD 4.29Å; I236-K240 WeakPolarHBondContact O-CG 3.21Å; I236-K240 PolarHBondContact O-N 2.93Å; Q237-K240 PolarHBondContact O-N 3.05Å; I238-K240 PolarHBondContact O-N 3.38Å; K240-H244 WeakPolarHBondContact O-CB 3.37Å; K240-H244 VanDerWaalsContact O-CG 3.29Å; K240-H244 PolarHBondContact O-N 3.34Å; K240-H244 PolarHBondContact O-ND1 3.43Å; K240-F256 HydrophobicContact CB-CD2 4.37Å; K240-F256 HydrophobicContact CB-CE2 3.91Å; K240-F256 HydrophobicContact CB-CZ 4.22Å; K240-F256 HydrophobicContact CG-CD1 4.31Å; K240-F256 HydrophobicContact CG-CD2 4Å; K240-F256 HydrophobicContact CG-CE1 4.06Å; K240-F256 HydrophobicContact CG-CE2 3.75Å; K240-F256 HydrophobicContact CG-CG 4.26Å; K240-F256 HydrophobicContact CG-CZ 3.77Å; K240-P364 VanDerWaalsContact CE-O 3.24Å; K240-P364 WeakPolarHBondContact CE-O 3.19Å; K240-P364 PolarHBondContact NZ-O 2.92Å |
| 241 | Y | 98.9 | Very high | 98.8 | Very high | 31 Ų | 31 | 37.2 Ų | 37.2 | 12% | 0.122 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.2 | -48.9 | 176.9 | -179.9 | -110.9 | 0 | 0 | 0 | 111.7 | R21 D78 F80 M203 Q237 I238 Y239 H244 N245 | R21-Y241 VanDerWaalsContact NH2-CZ 3.27Å; R21-Y241 PolarHBondContact NH2-OH 2.86Å; D78-Y241 PolarHBondContact OD1-OH 3.18Å; D78-Y241 VanDerWaalsContact OD2-CE1 3.22Å; D78-Y241 WeakPolarHBondContact OD2-CE1 3.21Å; D78-Y241 PolarHBondContact OD2-OH 2.95Å; F80-Y241 HydrophobicContact CD2-CD1 4.22Å; F80-Y241 AromaticContact CD2-CE1 3.4Å; F80-Y241 HydrophobicContact CD2-CE1 3.4Å; F80-Y241 VanDerWaalsContact CD2-CE1 3.4Å; F80-Y241 AromaticContact CD2-CZ 3.68Å; F80-Y241 AromaticContact CE2-CD1 3.9Å; F80-Y241 HydrophobicContact CE2-CD1 3.9Å; F80-Y241 AromaticContact CE2-CE1 3.55Å; F80-Y241 HydrophobicContact CE2-CE1 3.55Å; M203-Y241 HydrophobicContact CE-CD1 4.22Å; M203-Y241 HydrophobicContact CE-CE1 4.44Å; M203-Y241 HydrophobicContact SD-CD1 4.32Å; Q237-Y241 WeakPolarHBondContact O-CB 3.49Å; Q237-Y241 PolarHBondContact O-N 2.89Å; I238-Y241 WeakPolarHBondContact O-CB 3.02Å; I238-Y241 PolarHBondContact O-N 3.42Å; I238-Y241 VanDerWaalsContact O-N 3.15Å; Y239-Y241 VanDerWaalsContact C-N 3.3Å; Y239-Y241 PolarHBondContact O-N 3.08Å; Y241-H244 PolarHBondContact O-N 3.31Å; Y241-N245 WeakPolarHBondContact CD2-ND2 3.3Å; Y241-N245 WeakPolarHBondContact CE2-ND2 3.47Å; Y241-N245 WeakPolarHBondContact O-CB 3.48Å; Y241-N245 PolarHBondContact O-N 2.86Å; Y241-N245 PolarHBondContact O-ND2 3.02Å |
| 242 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.7 | -47.6 | 177.9 | 173.5 | 0 | 0 | 0 | 0 | 111 | F80 M196 V199 M200 M203 I238 Y239 H244 N245 V246 | F80-V242 HydrophobicContact CE2-CG2 4.39Å; F80-V242 HydrophobicContact CZ-CB 4.48Å; F80-V242 HydrophobicContact CZ-CG1 4.38Å; F80-V242 HydrophobicContact CZ-CG2 4.39Å; M196-V242 HydrophobicContact CB-CG1 4.42Å; V199-V242 HydrophobicContact CB-CG1 3.83Å; V199-V242 HydrophobicContact CG1-CG1 3.84Å; V199-V242 HydrophobicContact CG1-CG2 3.89Å; M200-V242 HydrophobicContact CE-CB 4.42Å; M200-V242 HydrophobicContact CE-CG1 4.36Å; M200-V242 HydrophobicContact CG-CB 4.05Å; M200-V242 HydrophobicContact CG-CG1 3.88Å; M200-V242 HydrophobicContact CG-CG2 4.26Å; M203-V242 HydrophobicContact SD-CG2 3.54Å; M203-V242 VanDerWaalsContact SD-CG2 3.54Å; I238-V242 HydrophobicContact CG2-CG2 4.19Å; I238-V242 WeakPolarHBondContact O-CG2 3.37Å; I238-V242 PolarHBondContact O-N 3.09Å; Y239-V242 PolarHBondContact O-N 3.11Å; V242-H244 PolarHBondContact O-N 2.97Å; V242-N245 PolarHBondContact O-N 2.89Å; V242-V246 HydrophobicContact CG1-CG2 3.88Å; V242-V246 WeakPolarHBondContact O-CB 3.35Å; V242-V246 VanDerWaalsContact O-CG2 3.3Å; V242-V246 WeakPolarHBondContact O-CG2 3.47Å; V242-V246 PolarHBondContact O-N 3.2Å |
| 243 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58 | -49.4 | 179 | 168.3 | 0 | 0 | 0 | 0 | 111.4 | F133 M196 M200 Y239 N245 A247 A254 F256 | F133-V243 HydrophobicContact CB-CG1 4.49Å; F133-V243 HydrophobicContact CD1-CG1 4.24Å; F133-V243 HydrophobicContact CD1-CG2 4.28Å; F133-V243 HydrophobicContact CD2-CG1 3.59Å; F133-V243 HydrophobicContact CE1-CG1 4.36Å; F133-V243 HydrophobicContact CE1-CG2 3.92Å; F133-V243 HydrophobicContact CE2-CG1 3.72Å; F133-V243 HydrophobicContact CE2-CG2 4.45Å; F133-V243 HydrophobicContact CG-CG1 3.86Å; F133-V243 HydrophobicContact CZ-CG1 4.11Å; F133-V243 HydrophobicContact CZ-CG2 4.01Å; M196-V243 HydrophobicContact CE-CB 4.48Å; M196-V243 HydrophobicContact CE-CG1 4.15Å; M196-V243 HydrophobicContact SD-CG2 4.04Å; M200-V243 HydrophobicContact CE-CG2 3.61Å; Y239-V243 HydrophobicContact CD1-CG2 4.05Å; Y239-V243 HydrophobicContact CE1-CG2 3.76Å; Y239-V243 WeakPolarHBondContact O-CG2 3.49Å; Y239-V243 PolarHBondContact O-N 3.26Å; V243-N245 PolarHBondContact O-N 3.49Å; V243-A247 WeakPolarHBondContact O-CB 3.47Å; V243-A247 PolarHBondContact O-N 3.26Å; V243-A254 HydrophobicContact CG1-CB 3.7Å; V243-F256 HydrophobicContact CB-CE2 3.92Å; V243-F256 HydrophobicContact CB-CZ 3.78Å; V243-F256 HydrophobicContact CG1-CE2 3.71Å; V243-F256 HydrophobicContact CG1-CZ 3.72Å; V243-F256 HydrophobicContact CG2-CZ 4Å |
| 244 | H | 98.9 | Very high | 98.8 | Very high | 63 Ų | 63 | 36 Ų | 36 | 29% | 0.292 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -62.4 | -43.5 | 179.6 | -69.1 | 127.5 | 0 | 0 | 0 | 112.6 | K240 Y241 V242 H248 A254 F256 | K240-H244 WeakPolarHBondContact O-CB 3.37Å; K240-H244 VanDerWaalsContact O-CG 3.29Å; K240-H244 PolarHBondContact O-N 3.34Å; K240-H244 PolarHBondContact O-ND1 3.43Å; Y241-H244 PolarHBondContact O-N 3.31Å; V242-H244 PolarHBondContact O-N 2.97Å; H244-H248 WeakPolarHBondContact O-CB 3.49Å; H244-H248 PolarHBondContact O-N 3.02Å; H244-A254 PolarHBondContact CD2-O 3.4Å; H244-F256 AromaticContact CE1-CD2 3.59Å; H244-F256 AromaticContact CE1-CE2 3.84Å; H244-F256 AromaticContact NE2-CD2 3.51Å; H244-F256 AromaticContact NE2-CE2 3.91Å |
| 245 | N | 98.9 | Very high | 98.8 | Very high | 43 Ų | 43 | 36.7 Ų | 36.7 | 23% | 0.23 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -79.1 | -36.3 | -174.3 | -75.7 | -80.2 | 0 | 0 | 0 | 113.3 | F80 Y241 V242 V243 H248 R249 | F80-N245 HydrophobicContact CD1-CB 3.79Å; F80-N245 HydrophobicContact CD2-CB 3.66Å; F80-N245 HydrophobicContact CE1-CB 3.74Å; F80-N245 HydrophobicContact CE2-CB 3.6Å; F80-N245 HydrophobicContact CG-CB 3.75Å; F80-N245 HydrophobicContact CZ-CB 3.63Å; Y241-N245 WeakPolarHBondContact CD2-ND2 3.3Å; Y241-N245 WeakPolarHBondContact CE2-ND2 3.47Å; Y241-N245 WeakPolarHBondContact O-CB 3.48Å; Y241-N245 PolarHBondContact O-N 2.86Å; Y241-N245 PolarHBondContact O-ND2 3.02Å; V242-N245 PolarHBondContact O-N 2.89Å; V243-N245 PolarHBondContact O-N 3.49Å; N245-H248 PolarHBondContact O-N 3.26Å; N245-R249 PolarHBondContact O-N 2.87Å |
| 246 | V | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.7 | -46.4 | 171.9 | 175.1 | 0 | 0 | 0 | 0 | 109.5 | F80 I192 E195 M196 V199 V242 H248 R249 F250 | F80-V246 HydrophobicContact CE1-CG2 3.79Å; F80-V246 HydrophobicContact CZ-CG2 3.92Å; I192-V246 HydrophobicContact CG2-CG1 4.29Å; E195-V246 HydrophobicContact CB-CG1 4.04Å; E195-V246 HydrophobicContact CG-CG1 3.85Å; E195-V246 HydrophobicContact CG-CG2 4.35Å; M196-V246 HydrophobicContact CE-CB 4.31Å; M196-V246 HydrophobicContact CE-CG1 4.28Å; M196-V246 HydrophobicContact CG-CB 3.82Å; M196-V246 HydrophobicContact CG-CG1 3.75Å; M196-V246 HydrophobicContact CG-CG2 4.22Å; V199-V246 HydrophobicContact CG2-CG2 4.35Å; V242-V246 HydrophobicContact CG1-CG2 3.88Å; V242-V246 WeakPolarHBondContact O-CB 3.35Å; V242-V246 VanDerWaalsContact O-CG2 3.3Å; V242-V246 WeakPolarHBondContact O-CG2 3.47Å; V242-V246 PolarHBondContact O-N 3.2Å; V246-H248 VanDerWaalsContact C-N 3.31Å; V246-H248 PolarHBondContact O-N 2.96Å; V246-R249 PolarHBondContact O-N 3.15Å; V246-F250 HydrophobicContact CG1-CD2 3.95Å; V246-F250 HydrophobicContact CG1-CE2 4.05Å; V246-F250 WeakPolarHBondContact O-CD2 3.44Å; V246-F250 PolarHBondContact O-N 3.07Å |
| 247 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.2 | -48.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L135 M196 V243 R249 F250 G251 K252 A254 | L135-A247 HydrophobicContact CD2-CB 3.74Å; M196-A247 HydrophobicContact CE-CB 4.33Å; V243-A247 WeakPolarHBondContact O-CB 3.47Å; V243-A247 PolarHBondContact O-N 3.26Å; A247-R249 PolarHBondContact O-N 3.01Å; A247-F250 CarbonylContact O-C 3.58Å; A247-F250 PolarHBondContact O-N 3.42Å; A247-F250 VanDerWaalsContact O-N 3.1Å; A247-G251 PolarHBondContact O-N 3Å; A247-K252 CarbonylContact C-O 3.59Å; A247-K252 VanDerWaalsContact C-O 3.28Å; A247-K252 HydrophobicContact CB-CB 4.25Å; A247-K252 CarbonylContact O-C 3.52Å; A247-K252 WeakPolarHBondContact O-CA 3.31Å; A247-K252 PolarHBondContact O-N 3.42Å; A247-K252 VanDerWaalsContact O-O 3.12Å; A247-A254 HydrophobicContact CB-CB 3.76Å |
| 248 | H | 98.7 | Very high | 98.8 | Very high | 142 Ų | 142 | 40.3 Ų | 40.3 | 66% | 0.657 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -58.3 | -44.7 | 177.8 | -174.9 | 65.5 | 0 | 0 | 0 | 112.9 | H244 N245 V246 F250 G251 K252 | H244-H248 WeakPolarHBondContact O-CB 3.49Å; H244-H248 PolarHBondContact O-N 3.02Å; N245-H248 PolarHBondContact O-N 3.26Å; V246-H248 VanDerWaalsContact C-N 3.31Å; V246-H248 PolarHBondContact O-N 2.96Å; H248-F250 VanDerWaalsContact C-N 3.26Å; H248-F250 PolarHBondContact O-N 3.43Å; H248-G251 PolarHBondContact O-N 3.22Å; H248-K252 WeakPolarHBondContact CA-O 3.43Å; H248-K252 PolarHBondContact N-O 3.14Å |
| 249 | R | 98.6 | Very high | 98.8 | Very high | 149 Ų | 149 | 40.1 Ų | 40.1 | 56% | 0.562 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -64.1 | -29 | 176.5 | -81.7 | -172.7 | 165.2 | 176.3 | -5.3 | 113.4 | P79 F80 N245 V246 A247 G251 | P79-R249 PolarHBondContact O-NH1 2.84Å; P79-R249 VanDerWaalsContact O-NH1 3.09Å; F80-R249 VanDerWaalsContact CA-NH2 3.29Å; F80-R249 PolarHBondContact O-NH2 2.91Å; N245-R249 PolarHBondContact O-N 2.87Å; V246-R249 PolarHBondContact O-N 3.15Å; A247-R249 PolarHBondContact O-N 3.01Å; R249-G251 VanDerWaalsContact C-N 3.26Å |
| 250 | F | 98.6 | Very high | 98.7 | Very high | 104 Ų | 104 | 41 Ų | 41 | 46% | 0.456 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 5.5 | 173.7 | -85.4 | -99.6 | 0 | 0 | 0 | 113.6 | I192 E195 V246 A247 H248 K252 | I192-F250 HydrophobicContact CD1-CB 4.11Å; I192-F250 HydrophobicContact CD1-CD1 3.99Å; I192-F250 HydrophobicContact CD1-CG 4.2Å; I192-F250 HydrophobicContact CG1-CB 4.34Å; I192-F250 HydrophobicContact CG1-CD1 3.54Å; I192-F250 HydrophobicContact CG1-CE1 3.85Å; I192-F250 HydrophobicContact CG1-CG 3.89Å; I192-F250 HydrophobicContact CG1-CZ 4.47Å; E195-F250 HydrophobicContact CB-CE2 4.2Å; E195-F250 HydrophobicContact CB-CZ 4.46Å; E195-F250 HydrophobicContact CG-CE2 4.1Å; V246-F250 HydrophobicContact CG1-CD2 3.95Å; V246-F250 HydrophobicContact CG1-CE2 4.05Å; V246-F250 WeakPolarHBondContact O-CD2 3.44Å; V246-F250 PolarHBondContact O-N 3.07Å; A247-F250 CarbonylContact O-C 3.58Å; A247-F250 PolarHBondContact O-N 3.42Å; A247-F250 VanDerWaalsContact O-N 3.1Å; H248-F250 VanDerWaalsContact C-N 3.26Å; H248-F250 PolarHBondContact O-N 3.43Å; F250-K252 VanDerWaalsContact C-N 3.3Å |
| 251 | G | 98.6 | Very high | 98.7 | Very high | 59 Ų | 59 | 40.7 Ų | 40.7 | 61% | 0.608 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75 | 18.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | A247 H248 R249 | A247-G251 PolarHBondContact O-N 3Å; H248-G251 PolarHBondContact O-N 3.22Å; R249-G251 VanDerWaalsContact C-N 3.26Å |
| 252 | K | 98.8 | Very high | 98.6 | Very high | 23 Ų | 23 | 48.4 Ų | 48.4 | 10% | 0.1 | 24% | 0.242 | C | C | . | . | trans | -106.3 | 170.5 | 174.1 | -69.2 | -158.7 | 171.6 | -73.1 | 0 | 111.5 | L135 F136 D137 D154 I192 A247 H248 F250 | L135-K252 HydrophobicContact CB-CD 3.95Å; F136-K252 CarbonylContact O-C 3.44Å; F136-K252 WeakPolarHBondContact O-CA 3.48Å; F136-K252 WeakPolarHBondContact O-CB 3.34Å; D137-K252 VanDerWaalsContact CG-NZ 3.3Å; D137-K252 IonicContact OD1-NZ 2.76Å; D137-K252 PolarHBondContact OD1-NZ 3.07Å; D137-K252 IonicContact OD2-NZ 2.76Å; D137-K252 PolarHBondContact OD2-NZ 3.42Å; D154-K252 IonicContact OD1-NZ 3.5Å; D154-K252 PolarHBondContact OD1-NZ 3.45Å; I192-K252 HydrophobicContact CD1-CD 3.98Å; A247-K252 CarbonylContact C-O 3.59Å; A247-K252 VanDerWaalsContact C-O 3.28Å; A247-K252 HydrophobicContact CB-CB 4.25Å; A247-K252 CarbonylContact O-C 3.52Å; A247-K252 WeakPolarHBondContact O-CA 3.31Å; A247-K252 PolarHBondContact O-N 3.42Å; A247-K252 VanDerWaalsContact O-O 3.12Å; H248-K252 WeakPolarHBondContact CA-O 3.43Å; H248-K252 PolarHBondContact N-O 3.14Å; F250-K252 VanDerWaalsContact C-N 3.3Å | ||
| 253 | T | 98.8 | Very high | 98.4 | Very high | 51 Ų | 51 | 49.7 Ų | 49.7 | 31% | 0.313 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 120.7 | 170.3 | 176.4 | 0 | 0 | 0 | 0 | 109.6 | F136 I139 | F136-T253 HydrophobicContact CB-CG2 3.99Å; F136-T253 PolarHBondContact N-O 3.32Å; F136-T253 PolarHBondContact O-N 3.07Å; I139-T253 HydrophobicContact CB-CG2 4.39Å; I139-T253 HydrophobicContact CG2-CG2 3.73Å |
| 254 | A | 98.9 | Very high | 98.2 | Very high | 9 Ų | 9 | 49.9 Ų | 49.9 | 7% | 0.074 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 148.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F134 L135 V243 H244 A247 | F134-A254 CarbonylContact O-C 3.16Å; F134-A254 WeakPolarHBondContact O-CA 3.41Å; L135-A254 HydrophobicContact CD2-CB 3.64Å; V243-A254 HydrophobicContact CG1-CB 3.7Å; H244-A254 PolarHBondContact CD2-O 3.4Å; A247-A254 HydrophobicContact CB-CB 3.76Å |
| 255 | T | 98.9 | Very high | 97.9 | Very high | 24 Ų | 24 | 47.5 Ų | 47.5 | 15% | 0.147 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 142.6 | 170.4 | -174.9 | 0 | 0 | 0 | 0 | 112.4 | F133 F134 F136 M257 | F133-T255 WeakPolarHBondContact CA-O 3.46Å; F133-T255 WeakPolarHBondContact CB-O 3.34Å; F134-T255 HydrophobicContact CB-CG2 3.84Å; F134-T255 PolarHBondContact N-O 3.48Å; F134-T255 PolarHBondContact O-N 2.83Å; F136-T255 HydrophobicContact CD2-CG2 4.1Å; F136-T255 HydrophobicContact CE2-CG2 3.54Å; F136-T255 HydrophobicContact CZ-CG2 4.25Å; T255-M257 VanDerWaalsContact OG1-CG 3.31Å; T255-M257 WeakPolarHBondContact OG1-CG 3.45Å; T255-M257 PolarHBondContact OG1-N 2.78Å |
| 256 | F | 98.9 | Very high | 97.8 | Very high | 15 Ų | 15 | 45.8 Ų | 45.8 | 7% | 0.066 | 24% | 0.238 | C | C | . | . | trans | -104.2 | 13.5 | 174.8 | -78.2 | -81.4 | 0 | 0 | 0 | 112.1 | P131 E132 F133 Y239 K240 V243 H244 P364 | P131-F256 HydrophobicContact CB-CE1 4.32Å; E132-F256 WeakPolarHBondContact O-CD1 3.47Å; F133-F256 HydrophobicContact CB-CD1 3.82Å; F133-F256 HydrophobicContact CB-CE1 3.65Å; F133-F256 HydrophobicContact CB-CE2 4.38Å; F133-F256 HydrophobicContact CB-CG 4.3Å; F133-F256 HydrophobicContact CB-CZ 3.95Å; F133-F256 HydrophobicContact CD1-CE1 4.05Å; F133-F256 HydrophobicContact CD1-CZ 4.19Å; F133-F256 HydrophobicContact CG-CE1 4.19Å; F133-F256 HydrophobicContact CG-CZ 4.21Å; Y239-F256 AromaticContact CD1-CE1 3.99Å; Y239-F256 HydrophobicContact CD1-CE1 3.99Å; Y239-F256 AromaticContact CD1-CZ 3.78Å; Y239-F256 HydrophobicContact CD1-CZ 3.78Å; Y239-F256 AromaticContact CE1-CE1 3.64Å; Y239-F256 HydrophobicContact CE1-CE1 3.64Å; Y239-F256 AromaticContact CE1-CZ 3.64Å; Y239-F256 HydrophobicContact CE1-CZ 3.64Å; K240-F256 HydrophobicContact CB-CD2 4.37Å; K240-F256 HydrophobicContact CB-CE2 3.91Å; K240-F256 HydrophobicContact CB-CZ 4.22Å; K240-F256 HydrophobicContact CG-CD1 4.31Å; K240-F256 HydrophobicContact CG-CD2 4Å; K240-F256 HydrophobicContact CG-CE1 4.06Å; K240-F256 HydrophobicContact CG-CE2 3.75Å; K240-F256 HydrophobicContact CG-CG 4.26Å; K240-F256 HydrophobicContact CG-CZ 3.77Å; V243-F256 HydrophobicContact CB-CE2 3.92Å; V243-F256 HydrophobicContact CB-CZ 3.78Å; V243-F256 HydrophobicContact CG1-CE2 3.71Å; V243-F256 HydrophobicContact CG1-CZ 3.72Å; V243-F256 HydrophobicContact CG2-CZ 4Å; H244-F256 AromaticContact CE1-CD2 3.59Å; H244-F256 AromaticContact CE1-CE2 3.84Å; H244-F256 AromaticContact NE2-CD2 3.51Å; H244-F256 AromaticContact NE2-CE2 3.91Å; F256-P364 HydrophobicContact CB-CB 3.88Å; F256-P364 HydrophobicContact CD1-CB 3.6Å; F256-P364 HydrophobicContact CD1-CG 4.3Å; F256-P364 HydrophobicContact CG-CB 4.2Å | ||
| 257 | M | 98.7 | Very high | 97.7 | Very high | 85 Ų | 85 | 45.7 Ų | 45.7 | 42% | 0.419 | 24% | 0.237 | S | C | . | . | trans | -62.8 | 137.6 | 177.7 | -72.3 | -174.1 | -24.2 | 0 | 0 | 110.9 | T255 K259 P260 | T255-M257 VanDerWaalsContact OG1-CG 3.31Å; T255-M257 WeakPolarHBondContact OG1-CG 3.45Å; T255-M257 PolarHBondContact OG1-N 2.78Å; M257-K259 VanDerWaalsContact C-N 3.31Å; M257-K259 PolarHBondContact O-N 2.9Å; M257-P260 HydrophobicContact CE-CB 3.97Å | ||
| 258 | P | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -62.8 | -31.9 | -174.6 | -27.2 | 36 | 0 | 0 | 0 | 115 | G266 S267 N318 R322 D363 A365 | P258-G266 CarbonylContact O-C 3.37Å; P258-G266 WeakPolarHBondContact O-CA 3.35Å; P258-S267 PolarHBondContact O-N 2.77Å; P258-N318 VanDerWaalsContact CD-OD1 3.25Å; P258-N318 WeakPolarHBondContact CD-OD1 3.44Å; P258-R322 HydrophobicContact CB-CB 4.06Å; P258-D363 HydrophobicContact CB-CB 3.94Å; P258-D363 HydrophobicContact CG-CB 3.77Å; P258-D363 VanDerWaalsContact CG-OD1 3.31Å; P258-D363 WeakPolarHBondContact CG-OD1 3.13Å; P258-A365 HydrophobicContact CG-CB 4.04Å |
| 259 | K | 98.2 | Very high | 97.6 | Very high | 14 Ų | 14 | 38.9 Ų | 38.9 | 6% | 0.061 | 21% | 0.206 | C | C | . | . | trans | -146.7 | 79 | -176.4 | -164.1 | 70.3 | 162 | -174.3 | 0 | 111 | M257 M261 D264 N318 K321 R322 | M257-K259 VanDerWaalsContact C-N 3.31Å; M257-K259 PolarHBondContact O-N 2.9Å; K259-M261 VanDerWaalsContact C-N 3.34Å; K259-M261 WeakPolarHBondContact CE-O 3.22Å; K259-D264 PolarHBondContact NZ-O 3.19Å; K259-N318 PolarHBondContact N-OD1 2.88Å; K259-N318 PolarHBondContact O-ND2 3.23Å; K259-N318 PolarHBondContact O-OD1 2.92Å; K259-K321 HydrophobicContact CB-CB 3.91Å; K259-K321 WeakPolarHBondContact CE-O 3.47Å; K259-K321 HydrophobicContact CG-CB 3.91Å; K259-K321 WeakPolarHBondContact CG-O 3.47Å; K259-R322 HydrophobicContact CB-CB 4.26Å | ||
| 260 | P | 98.3 | Very high | 97.6 | Very high | 19 Ų | 19 | 32.7 Ų | 32.7 | 12% | 0.123 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -72.1 | -29.7 | 177.7 | 28 | -32 | 0 | 0 | 0 | 112.3 | F134 F136 I152 M257 | F134-P260 HydrophobicContact CD1-CG 4.45Å; F134-P260 HydrophobicContact CD2-CG 3.41Å; F134-P260 VanDerWaalsContact CD2-CG 3.41Å; F134-P260 HydrophobicContact CE1-CG 4.47Å; F134-P260 HydrophobicContact CE2-CG 3.44Å; F134-P260 VanDerWaalsContact CE2-CG 3.44Å; F134-P260 HydrophobicContact CG-CG 3.93Å; F134-P260 HydrophobicContact CZ-CG 4Å; F136-P260 HydrophobicContact CE2-CB 4.08Å; F136-P260 HydrophobicContact CZ-CB 3.93Å; F136-P260 HydrophobicContact CZ-CG 4.03Å; I152-P260 HydrophobicContact CD1-CB 4.05Å; I152-P260 WeakPolarHBondContact CD1-O 3.25Å; M257-P260 HydrophobicContact CE-CB 3.97Å |
| 261 | M | 98 | Very high | 97.6 | Very high | 19 Ų | 19 | 27.7 Ų | 27.7 | 9% | 0.094 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -125.8 | 139.2 | -177.2 | -63.2 | -179.8 | -74.3 | 0 | 0 | 112.3 | F134 F136 I152 W159 T216 A217 K259 | F134-M261 HydrophobicContact CD1-CE 3.86Å; F134-M261 HydrophobicContact CE1-CE 3.21Å; F134-M261 HydrophobicContact CZ-CE 3.83Å; F136-M261 HydrophobicContact CE1-CE 4.35Å; I152-M261 HydrophobicContact CD1-CG 3.86Å; W159-M261 HydrophobicContact CH2-SD 3.52Å; W159-M261 VanDerWaalsContact CH2-SD 3.52Å; W159-M261 HydrophobicContact CZ3-SD 3.68Å; T216-M261 WeakPolarHBondContact O-CE 3.29Å; A217-M261 HydrophobicContact CB-CE 4.02Å; A217-M261 HydrophobicContact CB-SD 4.15Å; K259-M261 VanDerWaalsContact C-N 3.34Å; K259-M261 WeakPolarHBondContact CE-O 3.22Å |
| 262 | F | 96.6 | Very high | 97.6 | Very high | 193 Ų | 193 | 25.6 Ų | 25.6 | 85% | 0.846 | 14% | 0.136 | S | C | * | . | S | Bend | trans | -81.2 | 141.9 | 167.8 | 174 | -103.7 | 0 | 0 | 0 | 110.2 | ||
| 263 | G | 94.8 | Very high | 97.6 | Very high | 27 Ų | 27 | 24.6 Ų | 24.6 | 28% | 0.278 | 13% | 0.131 | S | C | . | . | S | Bend | trans | 92.9 | -16.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 264 | D | 95.3 | Very high | 97.6 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 3% | 0.027 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -118 | -179.5 | 174.3 | -145 | -28.1 | 0 | 0 | 0 | 112.2 | V176 K177 A215 T216 K259 Y327 | V176-D264 WeakPolarHBondContact CA-OD2 3.26Å; V176-D264 HydrophobicContact CG1-CB 4.24Å; K177-D264 WeakPolarHBondContact CA-OD1 3.48Å; K177-D264 WeakPolarHBondContact CG-OD1 3.23Å; K177-D264 PolarHBondContact N-OD1 3.01Å; K177-D264 VanDerWaalsContact N-OD1 3.12Å; K177-D264 PolarHBondContact N-OD2 2.72Å; A215-D264 VanDerWaalsContact CA-CG 3.43Å; A215-D264 VanDerWaalsContact CA-OD1 3.29Å; A215-D264 WeakPolarHBondContact CA-OD1 3.37Å; A215-D264 WeakPolarHBondContact CA-OD2 3.32Å; A215-D264 HydrophobicContact CB-CB 3.89Å; A215-D264 WeakPolarHBondContact CB-OD1 3.35Å; T216-D264 WeakPolarHBondContact CG2-OD2 3.42Å; T216-D264 PolarHBondContact N-OD2 3.22Å; K259-D264 PolarHBondContact NZ-O 3.19Å; D264-Y327 WeakPolarHBondContact O-CD1 3.35Å |
| 265 | N | 93 | Very high | 97.6 | Very high | 12 Ų | 12 | 22.3 Ų | 22.3 | 6% | 0.064 | 12% | 0.117 | C | C | . | . | P | Polyproline II helix | trans | -61.4 | 151.9 | 177.3 | -79 | 34.5 | 0 | 0 | 0 | 111.9 | K177 V214 A215 | K177-N265 PolarHBondContact NZ-OD1 2.69Å; V214-N265 HydrophobicContact CB-CB 4.06Å; V214-N265 WeakPolarHBondContact CB-ND2 3.31Å; V214-N265 HydrophobicContact CG1-CB 4.16Å; V214-N265 VanDerWaalsContact CG1-CG 3.41Å; V214-N265 WeakPolarHBondContact CG1-ND2 3.39Å; A215-N265 HydrophobicContact CB-CB 4.25Å |
| 266 | G | 95.6 | Very high | 97.5 | Very high | 8 Ų | 8 | 21.9 Ų | 21.9 | 8% | 0.082 | 12% | 0.115 | C | C | . | . | P | Polyproline II helix | trans | -100.7 | 171.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q219 P258 | Q219-G266 PolarHBondContact NE2-O 3.01Å; P258-G266 CarbonylContact O-C 3.37Å; P258-G266 WeakPolarHBondContact O-CA 3.35Å |
| 267 | S | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.129 | C | C | . | . | P | Polyproline II helix | trans | -90.6 | 119.2 | 177.5 | -63 | 0 | 0 | 0 | 0 | 111.9 | E132 F134 P258 R322 P364 | E132-S267 VanDerWaalsContact OE2-CA 3.24Å; E132-S267 WeakPolarHBondContact OE2-CA 3.18Å; F134-S267 VanDerWaalsContact CD2-OG 3.29Å; F134-S267 WeakPolarHBondContact CD2-OG 3.45Å; F134-S267 VanDerWaalsContact CE2-OG 3.28Å; F134-S267 WeakPolarHBondContact CE2-OG 3.37Å; P258-S267 PolarHBondContact O-N 2.77Å; S267-R322 WeakPolarHBondContact O-CD 3.34Å; S267-R322 PolarHBondContact O-NE 3.24Å; S267-P364 VanDerWaalsContact O-CD 3.25Å; S267-P364 WeakPolarHBondContact O-CD 3.42Å |
| 268 | G | 96.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -94.5 | 168.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | E132 R322 P364 | E132-G268 PolarHBondContact N-O 3.46Å; E132-G268 PolarHBondContact OE2-N 2.8Å; G268-R322 VanDerWaalsContact CA-CZ 3.47Å; G268-R322 VanDerWaalsContact CA-NH2 3.32Å; G268-P364 WeakPolarHBondContact O-CG 3.18Å |
| 269 | M | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 73.7 | 165.3 | -171.8 | 179.1 | 66.6 | 0 | 0 | 108.9 | P129 E130 P131 I236 C271 P362 P364 A366 F372 | P129-M269 HydrophobicContact CB-CG 3.83Å; P129-M269 HydrophobicContact CB-SD 4.1Å; E130-M269 VanDerWaalsContact O-CA 3.32Å; E130-M269 WeakPolarHBondContact O-CA 3.32Å; P131-M269 HydrophobicContact CB-CG 4.09Å; P131-M269 HydrophobicContact CB-SD 4.41Å; I236-M269 HydrophobicContact CD1-SD 4.42Å; M269-C271 PolarHBondContact O-N 3.35Å; M269-C271 PolarHBondContact O-SG 2.85Å; M269-C271 VanDerWaalsContact O-SG 3.33Å; M269-P362 HydrophobicContact CE-CB 4.32Å; M269-P362 PolarHBondContact N-O 3.45Å; M269-P362 WeakPolarHBondContact O-CB 3.5Å; M269-P364 HydrophobicContact CB-CG 4.13Å; M269-A366 HydrophobicContact CE-CB 3.89Å; M269-F372 HydrophobicContact CE-CE1 3.95Å |
| 270 | H | 97.8 | Very high | 97.2 | Very high | 18 Ų | 18 | 35 Ų | 35 | 8% | 0.083 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 128.6 | 179.5 | -54.4 | 147 | 0 | 0 | 0 | 109.8 | P129 E130 E358 R360 | P129-H270 CarbonylContact C-O 3.59Å; P129-H270 WeakPolarHBondContact CA-O 3.32Å; E130-H270 HydrophobicContact CB-CB 4.21Å; E130-H270 PolarHBondContact N-O 3.16Å; E130-H270 WeakPolarHBondContact OE2-CB 2.95Å; E130-H270 IonicContact OE2-CG 2.96Å; E130-H270 IonicContact OE2-ND1 3.36Å; E130-H270 PolarHBondContact OE2-ND1 3.37Å; H270-E358 HydrophobicContact CB-CG 3.88Å; H270-R360 PolarHBondContact NE2-NE 2.95Å; H270-R360 PolarHBondContact NE2-NH2 3Å |
| 271 | C | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 103.4 | -176.7 | -70.3 | 0 | 0 | 0 | 0 | 110.1 | M269 M273 E358 V359 P362 L375 | M269-C271 PolarHBondContact O-N 3.35Å; M269-C271 PolarHBondContact O-SG 2.85Å; M269-C271 VanDerWaalsContact O-SG 3.33Å; C271-M273 HydrophobicContact CB-CE 4.39Å; C271-E358 WeakPolarHBondContact O-CA 3.44Å; C271-V359 PolarHBondContact N-O 3.26Å; C271-V359 PolarHBondContact O-N 2.85Å; C271-P362 HydrophobicContact CB-CG 4.49Å; C271-L375 HydrophobicContact CB-CD1 4.04Å |
| 272 | H | 98.7 | Very high | 97.2 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 7% | 0.069 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 131.8 | 167.4 | -70.5 | -70.4 | 0 | 0 | 0 | 111.2 | F127 G128 E130 R356 I357 E358 | F127-H272 CarbonylContact C-O 3.18Å; F127-H272 VanDerWaalsContact CA-O 3.32Å; F127-H272 WeakPolarHBondContact CA-O 3.45Å; G128-H272 PolarHBondContact N-O 3.18Å; G128-H272 VanDerWaalsContact O-CB 3.3Å; G128-H272 WeakPolarHBondContact O-CB 3.44Å; G128-H272 PolarHBondContact O-CD2 3.23Å; G128-H272 VanDerWaalsContact O-CD2 3.3Å; G128-H272 PolarHBondContact O-N 2.99Å; E130-H272 IonicContact OE1-CD2 3.51Å; E130-H272 IonicContact OE1-NE2 3.02Å; E130-H272 PolarHBondContact OE1-NE2 3.25Å; E130-H272 VanDerWaalsContact OE1-NE2 3.13Å; E130-H272 IonicContact OE2-NE2 3.84Å; H272-R356 PolarHBondContact ND1-NE 2.76Å; H272-R356 VanDerWaalsContact ND1-NE 3.18Å; H272-I357 CarbonylContact C-O 3.56Å; H272-I357 VanDerWaalsContact CA-O 3.27Å; H272-I357 WeakPolarHBondContact CA-O 3.06Å; H272-E358 IonicContact CE1-OE1 3.87Å; H272-E358 PolarHBondContact CE1-OE1 2.93Å; H272-E358 IonicContact NE2-OE1 2.93Å; H272-E358 PolarHBondContact NE2-OE1 3.19Å |
| 273 | M | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 142 | -177.3 | -72 | 171.7 | -74 | 0 | 0 | 113.6 | L126 F127 C271 F283 Y298 R356 I357 V359 L375 | L126-M273 WeakPolarHBondContact O-CA 3.06Å; F127-M273 HydrophobicContact CD1-CG 3.72Å; F127-M273 HydrophobicContact CD1-SD 4.24Å; F127-M273 HydrophobicContact CD2-CG 4.49Å; F127-M273 HydrophobicContact CE1-CG 3.44Å; F127-M273 VanDerWaalsContact CE1-CG 3.44Å; F127-M273 HydrophobicContact CE1-SD 3.37Å; F127-M273 WeakPolarHBondContact CE1-SD 3.48Å; F127-M273 HydrophobicContact CE2-CG 4.28Å; F127-M273 HydrophobicContact CE2-SD 4.48Å; F127-M273 HydrophobicContact CG-CG 4.24Å; F127-M273 HydrophobicContact CZ-CG 3.75Å; F127-M273 HydrophobicContact CZ-SD 3.52Å; F127-M273 VanDerWaalsContact CZ-SD 3.52Å; C271-M273 HydrophobicContact CB-CE 4.39Å; M273-F283 WeakPolarHBondContact O-CD2 3.46Å; M273-F283 WeakPolarHBondContact O-CE2 3.25Å; M273-Y298 HydrophobicContact SD-CE1 4.23Å; M273-R356 WeakPolarHBondContact O-CA 3.44Å; M273-R356 VanDerWaalsContact O-CB 3.3Å; M273-R356 WeakPolarHBondContact O-CB 2.96Å; M273-I357 HydrophobicContact CB-CG1 4.03Å; M273-I357 HydrophobicContact CE-CD1 4.21Å; M273-I357 HydrophobicContact CE-CG1 4.29Å; M273-I357 PolarHBondContact N-O 3.47Å; M273-I357 PolarHBondContact O-N 3.41Å; M273-V359 HydrophobicContact CE-CB 3.59Å; M273-V359 HydrophobicContact CE-CG2 3.16Å; M273-L375 HydrophobicContact CE-CB 4.39Å; M273-L375 HydrophobicContact CE-CD1 4.14Å; M273-L375 HydrophobicContact CE-CD2 4.18Å; M273-L375 HydrophobicContact CE-CG 4.49Å; M273-L375 HydrophobicContact SD-CB 3.71Å; M273-L375 HydrophobicContact SD-CD1 4.06Å; M273-L375 HydrophobicContact SD-CG 4.33Å |
| 274 | S | 98.6 | Very high | 97.4 | Very high | 12 Ų | 12 | 27 Ų | 27 | 8% | 0.084 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 149.6 | 168.1 | 62.1 | 0 | 0 | 0 | 0 | 111.8 | L126 | L126-S274 PolarHBondContact N-O 2.94Å; L126-S274 PolarHBondContact O-N 3.48Å |
| 275 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 143 | 170.6 | -63.5 | -178.6 | 0 | 0 | 0 | 110.7 | L116 I121 A122 V125 L282 F283 Y298 L376 I383 | L116-L275 HydrophobicContact CD1-CD1 4.45Å; L116-L275 HydrophobicContact CD1-CD2 4.06Å; L116-L275 HydrophobicContact CD2-CD2 4.03Å; I121-L275 HydrophobicContact CG2-CD1 4.15Å; A122-L275 HydrophobicContact CB-CB 3.87Å; A122-L275 HydrophobicContact CB-CD1 4.35Å; A122-L275 HydrophobicContact CB-CD2 4.35Å; A122-L275 HydrophobicContact CB-CG 4.42Å; V125-L275 HydrophobicContact CB-CD2 3.7Å; V125-L275 HydrophobicContact CG2-CD2 3.89Å; L275-L282 HydrophobicContact CB-CB 4.44Å; L275-L282 HydrophobicContact CB-CD1 4.43Å; L275-L282 WeakPolarHBondContact O-CB 3.41Å; L275-L282 PolarHBondContact O-N 3.04Å; L275-F283 HydrophobicContact CB-CD1 4.14Å; L275-F283 HydrophobicContact CB-CE1 3.74Å; L275-F283 HydrophobicContact CD1-CE1 3.95Å; L275-F283 HydrophobicContact CG-CD1 4.49Å; L275-F283 HydrophobicContact CG-CE1 3.62Å; L275-F283 HydrophobicContact CG-CZ 4.06Å; L275-Y298 HydrophobicContact CD1-CD2 4.06Å; L275-Y298 HydrophobicContact CD1-CE2 4.16Å; L275-Y298 HydrophobicContact CD2-CE2 4.47Å; L275-Y298 HydrophobicContact CG-CD2 4.47Å; L275-Y298 HydrophobicContact CG-CE2 4.28Å; L275-L376 HydrophobicContact CD2-CD1 4.08Å; L275-I383 HydrophobicContact CD1-CD1 3.75Å |
| 276 | S | 98 | Very high | 97.7 | Very high | 16 Ų | 16 | 34.4 Ų | 34.4 | 11% | 0.112 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 149.2 | 175.5 | -64.3 | 0 | 0 | 0 | 0 | 111.6 | A122 D123 T124 V280 | A122-S276 VanDerWaalsContact CB-O 3.32Å; A122-S276 WeakPolarHBondContact CB-O 3.31Å; D123-S276 PolarHBondContact N-O 3.3Å; T124-S276 PolarHBondContact N-O 2.62Å; T124-S276 PolarHBondContact O-N 3.45Å; S276-V280 CarbonylContact C-O 3.28Å; S276-V280 VanDerWaalsContact CA-O 3.24Å; S276-V280 WeakPolarHBondContact CA-O 3.31Å |
| 277 | K | 98.1 | Very high | 97.7 | Very high | 80 Ų | 80 | 38 Ų | 38 | 35% | 0.348 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 128.5 | 172.8 | -169.5 | 173.1 | -174.8 | 176 | 0 | 110.5 | G120 D123 G279 V280 L282 | G120-K277 PolarHBondContact O-NZ 3.17Å; D123-K277 VanDerWaalsContact OD2-CA 3.32Å; D123-K277 WeakPolarHBondContact OD2-CA 3.19Å; K277-G279 PolarHBondContact O-N 3.41Å; K277-V280 PolarHBondContact N-O 3.09Å; K277-V280 WeakPolarHBondContact O-CB 3.34Å; K277-V280 PolarHBondContact O-N 2.95Å; K277-L282 HydrophobicContact CB-CD1 3.86Å; K277-L282 HydrophobicContact CB-CD2 4.09Å; K277-L282 HydrophobicContact CB-CG 4.16Å |
| 278 | N | 97.1 | Very high | 97.6 | Very high | 139 Ų | 139 | 41.3 Ų | 41.3 | 74% | 0.743 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 39.6 | -177.1 | -57 | -42.2 | 0 | 0 | 0 | 112.6 | D123 V280 | D123-N278 PolarHBondContact OD2-N 2.89Å; N278-V280 VanDerWaalsContact C-N 3.27Å; N278-V280 PolarHBondContact O-N 3.1Å |
| 279 | G | 94.9 | Very high | 97.6 | Very high | 77 Ų | 77 | 42.8 Ų | 42.8 | 79% | 0.794 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 4.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K277 | K277-G279 PolarHBondContact O-N 3.41Š|
| 280 | V | 97.3 | Very high | 97.4 | Very high | 94 Ų | 94 | 43.9 Ų | 43.9 | 57% | 0.57 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 128.3 | 175.8 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | S276 K277 N278 L282 | S276-V280 CarbonylContact C-O 3.28Å; S276-V280 VanDerWaalsContact CA-O 3.24Å; S276-V280 WeakPolarHBondContact CA-O 3.31Å; K277-V280 PolarHBondContact N-O 3.09Å; K277-V280 WeakPolarHBondContact O-CB 3.34Å; K277-V280 PolarHBondContact O-N 2.95Å; N278-V280 VanDerWaalsContact C-N 3.27Å; N278-V280 PolarHBondContact O-N 3.1Å; V280-L282 PolarHBondContact O-N 3.35Å |
| 281 | N | 98.1 | Very high | 97.5 | Very high | 21 Ų | 21 | 43 Ų | 43 | 11% | 0.112 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 115 | 174.9 | -178.1 | -19 | 0 | 0 | 0 | 109.9 | F283 P352 K353 R355 | N281-F283 VanDerWaalsContact C-N 3.3Å; N281-F283 PolarHBondContact O-N 3.08Å; N281-F283 WeakPolarHBondContact OD1-CB 3.38Å; N281-F283 PolarHBondContact OD1-N 3.45Å; N281-P352 PolarHBondContact ND2-O 3.12Å; N281-K353 PolarHBondContact ND2-O 3.36Å; N281-R355 PolarHBondContact ND2-O 3.32Å |
| 282 | L | 98.3 | Very high | 97.4 | Very high | 41 Ų | 41 | 43.7 Ų | 43.7 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -10.5 | -176.5 | -59.6 | -177.2 | 0 | 0 | 0 | 113.5 | I121 A122 L275 K277 V280 S292 Q294 | I121-L282 VanDerWaalsContact O-CD1 3.26Å; I121-L282 WeakPolarHBondContact O-CD1 3.47Å; A122-L282 HydrophobicContact CB-CD1 3.79Å; L275-L282 HydrophobicContact CB-CB 4.44Å; L275-L282 HydrophobicContact CB-CD1 4.43Å; L275-L282 WeakPolarHBondContact O-CB 3.41Å; L275-L282 PolarHBondContact O-N 3.04Å; K277-L282 HydrophobicContact CB-CD1 3.86Å; K277-L282 HydrophobicContact CB-CD2 4.09Å; K277-L282 HydrophobicContact CB-CG 4.16Å; V280-L282 PolarHBondContact O-N 3.35Å; L282-S292 VanDerWaalsContact O-CB 3.24Å; L282-S292 WeakPolarHBondContact O-CB 3.32Å; L282-S292 PolarHBondContact O-OG 3.4Å; L282-Q294 VanDerWaalsContact CD1-OE1 3.3Å |
| 283 | F | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -11.5 | 177.7 | -80.3 | 22.9 | 0 | 0 | 0 | 112.8 | M273 L275 N281 L291 S292 A295 Y298 I357 | M273-F283 WeakPolarHBondContact O-CD2 3.46Å; M273-F283 WeakPolarHBondContact O-CE2 3.25Å; L275-F283 HydrophobicContact CB-CD1 4.14Å; L275-F283 HydrophobicContact CB-CE1 3.74Å; L275-F283 HydrophobicContact CD1-CE1 3.95Å; L275-F283 HydrophobicContact CG-CD1 4.49Å; L275-F283 HydrophobicContact CG-CE1 3.62Å; L275-F283 HydrophobicContact CG-CZ 4.06Å; N281-F283 VanDerWaalsContact C-N 3.3Å; N281-F283 PolarHBondContact O-N 3.08Å; N281-F283 WeakPolarHBondContact OD1-CB 3.38Å; N281-F283 PolarHBondContact OD1-N 3.45Å; F283-L291 CarbonylContact O-C 3.59Å; F283-L291 VanDerWaalsContact O-CA 3.29Å; F283-L291 WeakPolarHBondContact O-CA 3.27Å; F283-S292 PolarHBondContact O-N 2.99Å; F283-A295 HydrophobicContact CB-CB 3.95Å; F283-A295 HydrophobicContact CD1-CB 3.97Å; F283-A295 HydrophobicContact CD2-CB 3.98Å; F283-A295 HydrophobicContact CE1-CB 4.46Å; F283-A295 HydrophobicContact CE2-CB 4.48Å; F283-A295 HydrophobicContact CG-CB 3.71Å; F283-Y298 HydrophobicContact CE1-CD2 4.17Å; F283-Y298 HydrophobicContact CE1-CG 4.4Å; F283-Y298 HydrophobicContact CE2-CG 4.46Å; F283-Y298 HydrophobicContact CZ-CD1 4.15Å; F283-Y298 AromaticContact CZ-CD2 3.63Å; F283-Y298 HydrophobicContact CZ-CD2 3.63Å; F283-Y298 HydrophobicContact CZ-CE2 4.1Å; F283-Y298 AromaticContact CZ-CG 3.64Å; F283-Y298 HydrophobicContact CZ-CG 3.64Å; F283-I357 HydrophobicContact CD2-CG2 4.09Å; F283-I357 HydrophobicContact CE2-CD1 4.11Å; F283-I357 HydrophobicContact CE2-CG1 4.06Å; F283-I357 HydrophobicContact CE2-CG2 4.06Å |
| 284 | A | 98 | Very high | 97.3 | Very high | 29 Ų | 29 | 49.7 Ų | 49.7 | 24% | 0.24 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -80.7 | 134 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | P352 R355 | A284-P352 HydrophobicContact CB-CB 3.89Å; A284-P352 WeakPolarHBondContact CB-O 3.24Å; A284-R355 HydrophobicContact CB-CB 4.09Å |
| 285 | G | 96.9 | Very high | 97.3 | Very high | 38 Ų | 38 | 49.1 Ų | 49.1 | 39% | 0.392 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -168.1 | -159.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | G290 L291 | G285-G290 PolarHBondContact N-O 2.78Å; G285-G290 CarbonylContact O-C 3.11Å; G285-G290 VanDerWaalsContact O-C 3.29Å; G285-G290 WeakPolarHBondContact O-CA 3.39Å; G285-L291 CarbonylContact C-O 3.58Å; G285-L291 VanDerWaalsContact CA-O 3.27Å; G285-L291 WeakPolarHBondContact CA-O 3.36Å |
| 286 | D | 96.4 | Very high | 97.3 | Very high | 133 Ų | 133 | 49.8 Ų | 49.8 | 71% | 0.711 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -107 | 7.9 | -173.3 | 66 | -17.6 | 0 | 0 | 0 | 113.6 | L291 | D286-L291 PolarHBondContact N-O 3.1Š|
| 287 | K | 96.6 | Very high | 97.4 | Very high | 85 Ų | 85 | 50.4 Ų | 50.4 | 37% | 0.37 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -89.3 | -169 | 179.1 | -53.3 | -66.4 | 178 | -87.1 | 0 | 110.7 | A289 G290 L291 L296 | K287-A289 PolarHBondContact O-N 3.5Å; K287-G290 PolarHBondContact O-N 3.26Å; K287-L291 WeakPolarHBondContact CA-O 3.43Å; K287-L291 VanDerWaalsContact CB-O 3.26Å; K287-L291 WeakPolarHBondContact CB-O 3.49Å; K287-L291 PolarHBondContact N-O 2.89Å; K287-L296 HydrophobicContact CB-CD1 3.87Å; K287-L296 HydrophobicContact CG-CD1 4.12Å |
| 288 | Y | 95.8 | Very high | 97.4 | Very high | 68 Ų | 68 | 46.6 Ų | 46.6 | 27% | 0.267 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -46.5 | 130.7 | -177.6 | 178.8 | -91.2 | 0 | 0 | 0 | 112 | G290 L291 Y335 A337 A392 D394 | Y288-G290 PolarHBondContact O-N 3.01Å; Y288-G290 VanDerWaalsContact O-N 3.09Å; Y288-L291 VanDerWaalsContact O-CB 3.29Å; Y288-L291 WeakPolarHBondContact O-CB 3.31Å; Y288-L291 VanDerWaalsContact O-CG 3.31Å; Y288-L291 WeakPolarHBondContact O-CG 3.46Å; Y288-L291 PolarHBondContact O-N 2.77Å; Y288-L291 VanDerWaalsContact O-N 3.08Å; Y288-Y335 HydrophobicContact CD1-CD2 4.34Å; Y288-Y335 AromaticContact CD1-CE2 3.89Å; Y288-Y335 HydrophobicContact CD1-CE2 3.89Å; Y288-Y335 HydrophobicContact CE1-CE2 4.38Å; Y288-Y335 HydrophobicContact CG-CE2 4.42Å; Y288-A337 HydrophobicContact CE1-CB 4Å; Y288-A337 PolarHBondContact OH-N 2.96Å; Y288-A337 VanDerWaalsContact OH-N 3.12Å; Y288-A392 HydrophobicContact CD1-CB 4.11Å; Y288-A392 HydrophobicContact CD2-CB 3.86Å; Y288-A392 HydrophobicContact CE1-CB 3.85Å; Y288-A392 HydrophobicContact CE2-CB 3.57Å; Y288-A392 HydrophobicContact CG-CB 4.13Å; Y288-D394 PolarHBondContact OH-OD1 3.48Å; Y288-D394 PolarHBondContact OH-OD2 3.29Å |
| 289 | A | 95 | Very high | 97.5 | Very high | 32 Ų | 32 | 40 Ų | 40 | 26% | 0.264 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | 53.3 | 26.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | K287 L291 A337 I346 R355 | K287-A289 PolarHBondContact O-N 3.5Å; A289-L291 VanDerWaalsContact C-N 3.34Å; A289-A337 HydrophobicContact CB-CB 3.8Å; A289-I346 HydrophobicContact CB-CB 4.3Å; A289-I346 HydrophobicContact CB-CG2 3.8Å; A289-R355 WeakPolarHBondContact O-CD 3.48Å; A289-R355 PolarHBondContact O-NE 2.67Å; A289-R355 PolarHBondContact O-NH1 2.94Å |
| 290 | G | 96.2 | Very high | 97.6 | Very high | 22 Ų | 22 | 36.4 Ų | 36.4 | 23% | 0.227 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | 76.6 | 21 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G285 K287 Y288 R355 | G285-G290 PolarHBondContact N-O 2.78Å; G285-G290 CarbonylContact O-C 3.11Å; G285-G290 VanDerWaalsContact O-C 3.29Å; G285-G290 WeakPolarHBondContact O-CA 3.39Å; K287-G290 PolarHBondContact O-N 3.26Å; Y288-G290 PolarHBondContact O-N 3.01Å; Y288-G290 VanDerWaalsContact O-N 3.09Å; G290-R355 WeakPolarHBondContact O-CG 3.48Å; G290-R355 PolarHBondContact O-NE 3.24Å |
| 291 | L | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | -78.9 | 157.2 | 174 | -67 | 175.9 | 0 | 0 | 0 | 111.9 | F283 G285 D286 K287 Y288 A289 A295 L296 I299 I346 R355 I357 | F283-L291 CarbonylContact O-C 3.59Å; F283-L291 VanDerWaalsContact O-CA 3.29Å; F283-L291 WeakPolarHBondContact O-CA 3.27Å; G285-L291 CarbonylContact C-O 3.58Å; G285-L291 VanDerWaalsContact CA-O 3.27Å; G285-L291 WeakPolarHBondContact CA-O 3.36Å; D286-L291 PolarHBondContact N-O 3.1Å; K287-L291 WeakPolarHBondContact CA-O 3.43Å; K287-L291 VanDerWaalsContact CB-O 3.26Å; K287-L291 WeakPolarHBondContact CB-O 3.49Å; K287-L291 PolarHBondContact N-O 2.89Å; Y288-L291 VanDerWaalsContact O-CB 3.29Å; Y288-L291 WeakPolarHBondContact O-CB 3.31Å; Y288-L291 VanDerWaalsContact O-CG 3.31Å; Y288-L291 WeakPolarHBondContact O-CG 3.46Å; Y288-L291 PolarHBondContact O-N 2.77Å; Y288-L291 VanDerWaalsContact O-N 3.08Å; A289-L291 VanDerWaalsContact C-N 3.34Å; L291-A295 HydrophobicContact CB-CB 4.16Å; L291-A295 HydrophobicContact CD2-CB 3.95Å; L291-A295 HydrophobicContact CG-CB 4.49Å; L291-L296 HydrophobicContact CD1-CD2 4.06Å; L291-I299 HydrophobicContact CD1-CD1 3.98Å; L291-I346 HydrophobicContact CD1-CD1 3.79Å; L291-I346 HydrophobicContact CD1-CG1 4.01Å; L291-I346 HydrophobicContact CD1-CG2 4.14Å; L291-I346 HydrophobicContact CD2-CG2 4Å; L291-I346 HydrophobicContact CG-CG2 4.07Å; L291-R355 HydrophobicContact CD2-CG 3.96Å; L291-I357 HydrophobicContact CD2-CG2 4.4Å |
| 292 | S | 98 | Very high | 97.7 | Very high | 14 Ų | 14 | 31 Ų | 31 | 10% | 0.098 | 17% | 0.174 | C | C | . | . | trans | -84.2 | 164.5 | 165 | 71.7 | 0 | 0 | 0 | 0 | 111.5 | L282 F283 Q294 A295 L296 | L282-S292 VanDerWaalsContact O-CB 3.24Å; L282-S292 WeakPolarHBondContact O-CB 3.32Å; L282-S292 PolarHBondContact O-OG 3.4Å; F283-S292 PolarHBondContact O-N 2.99Å; S292-Q294 PolarHBondContact O-N 3.13Å; S292-Q294 PolarHBondContact OG-N 2.75Å; S292-A295 PolarHBondContact O-N 3.26Å; S292-A295 PolarHBondContact OG-N 3.31Å; S292-L296 PolarHBondContact O-N 2.88Å | ||
| 293 | E | 98.1 | Very high | 97.7 | Very high | 96 Ų | 96 | 30.1 Ų | 30.1 | 45% | 0.449 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.5 | -37 | 169 | -175.6 | 179.8 | -99.2 | 0 | 0 | 111.5 | A295 L296 Y297 | E293-A295 VanDerWaalsContact C-N 3.32Å; E293-A295 PolarHBondContact O-N 3.47Å; E293-L296 WeakPolarHBondContact O-CB 3.2Å; E293-L296 PolarHBondContact O-N 3.44Å; E293-L296 VanDerWaalsContact O-N 3.15Å; E293-Y297 HydrophobicContact CG-CD2 4.12Å; E293-Y297 HydrophobicContact CG-CE1 4.37Å; E293-Y297 HydrophobicContact CG-CE2 3.51Å; E293-Y297 PolarHBondContact O-N 3.21Å |
| 294 | Q | 97.9 | Very high | 97.7 | Very high | 47 Ų | 47 | 35.2 Ų | 35.2 | 22% | 0.22 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.3 | -39.6 | 177 | -172 | 176.7 | 90.1 | 0 | 0 | 112.1 | L282 S292 L296 Y297 Y298 I383 | L282-Q294 VanDerWaalsContact CD1-OE1 3.3Å; S292-Q294 PolarHBondContact O-N 3.13Å; S292-Q294 PolarHBondContact OG-N 2.75Å; Q294-L296 VanDerWaalsContact C-N 3.35Å; Q294-Y297 PolarHBondContact O-N 3.47Å; Q294-Y298 PolarHBondContact O-N 2.78Å; Q294-I383 HydrophobicContact CG-CD1 3.52Å; Q294-I383 HydrophobicContact CG-CG1 3.81Å; Q294-I383 HydrophobicContact CG-CG2 4.23Å |
| 295 | A | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.6 | -39.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F283 L291 S292 E293 Y298 I299 | F283-A295 HydrophobicContact CB-CB 3.95Å; F283-A295 HydrophobicContact CD1-CB 3.97Å; F283-A295 HydrophobicContact CD2-CB 3.98Å; F283-A295 HydrophobicContact CE1-CB 4.46Å; F283-A295 HydrophobicContact CE2-CB 4.48Å; F283-A295 HydrophobicContact CG-CB 3.71Å; L291-A295 HydrophobicContact CB-CB 4.16Å; L291-A295 HydrophobicContact CD2-CB 3.95Å; L291-A295 HydrophobicContact CG-CB 4.49Å; S292-A295 PolarHBondContact O-N 3.26Å; S292-A295 PolarHBondContact OG-N 3.31Å; E293-A295 VanDerWaalsContact C-N 3.32Å; E293-A295 PolarHBondContact O-N 3.47Å; A295-Y298 WeakPolarHBondContact O-CB 3.36Å; A295-Y298 PolarHBondContact O-N 2.84Å; A295-I299 VanDerWaalsContact O-CG1 3.3Å; A295-I299 WeakPolarHBondContact O-CG1 3.41Å; A295-I299 PolarHBondContact O-N 3.41Å |
| 296 | L | 98.6 | Very high | 97.8 | Very high | 13 Ų | 13 | 32.1 Ų | 32.1 | 7% | 0.068 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.9 | -44 | 175.1 | -65.4 | 175.2 | 0 | 0 | 0 | 111.2 | K287 L291 S292 E293 Q294 Y298 I299 G300 Y335 P389 | K287-L296 HydrophobicContact CB-CD1 3.87Å; K287-L296 HydrophobicContact CG-CD1 4.12Å; L291-L296 HydrophobicContact CD1-CD2 4.06Å; S292-L296 PolarHBondContact O-N 2.88Å; E293-L296 WeakPolarHBondContact O-CB 3.2Å; E293-L296 PolarHBondContact O-N 3.44Å; E293-L296 VanDerWaalsContact O-N 3.15Å; Q294-L296 VanDerWaalsContact C-N 3.35Å; L296-Y298 VanDerWaalsContact C-N 3.32Å; L296-Y298 PolarHBondContact O-N 3.42Å; L296-I299 WeakPolarHBondContact O-CB 3.32Å; L296-I299 PolarHBondContact O-N 3.15Å; L296-G300 PolarHBondContact O-N 3.02Å; L296-Y335 HydrophobicContact CD2-CE2 3.95Å; L296-P389 HydrophobicContact CB-CG 4.11Å; L296-P389 HydrophobicContact CD2-CG 4.21Å; L296-P389 VanDerWaalsContact O-CD 3.3Å; L296-P389 WeakPolarHBondContact O-CD 3.24Å; L296-P389 WeakPolarHBondContact O-CG 3.29Å |
| 297 | Y | 98.8 | Very high | 97.9 | Very high | 30 Ų | 30 | 28.4 Ų | 28.4 | 12% | 0.118 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.5 | -37.3 | 175.3 | -64.6 | -35.4 | 0 | 0 | 0 | 113.1 | E293 Q294 G300 G301 G382 K386 I387 | E293-Y297 HydrophobicContact CG-CD2 4.12Å; E293-Y297 HydrophobicContact CG-CE1 4.37Å; E293-Y297 HydrophobicContact CG-CE2 3.51Å; E293-Y297 PolarHBondContact O-N 3.21Å; Q294-Y297 PolarHBondContact O-N 3.47Å; Y297-G300 PolarHBondContact O-N 2.93Å; Y297-G301 PolarHBondContact O-N 3.41Å; Y297-G382 CarbonylContact O-C 3.46Å; Y297-G382 WeakPolarHBondContact O-CA 3.18Å; Y297-K386 VanDerWaalsContact CD1-C 3.4Å; Y297-K386 HydrophobicContact CD1-CB 4.26Å; Y297-K386 HydrophobicContact CD2-CG 4.41Å; Y297-K386 HydrophobicContact CE1-CB 3.79Å; Y297-K386 HydrophobicContact CE1-CG 4.49Å; Y297-K386 WeakPolarHBondContact CE1-O 3.44Å; Y297-K386 HydrophobicContact CE2-CB 4.06Å; Y297-K386 HydrophobicContact CE2-CG 3.87Å; Y297-I387 WeakPolarHBondContact CA-O 3.3Å |
| 298 | Y | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60 | -46.7 | 173.5 | -165.3 | -72.9 | 0 | 0 | 0 | 111.1 | M273 L275 F283 Q294 A295 L296 G300 G301 V302 I357 L375 L376 G379 I383 | M273-Y298 HydrophobicContact SD-CE1 4.23Å; L275-Y298 HydrophobicContact CD1-CD2 4.06Å; L275-Y298 HydrophobicContact CD1-CE2 4.16Å; L275-Y298 HydrophobicContact CD2-CE2 4.47Å; L275-Y298 HydrophobicContact CG-CD2 4.47Å; L275-Y298 HydrophobicContact CG-CE2 4.28Å; F283-Y298 HydrophobicContact CE1-CD2 4.17Å; F283-Y298 HydrophobicContact CE1-CG 4.4Å; F283-Y298 HydrophobicContact CE2-CG 4.46Å; F283-Y298 HydrophobicContact CZ-CD1 4.15Å; F283-Y298 AromaticContact CZ-CD2 3.63Å; F283-Y298 HydrophobicContact CZ-CD2 3.63Å; F283-Y298 HydrophobicContact CZ-CE2 4.1Å; F283-Y298 AromaticContact CZ-CG 3.64Å; F283-Y298 HydrophobicContact CZ-CG 3.64Å; Q294-Y298 PolarHBondContact O-N 2.78Å; A295-Y298 WeakPolarHBondContact O-CB 3.36Å; A295-Y298 PolarHBondContact O-N 2.84Å; L296-Y298 VanDerWaalsContact C-N 3.32Å; L296-Y298 PolarHBondContact O-N 3.42Å; Y298-G300 VanDerWaalsContact C-N 3.3Å; Y298-G300 PolarHBondContact O-N 2.91Å; Y298-G301 PolarHBondContact O-N 3.44Å; Y298-V302 HydrophobicContact CD1-CG2 3.87Å; Y298-V302 HydrophobicContact CE1-CG2 3.75Å; Y298-V302 WeakPolarHBondContact O-CG2 3.46Å; Y298-V302 PolarHBondContact O-N 2.8Å; Y298-I357 HydrophobicContact CD1-CD1 3.56Å; Y298-I357 HydrophobicContact CE1-CD1 3.84Å; Y298-L375 PolarHBondContact OH-O 3.39Å; Y298-L375 VanDerWaalsContact OH-O 3.07Å; Y298-L376 HydrophobicContact CE2-CD1 4.45Å; Y298-L376 WeakPolarHBondContact OH-CA 3.5Å; Y298-G379 VanDerWaalsContact CD2-CA 3.46Å; Y298-I383 HydrophobicContact CD2-CD1 3.88Å |
| 299 | I | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.3 | -43.6 | 174.8 | -65.6 | 168.7 | 0 | 0 | 0 | 110.5 | L291 A295 L296 G301 V302 I303 Y335 I344 I346 I357 P389 | L291-I299 HydrophobicContact CD1-CD1 3.98Å; A295-I299 VanDerWaalsContact O-CG1 3.3Å; A295-I299 WeakPolarHBondContact O-CG1 3.41Å; A295-I299 PolarHBondContact O-N 3.41Å; L296-I299 WeakPolarHBondContact O-CB 3.32Å; L296-I299 PolarHBondContact O-N 3.15Å; I299-G301 VanDerWaalsContact C-N 3.32Å; I299-G301 PolarHBondContact O-N 2.83Å; I299-V302 PolarHBondContact O-N 2.54Å; I299-I303 HydrophobicContact CG2-CD1 3.87Å; I299-I303 HydrophobicContact CG2-CG1 4.38Å; I299-I303 WeakPolarHBondContact O-CG1 3.37Å; I299-I303 PolarHBondContact O-N 3.48Å; I299-Y335 HydrophobicContact CD1-CD2 4.16Å; I299-Y335 HydrophobicContact CD1-CG 4.29Å; I299-Y335 HydrophobicContact CG2-CD1 3.99Å; I299-Y335 HydrophobicContact CG2-CG 4.01Å; I299-I344 HydrophobicContact CG1-CG2 4.29Å; I299-I344 HydrophobicContact CG2-CD1 3.8Å; I299-I344 HydrophobicContact CG2-CG2 4.47Å; I299-I346 HydrophobicContact CD1-CD1 3.86Å; I299-I357 HydrophobicContact CD1-CG2 3.85Å; I299-I357 HydrophobicContact CG1-CD1 4.18Å; I299-I357 HydrophobicContact CG1-CG2 3.89Å; I299-P389 HydrophobicContact CB-CB 4.08Å; I299-P389 HydrophobicContact CB-CG 4.44Å; I299-P389 HydrophobicContact CG2-CB 3.59Å; I299-P389 HydrophobicContact CG2-CG 4.3Å |
| 300 | G | 98.5 | Very high | 98.4 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L296 Y297 Y298 I303 K304 | L296-G300 PolarHBondContact O-N 3.02Å; Y297-G300 PolarHBondContact O-N 2.93Å; Y298-G300 VanDerWaalsContact C-N 3.3Å; Y298-G300 PolarHBondContact O-N 2.91Å; G300-I303 PolarHBondContact O-N 3.06Å; G300-K304 WeakPolarHBondContact O-CB 3.02Å; G300-K304 PolarHBondContact O-N 2.78Å |
| 301 | G | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.9 | -46.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113 | Y297 Y298 I299 I303 K304 H305 A378 | Y297-G301 PolarHBondContact O-N 3.41Å; Y298-G301 PolarHBondContact O-N 3.44Å; I299-G301 VanDerWaalsContact C-N 3.32Å; I299-G301 PolarHBondContact O-N 2.83Å; G301-I303 VanDerWaalsContact C-N 3.35Å; G301-I303 PolarHBondContact O-N 2.87Å; G301-K304 PolarHBondContact O-N 3.33Å; G301-H305 PolarHBondContact O-CD2 3.25Å; G301-H305 PolarHBondContact O-N 3.24Å; G301-A378 CarbonylContact C-O 3.57Å; G301-A378 VanDerWaalsContact CA-O 3.29Å; G301-A378 WeakPolarHBondContact CA-O 3.42Å |
| 302 | V | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.2 | -41.6 | 176.9 | 174.9 | 0 | 0 | 0 | 0 | 111.7 | Y298 I299 A306 I309 I344 V359 F361 L375 | Y298-V302 HydrophobicContact CD1-CG2 3.87Å; Y298-V302 HydrophobicContact CE1-CG2 3.75Å; Y298-V302 WeakPolarHBondContact O-CG2 3.46Å; Y298-V302 PolarHBondContact O-N 2.8Å; I299-V302 PolarHBondContact O-N 2.54Å; V302-A306 WeakPolarHBondContact O-CA 3.47Å; V302-A306 WeakPolarHBondContact O-CB 3.22Å; V302-A306 PolarHBondContact O-N 3.28Å; V302-A306 VanDerWaalsContact O-N 3.07Å; V302-I309 HydrophobicContact CG1-CD1 4.28Å; V302-I344 HydrophobicContact CB-CD1 4.21Å; V302-I344 HydrophobicContact CG1-CD1 3.86Å; V302-V359 HydrophobicContact CG1-CG1 4.25Å; V302-V359 HydrophobicContact CG1-CG2 4.07Å; V302-F361 HydrophobicContact CG1-CE1 4.21Å; V302-F361 HydrophobicContact CG1-CZ 4.24Å; V302-L375 HydrophobicContact CG1-CD2 4.32Å |
| 303 | I | 98.1 | Very high | 98.6 | Very high | 24 Ų | 24 | 18.1 Ų | 18.1 | 12% | 0.123 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65 | -46.6 | 176.7 | -71.5 | 174.5 | 0 | 0 | 0 | 110.8 | I299 G300 G301 H305 A306 L333 I344 P389 | I299-I303 HydrophobicContact CG2-CD1 3.87Å; I299-I303 HydrophobicContact CG2-CG1 4.38Å; I299-I303 WeakPolarHBondContact O-CG1 3.37Å; I299-I303 PolarHBondContact O-N 3.48Å; G300-I303 PolarHBondContact O-N 3.06Å; G301-I303 VanDerWaalsContact C-N 3.35Å; G301-I303 PolarHBondContact O-N 2.87Å; I303-H305 VanDerWaalsContact C-N 3.32Å; I303-H305 PolarHBondContact O-N 3.4Å; I303-A306 WeakPolarHBondContact O-CB 3.48Å; I303-A306 PolarHBondContact O-N 2.75Å; I303-L333 HydrophobicContact CG1-CB 4.44Å; I303-L333 HydrophobicContact CG2-CB 4.15Å; I303-I344 HydrophobicContact CD1-CD1 4.37Å; I303-I344 HydrophobicContact CG1-CD1 3.82Å; I303-P389 HydrophobicContact CD1-CB 4.16Å |
| 304 | K | 98.3 | Very high | 98.6 | Very high | 106 Ų | 106 | 13.6 Ų | 13.6 | 46% | 0.461 | 6% | 0.062 | S | C | . | . | H | α-helix | trans | -57.6 | -45 | -179.9 | 176.6 | -174.1 | 166.1 | -154.9 | 0 | 111.9 | G300 G301 D381 I387 | G300-K304 WeakPolarHBondContact O-CB 3.02Å; G300-K304 PolarHBondContact O-N 2.78Å; G301-K304 PolarHBondContact O-N 3.33Å; K304-D381 IonicContact NZ-OD2 3.63Å; K304-D381 PolarHBondContact NZ-OD2 2.82Å; K304-I387 HydrophobicContact CD-CD1 3.4Å; K304-I387 HydrophobicContact CD-CG1 4.47Å |
| 305 | H | 98.7 | Very high | 98.7 | Very high | 2 Ų | 2 | 11.3 Ų | 11.3 | 1% | 0.009 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 7.7 | -173 | -61.2 | -59.8 | 0 | 0 | 0 | 113.5 | G301 I303 K307 A308 I309 A378 D381 D425 F428 | G301-H305 PolarHBondContact O-CD2 3.25Å; G301-H305 PolarHBondContact O-N 3.24Å; I303-H305 VanDerWaalsContact C-N 3.32Å; I303-H305 PolarHBondContact O-N 3.4Å; H305-K307 VanDerWaalsContact C-N 3.3Å; H305-K307 PolarHBondContact O-N 3.29Å; H305-K307 VanDerWaalsContact O-N 3.16Å; H305-A308 PolarHBondContact O-N 3.15Å; H305-A308 VanDerWaalsContact O-N 3.11Å; H305-I309 HydrophobicContact CB-CD1 4.1Å; H305-I309 HydrophobicContact CB-CG1 4.3Å; H305-I309 VanDerWaalsContact O-CG1 3.29Å; H305-I309 WeakPolarHBondContact O-CG1 3.32Å; H305-I309 PolarHBondContact O-N 3.41Å; H305-A378 HydrophobicContact CB-CB 3.89Å; H305-D381 IonicContact CE1-OD2 3.53Å; H305-D381 IonicContact NE2-OD2 2.65Å; H305-D381 PolarHBondContact NE2-OD2 3.32Å; H305-D381 VanDerWaalsContact NE2-OD2 3.09Å; H305-D425 IonicContact CE1-OD1 3.14Å; H305-D425 PolarHBondContact CE1-OD1 2.74Å; H305-D425 IonicContact CE1-OD2 3.44Å; H305-D425 IonicContact CG-OD2 3.51Å; H305-D425 VanDerWaalsContact ND1-CG 3.34Å; H305-D425 IonicContact ND1-OD1 3.82Å; H305-D425 PolarHBondContact ND1-OD1 3.27Å; H305-D425 IonicContact ND1-OD2 3.48Å; H305-D425 PolarHBondContact ND1-OD2 3Å; H305-F428 HydrophobicContact CB-CD1 4.17Å; H305-F428 HydrophobicContact CB-CE1 3.79Å; H305-F428 HydrophobicContact CB-CE2 4.37Å; H305-F428 HydrophobicContact CB-CZ 3.88Å; H305-F428 AromaticContact CE1-CD1 3.72Å; H305-F428 AromaticContact CE1-CG 3.92Å; H305-F428 AromaticContact CG-CD1 3.68Å; H305-F428 AromaticContact CG-CE1 3.83Å; H305-F428 AromaticContact CG-CG 3.97Å; H305-F428 AromaticContact ND1-CD1 3.38Å; H305-F428 WeakPolarHBondContact ND1-CD1 3.18Å; H305-F428 AromaticContact ND1-CE1 3.79Å; H305-F428 AromaticContact ND1-CG 3.92Å |
| 306 | A | 98.6 | Very high | 98.7 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.008 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -55.6 | -40.6 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V302 I303 I309 N310 L333 | V302-A306 WeakPolarHBondContact O-CA 3.47Å; V302-A306 WeakPolarHBondContact O-CB 3.22Å; V302-A306 PolarHBondContact O-N 3.28Å; V302-A306 VanDerWaalsContact O-N 3.07Å; I303-A306 WeakPolarHBondContact O-CB 3.48Å; I303-A306 PolarHBondContact O-N 2.75Å; A306-I309 CarbonylContact O-C 3.48Å; A306-I309 PolarHBondContact O-N 3.35Å; A306-N310 PolarHBondContact O-N 3.34Å; A306-N310 PolarHBondContact O-OD1 2.98Å; A306-L333 HydrophobicContact CB-CD1 3.45Å; A306-L333 VanDerWaalsContact CB-CD1 3.45Å; A306-L333 HydrophobicContact CB-CD2 3.39Å; A306-L333 HydrophobicContact CB-CG 4.08Å |
| 307 | K | 98.5 | Very high | 98.7 | Very high | 55 Ų | 55 | 13.3 Ų | 13.3 | 24% | 0.239 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -67.1 | -40.5 | -179.5 | -63.3 | -175.6 | 179.7 | -73.7 | 0 | 112.4 | H305 N310 Q410 V411 A412 E417 E421 | H305-K307 VanDerWaalsContact C-N 3.3Å; H305-K307 PolarHBondContact O-N 3.29Å; H305-K307 VanDerWaalsContact O-N 3.16Å; K307-N310 WeakPolarHBondContact O-CB 3.41Å; K307-N310 PolarHBondContact O-N 3.11Å; K307-Q410 WeakPolarHBondContact CE-O 3.17Å; K307-Q410 PolarHBondContact NZ-O 2.98Å; K307-Q410 VanDerWaalsContact NZ-O 3.11Å; K307-V411 PolarHBondContact NZ-O 2.98Å; K307-A412 HydrophobicContact CB-CB 4.4Å; K307-A412 HydrophobicContact CG-CB 4.41Å; K307-E417 IonicContact NZ-OE1 2.71Å; K307-E417 PolarHBondContact NZ-OE1 3.39Å; K307-E421 HydrophobicContact CB-CB 3.59Å; K307-E421 HydrophobicContact CB-CG 3.64Å; K307-E421 HydrophobicContact CD-CG 3.88Å; K307-E421 HydrophobicContact CG-CG 4.41Å |
| 308 | A | 98.8 | Very high | 98.7 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.008 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.7 | -39.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H305 N310 A311 L422 D425 F428 | H305-A308 PolarHBondContact O-N 3.15Å; H305-A308 VanDerWaalsContact O-N 3.11Å; A308-N310 VanDerWaalsContact C-N 3.3Å; A308-N310 PolarHBondContact O-N 2.93Å; A308-A311 WeakPolarHBondContact O-CB 3.46Å; A308-A311 PolarHBondContact O-N 3.36Å; A308-L422 HydrophobicContact CB-CB 4.46Å; A308-L422 HydrophobicContact CB-CD1 4.49Å; A308-D425 HydrophobicContact CB-CB 4.21Å; A308-F428 HydrophobicContact CB-CE1 3.98Å; A308-F428 HydrophobicContact CB-CZ 4.46Å |
| 309 | I | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62.8 | -37.1 | 174.4 | -60.7 | 164.9 | 0 | 0 | 0 | 110.7 | V302 H305 A306 A311 L312 A313 F361 L375 A378 F428 | V302-I309 HydrophobicContact CG1-CD1 4.28Å; H305-I309 HydrophobicContact CB-CD1 4.1Å; H305-I309 HydrophobicContact CB-CG1 4.3Å; H305-I309 VanDerWaalsContact O-CG1 3.29Å; H305-I309 WeakPolarHBondContact O-CG1 3.32Å; H305-I309 PolarHBondContact O-N 3.41Å; A306-I309 CarbonylContact O-C 3.48Å; A306-I309 PolarHBondContact O-N 3.35Å; I309-A311 PolarHBondContact O-N 3.2Å; I309-L312 PolarHBondContact O-N 3.25Å; I309-A313 HydrophobicContact CG2-CB 3.99Å; I309-A313 WeakPolarHBondContact O-CB 3.31Å; I309-A313 PolarHBondContact O-N 2.8Å; I309-F361 HydrophobicContact CB-CE2 4.45Å; I309-F361 HydrophobicContact CG2-CE2 3.77Å; I309-F361 HydrophobicContact CG2-CZ 4.02Å; I309-L375 HydrophobicContact CD1-CD2 4.34Å; I309-L375 HydrophobicContact CG2-CD2 3.86Å; I309-L375 HydrophobicContact CG2-CG 4.16Å; I309-A378 HydrophobicContact CD1-CB 3.52Å; I309-A378 HydrophobicContact CG1-CB 4.2Å; I309-F428 HydrophobicContact CG1-CZ 4.25Å |
| 310 | N | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -57.4 | -31.1 | 177.9 | -67.8 | 134.4 | 0 | 0 | 0 | 112 | A306 K307 A308 L312 N314 Y320 F361 V411 A412 A418 | A306-N310 PolarHBondContact O-N 3.34Å; A306-N310 PolarHBondContact O-OD1 2.98Å; K307-N310 WeakPolarHBondContact O-CB 3.41Å; K307-N310 PolarHBondContact O-N 3.11Å; A308-N310 VanDerWaalsContact C-N 3.3Å; A308-N310 PolarHBondContact O-N 2.93Å; N310-L312 PolarHBondContact O-N 3.05Å; N310-L312 VanDerWaalsContact O-N 3.16Å; N310-N314 HydrophobicContact CB-CB 4.32Å; N310-N314 PolarHBondContact ND2-OD1 2.87Å; N310-N314 CarbonylContact O-C 3.47Å; N310-N314 WeakPolarHBondContact O-CA 3.3Å; N310-N314 VanDerWaalsContact O-CB 3.25Å; N310-N314 WeakPolarHBondContact O-CB 3.41Å; N310-N314 PolarHBondContact O-N 3.22Å; N310-Y320 PolarHBondContact O-OH 3.28Å; N310-F361 WeakPolarHBondContact ND2-CD2 3.24Å; N310-V411 WeakPolarHBondContact OD1-CA 3.25Å; N310-V411 WeakPolarHBondContact OD1-CB 3.44Å; N310-A412 HydrophobicContact CB-CB 4.08Å; N310-A412 PolarHBondContact OD1-N 3.08Å; N310-A418 HydrophobicContact CB-CB 3.9Å |
| 311 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59 | -31 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A308 I309 P315 A418 L419 L422 Y443 | A308-A311 WeakPolarHBondContact O-CB 3.46Å; A308-A311 PolarHBondContact O-N 3.36Å; I309-A311 PolarHBondContact O-N 3.2Å; A311-P315 WeakPolarHBondContact O-CA 3.18Å; A311-P315 WeakPolarHBondContact O-CB 3.44Å; A311-A418 HydrophobicContact CB-CB 4.23Å; A311-L419 HydrophobicContact CB-CD2 4.14Å; A311-L422 HydrophobicContact CB-CB 3.71Å; A311-L422 HydrophobicContact CB-CD2 3.62Å; A311-L422 HydrophobicContact CB-CG 4.21Å; A311-Y443 WeakPolarHBondContact O-CE1 3.35Å; A311-Y443 PolarHBondContact O-OH 3.23Å |
| 312 | L | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 19.8 Ų | 19.8 | 2% | 0.021 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -101.5 | -34.6 | -176.2 | -58.7 | 170.9 | 0 | 0 | 0 | 112.6 | I309 N310 L370 A374 L429 F435 Y443 | I309-L312 PolarHBondContact O-N 3.25Å; N310-L312 PolarHBondContact O-N 3.05Å; N310-L312 VanDerWaalsContact O-N 3.16Å; L312-L370 HydrophobicContact CD2-CB 4.13Å; L312-L370 HydrophobicContact CD2-CD1 4.33Å; L312-A374 HydrophobicContact CB-CB 4.37Å; L312-A374 HydrophobicContact CD1-CB 3.46Å; L312-A374 VanDerWaalsContact CD1-CB 3.46Å; L312-L429 HydrophobicContact CD1-CD1 4.22Å; L312-F435 HydrophobicContact CD1-CE1 4.35Å; L312-F435 HydrophobicContact CD1-CZ 4.39Å; L312-Y443 HydrophobicContact CD2-CD1 4.09Å; L312-Y443 HydrophobicContact CD2-CD2 4.09Å; L312-Y443 HydrophobicContact CD2-CE1 3.79Å; L312-Y443 HydrophobicContact CD2-CE2 3.77Å; L312-Y443 HydrophobicContact CD2-CG 4.26Å |
| 313 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -89.9 | -18.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | I309 F361 P362 D363 | I309-A313 HydrophobicContact CG2-CB 3.99Å; I309-A313 WeakPolarHBondContact O-CB 3.31Å; I309-A313 PolarHBondContact O-N 2.8Å; A313-F361 HydrophobicContact CB-CD2 4.36Å; A313-F361 HydrophobicContact CB-CE2 4.1Å; A313-P362 HydrophobicContact CB-CB 3.91Å; A313-P362 HydrophobicContact CB-CG 4.01Å; A313-P362 WeakPolarHBondContact O-CA 3.36Å; A313-D363 PolarHBondContact O-N 3.37Å |
| 314 | N | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -137.4 | 59.1 | -179.7 | -61 | 105 | 0 | 0 | 0 | 109.7 | N310 T316 Y320 L323 F361 D363 | N310-N314 HydrophobicContact CB-CB 4.32Å; N310-N314 PolarHBondContact ND2-OD1 2.87Å; N310-N314 CarbonylContact O-C 3.47Å; N310-N314 WeakPolarHBondContact O-CA 3.3Å; N310-N314 VanDerWaalsContact O-CB 3.25Å; N310-N314 WeakPolarHBondContact O-CB 3.41Å; N310-N314 PolarHBondContact O-N 3.22Å; N314-T316 PolarHBondContact O-N 3.33Å; N314-T316 VanDerWaalsContact O-N 3.08Å; N314-Y320 VanDerWaalsContact O-CE2 3.25Å; N314-Y320 WeakPolarHBondContact O-CE2 3.18Å; N314-Y320 PolarHBondContact O-OH 3.41Å; N314-Y320 VanDerWaalsContact O-OH 3.05Å; N314-L323 HydrophobicContact CB-CD1 4.33Å; N314-F361 PolarHBondContact ND2-O 3.4Å; N314-F361 PolarHBondContact OD1-O 3.48Å; N314-D363 WeakPolarHBondContact CA-OD2 3.43Å; N314-D363 PolarHBondContact ND2-OD2 2.61Å |
| 315 | P | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -83.2 | 10 | -158.4 | 38.2 | -41.8 | 0 | 0 | 0 | 114 | A311 A365 Y443 | A311-P315 WeakPolarHBondContact O-CA 3.18Å; A311-P315 WeakPolarHBondContact O-CB 3.44Å; P315-A365 HydrophobicContact CG-CB 4.34Å; P315-A365 WeakPolarHBondContact CG-O 3.48Å; P315-Y443 WeakPolarHBondContact CB-OH 3.23Å | ||
| 316 | T | 98.9 | Very high | 94.9 | Very high | 32 Ų | 32 | 23.9 Ų | 23.9 | 20% | 0.196 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -125.2 | 153.5 | -174.2 | 73.4 | 0 | 0 | 0 | 0 | 110.7 | N314 N318 S319 Y320 A365 | N314-T316 PolarHBondContact O-N 3.33Å; N314-T316 VanDerWaalsContact O-N 3.08Å; T316-N318 PolarHBondContact O-N 2.86Å; T316-N318 PolarHBondContact OG1-N 3.05Å; T316-S319 PolarHBondContact N-OG 2.85Å; T316-S319 WeakPolarHBondContact O-CB 3.44Å; T316-S319 PolarHBondContact O-N 3.04Å; T316-S319 VanDerWaalsContact O-N 3.14Å; T316-S319 PolarHBondContact O-OG 2.95Å; T316-S319 PolarHBondContact OG1-N 2.94Å; T316-S319 PolarHBondContact OG1-OG 3.35Å; T316-Y320 WeakPolarHBondContact O-CD2 3.42Å; T316-Y320 VanDerWaalsContact O-CE2 3.3Å; T316-Y320 WeakPolarHBondContact O-CE2 3.38Å; T316-A365 HydrophobicContact CG2-CB 3.61Å |
| 317 | T | 98.7 | Very high | 93.4 | Very high | 23 Ų | 23 | 26.3 Ų | 26.3 | 14% | 0.141 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -27.5 | 170.1 | 66.3 | 0 | 0 | 0 | 0 | 111.2 | Y320 K321 L415 D451 V454 | T317-Y320 PolarHBondContact O-N 3.2Å; T317-K321 WeakPolarHBondContact O-CD 3.46Å; T317-K321 WeakPolarHBondContact O-CE 3.34Å; T317-K321 PolarHBondContact O-NZ 2.92Å; T317-L415 HydrophobicContact CG2-CB 4.26Å; T317-L415 HydrophobicContact CG2-CD2 3.84Å; T317-D451 HydrophobicContact CG2-CB 4.29Å; T317-D451 WeakPolarHBondContact CG2-OD1 3.33Å; T317-V454 HydrophobicContact CG2-CB 4.18Å; T317-V454 HydrophobicContact CG2-CG2 4.19Å |
| 318 | N | 98.7 | Very high | 92 | Very high | 39 Ų | 39 | 27.7 Ų | 27.7 | 21% | 0.209 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -30.5 | 177.7 | -170.1 | -107.6 | 0 | 0 | 0 | 113.1 | P258 K259 T316 Y320 K321 R322 | P258-N318 VanDerWaalsContact CD-OD1 3.25Å; P258-N318 WeakPolarHBondContact CD-OD1 3.44Å; K259-N318 PolarHBondContact N-OD1 2.88Å; K259-N318 PolarHBondContact O-ND2 3.23Å; K259-N318 PolarHBondContact O-OD1 2.92Å; T316-N318 PolarHBondContact O-N 2.86Å; T316-N318 PolarHBondContact OG1-N 3.05Å; N318-Y320 PolarHBondContact O-N 3.01Å; N318-K321 WeakPolarHBondContact O-CB 3.3Å; N318-K321 PolarHBondContact O-N 2.82Å; N318-R322 PolarHBondContact O-N 2.92Å |
| 319 | S | 98.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -52.4 | -41.7 | 173 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | T316 K321 R322 L323 D363 | T316-S319 PolarHBondContact N-OG 2.85Å; T316-S319 WeakPolarHBondContact O-CB 3.44Å; T316-S319 PolarHBondContact O-N 3.04Å; T316-S319 VanDerWaalsContact O-N 3.14Å; T316-S319 PolarHBondContact O-OG 2.95Å; T316-S319 PolarHBondContact OG1-N 2.94Å; T316-S319 PolarHBondContact OG1-OG 3.35Å; S319-K321 PolarHBondContact O-N 3.44Å; S319-R322 WeakPolarHBondContact O-CA 3.42Å; S319-R322 WeakPolarHBondContact O-CB 3.21Å; S319-R322 PolarHBondContact O-N 3.33Å; S319-L323 PolarHBondContact O-N 2.85Å; S319-D363 WeakPolarHBondContact CB-OD2 3.48Å; S319-D363 PolarHBondContact OG-OD1 2.95Å; S319-D363 PolarHBondContact OG-OD2 2.84Å |
| 320 | Y | 97.4 | Very high | 90.1 | Very high | 17 Ų | 17 | 27.8 Ų | 27.8 | 7% | 0.067 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -79 | -1.5 | -179.8 | -54.8 | -84.7 | 0 | 0 | 0 | 113.8 | N310 N314 T316 T317 N318 V324 A412 S414 L415 A418 | N310-Y320 PolarHBondContact O-OH 3.28Å; N314-Y320 VanDerWaalsContact O-CE2 3.25Å; N314-Y320 WeakPolarHBondContact O-CE2 3.18Å; N314-Y320 PolarHBondContact O-OH 3.41Å; N314-Y320 VanDerWaalsContact O-OH 3.05Å; T316-Y320 WeakPolarHBondContact O-CD2 3.42Å; T316-Y320 VanDerWaalsContact O-CE2 3.3Å; T316-Y320 WeakPolarHBondContact O-CE2 3.38Å; T317-Y320 PolarHBondContact O-N 3.2Å; N318-Y320 PolarHBondContact O-N 3.01Å; Y320-V324 WeakPolarHBondContact O-CG1 3.3Å; Y320-A412 VanDerWaalsContact CD1-O 3.29Å; Y320-A412 WeakPolarHBondContact CD1-O 3.42Å; Y320-A412 HydrophobicContact CE1-CB 3.96Å; Y320-A412 VanDerWaalsContact CE1-O 3.25Å; Y320-A412 WeakPolarHBondContact CE1-O 3.41Å; Y320-S414 WeakPolarHBondContact CE1-O 3.32Å; Y320-L415 HydrophobicContact CD2-CB 3.95Å; Y320-L415 VanDerWaalsContact CD2-N 3.28Å; Y320-L415 HydrophobicContact CE2-CB 3.58Å; Y320-L415 HydrophobicContact CE2-CD1 4.05Å; Y320-L415 HydrophobicContact CE2-CG 4.42Å; Y320-A418 WeakPolarHBondContact OH-CB 3.4Å |
| 321 | K | 96.9 | Very high | 89.6 | Confident | 96 Ų | 96 | 28.2 Ų | 28.2 | 42% | 0.417 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -90.2 | -17.8 | 165.2 | -71.5 | 83.8 | -169.3 | 175.5 | 0 | 111.3 | K259 T317 N318 S319 | K259-K321 HydrophobicContact CB-CB 3.91Å; K259-K321 WeakPolarHBondContact CE-O 3.47Å; K259-K321 HydrophobicContact CG-CB 3.91Å; K259-K321 WeakPolarHBondContact CG-O 3.47Å; T317-K321 WeakPolarHBondContact O-CD 3.46Å; T317-K321 WeakPolarHBondContact O-CE 3.34Å; T317-K321 PolarHBondContact O-NZ 2.92Å; N318-K321 WeakPolarHBondContact O-CB 3.3Å; N318-K321 PolarHBondContact O-N 2.82Å; S319-K321 PolarHBondContact O-N 3.44Å |
| 322 | R | 96.1 | Very high | 89.1 | Confident | 16 Ų | 16 | 29 Ų | 29 | 6% | 0.06 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -82.3 | -45.2 | 167.1 | 173.3 | 178.3 | 166.9 | -94 | 1.1 | 111.2 | P258 K259 S267 G268 N318 S319 V324 A329 R360 F361 P362 | P258-R322 HydrophobicContact CB-CB 4.06Å; K259-R322 HydrophobicContact CB-CB 4.26Å; S267-R322 WeakPolarHBondContact O-CD 3.34Å; S267-R322 PolarHBondContact O-NE 3.24Å; G268-R322 VanDerWaalsContact CA-CZ 3.47Å; G268-R322 VanDerWaalsContact CA-NH2 3.32Å; N318-R322 PolarHBondContact O-N 2.92Å; S319-R322 WeakPolarHBondContact O-CA 3.42Å; S319-R322 WeakPolarHBondContact O-CB 3.21Å; S319-R322 PolarHBondContact O-N 3.33Å; R322-V324 PolarHBondContact O-N 2.94Å; R322-A329 WeakPolarHBondContact O-CB 3.3Å; R322-R360 PolarHBondContact NH2-O 3.09Å; R322-F361 PolarHBondContact NH1-O 3.14Å; R322-P362 PolarHBondContact NH1-O 3.49Å |
| 323 | L | 94.3 | Very high | 88.8 | Confident | 12 Ų | 12 | 29.2 Ų | 29.2 | 6% | 0.063 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -76.8 | 59.6 | -177.9 | -64.5 | -179.9 | 0 | 0 | 0 | 112.8 | N314 S319 P330 V331 F361 V411 | N314-L323 HydrophobicContact CB-CD1 4.33Å; S319-L323 PolarHBondContact O-N 2.85Å; L323-P330 HydrophobicContact CD2-CG 4.46Å; L323-V331 HydrophobicContact CB-CG1 4.2Å; L323-F361 HydrophobicContact CD2-CB 4.27Å; L323-V411 HydrophobicContact CD1-CG2 4.15Å |
| 324 | V | 85.4 | Confident | 88.5 | Confident | 48 Ų | 48 | 29.5 Ų | 29.5 | 29% | 0.291 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -126.9 | 145.8 | 176.7 | -59.9 | 0 | 0 | 0 | 0 | 110.4 | Y320 R322 G326 Y327 A329 | Y320-V324 WeakPolarHBondContact O-CG1 3.3Å; R322-V324 PolarHBondContact O-N 2.94Å; V324-G326 PolarHBondContact O-N 2.84Å; V324-Y327 HydrophobicContact CG2-CD2 3.77Å; V324-Y327 HydrophobicContact CG2-CE2 3.98Å; V324-A329 WeakPolarHBondContact O-CB 3.48Å |
| 325 | P | 73.4 | Confident | 88.3 | Confident | 100 Ų | 100 | 29.9 Ų | 29.9 | 65% | 0.649 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | 139.2 | 175.9 | -25.6 | 34.4 | 0 | 0 | 0 | 112.7 | ||
| 326 | G | 66.9 | Low | 88.1 | Confident | 58 Ų | 58 | 29.9 Ų | 29.9 | 60% | 0.598 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 110.4 | -10.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | V324 | V324-G326 PolarHBondContact O-N 2.84Š|
| 327 | Y | 66.6 | Low | 87.7 | Confident | 52 Ų | 52 | 29.2 Ų | 29.2 | 20% | 0.204 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -118.6 | 38.1 | -177.1 | -57.9 | -89.5 | 0 | 0 | 0 | 113.7 | D264 V324 A329 | D264-Y327 WeakPolarHBondContact O-CD1 3.35Å; V324-Y327 HydrophobicContact CG2-CD2 3.77Å; V324-Y327 HydrophobicContact CG2-CE2 3.98Å; Y327-A329 PolarHBondContact O-N 2.93Å; Y327-A329 VanDerWaalsContact O-N 3.14Å |
| 328 | E | 68.9 | Low | 86.9 | Confident | 83 Ų | 83 | 38 Ų | 38 | 39% | 0.388 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 58.3 | 19.4 | -168.7 | -56.8 | -170.6 | -155.9 | 0 | 0 | 113.8 | P330 Y398 | E328-P330 WeakPolarHBondContact O-CD 3.49Å; E328-Y398 VanDerWaalsContact CA-OH 3.3Å; E328-Y398 WeakPolarHBondContact CA-OH 3.48Å |
| 329 | A | 74.5 | Confident | 86 | Confident | 3 Ų | 3 | 36.9 Ų | 36.9 | 3% | 0.025 | 19% | 0.193 | C | C | . | . | trans | -73.1 | 123.1 | -175 | 0 | 0 | 0 | 0 | 0 | 111.5 | R322 V324 Y327 V331 Y398 | R322-A329 WeakPolarHBondContact O-CB 3.3Å; V324-A329 WeakPolarHBondContact O-CB 3.48Å; Y327-A329 PolarHBondContact O-N 2.93Å; Y327-A329 VanDerWaalsContact O-N 3.14Å; A329-V331 VanDerWaalsContact C-N 3.28Å; A329-V331 HydrophobicContact CB-CG1 4.24Å; A329-V331 PolarHBondContact O-N 3.26Å; A329-Y398 PolarHBondContact N-OH 2.98Å; A329-Y398 PolarHBondContact O-OH 3Å | ||
| 330 | P | 83 | Confident | 85 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | trans | -77.9 | 66 | -175.3 | 29.2 | -34.3 | 0 | 0 | 0 | 112.9 | L323 E328 S343 R360 F361 | L323-P330 HydrophobicContact CD2-CG 4.46Å; E328-P330 WeakPolarHBondContact O-CD 3.49Å; P330-S343 WeakPolarHBondContact O-CB 3.18Å; P330-R360 HydrophobicContact CB-CB 3.67Å; P330-R360 VanDerWaalsContact CG-C 3.4Å; P330-R360 HydrophobicContact CG-CB 3.65Å; P330-R360 VanDerWaalsContact CG-O 3.3Å; P330-R360 WeakPolarHBondContact CG-O 3.25Å; P330-F361 HydrophobicContact CG-CB 4.3Å | ||
| 331 | V | 88.5 | Confident | 84.1 | Confident | 9 Ų | 9 | 42.7 Ų | 42.7 | 6% | 0.055 | 22% | 0.215 | C | C | . | . | trans | -85 | -23.9 | -175.4 | -60.6 | 0 | 0 | 0 | 0 | 114.3 | L323 A329 Q410 V411 | L323-V331 HydrophobicContact CB-CG1 4.2Å; A329-V331 VanDerWaalsContact C-N 3.28Å; A329-V331 HydrophobicContact CB-CG1 4.24Å; A329-V331 PolarHBondContact O-N 3.26Å; V331-Q410 WeakPolarHBondContact O-CA 3.31Å; V331-V411 HydrophobicContact CB-CG2 4.03Å; V331-V411 HydrophobicContact CG1-CG2 4.2Å; V331-V411 PolarHBondContact O-N 3.12Å; V331-V411 VanDerWaalsContact O-N 3.15Å | ||
| 332 | M | 89.8 | Confident | 83.6 | Confident | 16 Ų | 16 | 38.1 Ų | 38.1 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 116.4 | -176.2 | -60.7 | -63.8 | -172.8 | 0 | 0 | 110.5 | A334 S343 L397 A405 I408 Q410 | M332-A334 PolarHBondContact O-N 2.76Å; M332-S343 WeakPolarHBondContact O-CB 3.35Å; M332-S343 PolarHBondContact O-N 2.81Å; M332-S343 PolarHBondContact O-OG 2.97Å; M332-S343 VanDerWaalsContact O-OG 3.1Å; M332-L397 HydrophobicContact CB-CB 4.45Å; M332-L397 HydrophobicContact CB-CD1 3.64Å; M332-L397 HydrophobicContact CG-CB 3.99Å; M332-L397 HydrophobicContact CG-CD1 4.13Å; M332-A405 HydrophobicContact CE-CB 4.39Å; M332-I408 HydrophobicContact CB-CG2 4.24Å; M332-I408 HydrophobicContact SD-CG2 4.47Å; M332-Q410 HydrophobicContact SD-CG 3.98Å; M332-Q410 PolarHBondContact SD-NE2 3.1Å |
| 333 | L | 92.3 | Very high | 83.5 | Confident | 9 Ų | 9 | 37.4 Ų | 37.4 | 5% | 0.047 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 74.2 | 178.7 | -60.3 | 172.2 | 0 | 0 | 0 | 111.1 | I303 A306 S343 F361 P409 Q410 V411 | I303-L333 HydrophobicContact CG1-CB 4.44Å; I303-L333 HydrophobicContact CG2-CB 4.15Å; A306-L333 HydrophobicContact CB-CD1 3.45Å; A306-L333 VanDerWaalsContact CB-CD1 3.45Å; A306-L333 HydrophobicContact CB-CD2 3.39Å; A306-L333 HydrophobicContact CB-CG 4.08Å; L333-S343 WeakPolarHBondContact CA-OG 3.24Å; L333-F361 HydrophobicContact CD2-CE1 4.49Å; L333-P409 WeakPolarHBondContact CA-O 3.4Å; L333-P409 HydrophobicContact CB-CB 4.08Å; L333-P409 WeakPolarHBondContact CB-O 3.39Å; L333-P409 HydrophobicContact CD1-CB 3.94Å; L333-P409 PolarHBondContact N-O 2.97Å; L333-Q410 WeakPolarHBondContact CD1-O 3.41Å; L333-V411 HydrophobicContact CD2-CG1 3.67Å; L333-V411 HydrophobicContact CG-CG1 4.32Å |
| 334 | A | 92.5 | Very high | 83.6 | Confident | 6 Ų | 6 | 36.8 Ų | 36.8 | 5% | 0.05 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 166.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | M332 S343 I344 M393 L397 I408 | M332-A334 PolarHBondContact O-N 2.76Å; A334-S343 PolarHBondContact O-N 2.76Å; A334-I344 PolarHBondContact O-N 2.84Å; A334-I344 VanDerWaalsContact O-N 3.09Å; A334-M393 HydrophobicContact CB-CB 3.88Å; A334-M393 HydrophobicContact CB-CG 3.74Å; A334-L397 HydrophobicContact CB-CD1 4.15Å; A334-I408 HydrophobicContact CB-CG2 4.39Å |
| 335 | Y | 95.2 | Very high | 84.1 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 3% | 0.027 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 144.7 | 173.4 | 73.7 | -74.7 | 0 | 0 | 0 | 112.3 | Y288 L296 I299 I344 I346 P389 G390 A392 M393 | Y288-Y335 HydrophobicContact CD1-CD2 4.34Å; Y288-Y335 AromaticContact CD1-CE2 3.89Å; Y288-Y335 HydrophobicContact CD1-CE2 3.89Å; Y288-Y335 HydrophobicContact CE1-CE2 4.38Å; Y288-Y335 HydrophobicContact CG-CE2 4.42Å; L296-Y335 HydrophobicContact CD2-CE2 3.95Å; I299-Y335 HydrophobicContact CD1-CD2 4.16Å; I299-Y335 HydrophobicContact CD1-CG 4.29Å; I299-Y335 HydrophobicContact CG2-CD1 3.99Å; I299-Y335 HydrophobicContact CG2-CG 4.01Å; Y335-I344 WeakPolarHBondContact CA-O 3.49Å; Y335-I346 HydrophobicContact CD2-CG1 4.4Å; Y335-P389 HydrophobicContact CD1-CB 3.97Å; Y335-P389 HydrophobicContact CD1-CG 4.29Å; Y335-P389 HydrophobicContact CE1-CB 3.73Å; Y335-P389 HydrophobicContact CE1-CG 3.68Å; Y335-G390 PolarHBondContact OH-O 3Å; Y335-G390 VanDerWaalsContact OH-O 3.06Å; Y335-A392 HydrophobicContact CD2-CB 4.25Å; Y335-A392 HydrophobicContact CE1-CB 4.48Å; Y335-A392 HydrophobicContact CE2-CB 3.69Å; Y335-A392 WeakPolarHBondContact O-CA 3.43Å; Y335-A392 PolarHBondContact OH-N 3.44Å; Y335-M393 PolarHBondContact O-N 2.66Å |
| 336 | S | 93.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 148.8 | 178.1 | 172 | 0 | 0 | 0 | 0 | 111.8 | R338 N339 I344 R345 I346 M393 D394 | S336-R338 PolarHBondContact OG-N 2.7Å; S336-N339 WeakPolarHBondContact OG-CB 3.47Å; S336-N339 PolarHBondContact OG-N 2.96Å; S336-I344 PolarHBondContact N-O 3.2Å; S336-I344 VanDerWaalsContact N-O 3.1Å; S336-R345 CarbonylContact O-C 3.57Å; S336-R345 WeakPolarHBondContact O-CA 3.32Å; S336-I346 PolarHBondContact O-N 2.92Å; S336-M393 WeakPolarHBondContact CB-O 3.46Å; S336-D394 PolarHBondContact OG-OD1 3Å |
| 337 | A | 90.5 | Very high | 86.5 | Confident | 19 Ų | 19 | 30.5 Ų | 30.5 | 16% | 0.157 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -86 | -13.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y288 A289 I346 V348 | Y288-A337 HydrophobicContact CE1-CB 4Å; Y288-A337 PolarHBondContact OH-N 2.96Å; Y288-A337 VanDerWaalsContact OH-N 3.12Å; A289-A337 HydrophobicContact CB-CB 3.8Å; A337-I346 WeakPolarHBondContact CA-O 3.33Å; A337-I346 HydrophobicContact CB-CB 4.17Å; A337-V348 HydrophobicContact CB-CG2 4.1Å |
| 338 | R | 82.3 | Confident | 87.7 | Confident | 208 Ų | 208 | 33.5 Ų | 33.5 | 79% | 0.785 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -114.1 | -33.3 | -172.1 | -63.3 | -175.6 | 178.3 | -169.2 | 0.5 | 113.1 | S336 | S336-R338 PolarHBondContact OG-N 2.7Š|
| 339 | N | 79.2 | Confident | 88.8 | Confident | 14 Ų | 14 | 31.2 Ų | 31.2 | 8% | 0.075 | 15% | 0.145 | C | C | . | . | trans | -100.7 | 117.2 | -163.5 | -179.7 | 13.2 | 0 | 0 | 0 | 112.4 | S336 S341 A342 M393 K395 L397 | S336-N339 WeakPolarHBondContact OG-CB 3.47Å; S336-N339 PolarHBondContact OG-N 2.96Å; N339-S341 PolarHBondContact ND2-OG 2.89Å; N339-S341 PolarHBondContact O-N 3.49Å; N339-S341 WeakPolarHBondContact OD1-CB 3.46Å; N339-S341 PolarHBondContact OD1-N 2.94Å; N339-S341 PolarHBondContact OD1-OG 3.33Å; N339-A342 PolarHBondContact O-N 3.01Å; N339-M393 PolarHBondContact ND2-O 2.9Å; N339-K395 PolarHBondContact ND2-O 2.87Å; N339-L397 VanDerWaalsContact ND2-CG 3.35Å; N339-L397 WeakPolarHBondContact ND2-CG 3.4Å | ||
| 340 | R | 77.4 | Confident | 89.6 | Confident | 139 Ų | 139 | 37 Ų | 37 | 53% | 0.525 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 3.2 | 176.4 | -66.1 | -175.2 | -178.6 | -167.7 | -1.6 | 114 | R360 | R340-R360 VanDerWaalsContact C-NH1 3.34Å; R340-R360 PolarHBondContact O-NH1 3.44Å |
| 341 | S | 78.3 | Confident | 90.1 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.007 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -13.3 | 168.9 | 59.9 | 0 | 0 | 0 | 0 | 113.1 | N339 L397 | N339-S341 PolarHBondContact ND2-OG 2.89Å; N339-S341 PolarHBondContact O-N 3.49Å; N339-S341 WeakPolarHBondContact OD1-CB 3.46Å; N339-S341 PolarHBondContact OD1-N 2.94Å; N339-S341 PolarHBondContact OD1-OG 3.33Å; S341-L397 WeakPolarHBondContact OG-CB 3.45Å; S341-L397 WeakPolarHBondContact OG-CG 3.43Å; S341-L397 PolarHBondContact OG-N 3.39Å |
| 342 | A | 88.3 | Confident | 90.4 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 139.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | N339 I344 L397 | N339-A342 PolarHBondContact O-N 3.01Å; A342-I344 VanDerWaalsContact C-N 3.25Å; A342-I344 PolarHBondContact O-N 3.24Å; A342-L397 HydrophobicContact CB-CD1 4.19Å |
| 343 | S | 92.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -18.5 | 179 | 74.9 | 0 | 0 | 0 | 0 | 114.1 | P330 M332 L333 A334 R360 | P330-S343 WeakPolarHBondContact O-CB 3.18Å; M332-S343 WeakPolarHBondContact O-CB 3.35Å; M332-S343 PolarHBondContact O-N 2.81Å; M332-S343 PolarHBondContact O-OG 2.97Å; M332-S343 VanDerWaalsContact O-OG 3.1Å; L333-S343 WeakPolarHBondContact CA-OG 3.24Å; A334-S343 PolarHBondContact O-N 2.76Å; S343-R360 WeakPolarHBondContact O-CB 3.36Å; S343-R360 PolarHBondContact O-N 2.99Å |
| 344 | I | 96.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 103.6 | 174.9 | -51.7 | 179.8 | 0 | 0 | 0 | 109.8 | I299 V302 I303 A334 Y335 S336 A342 I346 I357 E358 V359 | I299-I344 HydrophobicContact CG1-CG2 4.29Å; I299-I344 HydrophobicContact CG2-CD1 3.8Å; I299-I344 HydrophobicContact CG2-CG2 4.47Å; V302-I344 HydrophobicContact CB-CD1 4.21Å; V302-I344 HydrophobicContact CG1-CD1 3.86Å; I303-I344 HydrophobicContact CD1-CD1 4.37Å; I303-I344 HydrophobicContact CG1-CD1 3.82Å; A334-I344 PolarHBondContact O-N 2.84Å; A334-I344 VanDerWaalsContact O-N 3.09Å; Y335-I344 WeakPolarHBondContact CA-O 3.49Å; S336-I344 PolarHBondContact N-O 3.2Å; S336-I344 VanDerWaalsContact N-O 3.1Å; A342-I344 VanDerWaalsContact C-N 3.25Å; A342-I344 PolarHBondContact O-N 3.24Å; I344-I346 HydrophobicContact CG2-CD1 4.41Å; I344-I357 HydrophobicContact CG2-CB 4.25Å; I344-E358 CarbonylContact C-O 3.56Å; I344-E358 VanDerWaalsContact CA-O 3.23Å; I344-E358 WeakPolarHBondContact CA-O 3.19Å; I344-V359 HydrophobicContact CD1-CG2 4.44Å; I344-V359 HydrophobicContact CG1-CG2 4.17Å; I344-V359 HydrophobicContact CG2-CG2 4.35Å |
| 345 | R | 95.4 | Very high | 91.1 | Very high | 65 Ų | 65 | 53.1 Ų | 53.1 | 25% | 0.245 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 146.4 | 175.7 | -170.4 | 174.5 | 65 | 116.1 | -6.9 | 110.4 | S336 P347 E358 | S336-R345 CarbonylContact O-C 3.57Å; S336-R345 WeakPolarHBondContact O-CA 3.32Å; R345-P347 WeakPolarHBondContact O-CD 3.37Å; R345-E358 HydrophobicContact CB-CB 4.23Å; R345-E358 WeakPolarHBondContact CB-OE2 3.32Å; R345-E358 IonicContact CZ-OE1 3.83Å; R345-E358 IonicContact CZ-OE2 2.88Å; R345-E358 PolarHBondContact N-O 3.17Å; R345-E358 IonicContact NE-OE1 3.6Å; R345-E358 IonicContact NE-OE2 3.24Å; R345-E358 PolarHBondContact NE-OE2 3.02Å; R345-E358 IonicContact NH2-OE1 3.9Å; R345-E358 PolarHBondContact NH2-OE1 3.35Å; R345-E358 IonicContact NH2-OE2 3.89Å; R345-E358 PolarHBondContact NH2-OE2 3.1Å; R345-E358 WeakPolarHBondContact O-CB 3.16Å; R345-E358 PolarHBondContact O-N 2.88Å |
| 346 | I | 97 | Very high | 91.2 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -107 | 102.8 | 170.7 | -47.2 | -54.7 | 0 | 0 | 0 | 108.9 | A289 L291 I299 Y335 S336 A337 I344 V348 I357 | A289-I346 HydrophobicContact CB-CB 4.3Å; A289-I346 HydrophobicContact CB-CG2 3.8Å; L291-I346 HydrophobicContact CD1-CD1 3.79Å; L291-I346 HydrophobicContact CD1-CG1 4.01Å; L291-I346 HydrophobicContact CD1-CG2 4.14Å; L291-I346 HydrophobicContact CD2-CG2 4Å; L291-I346 HydrophobicContact CG-CG2 4.07Å; I299-I346 HydrophobicContact CD1-CD1 3.86Å; Y335-I346 HydrophobicContact CD2-CG1 4.4Å; S336-I346 PolarHBondContact O-N 2.92Å; A337-I346 WeakPolarHBondContact CA-O 3.33Å; A337-I346 HydrophobicContact CB-CB 4.17Å; I344-I346 HydrophobicContact CG2-CD1 4.41Å; I346-V348 PolarHBondContact O-N 2.71Å; I346-I357 HydrophobicContact CD1-CB 4.2Å; I346-I357 HydrophobicContact CD1-CG2 3.85Å | ||
| 347 | P | 94.9 | Very high | 91.5 | Very high | 8 Ų | 8 | 56.3 Ų | 56.3 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | trans | -56.7 | 126.1 | 177.5 | -27.2 | 35.9 | 0 | 0 | 0 | 112.1 | R345 V349 R355 R356 E358 | R345-P347 WeakPolarHBondContact O-CD 3.37Å; P347-V349 HydrophobicContact CB-CG1 4.41Å; P347-V349 PolarHBondContact O-N 2.82Å; P347-V349 VanDerWaalsContact O-N 3.14Å; P347-R355 PolarHBondContact O-NH1 2.86Å; P347-R356 HydrophobicContact CG-CG 4.21Å; P347-E358 HydrophobicContact CG-CB 4.37Å | ||
| 348 | V | 91.9 | Very high | 91.8 | Very high | 116 Ų | 116 | 55.4 Ų | 55.4 | 70% | 0.703 | 28% | 0.278 | S | S | * | . | trans | -78.3 | 100.9 | 175.3 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | A337 I346 | A337-V348 HydrophobicContact CB-CG2 4.1Å; I346-V348 PolarHBondContact O-N 2.71Å | ||
| 349 | V | 91.8 | Very high | 92.6 | Very high | 35 Ų | 35 | 45.5 Ų | 45.5 | 21% | 0.212 | 24% | 0.241 | C | C | . | . | trans | -119.7 | 150.1 | 176.7 | -64.2 | 0 | 0 | 0 | 0 | 111.1 | P347 A354 R355 | P347-V349 HydrophobicContact CB-CG1 4.41Å; P347-V349 PolarHBondContact O-N 2.82Å; P347-V349 VanDerWaalsContact O-N 3.14Å; V349-A354 HydrophobicContact CB-CB 4.16Å; V349-A354 HydrophobicContact CG1-CB 4.34Å; V349-A354 HydrophobicContact CG2-CB 3.96Å; V349-R355 PolarHBondContact O-NH1 3Å; V349-R355 PolarHBondContact O-NH2 3.3Å | ||
| 350 | S | 90.6 | Very high | 93.4 | Very high | 125 Ų | 125 | 45.4 Ų | 45.4 | 87% | 0.874 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -76.6 | -39.6 | 178.9 | 54.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 351 | S | 94.1 | Very high | 94.4 | Very high | 47 Ų | 47 | 38.8 Ų | 38.8 | 33% | 0.329 | 21% | 0.214 | S | C | . | . | trans | -83.9 | 127.5 | -176.3 | -179.4 | 0 | 0 | 0 | 0 | 111.9 | K353 A354 | S351-K353 PolarHBondContact O-N 3.4Å; S351-K353 PolarHBondContact OG-N 2.97Å; S351-A354 PolarHBondContact O-N 3.4Å | ||
| 352 | P | 93.7 | Very high | 95.3 | Very high | 84 Ų | 84 | 38.8 Ų | 38.8 | 55% | 0.545 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -54.6 | -32.6 | 169.4 | -26.9 | 35.7 | 0 | 0 | 0 | 112.8 | N281 A284 A354 R355 | N281-P352 PolarHBondContact ND2-O 3.12Å; A284-P352 HydrophobicContact CB-CB 3.89Å; A284-P352 WeakPolarHBondContact CB-O 3.24Å; P352-A354 PolarHBondContact O-N 3.04Å; P352-R355 WeakPolarHBondContact O-CB 3.11Å; P352-R355 PolarHBondContact O-N 3.47Å; P352-R355 VanDerWaalsContact O-N 3.16Å |
| 353 | K | 94.6 | Very high | 95.8 | Very high | 181 Ų | 181 | 38.8 Ų | 38.8 | 79% | 0.787 | 21% | 0.214 | S | C | * | . | G | 310 helix | trans | -62.5 | -27.6 | 178.4 | -63.5 | -175.2 | 176.1 | -176.7 | 0 | 112.9 | N281 S351 | N281-K353 PolarHBondContact ND2-O 3.36Å; S351-K353 PolarHBondContact O-N 3.4Å; S351-K353 PolarHBondContact OG-N 2.97Å |
| 354 | A | 96.4 | Very high | 96.1 | Very high | 38 Ų | 38 | 38.8 Ų | 38.8 | 31% | 0.314 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -94.5 | -0.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | V349 S351 P352 R356 | V349-A354 HydrophobicContact CB-CB 4.16Å; V349-A354 HydrophobicContact CG1-CB 4.34Å; V349-A354 HydrophobicContact CG2-CB 3.96Å; S351-A354 PolarHBondContact O-N 3.4Å; P352-A354 PolarHBondContact O-N 3.04Å; A354-R356 PolarHBondContact O-N 3.29Å; A354-R356 PolarHBondContact O-NH1 3.02Å |
| 355 | R | 98 | Very high | 96.2 | Very high | 29 Ų | 29 | 40 Ų | 40 | 11% | 0.109 | 23% | 0.225 | C | C | . | . | trans | -66 | 130.5 | -177.7 | -170.4 | 69.6 | 61.6 | -155.7 | -7.4 | 110 | N281 A284 A289 G290 L291 P347 V349 P352 | N281-R355 PolarHBondContact ND2-O 3.32Å; A284-R355 HydrophobicContact CB-CB 4.09Å; A289-R355 WeakPolarHBondContact O-CD 3.48Å; A289-R355 PolarHBondContact O-NE 2.67Å; A289-R355 PolarHBondContact O-NH1 2.94Å; G290-R355 WeakPolarHBondContact O-CG 3.48Å; G290-R355 PolarHBondContact O-NE 3.24Å; L291-R355 HydrophobicContact CD2-CG 3.96Å; P347-R355 PolarHBondContact O-NH1 2.86Å; V349-R355 PolarHBondContact O-NH1 3Å; V349-R355 PolarHBondContact O-NH2 3.3Å; P352-R355 WeakPolarHBondContact O-CB 3.11Å; P352-R355 PolarHBondContact O-N 3.47Å; P352-R355 VanDerWaalsContact O-N 3.16Å | ||
| 356 | R | 98.3 | Very high | 96.4 | Very high | 73 Ų | 73 | 37 Ų | 37 | 28% | 0.275 | 21% | 0.213 | S | C | . | . | trans | -159.9 | 171.9 | -174.2 | 63.2 | -165.3 | -172.9 | -91.5 | 7.1 | 110.3 | H272 M273 P347 A354 | H272-R356 PolarHBondContact ND1-NE 2.76Å; H272-R356 VanDerWaalsContact ND1-NE 3.18Å; M273-R356 WeakPolarHBondContact O-CA 3.44Å; M273-R356 VanDerWaalsContact O-CB 3.3Å; M273-R356 WeakPolarHBondContact O-CB 2.96Å; P347-R356 HydrophobicContact CG-CG 4.21Å; A354-R356 PolarHBondContact O-N 3.29Å; A354-R356 PolarHBondContact O-NH1 3.02Å | ||
| 357 | I | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 159.1 | 166.4 | 71.7 | -179.6 | 0 | 0 | 0 | 109 | H272 M273 F283 L291 Y298 I299 I344 I346 V359 | H272-I357 CarbonylContact C-O 3.56Å; H272-I357 VanDerWaalsContact CA-O 3.27Å; H272-I357 WeakPolarHBondContact CA-O 3.06Å; M273-I357 HydrophobicContact CB-CG1 4.03Å; M273-I357 HydrophobicContact CE-CD1 4.21Å; M273-I357 HydrophobicContact CE-CG1 4.29Å; M273-I357 PolarHBondContact N-O 3.47Å; M273-I357 PolarHBondContact O-N 3.41Å; F283-I357 HydrophobicContact CD2-CG2 4.09Å; F283-I357 HydrophobicContact CE2-CD1 4.11Å; F283-I357 HydrophobicContact CE2-CG1 4.06Å; F283-I357 HydrophobicContact CE2-CG2 4.06Å; L291-I357 HydrophobicContact CD2-CG2 4.4Å; Y298-I357 HydrophobicContact CD1-CD1 3.56Å; Y298-I357 HydrophobicContact CE1-CD1 3.84Å; I299-I357 HydrophobicContact CD1-CG2 3.85Å; I299-I357 HydrophobicContact CG1-CD1 4.18Å; I299-I357 HydrophobicContact CG1-CG2 3.89Å; I344-I357 HydrophobicContact CG2-CB 4.25Å; I346-I357 HydrophobicContact CD1-CB 4.2Å; I346-I357 HydrophobicContact CD1-CG2 3.85Å; I357-V359 HydrophobicContact CD1-CG2 4.25Å |
| 358 | E | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 113.2 | 171.7 | 179.8 | -165.5 | -102.4 | 0 | 0 | 108.8 | H270 C271 H272 I344 R345 P347 R360 | H270-E358 HydrophobicContact CB-CG 3.88Å; C271-E358 WeakPolarHBondContact O-CA 3.44Å; H272-E358 IonicContact CE1-OE1 3.87Å; H272-E358 PolarHBondContact CE1-OE1 2.93Å; H272-E358 IonicContact NE2-OE1 2.93Å; H272-E358 PolarHBondContact NE2-OE1 3.19Å; I344-E358 CarbonylContact C-O 3.56Å; I344-E358 VanDerWaalsContact CA-O 3.23Å; I344-E358 WeakPolarHBondContact CA-O 3.19Å; R345-E358 HydrophobicContact CB-CB 4.23Å; R345-E358 WeakPolarHBondContact CB-OE2 3.32Å; R345-E358 IonicContact CZ-OE1 3.83Å; R345-E358 IonicContact CZ-OE2 2.88Å; R345-E358 PolarHBondContact N-O 3.17Å; R345-E358 IonicContact NE-OE1 3.6Å; R345-E358 IonicContact NE-OE2 3.24Å; R345-E358 PolarHBondContact NE-OE2 3.02Å; R345-E358 IonicContact NH2-OE1 3.9Å; R345-E358 PolarHBondContact NH2-OE1 3.35Å; R345-E358 IonicContact NH2-OE2 3.89Å; R345-E358 PolarHBondContact NH2-OE2 3.1Å; R345-E358 WeakPolarHBondContact O-CB 3.16Å; R345-E358 PolarHBondContact O-N 2.88Å; P347-E358 HydrophobicContact CG-CB 4.37Å; E358-R360 HydrophobicContact CG-CG 3.81Å; E358-R360 WeakPolarHBondContact OE2-CD 3.33Å; E358-R360 WeakPolarHBondContact OE2-CG 3.22Å; E358-R360 IonicContact OE2-NE 3.85Å |
| 359 | V | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 116 | 175 | 179.1 | 0 | 0 | 0 | 0 | 108.3 | C271 M273 V302 I344 I357 F361 P362 L375 | C271-V359 PolarHBondContact N-O 3.26Å; C271-V359 PolarHBondContact O-N 2.85Å; M273-V359 HydrophobicContact CE-CB 3.59Å; M273-V359 HydrophobicContact CE-CG2 3.16Å; V302-V359 HydrophobicContact CG1-CG1 4.25Å; V302-V359 HydrophobicContact CG1-CG2 4.07Å; I344-V359 HydrophobicContact CD1-CG2 4.44Å; I344-V359 HydrophobicContact CG1-CG2 4.17Å; I344-V359 HydrophobicContact CG2-CG2 4.35Å; I357-V359 HydrophobicContact CD1-CG2 4.25Å; V359-F361 HydrophobicContact CG1-CD1 3.61Å; V359-F361 HydrophobicContact CG1-CD2 4.44Å; V359-F361 HydrophobicContact CG1-CE1 3.15Å; V359-F361 HydrophobicContact CG1-CE2 4.03Å; V359-F361 HydrophobicContact CG1-CG 4.25Å; V359-F361 HydrophobicContact CG1-CZ 3.38Å; V359-P362 HydrophobicContact CG1-CG 4.36Å; V359-P362 WeakPolarHBondContact O-CD 3.16Å; V359-L375 HydrophobicContact CB-CD2 4.4Å; V359-L375 HydrophobicContact CG1-CD2 3.96Å |
| 360 | R | 96.8 | Very high | 97.3 | Very high | 13 Ų | 13 | 29.8 Ų | 29.8 | 5% | 0.049 | 17% | 0.169 | C | C | . | . | trans | -100.1 | -17.5 | -162.2 | -60.1 | -176.1 | 70.2 | -151.7 | -3.9 | 115 | H270 R322 P330 R340 S343 E358 | H270-R360 PolarHBondContact NE2-NE 2.95Å; H270-R360 PolarHBondContact NE2-NH2 3Å; R322-R360 PolarHBondContact NH2-O 3.09Å; P330-R360 HydrophobicContact CB-CB 3.67Å; P330-R360 VanDerWaalsContact CG-C 3.4Å; P330-R360 HydrophobicContact CG-CB 3.65Å; P330-R360 VanDerWaalsContact CG-O 3.3Å; P330-R360 WeakPolarHBondContact CG-O 3.25Å; R340-R360 VanDerWaalsContact C-NH1 3.34Å; R340-R360 PolarHBondContact O-NH1 3.44Å; S343-R360 WeakPolarHBondContact O-CB 3.36Å; S343-R360 PolarHBondContact O-N 2.99Å; E358-R360 HydrophobicContact CG-CG 3.81Å; E358-R360 WeakPolarHBondContact OE2-CD 3.33Å; E358-R360 WeakPolarHBondContact OE2-CG 3.22Å; E358-R360 IonicContact OE2-NE 3.85Å | ||
| 361 | F | 97.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -66.1 | -29 | -179.7 | 61.6 | -107.4 | 0 | 0 | 0 | 115.2 | V302 I309 N310 A313 N314 R322 L323 P330 L333 V359 L375 V411 | V302-F361 HydrophobicContact CG1-CE1 4.21Å; V302-F361 HydrophobicContact CG1-CZ 4.24Å; I309-F361 HydrophobicContact CB-CE2 4.45Å; I309-F361 HydrophobicContact CG2-CE2 3.77Å; I309-F361 HydrophobicContact CG2-CZ 4.02Å; N310-F361 WeakPolarHBondContact ND2-CD2 3.24Å; A313-F361 HydrophobicContact CB-CD2 4.36Å; A313-F361 HydrophobicContact CB-CE2 4.1Å; N314-F361 PolarHBondContact ND2-O 3.4Å; N314-F361 PolarHBondContact OD1-O 3.48Å; R322-F361 PolarHBondContact NH1-O 3.14Å; L323-F361 HydrophobicContact CD2-CB 4.27Å; P330-F361 HydrophobicContact CG-CB 4.3Å; L333-F361 HydrophobicContact CD2-CE1 4.49Å; V359-F361 HydrophobicContact CG1-CD1 3.61Å; V359-F361 HydrophobicContact CG1-CD2 4.44Å; V359-F361 HydrophobicContact CG1-CE1 3.15Å; V359-F361 HydrophobicContact CG1-CE2 4.03Å; V359-F361 HydrophobicContact CG1-CG 4.25Å; V359-F361 HydrophobicContact CG1-CZ 3.38Å; F361-L375 HydrophobicContact CZ-CD2 4.22Å; F361-V411 HydrophobicContact CB-CG1 4.05Å; F361-V411 HydrophobicContact CD1-CG1 4.15Å; F361-V411 HydrophobicContact CG-CG1 4.14Å | ||
| 362 | P | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -58 | 152.2 | 177.8 | -21.4 | 32.4 | 0 | 0 | 0 | 112.2 | M269 C271 A313 R322 V359 L375 | M269-P362 HydrophobicContact CE-CB 4.32Å; M269-P362 PolarHBondContact N-O 3.45Å; M269-P362 WeakPolarHBondContact O-CB 3.5Å; C271-P362 HydrophobicContact CB-CG 4.49Å; A313-P362 HydrophobicContact CB-CB 3.91Å; A313-P362 HydrophobicContact CB-CG 4.01Å; A313-P362 WeakPolarHBondContact O-CA 3.36Å; R322-P362 PolarHBondContact NH1-O 3.49Å; V359-P362 HydrophobicContact CG1-CG 4.36Å; V359-P362 WeakPolarHBondContact O-CD 3.16Å; P362-L375 HydrophobicContact CG-CD1 4.31Å | ||
| 363 | D | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -129.1 | 164.6 | 176.9 | 64 | 58.1 | 0 | 0 | 0 | 111.7 | P258 A313 N314 S319 A365 A366 | P258-D363 HydrophobicContact CB-CB 3.94Å; P258-D363 HydrophobicContact CG-CB 3.77Å; P258-D363 VanDerWaalsContact CG-OD1 3.31Å; P258-D363 WeakPolarHBondContact CG-OD1 3.13Å; A313-D363 PolarHBondContact O-N 3.37Å; N314-D363 WeakPolarHBondContact CA-OD2 3.43Å; N314-D363 PolarHBondContact ND2-OD2 2.61Å; S319-D363 WeakPolarHBondContact CB-OD2 3.48Å; S319-D363 PolarHBondContact OG-OD1 2.95Å; S319-D363 PolarHBondContact OG-OD2 2.84Å; D363-A365 PolarHBondContact O-N 3Å; D363-A365 VanDerWaalsContact O-N 3.12Å; D363-A365 WeakPolarHBondContact OD1-CB 3.43Å; D363-A365 PolarHBondContact OD1-N 3.06Å; D363-A365 VanDerWaalsContact OD1-N 3.1Å; D363-A366 WeakPolarHBondContact O-CB 3.36Å; D363-A366 PolarHBondContact O-N 3.34Å; D363-A366 VanDerWaalsContact O-N 3.09Å | ||
| 364 | P | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -7.6 | -172.5 | -20.1 | 33.6 | 0 | 0 | 0 | 114.5 | P131 E132 K240 F256 S267 G268 M269 A366 | P131-P364 HydrophobicContact CB-CB 4.46Å; P131-P364 HydrophobicContact CB-CG 4.45Å; E132-P364 WeakPolarHBondContact O-CG 3.36Å; K240-P364 VanDerWaalsContact CE-O 3.24Å; K240-P364 WeakPolarHBondContact CE-O 3.19Å; K240-P364 PolarHBondContact NZ-O 2.92Å; F256-P364 HydrophobicContact CB-CB 3.88Å; F256-P364 HydrophobicContact CD1-CB 3.6Å; F256-P364 HydrophobicContact CD1-CG 4.3Å; F256-P364 HydrophobicContact CG-CB 4.2Å; S267-P364 VanDerWaalsContact O-CD 3.25Å; S267-P364 WeakPolarHBondContact O-CD 3.42Å; G268-P364 WeakPolarHBondContact O-CG 3.18Å; M269-P364 HydrophobicContact CB-CG 4.13Å; P364-A366 PolarHBondContact O-N 3.1Å |
| 365 | A | 98.8 | Very high | 98.5 | Very high | 27 Ų | 27 | 7.2 Ų | 7.2 | 22% | 0.223 | 3% | 0.033 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -14.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P258 P315 T316 D363 | P258-A365 HydrophobicContact CG-CB 4.04Å; P315-A365 HydrophobicContact CG-CB 4.34Å; P315-A365 WeakPolarHBondContact CG-O 3.48Å; T316-A365 HydrophobicContact CG2-CB 3.61Å; D363-A365 PolarHBondContact O-N 3Å; D363-A365 VanDerWaalsContact O-N 3.12Å; D363-A365 WeakPolarHBondContact OD1-CB 3.43Å; D363-A365 PolarHBondContact OD1-N 3.06Å; D363-A365 VanDerWaalsContact OD1-N 3.1Å |
| 366 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.028 | C | C | . | . | S | Bend | trans | -53 | 137.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | M269 D363 P364 P368 C371 | M269-A366 HydrophobicContact CE-CB 3.89Å; D363-A366 WeakPolarHBondContact O-CB 3.36Å; D363-A366 PolarHBondContact O-N 3.34Å; D363-A366 VanDerWaalsContact O-N 3.09Å; P364-A366 PolarHBondContact O-N 3.1Å; A366-P368 WeakPolarHBondContact O-CD 3.12Å; A366-C371 HydrophobicContact CB-CB 3.87Å |
| 367 | N | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 2.4 Ų | 2.4 | 1% | 0.005 | 2% | 0.016 | C | C | . | . | trans | -67.8 | 113.7 | 161.6 | -179.3 | -34 | 0 | 0 | 0 | 106.8 | D24 T25 G27 P105 Y369 L370 C371 | D24-N367 PolarHBondContact O-ND2 2.89Å; T25-N367 PolarHBondContact O-ND2 2.9Å; G27-N367 WeakPolarHBondContact CA-ND2 3.18Å; G27-N367 PolarHBondContact N-ND2 2.86Å; P105-N367 WeakPolarHBondContact CG-ND2 3.32Å; N367-Y369 VanDerWaalsContact C-N 3.25Å; N367-Y369 PolarHBondContact O-N 3.09Å; N367-Y369 WeakPolarHBondContact OD1-CD2 3.3Å; N367-Y369 PolarHBondContact OD1-N 3.29Å; N367-Y369 VanDerWaalsContact OD1-N 3.16Å; N367-L370 HydrophobicContact CB-CB 4.23Å; N367-L370 HydrophobicContact CB-CD1 4.13Å; N367-L370 HydrophobicContact CB-CG 4.1Å; N367-L370 PolarHBondContact O-N 3.44Å; N367-C371 WeakPolarHBondContact O-CB 3.29Å; N367-C371 PolarHBondContact O-N 2.88Å | ||
| 368 | P | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 2.4 Ų | 2.4 | 0% | 0 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -61.2 | -37.1 | -169.9 | 25.1 | -34.6 | 0 | 0 | 0 | 111.8 | A233 I236 Q237 A366 F372 | A233-P368 HydrophobicContact CB-CB 3.82Å; A233-P368 HydrophobicContact CB-CG 4.2Å; I236-P368 HydrophobicContact CB-CB 3.97Å; I236-P368 HydrophobicContact CB-CG 4.22Å; I236-P368 HydrophobicContact CG1-CB 4.47Å; I236-P368 HydrophobicContact CG2-CB 3.81Å; I236-P368 HydrophobicContact CG2-CG 3.91Å; Q237-P368 HydrophobicContact CG-CG 4.31Å; A366-P368 WeakPolarHBondContact O-CD 3.12Å; P368-F372 HydrophobicContact CB-CE2 4.05Å; P368-F372 HydrophobicContact CB-CZ 4.06Å; P368-F372 VanDerWaalsContact O-CB 3.29Å; P368-F372 WeakPolarHBondContact O-CB 3.35Å; P368-F372 WeakPolarHBondContact O-CD1 3.26Å; P368-F372 VanDerWaalsContact O-CD2 3.28Å; P368-F372 WeakPolarHBondContact O-CD2 3.2Å; P368-F372 WeakPolarHBondContact O-CG 3.41Å; P368-F372 PolarHBondContact O-N 3.42Å |
| 369 | Y | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 2.4 Ų | 2.4 | 0% | 0.004 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -63.2 | -50.7 | 179.1 | -56.6 | -77.1 | 0 | 0 | 0 | 111.9 | T23 P105 R106 A109 A233 D234 Q237 N367 A373 | T23-Y369 HydrophobicContact CG2-CD2 4.03Å; T23-Y369 HydrophobicContact CG2-CE2 3.89Å; P105-Y369 HydrophobicContact CB-CD2 3.96Å; P105-Y369 HydrophobicContact CB-CG 4.08Å; P105-Y369 VanDerWaalsContact O-CB 3.29Å; P105-Y369 WeakPolarHBondContact O-CB 3.15Å; R106-Y369 HydrophobicContact CB-CD1 4.25Å; R106-Y369 HydrophobicContact CB-CE1 4.12Å; R106-Y369 HydrophobicContact CG-CD1 4.22Å; R106-Y369 HydrophobicContact CG-CE1 3.78Å; A109-Y369 HydrophobicContact CB-CD1 3.97Å; A233-Y369 HydrophobicContact CB-CD1 3.33Å; A233-Y369 HydrophobicContact CB-CD2 4.49Å; A233-Y369 HydrophobicContact CB-CE1 3.47Å; A233-Y369 VanDerWaalsContact CB-CE1 3.47Å; A233-Y369 HydrophobicContact CB-CG 3.88Å; D234-Y369 VanDerWaalsContact OD1-CE1 3.23Å; D234-Y369 WeakPolarHBondContact OD1-CE1 3.31Å; D234-Y369 PolarHBondContact OD1-OH 2.96Å; Q237-Y369 HydrophobicContact CG-CE2 4.07Å; N367-Y369 VanDerWaalsContact C-N 3.25Å; N367-Y369 PolarHBondContact O-N 3.09Å; N367-Y369 WeakPolarHBondContact OD1-CD2 3.3Å; N367-Y369 PolarHBondContact OD1-N 3.29Å; N367-Y369 VanDerWaalsContact OD1-N 3.16Å; Y369-A373 VanDerWaalsContact O-CB 3.23Å; Y369-A373 WeakPolarHBondContact O-CB 3.32Å; Y369-A373 PolarHBondContact O-N 3.43Å |
| 370 | L | 98.9 | Very high | 98.7 | Very high | 7 Ų | 7 | 2.5 Ų | 2.5 | 4% | 0.037 | 2% | 0.016 | C | C | . | . | H | α-helix | trans | -70.9 | -40.5 | -177.5 | -54.3 | -177.7 | 0 | 0 | 0 | 111.9 | P105 I108 L312 N367 A374 F435 Y443 | P105-L370 HydrophobicContact CB-CD2 3.83Å; P105-L370 HydrophobicContact CB-CG 4.05Å; P105-L370 HydrophobicContact CG-CD2 4.43Å; I108-L370 HydrophobicContact CB-CD2 4.31Å; I108-L370 HydrophobicContact CD1-CD2 3.72Å; I108-L370 HydrophobicContact CG2-CD2 4.21Å; L312-L370 HydrophobicContact CD2-CB 4.13Å; L312-L370 HydrophobicContact CD2-CD1 4.33Å; N367-L370 HydrophobicContact CB-CB 4.23Å; N367-L370 HydrophobicContact CB-CD1 4.13Å; N367-L370 HydrophobicContact CB-CG 4.1Å; N367-L370 PolarHBondContact O-N 3.44Å; L370-A374 VanDerWaalsContact O-CB 3.31Å; L370-A374 WeakPolarHBondContact O-CB 3.23Å; L370-A374 PolarHBondContact O-N 2.83Å; L370-F435 HydrophobicContact CD2-CE1 4.05Å; L370-F435 HydrophobicContact CD2-CZ 4.38Å; L370-Y443 HydrophobicContact CD1-CD2 3.85Å; L370-Y443 HydrophobicContact CD1-CE2 3.84Å |
| 371 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 3.3 Ų | 3.3 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -61.1 | -48.8 | 177.1 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | A366 N367 A374 L375 | A366-C371 HydrophobicContact CB-CB 3.87Å; N367-C371 WeakPolarHBondContact O-CB 3.29Å; N367-C371 PolarHBondContact O-N 2.88Å; C371-A374 PolarHBondContact O-N 2.84Å; C371-L375 WeakPolarHBondContact O-CG 3.29Å; C371-L375 PolarHBondContact O-N 3.06Å |
| 372 | F | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 3.3 Ų | 3.3 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -69.2 | -40.3 | -179.1 | -59 | -11.2 | 0 | 0 | 0 | 111.5 | F127 P129 M229 K232 A233 I236 M269 P368 A374 L375 L376 | F127-F372 HydrophobicContact CB-CD2 4.37Å; F127-F372 HydrophobicContact CD1-CB 3.98Å; F127-F372 AromaticContact CD1-CD1 3.63Å; F127-F372 HydrophobicContact CD1-CD1 3.63Å; F127-F372 HydrophobicContact CD1-CD2 4.09Å; F127-F372 HydrophobicContact CD1-CE1 4.15Å; F127-F372 AromaticContact CD1-CG 3.62Å; F127-F372 HydrophobicContact CD1-CG 3.62Å; F127-F372 HydrophobicContact CD2-CB 4.34Å; F127-F372 HydrophobicContact CE1-CB 3.64Å; F127-F372 AromaticContact CE1-CD1 3.69Å; F127-F372 HydrophobicContact CE1-CD1 3.69Å; F127-F372 AromaticContact CE1-CG 3.73Å; F127-F372 HydrophobicContact CE1-CG 3.73Å; F127-F372 HydrophobicContact CE2-CB 4.02Å; F127-F372 HydrophobicContact CG-CB 4.32Å; F127-F372 HydrophobicContact CG-CD1 4.48Å; F127-F372 HydrophobicContact CG-CD2 4.15Å; F127-F372 HydrophobicContact CG-CG 4.07Å; F127-F372 HydrophobicContact CZ-CB 3.67Å; F127-F372 HydrophobicContact CZ-CG 4.25Å; F127-F372 VanDerWaalsContact CZ-O 3.3Å; F127-F372 WeakPolarHBondContact CZ-O 3.24Å; P129-F372 HydrophobicContact CB-CE1 4.38Å; P129-F372 HydrophobicContact CB-CZ 3.94Å; P129-F372 HydrophobicContact CG-CE2 4.4Å; P129-F372 HydrophobicContact CG-CZ 3.79Å; M229-F372 HydrophobicContact CG-CB 3.59Å; M229-F372 HydrophobicContact CG-CD2 4.33Å; M229-F372 HydrophobicContact CG-CG 4.44Å; M229-F372 HydrophobicContact SD-CB 3.92Å; K232-F372 HydrophobicContact CB-CE2 4.41Å; K232-F372 HydrophobicContact CG-CE2 4.32Å; A233-F372 HydrophobicContact CB-CD2 3.9Å; A233-F372 HydrophobicContact CB-CE2 3.98Å; I236-F372 HydrophobicContact CG1-CE2 4.47Å; I236-F372 HydrophobicContact CG1-CZ 4.19Å; M269-F372 HydrophobicContact CE-CE1 3.95Å; P368-F372 HydrophobicContact CB-CE2 4.05Å; P368-F372 HydrophobicContact CB-CZ 4.06Å; P368-F372 VanDerWaalsContact O-CB 3.29Å; P368-F372 WeakPolarHBondContact O-CB 3.35Å; P368-F372 WeakPolarHBondContact O-CD1 3.26Å; P368-F372 VanDerWaalsContact O-CD2 3.28Å; P368-F372 WeakPolarHBondContact O-CD2 3.2Å; P368-F372 WeakPolarHBondContact O-CG 3.41Å; P368-F372 PolarHBondContact O-N 3.42Å; F372-A374 VanDerWaalsContact C-N 3.35Å; F372-A374 PolarHBondContact O-N 2.81Å; F372-L375 PolarHBondContact O-N 3.46Å; F372-L376 WeakPolarHBondContact O-CB 3.27Å; F372-L376 PolarHBondContact O-N 2.71Å |
| 373 | A | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -59 | -46 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | I108 A112 Y369 L375 L376 M377 F435 | I108-A373 HydrophobicContact CG2-CB 4.24Å; A112-A373 HydrophobicContact CB-CB 4.01Å; Y369-A373 VanDerWaalsContact O-CB 3.23Å; Y369-A373 WeakPolarHBondContact O-CB 3.32Å; Y369-A373 PolarHBondContact O-N 3.43Å; A373-L375 PolarHBondContact O-N 3.14Å; A373-L376 PolarHBondContact O-N 3.44Å; A373-M377 WeakPolarHBondContact O-CB 3.41Å; A373-M377 WeakPolarHBondContact O-CG 3.46Å; A373-M377 PolarHBondContact O-N 3.16Å; A373-F435 HydrophobicContact CB-CE2 3.83Å; A373-F435 HydrophobicContact CB-CZ 3.94Å |
| 374 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -61.9 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L312 L370 C371 F372 L376 M377 A378 L429 | L312-A374 HydrophobicContact CB-CB 4.37Å; L312-A374 HydrophobicContact CD1-CB 3.46Å; L312-A374 VanDerWaalsContact CD1-CB 3.46Å; L370-A374 VanDerWaalsContact O-CB 3.31Å; L370-A374 WeakPolarHBondContact O-CB 3.23Å; L370-A374 PolarHBondContact O-N 2.83Å; C371-A374 PolarHBondContact O-N 2.84Å; F372-A374 VanDerWaalsContact C-N 3.35Å; F372-A374 PolarHBondContact O-N 2.81Å; A374-L376 VanDerWaalsContact C-N 3.33Å; A374-L376 PolarHBondContact O-N 2.65Å; A374-M377 PolarHBondContact O-N 3.18Å; A374-A378 WeakPolarHBondContact O-CB 3.46Å; A374-A378 PolarHBondContact O-N 2.78Å; A374-L429 HydrophobicContact CB-CD2 3.9Å |
| 375 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.8 | -40.3 | 175.2 | -74.8 | 168.5 | 0 | 0 | 0 | 112 | F127 C271 M273 Y298 V302 I309 V359 F361 P362 C371 F372 A373 G379 | F127-L375 HydrophobicContact CE1-CB 4.22Å; F127-L375 HydrophobicContact CE1-CD1 4.01Å; F127-L375 HydrophobicContact CZ-CB 4.12Å; C271-L375 HydrophobicContact CB-CD1 4.04Å; M273-L375 HydrophobicContact CE-CB 4.39Å; M273-L375 HydrophobicContact CE-CD1 4.14Å; M273-L375 HydrophobicContact CE-CD2 4.18Å; M273-L375 HydrophobicContact CE-CG 4.49Å; M273-L375 HydrophobicContact SD-CB 3.71Å; M273-L375 HydrophobicContact SD-CD1 4.06Å; M273-L375 HydrophobicContact SD-CG 4.33Å; Y298-L375 PolarHBondContact OH-O 3.39Å; Y298-L375 VanDerWaalsContact OH-O 3.07Å; V302-L375 HydrophobicContact CG1-CD2 4.32Å; I309-L375 HydrophobicContact CD1-CD2 4.34Å; I309-L375 HydrophobicContact CG2-CD2 3.86Å; I309-L375 HydrophobicContact CG2-CG 4.16Å; V359-L375 HydrophobicContact CB-CD2 4.4Å; V359-L375 HydrophobicContact CG1-CD2 3.96Å; F361-L375 HydrophobicContact CZ-CD2 4.22Å; P362-L375 HydrophobicContact CG-CD1 4.31Å; C371-L375 WeakPolarHBondContact O-CG 3.29Å; C371-L375 PolarHBondContact O-N 3.06Å; F372-L375 PolarHBondContact O-N 3.46Å; A373-L375 PolarHBondContact O-N 3.14Å; L375-G379 PolarHBondContact O-N 3.13Å; L375-G379 VanDerWaalsContact O-N 3.14Å |
| 376 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.8 | -52.6 | 174.4 | 175.9 | 60.6 | 0 | 0 | 0 | 111.3 | A112 L116 V125 M229 L275 Y298 F372 A373 A374 A378 G379 L380 | A112-L376 HydrophobicContact CB-CD2 4.05Å; L116-L376 HydrophobicContact CB-CD2 4.31Å; L116-L376 HydrophobicContact CD1-CD1 4.35Å; L116-L376 HydrophobicContact CD2-CD1 4.4Å; V125-L376 HydrophobicContact CB-CD1 4.18Å; V125-L376 HydrophobicContact CG1-CD1 4.39Å; V125-L376 HydrophobicContact CG1-CD2 3.95Å; V125-L376 HydrophobicContact CG2-CD1 4.11Å; M229-L376 HydrophobicContact CE-CD2 4.03Å; M229-L376 HydrophobicContact SD-CB 4.01Å; M229-L376 HydrophobicContact SD-CD2 3.87Å; L275-L376 HydrophobicContact CD2-CD1 4.08Å; Y298-L376 HydrophobicContact CE2-CD1 4.45Å; Y298-L376 WeakPolarHBondContact OH-CA 3.5Å; F372-L376 WeakPolarHBondContact O-CB 3.27Å; F372-L376 PolarHBondContact O-N 2.71Å; A373-L376 PolarHBondContact O-N 3.44Å; A374-L376 VanDerWaalsContact C-N 3.33Å; A374-L376 PolarHBondContact O-N 2.65Å; L376-A378 VanDerWaalsContact C-N 3.32Å; L376-A378 PolarHBondContact O-N 3Å; L376-G379 PolarHBondContact O-N 3.43Å; L376-L380 HydrophobicContact CD1-CD1 4.06Å; L376-L380 HydrophobicContact CD1-CD2 4.42Å; L376-L380 HydrophobicContact CD1-CG 3.94Å; L376-L380 HydrophobicContact CG-CD1 4.05Å; L376-L380 HydrophobicContact CG-CG 4.3Å; L376-L380 WeakPolarHBondContact O-CB 3.13Å; L376-L380 WeakPolarHBondContact O-CG 3.09Å; L376-L380 PolarHBondContact O-N 3.3Å |
| 377 | M | 98.9 | Very high | 98.8 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.01 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.8 | -42 | -176.5 | -66.7 | -52.3 | -72.6 | 0 | 0 | 111.6 | A112 Y115 A373 A374 L380 D381 F428 L429 A431 V434 | A112-M377 HydrophobicContact CB-SD 4.41Å; Y115-M377 HydrophobicContact CD1-CE 3.64Å; Y115-M377 HydrophobicContact CD1-SD 3.74Å; Y115-M377 HydrophobicContact CE1-CE 3.63Å; Y115-M377 HydrophobicContact CE1-SD 4.22Å; Y115-M377 HydrophobicContact CG-CE 4.45Å; A373-M377 WeakPolarHBondContact O-CB 3.41Å; A373-M377 WeakPolarHBondContact O-CG 3.46Å; A373-M377 PolarHBondContact O-N 3.16Å; A374-M377 PolarHBondContact O-N 3.18Å; M377-L380 PolarHBondContact O-N 3.45Å; M377-L380 HydrophobicContact SD-CD1 4.41Å; M377-D381 PolarHBondContact O-N 2.94Å; M377-F428 HydrophobicContact CB-CD2 3.84Å; M377-F428 HydrophobicContact CB-CE2 4.05Å; M377-F428 WeakPolarHBondContact CE-O 3.46Å; M377-L429 HydrophobicContact CB-CD2 4.12Å; M377-L429 HydrophobicContact CG-CD2 4.49Å; M377-A431 HydrophobicContact CE-CB 3.9Å; M377-A431 WeakPolarHBondContact CE-O 3.46Å; M377-V434 HydrophobicContact CE-CB 4.06Å; M377-V434 HydrophobicContact CE-CG2 3.8Å; M377-V434 HydrophobicContact CG-CG1 4.31Å; M377-V434 HydrophobicContact SD-CB 4.25Å; M377-V434 HydrophobicContact SD-CG1 4.19Å; M377-V434 HydrophobicContact SD-CG2 3.89Å |
| 378 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.8 | -45.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G301 H305 I309 A374 L376 L380 D381 G382 F428 | G301-A378 CarbonylContact C-O 3.57Å; G301-A378 VanDerWaalsContact CA-O 3.29Å; G301-A378 WeakPolarHBondContact CA-O 3.42Å; H305-A378 HydrophobicContact CB-CB 3.89Å; I309-A378 HydrophobicContact CD1-CB 3.52Å; I309-A378 HydrophobicContact CG1-CB 4.2Å; A374-A378 WeakPolarHBondContact O-CB 3.46Å; A374-A378 PolarHBondContact O-N 2.78Å; L376-A378 VanDerWaalsContact C-N 3.32Å; L376-A378 PolarHBondContact O-N 3Å; A378-L380 VanDerWaalsContact C-N 3.31Å; A378-L380 PolarHBondContact O-N 3.43Å; A378-D381 PolarHBondContact O-N 2.63Å; A378-G382 PolarHBondContact O-N 2.98Å; A378-F428 HydrophobicContact CB-CD2 4.04Å; A378-F428 HydrophobicContact CB-CE2 3.65Å; A378-F428 HydrophobicContact CB-CZ 4.34Å |
| 379 | G | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.8 | -36 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y298 L375 L376 G382 I383 | Y298-G379 VanDerWaalsContact CD2-CA 3.46Å; L375-G379 PolarHBondContact O-N 3.13Å; L375-G379 VanDerWaalsContact O-N 3.14Å; L376-G379 PolarHBondContact O-N 3.43Å; G379-G382 PolarHBondContact O-N 2.95Å; G379-I383 WeakPolarHBondContact O-CG1 3.27Å; G379-I383 PolarHBondContact O-N 2.82Å |
| 380 | L | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.2 | -41.9 | 174.2 | -72.5 | -176.6 | 0 | 0 | 0 | 112.5 | Y115 L116 I121 L376 M377 A378 G382 I383 K384 | Y115-L380 HydrophobicContact CD1-CD1 3.73Å; Y115-L380 HydrophobicContact CE1-CD1 4.02Å; L116-L380 HydrophobicContact CB-CD1 4.37Å; L116-L380 HydrophobicContact CD1-CD1 4.24Å; L116-L380 HydrophobicContact CD1-CD2 3.64Å; L116-L380 HydrophobicContact CD1-CG 4.44Å; I121-L380 HydrophobicContact CB-CD2 4.48Å; I121-L380 HydrophobicContact CD1-CD2 3.84Å; I121-L380 HydrophobicContact CG2-CD2 4.28Å; L376-L380 HydrophobicContact CD1-CD1 4.06Å; L376-L380 HydrophobicContact CD1-CD2 4.42Å; L376-L380 HydrophobicContact CD1-CG 3.94Å; L376-L380 HydrophobicContact CG-CD1 4.05Å; L376-L380 HydrophobicContact CG-CG 4.3Å; L376-L380 WeakPolarHBondContact O-CB 3.13Å; L376-L380 WeakPolarHBondContact O-CG 3.09Å; L376-L380 PolarHBondContact O-N 3.3Å; M377-L380 PolarHBondContact O-N 3.45Å; M377-L380 HydrophobicContact SD-CD1 4.41Å; A378-L380 VanDerWaalsContact C-N 3.31Å; A378-L380 PolarHBondContact O-N 3.43Å; L380-G382 VanDerWaalsContact C-N 3.31Å; L380-I383 PolarHBondContact O-N 3.24Å; L380-K384 WeakPolarHBondContact O-CG 3.4Å; L380-K384 PolarHBondContact O-N 3.04Å |
| 381 | D | 98.9 | Very high | 97.9 | Very high | 31 Ų | 31 | 33.9 Ų | 33.9 | 17% | 0.166 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.5 | -45.6 | 173 | -171 | 74.8 | 0 | 0 | 0 | 110.8 | K304 H305 M377 A378 I383 K384 N385 I387 F428 | K304-D381 IonicContact NZ-OD2 3.63Å; K304-D381 PolarHBondContact NZ-OD2 2.82Å; H305-D381 IonicContact CE1-OD2 3.53Å; H305-D381 IonicContact NE2-OD2 2.65Å; H305-D381 PolarHBondContact NE2-OD2 3.32Å; H305-D381 VanDerWaalsContact NE2-OD2 3.09Å; M377-D381 PolarHBondContact O-N 2.94Å; A378-D381 PolarHBondContact O-N 2.63Å; D381-I383 VanDerWaalsContact C-N 3.34Å; D381-I383 PolarHBondContact O-N 2.88Å; D381-K384 PolarHBondContact O-N 2.9Å; D381-N385 WeakPolarHBondContact O-CB 3.32Å; D381-N385 PolarHBondContact O-N 3.38Å; D381-N385 PolarHBondContact O-ND2 2.83Å; D381-N385 PolarHBondContact OD1-ND2 2.87Å; D381-N385 PolarHBondContact OD2-ND2 2.7Å; D381-I387 WeakPolarHBondContact OD2-CD1 3.28Å; D381-F428 HydrophobicContact CB-CB 4.03Å |
| 382 | G | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -48.9 | -52.1 | 172 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y297 A378 G379 L380 K386 I387 | Y297-G382 CarbonylContact O-C 3.46Å; Y297-G382 WeakPolarHBondContact O-CA 3.18Å; A378-G382 PolarHBondContact O-N 2.98Å; G379-G382 PolarHBondContact O-N 2.95Å; L380-G382 VanDerWaalsContact C-N 3.31Å; G382-K386 WeakPolarHBondContact O-CA 3.33Å; G382-K386 PolarHBondContact O-N 3.04Å; G382-I387 PolarHBondContact O-N 3.01Å |
| 383 | I | 98.7 | Very high | 96.9 | Very high | 19 Ų | 19 | 38.1 Ų | 38.1 | 10% | 0.097 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64 | -47 | 179 | -69 | 167 | 0 | 0 | 0 | 111.9 | I121 L275 Q294 Y298 G379 L380 D381 N385 K386 | I121-I383 HydrophobicContact CD1-CB 4.47Å; I121-I383 HydrophobicContact CD1-CG2 3.91Å; I121-I383 HydrophobicContact CG1-CG2 4.36Å; I121-I383 HydrophobicContact CG2-CD1 4.09Å; I121-I383 HydrophobicContact CG2-CG2 4.2Å; L275-I383 HydrophobicContact CD1-CD1 3.75Å; Q294-I383 HydrophobicContact CG-CD1 3.52Å; Q294-I383 HydrophobicContact CG-CG1 3.81Å; Q294-I383 HydrophobicContact CG-CG2 4.23Å; Y298-I383 HydrophobicContact CD2-CD1 3.88Å; G379-I383 WeakPolarHBondContact O-CG1 3.27Å; G379-I383 PolarHBondContact O-N 2.82Å; L380-I383 PolarHBondContact O-N 3.24Å; D381-I383 VanDerWaalsContact C-N 3.34Å; D381-I383 PolarHBondContact O-N 2.88Å; I383-N385 PolarHBondContact O-N 2.82Å; I383-K386 PolarHBondContact O-N 2.91Å |
| 384 | K | 98.4 | Very high | 96.2 | Very high | 92 Ų | 92 | 41.4 Ų | 41.4 | 40% | 0.4 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.4 | -41.1 | -177 | -73.3 | 178.3 | -178.2 | -167.9 | 0 | 112.3 | Y115 T119 I121 L380 D381 | Y115-K384 PolarHBondContact OH-NZ 3.22Å; T119-K384 VanDerWaalsContact CG2-NZ 3.29Å; I121-K384 HydrophobicContact CD1-CG 4.05Å; L380-K384 WeakPolarHBondContact O-CG 3.4Å; L380-K384 PolarHBondContact O-N 3.04Å; D381-K384 PolarHBondContact O-N 2.9Å |
| 385 | N | 98.5 | Very high | 95.2 | Very high | 94 Ų | 94 | 47.3 Ų | 47.3 | 50% | 0.503 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 3.4 | -178.4 | -63.8 | -48 | 0 | 0 | 0 | 113.3 | D381 I383 I387 | D381-N385 WeakPolarHBondContact O-CB 3.32Å; D381-N385 PolarHBondContact O-N 3.38Å; D381-N385 PolarHBondContact O-ND2 2.83Å; D381-N385 PolarHBondContact OD1-ND2 2.87Å; D381-N385 PolarHBondContact OD2-ND2 2.7Å; I383-N385 PolarHBondContact O-N 2.82Å; N385-I387 HydrophobicContact CB-CD1 3.9Å; N385-I387 HydrophobicContact CB-CG1 3.81Å; N385-I387 PolarHBondContact O-N 2.8Å |
| 386 | K | 98.4 | Very high | 94.2 | Very high | 129 Ų | 129 | 50.6 Ų | 50.6 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 42.3 | -179.4 | -62.8 | 179.2 | 171.3 | -71.2 | 0 | 112.8 | Y297 G382 I383 H388 | Y297-K386 VanDerWaalsContact CD1-C 3.4Å; Y297-K386 HydrophobicContact CD1-CB 4.26Å; Y297-K386 HydrophobicContact CD2-CG 4.41Å; Y297-K386 HydrophobicContact CE1-CB 3.79Å; Y297-K386 HydrophobicContact CE1-CG 4.49Å; Y297-K386 WeakPolarHBondContact CE1-O 3.44Å; Y297-K386 HydrophobicContact CE2-CB 4.06Å; Y297-K386 HydrophobicContact CE2-CG 3.87Å; G382-K386 WeakPolarHBondContact O-CA 3.33Å; G382-K386 PolarHBondContact O-N 3.04Å; I383-K386 PolarHBondContact O-N 2.91Å; K386-H388 PolarHBondContact O-N 2.8Å |
| 387 | I | 98.5 | Very high | 93.1 | Very high | 36 Ų | 36 | 50.8 Ų | 50.8 | 19% | 0.185 | 26% | 0.257 | C | S | . | . | trans | -71.6 | 110.8 | -175.8 | -62.5 | 163.5 | 0 | 0 | 0 | 108.8 | Y297 K304 D381 G382 N385 | Y297-I387 WeakPolarHBondContact CA-O 3.3Å; K304-I387 HydrophobicContact CD-CD1 3.4Å; K304-I387 HydrophobicContact CD-CG1 4.47Å; D381-I387 WeakPolarHBondContact OD2-CD1 3.28Å; G382-I387 PolarHBondContact O-N 3.01Å; N385-I387 HydrophobicContact CB-CD1 3.9Å; N385-I387 HydrophobicContact CB-CG1 3.81Å; N385-I387 PolarHBondContact O-N 2.8Å | ||
| 388 | H | 97.1 | Very high | 91.7 | Very high | 108 Ų | 108 | 54.7 Ų | 54.7 | 50% | 0.5 | 27% | 0.272 | S | S | . | . | trans | -75.8 | 134.5 | 178.5 | -162.3 | -85.1 | 0 | 0 | 0 | 110.6 | K386 G390 | K386-H388 PolarHBondContact O-N 2.8Å; H388-G390 PolarHBondContact CE1-O 2.96Å; H388-G390 VanDerWaalsContact CE1-O 3.24Å; H388-G390 PolarHBondContact ND1-N 3.21Å; H388-G390 PolarHBondContact ND1-O 3.35Å; H388-G390 PolarHBondContact O-N 3.44Å; H388-G390 VanDerWaalsContact O-N 3.11Å | ||
| 389 | P | 95.9 | Very high | 90.6 | Very high | 17 Ų | 17 | 60.7 Ų | 60.7 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | trans | -77.3 | 8.3 | -176.2 | 32.4 | -36.8 | 0 | 0 | 0 | 114.5 | L296 I299 I303 Y335 | L296-P389 HydrophobicContact CB-CG 4.11Å; L296-P389 HydrophobicContact CD2-CG 4.21Å; L296-P389 VanDerWaalsContact O-CD 3.3Å; L296-P389 WeakPolarHBondContact O-CD 3.24Å; L296-P389 WeakPolarHBondContact O-CG 3.29Å; I299-P389 HydrophobicContact CB-CB 4.08Å; I299-P389 HydrophobicContact CB-CG 4.44Å; I299-P389 HydrophobicContact CG2-CB 3.59Å; I299-P389 HydrophobicContact CG2-CG 4.3Å; I303-P389 HydrophobicContact CD1-CB 4.16Å; Y335-P389 HydrophobicContact CD1-CB 3.97Å; Y335-P389 HydrophobicContact CD1-CG 4.29Å; Y335-P389 HydrophobicContact CE1-CB 3.73Å; Y335-P389 HydrophobicContact CE1-CG 3.68Å | ||
| 390 | G | 92.8 | Very high | 89.6 | Confident | 35 Ų | 35 | 61.8 Ų | 61.8 | 36% | 0.361 | 31% | 0.31 | S | S | . | . | trans | 72.8 | -164.4 | -164.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y335 H388 | Y335-G390 PolarHBondContact OH-O 3Å; Y335-G390 VanDerWaalsContact OH-O 3.06Å; H388-G390 PolarHBondContact CE1-O 2.96Å; H388-G390 VanDerWaalsContact CE1-O 3.24Å; H388-G390 PolarHBondContact ND1-N 3.21Å; H388-G390 PolarHBondContact ND1-O 3.35Å; H388-G390 PolarHBondContact O-N 3.44Å; H388-G390 VanDerWaalsContact O-N 3.11Å | ||
| 391 | E | 92 | Very high | 88.7 | Confident | 148 Ų | 148 | 64.9 Ų | 64.9 | 69% | 0.692 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -83.3 | 151.9 | 177 | -65.8 | -61.3 | 135.4 | 0 | 0 | 111.6 | ||
| 392 | A | 90.8 | Very high | 87.9 | Confident | 22 Ų | 22 | 68 Ų | 68 | 18% | 0.182 | 35% | 0.352 | C | S | . | . | trans | -67.8 | 140.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y288 Y335 | Y288-A392 HydrophobicContact CD1-CB 4.11Å; Y288-A392 HydrophobicContact CD2-CB 3.86Å; Y288-A392 HydrophobicContact CE1-CB 3.85Å; Y288-A392 HydrophobicContact CE2-CB 3.57Å; Y288-A392 HydrophobicContact CG-CB 4.13Å; Y335-A392 HydrophobicContact CD2-CB 4.25Å; Y335-A392 HydrophobicContact CE1-CB 4.48Å; Y335-A392 HydrophobicContact CE2-CB 3.69Å; Y335-A392 WeakPolarHBondContact O-CA 3.43Å; Y335-A392 PolarHBondContact OH-N 3.44Å | ||
| 393 | M | 85.1 | Confident | 87.1 | Confident | 67 Ų | 67 | 74.1 Ų | 74.1 | 33% | 0.33 | 38% | 0.381 | S | S | . | . | trans | -106.2 | 84.2 | -176.1 | -66.5 | -64.6 | 164.8 | 0 | 0 | 112.5 | A334 Y335 S336 N339 L397 | A334-M393 HydrophobicContact CB-CB 3.88Å; A334-M393 HydrophobicContact CB-CG 3.74Å; Y335-M393 PolarHBondContact O-N 2.66Å; S336-M393 WeakPolarHBondContact CB-O 3.46Å; N339-M393 PolarHBondContact ND2-O 2.9Å; M393-L397 HydrophobicContact CB-CD1 4.49Å; M393-L397 HydrophobicContact CB-CD2 3.98Å; M393-L397 HydrophobicContact CG-CD2 4.46Å | ||
| 394 | D | 83.5 | Confident | 86.2 | Confident | 68 Ų | 68 | 77 Ų | 77 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | trans | -85.7 | -3.7 | -178.3 | -75.1 | -28.1 | 0 | 0 | 0 | 114.9 | Y288 S336 | Y288-D394 PolarHBondContact OH-OD1 3.48Å; Y288-D394 PolarHBondContact OH-OD2 3.29Å; S336-D394 PolarHBondContact OG-OD1 3Å | ||
| 395 | K | 78.6 | Confident | 85.3 | Confident | 124 Ų | 124 | 73.5 Ų | 73.5 | 54% | 0.539 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -74.2 | 148.2 | 169.3 | -63.9 | -178.1 | -176.7 | 178.1 | 0 | 110 | N339 L397 L400 E404 | N339-K395 PolarHBondContact ND2-O 2.87Å; K395-L397 PolarHBondContact O-N 3.46Å; K395-L397 VanDerWaalsContact O-N 3.15Å; K395-L400 HydrophobicContact CB-CD2 4.46Å; K395-L400 HydrophobicContact CD-CD2 4Å; K395-E404 IonicContact NZ-OE2 3.47Å; K395-E404 PolarHBondContact NZ-OE2 3.44Å |
| 396 | N | 77.9 | Confident | 84.4 | Confident | 70 Ų | 70 | 76.1 Ų | 76.1 | 37% | 0.374 | 39% | 0.389 | S | S | . | . | trans | -62.1 | 115.2 | 170.3 | -173.6 | 6 | 0 | 0 | 0 | 109.8 | Y398 D399 | N396-Y398 VanDerWaalsContact C-N 3.29Å; N396-Y398 PolarHBondContact O-N 2.96Å; N396-Y398 PolarHBondContact OD1-N 3.25Å; N396-D399 PolarHBondContact ND2-OD2 2.88Å; N396-D399 PolarHBondContact O-N 3.04Å | ||
| 397 | L | 74.7 | Confident | 83.6 | Confident | 4 Ų | 4 | 77.9 Ų | 77.9 | 2% | 0.021 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -77.4 | -17.8 | -173.1 | -58.5 | 166 | 0 | 0 | 0 | 112.5 | M332 A334 N339 S341 A342 M393 K395 D399 L400 I408 | M332-L397 HydrophobicContact CB-CB 4.45Å; M332-L397 HydrophobicContact CB-CD1 3.64Å; M332-L397 HydrophobicContact CG-CB 3.99Å; M332-L397 HydrophobicContact CG-CD1 4.13Å; A334-L397 HydrophobicContact CB-CD1 4.15Å; N339-L397 VanDerWaalsContact ND2-CG 3.35Å; N339-L397 WeakPolarHBondContact ND2-CG 3.4Å; S341-L397 WeakPolarHBondContact OG-CB 3.45Å; S341-L397 WeakPolarHBondContact OG-CG 3.43Å; S341-L397 PolarHBondContact OG-N 3.39Å; A342-L397 HydrophobicContact CB-CD1 4.19Å; M393-L397 HydrophobicContact CB-CD1 4.49Å; M393-L397 HydrophobicContact CB-CD2 3.98Å; M393-L397 HydrophobicContact CG-CD2 4.46Å; K395-L397 PolarHBondContact O-N 3.46Å; K395-L397 VanDerWaalsContact O-N 3.15Å; L397-D399 VanDerWaalsContact C-N 3.29Å; L397-L400 HydrophobicContact CB-CD1 4.3Å; L397-L400 HydrophobicContact CD2-CD1 3.39Å; L397-L400 HydrophobicContact CD2-CG 4.28Å; L397-L400 HydrophobicContact CG-CD1 4.45Å; L397-I408 HydrophobicContact CD2-CD1 3.59Å |
| 398 | Y | 70.5 | Confident | 82.9 | Confident | 84 Ų | 84 | 77 Ų | 77 | 33% | 0.329 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -71.1 | -26.8 | 175.3 | -59.7 | -48.7 | 0 | 0 | 0 | 112.7 | E328 A329 N396 | E328-Y398 VanDerWaalsContact CA-OH 3.3Å; E328-Y398 WeakPolarHBondContact CA-OH 3.48Å; A329-Y398 PolarHBondContact N-OH 2.98Å; A329-Y398 PolarHBondContact O-OH 3Å; N396-Y398 VanDerWaalsContact C-N 3.29Å; N396-Y398 PolarHBondContact O-N 2.96Å; N396-Y398 PolarHBondContact OD1-N 3.25Å |
| 399 | D | 76.5 | Confident | 82.7 | Confident | 125 Ų | 125 | 75.5 Ų | 75.5 | 67% | 0.668 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -100.6 | 8.8 | -176.9 | -58.5 | -33.3 | 0 | 0 | 0 | 112.5 | N396 L397 | N396-D399 PolarHBondContact ND2-OD2 2.88Å; N396-D399 PolarHBondContact O-N 3.04Å; L397-D399 VanDerWaalsContact C-N 3.29Å |
| 400 | L | 76.8 | Confident | 82.6 | Confident | 23 Ų | 23 | 78.9 Ų | 78.9 | 12% | 0.12 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -65.7 | 138.5 | 178.5 | -77.5 | 178.5 | 0 | 0 | 0 | 110.4 | K395 L397 E404 A405 I408 | K395-L400 HydrophobicContact CB-CD2 4.46Å; K395-L400 HydrophobicContact CD-CD2 4Å; L397-L400 HydrophobicContact CB-CD1 4.3Å; L397-L400 HydrophobicContact CD2-CD1 3.39Å; L397-L400 HydrophobicContact CD2-CG 4.28Å; L397-L400 HydrophobicContact CG-CD1 4.45Å; L400-E404 HydrophobicContact CB-CB 4.45Å; L400-E404 HydrophobicContact CD2-CB 4.32Å; L400-A405 HydrophobicContact CB-CB 4.29Å; L400-I408 HydrophobicContact CD1-CD1 3.46Å; L400-I408 VanDerWaalsContact CD1-CD1 3.46Å |
| 401 | P | 81.1 | Confident | 82.7 | Confident | 66 Ų | 66 | 77.6 Ų | 77.6 | 43% | 0.429 | 39% | 0.394 | S | S | . | . | trans | -51.7 | 140.1 | 167 | -24.6 | 34 | 0 | 0 | 0 | 110.1 | E403 E404 A405 | P401-E403 PolarHBondContact O-N 2.88Å; P401-E404 PolarHBondContact O-N 3.41Å; P401-A405 PolarHBondContact O-N 3.35Å | ||
| 402 | P | 80.9 | Confident | 82.9 | Confident | 97 Ų | 97 | 70.6 Ų | 70.6 | 63% | 0.63 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -53.1 | -30.5 | -177 | -30.4 | 35.5 | 0 | 0 | 0 | 114.7 | A405 K406 | P402-A405 PolarHBondContact O-N 2.98Å; P402-K406 WeakPolarHBondContact O-CG 3.28Å; P402-K406 PolarHBondContact O-N 2.95Å; P402-K406 VanDerWaalsContact O-N 3.14Å |
| 403 | E | 82.4 | Confident | 83.2 | Confident | 128 Ų | 128 | 72.2 Ų | 72.2 | 60% | 0.598 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -70.5 | -41.2 | 176.5 | -56.1 | -56.8 | 165.2 | 0 | 0 | 112.7 | P401 A405 K406 | P401-E403 PolarHBondContact O-N 2.88Å; E403-A405 VanDerWaalsContact C-N 3.33Å; E403-K406 IonicContact OE1-NZ 2.7Å; E403-K406 PolarHBondContact OE1-NZ 2.73Å; E403-K406 IonicContact OE2-NZ 3.63Å; E403-K406 PolarHBondContact OE2-NZ 2.82Å |
| 404 | E | 80.6 | Confident | 83.8 | Confident | 81 Ų | 81 | 71.1 Ų | 71.1 | 38% | 0.379 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -67.2 | -36.4 | 172.9 | -74.6 | -177 | -129.3 | 0 | 0 | 110.8 | K395 L400 P401 K406 E407 | K395-E404 IonicContact NZ-OE2 3.47Å; K395-E404 PolarHBondContact NZ-OE2 3.44Å; L400-E404 HydrophobicContact CB-CB 4.45Å; L400-E404 HydrophobicContact CD2-CB 4.32Å; P401-E404 PolarHBondContact O-N 3.41Å; E404-K406 VanDerWaalsContact C-N 3.35Å; E404-K406 PolarHBondContact O-N 3.15Å; E404-E407 PolarHBondContact O-N 3.44Å |
| 405 | A | 78.1 | Confident | 84.5 | Confident | 18 Ų | 18 | 68 Ų | 68 | 15% | 0.149 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.3 | -33.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | M332 L400 P401 P402 E403 E407 I408 | M332-A405 HydrophobicContact CE-CB 4.39Å; L400-A405 HydrophobicContact CB-CB 4.29Å; P401-A405 PolarHBondContact O-N 3.35Å; P402-A405 PolarHBondContact O-N 2.98Å; E403-A405 VanDerWaalsContact C-N 3.33Å; A405-E407 PolarHBondContact O-N 2.58Å; A405-I408 PolarHBondContact O-N 2.72Å |
| 406 | K | 79.8 | Confident | 85.4 | Confident | 149 Ų | 149 | 65.6 Ų | 65.6 | 65% | 0.648 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.5 | -24 | 177.1 | -77 | 172.2 | -165.6 | 163.6 | 0 | 113.5 | P402 E403 E404 I408 | P402-K406 WeakPolarHBondContact O-CG 3.28Å; P402-K406 PolarHBondContact O-N 2.95Å; P402-K406 VanDerWaalsContact O-N 3.14Å; E403-K406 IonicContact OE1-NZ 2.7Å; E403-K406 PolarHBondContact OE1-NZ 2.73Å; E403-K406 IonicContact OE2-NZ 3.63Å; E403-K406 PolarHBondContact OE2-NZ 2.82Å; E404-K406 VanDerWaalsContact C-N 3.35Å; E404-K406 PolarHBondContact O-N 3.15Å; K406-I408 VanDerWaalsContact C-N 3.29Å |
| 407 | E | 81.4 | Confident | 86.4 | Confident | 165 Ų | 165 | 65.1 Ų | 65.1 | 77% | 0.771 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -14 | -179.8 | -63.2 | -175.8 | 169.6 | 0 | 0 | 112.5 | E404 A405 | E404-E407 PolarHBondContact O-N 3.44Å; A405-E407 PolarHBondContact O-N 2.58Å |
| 408 | I | 85.5 | Confident | 87.6 | Confident | 19 Ų | 19 | 64.9 Ų | 64.9 | 10% | 0.097 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -93.1 | 122.4 | -178.7 | -56.5 | 178.8 | 0 | 0 | 0 | 108.8 | M332 A334 L397 L400 A405 K406 | M332-I408 HydrophobicContact CB-CG2 4.24Å; M332-I408 HydrophobicContact SD-CG2 4.47Å; A334-I408 HydrophobicContact CB-CG2 4.39Å; L397-I408 HydrophobicContact CD2-CD1 3.59Å; L400-I408 HydrophobicContact CD1-CD1 3.46Å; L400-I408 VanDerWaalsContact CD1-CD1 3.46Å; A405-I408 PolarHBondContact O-N 2.72Å; K406-I408 VanDerWaalsContact C-N 3.29Å |
| 409 | P | 91.4 | Very high | 88.9 | Confident | 75 Ų | 75 | 60.9 Ų | 60.9 | 49% | 0.487 | 33% | 0.332 | S | S | . | . | trans | -57.3 | 147.8 | 175.8 | -21.2 | 32 | 0 | 0 | 0 | 111.1 | L333 | L333-P409 WeakPolarHBondContact CA-O 3.4Å; L333-P409 HydrophobicContact CB-CB 4.08Å; L333-P409 WeakPolarHBondContact CB-O 3.39Å; L333-P409 HydrophobicContact CD1-CB 3.94Å; L333-P409 PolarHBondContact N-O 2.97Å | ||
| 410 | Q | 93.3 | Very high | 90 | Very high | 89 Ų | 89 | 58 Ų | 58 | 42% | 0.416 | 32% | 0.316 | S | S | . | . | B | Isolated β-bridge | trans | -123.2 | 153.6 | -179.8 | -66.6 | -177 | -29.2 | 0 | 0 | 110.8 | K307 V331 M332 L333 | K307-Q410 WeakPolarHBondContact CE-O 3.17Å; K307-Q410 PolarHBondContact NZ-O 2.98Å; K307-Q410 VanDerWaalsContact NZ-O 3.11Å; V331-Q410 WeakPolarHBondContact O-CA 3.31Å; M332-Q410 HydrophobicContact SD-CG 3.98Å; M332-Q410 PolarHBondContact SD-NE2 3.1Å; L333-Q410 WeakPolarHBondContact CD1-O 3.41Å |
| 411 | V | 96 | Very high | 91 | Very high | 8 Ų | 8 | 60 Ų | 60 | 5% | 0.048 | 33% | 0.325 | C | S | . | . | trans | -54.5 | 166.2 | 167.5 | -64.9 | 0 | 0 | 0 | 0 | 111 | K307 N310 L323 V331 L333 F361 | K307-V411 PolarHBondContact NZ-O 2.98Å; N310-V411 WeakPolarHBondContact OD1-CA 3.25Å; N310-V411 WeakPolarHBondContact OD1-CB 3.44Å; L323-V411 HydrophobicContact CD1-CG2 4.15Å; V331-V411 HydrophobicContact CB-CG2 4.03Å; V331-V411 HydrophobicContact CG1-CG2 4.2Å; V331-V411 PolarHBondContact O-N 3.12Å; V331-V411 VanDerWaalsContact O-N 3.15Å; L333-V411 HydrophobicContact CD2-CG1 3.67Å; L333-V411 HydrophobicContact CG-CG1 4.32Å; F361-V411 HydrophobicContact CB-CG1 4.05Å; F361-V411 HydrophobicContact CD1-CG1 4.15Å; F361-V411 HydrophobicContact CG-CG1 4.14Å | ||
| 412 | A | 97 | Very high | 91.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -59.9 | 139.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | K307 N310 Y320 E417 A418 | K307-A412 HydrophobicContact CB-CB 4.4Å; K307-A412 HydrophobicContact CG-CB 4.41Å; N310-A412 HydrophobicContact CB-CB 4.08Å; N310-A412 PolarHBondContact OD1-N 3.08Å; Y320-A412 VanDerWaalsContact CD1-O 3.29Å; Y320-A412 WeakPolarHBondContact CD1-O 3.42Å; Y320-A412 HydrophobicContact CE1-CB 3.96Å; Y320-A412 VanDerWaalsContact CE1-O 3.25Å; Y320-A412 WeakPolarHBondContact CE1-O 3.41Å; A412-E417 HydrophobicContact CB-CB 4.33Å; A412-E417 HydrophobicContact CB-CG 4.18Å; A412-A418 HydrophobicContact CB-CB 3.68Å | ||
| 413 | G | 95.4 | Very high | 92.7 | Very high | 56 Ų | 56 | 56 Ų | 56 | 58% | 0.577 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -89.3 | -10.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E417 | G413-E417 PolarHBondContact N-OE2 2.58Š|
| 414 | S | 98 | Very high | 93.5 | Very high | 44 Ų | 44 | 56.3 Ų | 56.3 | 31% | 0.308 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -149.5 | 162.5 | 176.9 | 66.4 | 0 | 0 | 0 | 0 | 111.7 | Y320 E416 E417 A418 | Y320-S414 WeakPolarHBondContact CE1-O 3.32Å; S414-E416 VanDerWaalsContact C-N 3.34Å; S414-E417 PolarHBondContact O-N 3.21Å; S414-E417 VanDerWaalsContact OG-CB 3.31Å; S414-E417 WeakPolarHBondContact OG-CB 3.43Å; S414-E417 PolarHBondContact OG-N 3.3Å; S414-E417 VanDerWaalsContact OG-N 3.09Å; S414-A418 PolarHBondContact O-N 2.89Å; S414-A418 VanDerWaalsContact O-N 3.1Å |
| 415 | L | 98.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 174.8 | -179.7 | 59.6 | 0 | 0 | 0 | 110.6 | T317 Y320 E417 A418 L419 D451 | T317-L415 HydrophobicContact CG2-CB 4.26Å; T317-L415 HydrophobicContact CG2-CD2 3.84Å; Y320-L415 HydrophobicContact CD2-CB 3.95Å; Y320-L415 VanDerWaalsContact CD2-N 3.28Å; Y320-L415 HydrophobicContact CE2-CB 3.58Å; Y320-L415 HydrophobicContact CE2-CD1 4.05Å; Y320-L415 HydrophobicContact CE2-CG 4.42Å; L415-E417 PolarHBondContact O-N 3.26Å; L415-A418 PolarHBondContact O-N 3.37Å; L415-L419 HydrophobicContact CD1-CD1 4.3Å; L415-L419 HydrophobicContact CD1-CD2 4.44Å; L415-L419 HydrophobicContact CD1-CG 4.1Å; L415-L419 HydrophobicContact CG-CD1 3.99Å; L415-L419 HydrophobicContact CG-CG 4.25Å; L415-L419 VanDerWaalsContact O-CG 3.27Å; L415-L419 WeakPolarHBondContact O-CG 3.44Å; L415-L419 PolarHBondContact O-N 2.86Å; L415-D451 HydrophobicContact CD2-CB 4.12Å |
| 416 | E | 98.7 | Very high | 95.3 | Very high | 75 Ų | 75 | 54.6 Ų | 54.6 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.5 | -47.4 | 175.2 | 166.1 | 157.6 | -136.7 | 0 | 0 | 112.5 | S414 L419 N420 R448 | S414-E416 VanDerWaalsContact C-N 3.34Å; E416-L419 PolarHBondContact O-N 3.09Å; E416-N420 PolarHBondContact O-N 3Å; E416-N420 PolarHBondContact O-ND2 3.42Å; E416-N420 VanDerWaalsContact O-ND2 3.15Å; E416-R448 IonicContact OE1-CZ 3.29Å; E416-R448 IonicContact OE1-NH1 3.93Å; E416-R448 PolarHBondContact OE1-NH1 2.98Å |
| 417 | E | 98.6 | Very high | 96.2 | Very high | 59 Ų | 59 | 53.2 Ų | 53.2 | 28% | 0.276 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 176 | -177.3 | -173.2 | 168 | 0 | 0 | 111.1 | K307 A412 G413 S414 L415 L419 N420 E421 | K307-E417 IonicContact NZ-OE1 2.71Å; K307-E417 PolarHBondContact NZ-OE1 3.39Å; A412-E417 HydrophobicContact CB-CB 4.33Å; A412-E417 HydrophobicContact CB-CG 4.18Å; G413-E417 PolarHBondContact N-OE2 2.58Å; S414-E417 PolarHBondContact O-N 3.21Å; S414-E417 VanDerWaalsContact OG-CB 3.31Å; S414-E417 WeakPolarHBondContact OG-CB 3.43Å; S414-E417 PolarHBondContact OG-N 3.3Å; S414-E417 VanDerWaalsContact OG-N 3.09Å; L415-E417 PolarHBondContact O-N 3.26Å; E417-L419 VanDerWaalsContact C-N 3.31Å; E417-L419 PolarHBondContact O-N 3.47Å; E417-N420 PolarHBondContact O-N 3.39Å; E417-E421 HydrophobicContact CG-CG 4.37Å; E417-E421 WeakPolarHBondContact O-CB 3.48Å; E417-E421 VanDerWaalsContact O-CG 3.24Å; E417-E421 WeakPolarHBondContact O-CG 3.38Å; E417-E421 PolarHBondContact O-N 3.14Å |
| 418 | A | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N310 A311 Y320 A412 S414 L415 E421 L422 | N310-A418 HydrophobicContact CB-CB 3.9Å; A311-A418 HydrophobicContact CB-CB 4.23Å; Y320-A418 WeakPolarHBondContact OH-CB 3.4Å; A412-A418 HydrophobicContact CB-CB 3.68Å; S414-A418 PolarHBondContact O-N 2.89Å; S414-A418 VanDerWaalsContact O-N 3.1Å; L415-A418 PolarHBondContact O-N 3.37Å; A418-E421 PolarHBondContact O-N 2.88Å; A418-L422 WeakPolarHBondContact O-CB 3.36Å; A418-L422 PolarHBondContact O-N 2.65Å |
| 419 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67.1 | -39.4 | 176.9 | -66.9 | 174.9 | 0 | 0 | 0 | 112.3 | A311 L415 E416 E417 L422 D423 Y443 I444 R447 R448 | A311-L419 HydrophobicContact CB-CD2 4.14Å; L415-L419 HydrophobicContact CD1-CD1 4.3Å; L415-L419 HydrophobicContact CD1-CD2 4.44Å; L415-L419 HydrophobicContact CD1-CG 4.1Å; L415-L419 HydrophobicContact CG-CD1 3.99Å; L415-L419 HydrophobicContact CG-CG 4.25Å; L415-L419 VanDerWaalsContact O-CG 3.27Å; L415-L419 WeakPolarHBondContact O-CG 3.44Å; L415-L419 PolarHBondContact O-N 2.86Å; E416-L419 PolarHBondContact O-N 3.09Å; E417-L419 VanDerWaalsContact C-N 3.31Å; E417-L419 PolarHBondContact O-N 3.47Å; L419-L422 PolarHBondContact O-N 3.24Å; L419-D423 PolarHBondContact O-N 2.96Å; L419-Y443 HydrophobicContact CD2-CD1 4.45Å; L419-Y443 HydrophobicContact CD2-CE1 4.15Å; L419-I444 HydrophobicContact CD2-CG1 4.34Å; L419-R447 HydrophobicContact CD1-CB 3.66Å; L419-R447 HydrophobicContact CD2-CB 3.72Å; L419-R447 HydrophobicContact CD2-CG 4.19Å; L419-R447 HydrophobicContact CG-CB 4.3Å; L419-R448 HydrophobicContact CD1-CG 4.11Å |
| 420 | N | 98.8 | Very high | 98 | Very high | 63 Ų | 63 | 43.6 Ų | 43.6 | 34% | 0.337 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.7 | -42.4 | 173.2 | -75.1 | -37.7 | 0 | 0 | 0 | 111.4 | E416 E417 D423 L424 R448 | E416-N420 PolarHBondContact O-N 3Å; E416-N420 PolarHBondContact O-ND2 3.42Å; E416-N420 VanDerWaalsContact O-ND2 3.15Å; E417-N420 PolarHBondContact O-N 3.39Å; N420-D423 WeakPolarHBondContact O-CB 3.32Å; N420-D423 PolarHBondContact O-N 3.16Å; N420-L424 WeakPolarHBondContact O-CG 3.36Å; N420-L424 PolarHBondContact O-N 3.23Å; N420-R448 VanDerWaalsContact CG-NH2 3.3Å; N420-R448 PolarHBondContact OD1-NH2 2.76Å |
| 421 | E | 98.7 | Very high | 98.3 | Very high | 67 Ų | 67 | 40.8 Ų | 40.8 | 31% | 0.313 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.3 | -35.6 | 178.9 | -68.2 | -74.3 | 166.4 | 0 | 0 | 111.3 | K307 E417 A418 D423 L424 D425 | K307-E421 HydrophobicContact CB-CB 3.59Å; K307-E421 HydrophobicContact CB-CG 3.64Å; K307-E421 HydrophobicContact CD-CG 3.88Å; K307-E421 HydrophobicContact CG-CG 4.41Å; E417-E421 HydrophobicContact CG-CG 4.37Å; E417-E421 WeakPolarHBondContact O-CB 3.48Å; E417-E421 VanDerWaalsContact O-CG 3.24Å; E417-E421 WeakPolarHBondContact O-CG 3.38Å; E417-E421 PolarHBondContact O-N 3.14Å; A418-E421 PolarHBondContact O-N 2.88Å; E421-D423 VanDerWaalsContact C-N 3.35Å; E421-L424 PolarHBondContact O-N 3.04Å; E421-D425 VanDerWaalsContact O-CB 3.3Å; E421-D425 WeakPolarHBondContact O-CB 3.48Å; E421-D425 PolarHBondContact O-N 3.19Å |
| 422 | L | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62 | -41.7 | 169.4 | 175.8 | 63.9 | 0 | 0 | 0 | 111.9 | A308 A311 A418 L419 R426 L429 I440 Y443 I444 | A308-L422 HydrophobicContact CB-CB 4.46Å; A308-L422 HydrophobicContact CB-CD1 4.49Å; A311-L422 HydrophobicContact CB-CB 3.71Å; A311-L422 HydrophobicContact CB-CD2 3.62Å; A311-L422 HydrophobicContact CB-CG 4.21Å; A418-L422 WeakPolarHBondContact O-CB 3.36Å; A418-L422 PolarHBondContact O-N 2.65Å; L419-L422 PolarHBondContact O-N 3.24Å; L422-R426 WeakPolarHBondContact O-CB 3.46Å; L422-R426 PolarHBondContact O-N 3.47Å; L422-L429 HydrophobicContact CD1-CD1 3.37Å; L422-I440 HydrophobicContact CD1-CG2 4.37Å; L422-I440 HydrophobicContact CD2-CG2 4.25Å; L422-I440 HydrophobicContact CG-CG2 4.04Å; L422-Y443 HydrophobicContact CD2-CD1 4.03Å; L422-Y443 HydrophobicContact CD2-CE1 4.43Å; L422-I444 HydrophobicContact CD2-CD1 4.31Å; L422-I444 HydrophobicContact CD2-CG1 3.97Å; L422-I444 HydrophobicContact CG-CD1 4.32Å; L422-I444 HydrophobicContact CG-CG1 4.5Å |
| 423 | D | 98.7 | Very high | 98.4 | Very high | 75 Ų | 75 | 45.3 Ų | 45.3 | 40% | 0.401 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 176.5 | -175.2 | 6.2 | 0 | 0 | 0 | 111.1 | L419 N420 E421 R426 I444 | L419-D423 PolarHBondContact O-N 2.96Å; N420-D423 WeakPolarHBondContact O-CB 3.32Å; N420-D423 PolarHBondContact O-N 3.16Å; E421-D423 VanDerWaalsContact C-N 3.35Å; D423-R426 WeakPolarHBondContact O-CG 3.26Å; D423-R426 PolarHBondContact O-NE 3.24Å; D423-R426 IonicContact OD1-CZ 2.96Å; D423-R426 IonicContact OD1-NE 2.85Å; D423-R426 IonicContact OD1-NH2 2.78Å; D423-R426 PolarHBondContact OD1-NH2 2.93Å; D423-I444 HydrophobicContact CB-CD1 3.97Å |
| 424 | L | 98.6 | Very high | 98.6 | Very high | 135 Ų | 135 | 42.6 Ų | 42.6 | 71% | 0.707 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -75.9 | -39.5 | -176.1 | -64 | 173.5 | 0 | 0 | 0 | 113.7 | N420 E421 | N420-L424 WeakPolarHBondContact O-CG 3.36Å; N420-L424 PolarHBondContact O-N 3.23Å; E421-L424 PolarHBondContact O-N 3.04Å |
| 425 | D | 98.5 | Very high | 98.6 | Very high | 43 Ų | 43 | 40.9 Ų | 40.9 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 37.7 | -173.4 | -171.9 | 32.7 | 0 | 0 | 0 | 112.1 | H305 A308 E421 F428 | H305-D425 IonicContact CE1-OD1 3.14Å; H305-D425 PolarHBondContact CE1-OD1 2.74Å; H305-D425 IonicContact CE1-OD2 3.44Å; H305-D425 IonicContact CG-OD2 3.51Å; H305-D425 VanDerWaalsContact ND1-CG 3.34Å; H305-D425 IonicContact ND1-OD1 3.82Å; H305-D425 PolarHBondContact ND1-OD1 3.27Å; H305-D425 IonicContact ND1-OD2 3.48Å; H305-D425 PolarHBondContact ND1-OD2 3Å; A308-D425 HydrophobicContact CB-CB 4.21Å; E421-D425 VanDerWaalsContact O-CB 3.3Å; E421-D425 WeakPolarHBondContact O-CB 3.48Å; E421-D425 PolarHBondContact O-N 3.19Å; D425-F428 WeakPolarHBondContact O-CD1 3.37Å; D425-F428 WeakPolarHBondContact O-CE1 3.5Å |
| 426 | R | 98.5 | Very high | 98.6 | Very high | 21 Ų | 21 | 42.2 Ų | 42.2 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | trans | -76.5 | -16.7 | -178.7 | 58.1 | 177.7 | 72.9 | -160.6 | -3.5 | 115.5 | L422 D423 F428 L429 K430 D437 I440 D441 | L422-R426 WeakPolarHBondContact O-CB 3.46Å; L422-R426 PolarHBondContact O-N 3.47Å; D423-R426 WeakPolarHBondContact O-CG 3.26Å; D423-R426 PolarHBondContact O-NE 3.24Å; D423-R426 IonicContact OD1-CZ 2.96Å; D423-R426 IonicContact OD1-NE 2.85Å; D423-R426 IonicContact OD1-NH2 2.78Å; D423-R426 PolarHBondContact OD1-NH2 2.93Å; R426-F428 VanDerWaalsContact C-N 3.3Å; R426-F428 PolarHBondContact O-N 2.98Å; R426-L429 WeakPolarHBondContact O-CB 3.15Å; R426-L429 PolarHBondContact O-N 2.92Å; R426-K430 HydrophobicContact CB-CD 4.27Å; R426-K430 HydrophobicContact CG-CD 3.96Å; R426-K430 PolarHBondContact O-N 3.12Å; R426-D437 WeakPolarHBondContact CD-OD1 3.4Å; R426-D437 IonicContact NH1-OD1 2.92Å; R426-D437 PolarHBondContact NH1-OD1 3.05Å; R426-I440 HydrophobicContact CB-CD1 3.79Å; R426-D441 IonicContact CZ-OD1 3.64Å; R426-D441 VanDerWaalsContact CZ-OD1 3.26Å; R426-D441 IonicContact NH1-OD1 3.64Å; R426-D441 PolarHBondContact NH1-OD1 3.38Å; R426-D441 IonicContact NH1-OD2 3.08Å; R426-D441 IonicContact NH2-OD1 3.26Å; R426-D441 PolarHBondContact NH2-OD1 3.49Å | ||
| 427 | E | 98.7 | Very high | 98.6 | Very high | 120 Ų | 120 | 41.7 Ų | 41.7 | 56% | 0.561 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -61.8 | -34.7 | -169 | -72.2 | -58.6 | 124 | 0 | 0 | 113.3 | L429 K430 A431 | E427-L429 VanDerWaalsContact C-N 3.28Å; E427-L429 PolarHBondContact O-N 3.16Å; E427-K430 PolarHBondContact O-N 3.09Å; E427-K430 WeakPolarHBondContact OE1-CE 3.35Å; E427-K430 IonicContact OE1-NZ 3.5Å; E427-K430 PolarHBondContact OE1-NZ 3.16Å; E427-A431 PolarHBondContact O-N 2.83Å |
| 428 | F | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.6 | -30 | 178 | 82.4 | -88.7 | 0 | 0 | 0 | 112.6 | H305 A308 I309 M377 A378 D381 D425 R426 A431 | H305-F428 HydrophobicContact CB-CD1 4.17Å; H305-F428 HydrophobicContact CB-CE1 3.79Å; H305-F428 HydrophobicContact CB-CE2 4.37Å; H305-F428 HydrophobicContact CB-CZ 3.88Å; H305-F428 AromaticContact CE1-CD1 3.72Å; H305-F428 AromaticContact CE1-CG 3.92Å; H305-F428 AromaticContact CG-CD1 3.68Å; H305-F428 AromaticContact CG-CE1 3.83Å; H305-F428 AromaticContact CG-CG 3.97Å; H305-F428 AromaticContact ND1-CD1 3.38Å; H305-F428 WeakPolarHBondContact ND1-CD1 3.18Å; H305-F428 AromaticContact ND1-CE1 3.79Å; H305-F428 AromaticContact ND1-CG 3.92Å; A308-F428 HydrophobicContact CB-CE1 3.98Å; A308-F428 HydrophobicContact CB-CZ 4.46Å; I309-F428 HydrophobicContact CG1-CZ 4.25Å; M377-F428 HydrophobicContact CB-CD2 3.84Å; M377-F428 HydrophobicContact CB-CE2 4.05Å; M377-F428 WeakPolarHBondContact CE-O 3.46Å; A378-F428 HydrophobicContact CB-CD2 4.04Å; A378-F428 HydrophobicContact CB-CE2 3.65Å; A378-F428 HydrophobicContact CB-CZ 4.34Å; D381-F428 HydrophobicContact CB-CB 4.03Å; D425-F428 WeakPolarHBondContact O-CD1 3.37Å; D425-F428 WeakPolarHBondContact O-CE1 3.5Å; R426-F428 VanDerWaalsContact C-N 3.3Å; R426-F428 PolarHBondContact O-N 2.98Å; F428-A431 WeakPolarHBondContact O-CB 3.37Å |
| 429 | L | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75.5 | -34.4 | 177.3 | -66.2 | 172.1 | 0 | 0 | 0 | 111.9 | L312 A374 M377 L422 R426 E427 A431 F435 I440 | L312-L429 HydrophobicContact CD1-CD1 4.22Å; A374-L429 HydrophobicContact CB-CD2 3.9Å; M377-L429 HydrophobicContact CB-CD2 4.12Å; M377-L429 HydrophobicContact CG-CD2 4.49Å; L422-L429 HydrophobicContact CD1-CD1 3.37Å; R426-L429 WeakPolarHBondContact O-CB 3.15Å; R426-L429 PolarHBondContact O-N 2.92Å; E427-L429 VanDerWaalsContact C-N 3.28Å; E427-L429 PolarHBondContact O-N 3.16Å; L429-A431 PolarHBondContact O-N 2.94Å; L429-F435 HydrophobicContact CB-CB 3.98Å; L429-F435 HydrophobicContact CB-CD2 3.77Å; L429-F435 HydrophobicContact CB-CE2 4.45Å; L429-F435 HydrophobicContact CB-CG 3.93Å; L429-F435 HydrophobicContact CD2-CD2 3.97Å; L429-F435 HydrophobicContact CD2-CE2 3.78Å; L429-F435 HydrophobicContact CD2-CZ 4.24Å; L429-F435 HydrophobicContact CG-CD2 4.4Å; L429-F435 WeakPolarHBondContact O-CD2 3.46Å; L429-F435 PolarHBondContact O-N 2.85Å; L429-I440 HydrophobicContact CB-CD1 4.24Å; L429-I440 HydrophobicContact CD1-CD1 4.27Å |
| 430 | K | 98.7 | Very high | 98.5 | Very high | 50 Ų | 50 | 45.5 Ų | 45.5 | 22% | 0.217 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -73.4 | -14.9 | -179.4 | -67.2 | 164 | 58.4 | 173.7 | 0 | 113.2 | R426 E427 G432 G433 F435 D437 I440 | R426-K430 HydrophobicContact CB-CD 4.27Å; R426-K430 HydrophobicContact CG-CD 3.96Å; R426-K430 PolarHBondContact O-N 3.12Å; E427-K430 PolarHBondContact O-N 3.09Å; E427-K430 WeakPolarHBondContact OE1-CE 3.35Å; E427-K430 IonicContact OE1-NZ 3.5Å; E427-K430 PolarHBondContact OE1-NZ 3.16Å; K430-G432 PolarHBondContact O-N 3.16Å; K430-G433 PolarHBondContact O-N 2.82Å; K430-F435 WeakPolarHBondContact CA-O 3.41Å; K430-D437 WeakPolarHBondContact CD-OD1 3.37Å; K430-D437 WeakPolarHBondContact CE-OD1 3.34Å; K430-D437 WeakPolarHBondContact CE-OD2 3.49Å; K430-D437 VanDerWaalsContact NZ-CG 3.26Å; K430-D437 IonicContact NZ-OD1 3.09Å; K430-D437 PolarHBondContact NZ-OD1 2.76Å; K430-D437 IonicContact NZ-OD2 3.94Å; K430-D437 PolarHBondContact NZ-OD2 3.47Å; K430-I440 HydrophobicContact CG-CD1 4.22Å |
| 431 | A | 98.4 | Very high | 98.4 | Very high | 29 Ų | 29 | 46 Ų | 46 | 24% | 0.24 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -57.1 | 126 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y115 M377 E427 F428 L429 G433 V434 | Y115-A431 HydrophobicContact CE1-CB 4.29Å; Y115-A431 VanDerWaalsContact OH-CB 3.29Å; Y115-A431 WeakPolarHBondContact OH-CB 3.3Å; M377-A431 HydrophobicContact CE-CB 3.9Å; M377-A431 WeakPolarHBondContact CE-O 3.46Å; E427-A431 PolarHBondContact O-N 2.83Å; F428-A431 WeakPolarHBondContact O-CB 3.37Å; L429-A431 PolarHBondContact O-N 2.94Å; A431-G433 VanDerWaalsContact C-N 3.28Å; A431-G433 PolarHBondContact O-N 3.02Å; A431-V434 WeakPolarHBondContact O-CG2 3.17Å |
| 432 | G | 97.7 | Very high | 98.4 | Very high | 61 Ų | 61 | 43.5 Ų | 43.5 | 63% | 0.629 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | 74.4 | 9.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y115 K430 V434 | Y115-G432 VanDerWaalsContact CE2-CA 3.42Å; K430-G432 PolarHBondContact O-N 3.16Å; G432-V434 VanDerWaalsContact C-N 3.27Å; G432-V434 PolarHBondContact O-N 3.01Å |
| 433 | G | 98 | Very high | 98.4 | Very high | 42 Ų | 42 | 43.7 Ų | 43.7 | 43% | 0.433 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | 70.6 | 22.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K430 A431 | K430-G433 PolarHBondContact O-N 2.82Å; A431-G433 VanDerWaalsContact C-N 3.28Å; A431-G433 PolarHBondContact O-N 3.02Å |
| 434 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -66.8 | -55.9 | -179.8 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | I108 R111 A112 Y115 M377 A431 G432 | I108-V434 HydrophobicContact CG2-CG1 4.13Å; R111-V434 HydrophobicContact CB-CG1 4.43Å; R111-V434 HydrophobicContact CB-CG2 4.39Å; A112-V434 HydrophobicContact CB-CG1 3.67Å; Y115-V434 HydrophobicContact CD1-CG2 4.48Å; Y115-V434 HydrophobicContact CG-CG2 4.1Å; M377-V434 HydrophobicContact CE-CB 4.06Å; M377-V434 HydrophobicContact CE-CG2 3.8Å; M377-V434 HydrophobicContact CG-CG1 4.31Å; M377-V434 HydrophobicContact SD-CB 4.25Å; M377-V434 HydrophobicContact SD-CG1 4.19Å; M377-V434 HydrophobicContact SD-CG2 3.89Å; A431-V434 WeakPolarHBondContact O-CG2 3.17Å; G432-V434 VanDerWaalsContact C-N 3.27Å; G432-V434 PolarHBondContact O-N 3.01Å |
| 435 | F | 98.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -103.9 | 144.9 | 167.5 | -69.3 | -105 | 0 | 0 | 0 | 109.9 | I108 L312 L370 A373 L429 K430 I440 | I108-F435 HydrophobicContact CD1-CD1 4.32Å; I108-F435 HydrophobicContact CD1-CE1 4.37Å; I108-F435 HydrophobicContact CG2-CD1 4.13Å; I108-F435 HydrophobicContact CG2-CD2 3.92Å; I108-F435 HydrophobicContact CG2-CE1 3.8Å; I108-F435 HydrophobicContact CG2-CE2 3.55Å; I108-F435 HydrophobicContact CG2-CG 4.2Å; I108-F435 HydrophobicContact CG2-CZ 3.49Å; I108-F435 VanDerWaalsContact CG2-CZ 3.49Å; L312-F435 HydrophobicContact CD1-CE1 4.35Å; L312-F435 HydrophobicContact CD1-CZ 4.39Å; L370-F435 HydrophobicContact CD2-CE1 4.05Å; L370-F435 HydrophobicContact CD2-CZ 4.38Å; A373-F435 HydrophobicContact CB-CE2 3.83Å; A373-F435 HydrophobicContact CB-CZ 3.94Å; L429-F435 HydrophobicContact CB-CB 3.98Å; L429-F435 HydrophobicContact CB-CD2 3.77Å; L429-F435 HydrophobicContact CB-CE2 4.45Å; L429-F435 HydrophobicContact CB-CG 3.93Å; L429-F435 HydrophobicContact CD2-CD2 3.97Å; L429-F435 HydrophobicContact CD2-CE2 3.78Å; L429-F435 HydrophobicContact CD2-CZ 4.24Å; L429-F435 HydrophobicContact CG-CD2 4.4Å; L429-F435 WeakPolarHBondContact O-CD2 3.46Å; L429-F435 PolarHBondContact O-N 2.85Å; K430-F435 WeakPolarHBondContact CA-O 3.41Å; F435-I440 HydrophobicContact CB-CD1 3.97Å; F435-I440 HydrophobicContact CB-CG1 4.14Å; F435-I440 HydrophobicContact CD1-CG1 4.24Å |
| 436 | T | 98.4 | Very high | 98.4 | Very high | 30 Ų | 30 | 36.4 Ų | 36.4 | 18% | 0.184 | 22% | 0.223 | C | C | . | . | trans | -102.2 | 156.5 | 169.8 | 66.9 | 0 | 0 | 0 | 0 | 110.2 | D102 E438 A439 I440 | D102-T436 HydrophobicContact CB-CG2 4.11Å; D102-T436 WeakPolarHBondContact OD2-CG2 3.41Å; T436-E438 PolarHBondContact O-N 3.36Å; T436-A439 PolarHBondContact O-N 3.28Å; T436-A439 WeakPolarHBondContact OG1-CB 3.35Å; T436-A439 PolarHBondContact OG1-N 3.28Å; T436-I440 WeakPolarHBondContact O-CG1 3.45Å; T436-I440 PolarHBondContact O-N 2.88Å; T436-I440 VanDerWaalsContact O-N 3.09Å | ||
| 437 | D | 98.5 | Very high | 98.4 | Very high | 64 Ų | 64 | 35.8 Ų | 35.8 | 34% | 0.342 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -56.3 | -42.1 | 174.1 | -73.8 | -67 | 0 | 0 | 0 | 110.8 | R426 K430 A439 I440 D441 | R426-D437 WeakPolarHBondContact CD-OD1 3.4Å; R426-D437 IonicContact NH1-OD1 2.92Å; R426-D437 PolarHBondContact NH1-OD1 3.05Å; K430-D437 WeakPolarHBondContact CD-OD1 3.37Å; K430-D437 WeakPolarHBondContact CE-OD1 3.34Å; K430-D437 WeakPolarHBondContact CE-OD2 3.49Å; K430-D437 VanDerWaalsContact NZ-CG 3.26Å; K430-D437 IonicContact NZ-OD1 3.09Å; K430-D437 PolarHBondContact NZ-OD1 2.76Å; K430-D437 IonicContact NZ-OD2 3.94Å; K430-D437 PolarHBondContact NZ-OD2 3.47Å; D437-A439 VanDerWaalsContact C-N 3.34Å; D437-A439 PolarHBondContact O-N 3.13Å; D437-I440 PolarHBondContact O-N 2.71Å; D437-D441 WeakPolarHBondContact O-CB 3.29Å; D437-D441 PolarHBondContact O-N 2.8Å |
| 438 | E | 96.4 | Very high | 98.4 | Very high | 125 Ų | 125 | 32.6 Ų | 32.6 | 58% | 0.584 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -62.4 | -37.3 | 177.9 | -64.6 | -170.4 | -169.5 | 0 | 0 | 113.7 | R103 T436 A442 | R103-E438 IonicContact NH2-OE2 3.65Å; T436-E438 PolarHBondContact O-N 3.36Å; E438-A442 WeakPolarHBondContact O-CB 3.42Å; E438-A442 PolarHBondContact O-N 2.88Å |
| 439 | A | 98.3 | Very high | 98.3 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 8% | 0.083 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.6 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D102 R103 T436 D437 Y443 | D102-A439 WeakPolarHBondContact O-CB 3.37Å; R103-A439 HydrophobicContact CG-CB 4.14Å; T436-A439 PolarHBondContact O-N 3.28Å; T436-A439 WeakPolarHBondContact OG1-CB 3.35Å; T436-A439 PolarHBondContact OG1-N 3.28Å; D437-A439 VanDerWaalsContact C-N 3.34Å; D437-A439 PolarHBondContact O-N 3.13Å; A439-Y443 WeakPolarHBondContact O-CB 3.26Å; A439-Y443 PolarHBondContact O-N 2.73Å |
| 440 | I | 98.7 | Very high | 98.3 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.5 | -46.8 | 177.1 | -65.9 | 174.7 | 0 | 0 | 0 | 110.5 | L422 R426 L429 K430 F435 T436 D437 A442 Y443 I444 | L422-I440 HydrophobicContact CD1-CG2 4.37Å; L422-I440 HydrophobicContact CD2-CG2 4.25Å; L422-I440 HydrophobicContact CG-CG2 4.04Å; R426-I440 HydrophobicContact CB-CD1 3.79Å; L429-I440 HydrophobicContact CB-CD1 4.24Å; L429-I440 HydrophobicContact CD1-CD1 4.27Å; K430-I440 HydrophobicContact CG-CD1 4.22Å; F435-I440 HydrophobicContact CB-CD1 3.97Å; F435-I440 HydrophobicContact CB-CG1 4.14Å; F435-I440 HydrophobicContact CD1-CG1 4.24Å; T436-I440 WeakPolarHBondContact O-CG1 3.45Å; T436-I440 PolarHBondContact O-N 2.88Å; T436-I440 VanDerWaalsContact O-N 3.09Å; D437-I440 PolarHBondContact O-N 2.71Å; I440-A442 PolarHBondContact O-N 3.29Å; I440-Y443 WeakPolarHBondContact O-CB 3.39Å; I440-Y443 PolarHBondContact O-N 3.31Å; I440-I444 HydrophobicContact CG2-CD1 3.77Å; I440-I444 HydrophobicContact CG2-CG1 4.45Å; I440-I444 WeakPolarHBondContact O-CG1 3.31Å; I440-I444 PolarHBondContact O-N 2.94Å |
| 441 | D | 98.5 | Very high | 98.3 | Very high | 74 Ų | 74 | 39.1 Ų | 39.1 | 40% | 0.396 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.4 | -41.2 | -179.2 | -66.9 | -25.9 | 0 | 0 | 0 | 111.6 | R426 D437 Y443 I444 A445 | R426-D441 IonicContact CZ-OD1 3.64Å; R426-D441 VanDerWaalsContact CZ-OD1 3.26Å; R426-D441 IonicContact NH1-OD1 3.64Å; R426-D441 PolarHBondContact NH1-OD1 3.38Å; R426-D441 IonicContact NH1-OD2 3.08Å; R426-D441 IonicContact NH2-OD1 3.26Å; R426-D441 PolarHBondContact NH2-OD1 3.49Å; D437-D441 WeakPolarHBondContact O-CB 3.29Å; D437-D441 PolarHBondContact O-N 2.8Å; D441-Y443 VanDerWaalsContact C-N 3.34Å; D441-Y443 PolarHBondContact O-N 3.45Å; D441-I444 PolarHBondContact O-N 3.26Å; D441-A445 WeakPolarHBondContact O-CB 3.17Å; D441-A445 PolarHBondContact O-N 3.02Å |
| 442 | A | 98 | Very high | 98.3 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 12% | 0.116 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.9 | -39.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E438 I440 L446 | E438-A442 WeakPolarHBondContact O-CB 3.42Å; E438-A442 PolarHBondContact O-N 2.88Å; I440-A442 PolarHBondContact O-N 3.29Å; A442-L446 WeakPolarHBondContact O-CG 3.48Å; A442-L446 PolarHBondContact O-N 3.22Å; A442-L446 VanDerWaalsContact O-N 3.13Å |
| 443 | Y | 98.7 | Very high | 98.4 | Very high | 5 Ų | 5 | 45.5 Ų | 45.5 | 2% | 0.02 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61 | -49.8 | 173.5 | -178.1 | -83.5 | 0 | 0 | 0 | 111.3 | T25 A311 L312 P315 L370 L419 L422 A439 I440 D441 A445 L446 R447 | T25-Y443 HydrophobicContact CG2-CD2 3.66Å; T25-Y443 HydrophobicContact CG2-CE2 4.45Å; T25-Y443 HydrophobicContact CG2-CG 4.47Å; A311-Y443 WeakPolarHBondContact O-CE1 3.35Å; A311-Y443 PolarHBondContact O-OH 3.23Å; L312-Y443 HydrophobicContact CD2-CD1 4.09Å; L312-Y443 HydrophobicContact CD2-CD2 4.09Å; L312-Y443 HydrophobicContact CD2-CE1 3.79Å; L312-Y443 HydrophobicContact CD2-CE2 3.77Å; L312-Y443 HydrophobicContact CD2-CG 4.26Å; P315-Y443 WeakPolarHBondContact CB-OH 3.23Å; L370-Y443 HydrophobicContact CD1-CD2 3.85Å; L370-Y443 HydrophobicContact CD1-CE2 3.84Å; L419-Y443 HydrophobicContact CD2-CD1 4.45Å; L419-Y443 HydrophobicContact CD2-CE1 4.15Å; L422-Y443 HydrophobicContact CD2-CD1 4.03Å; L422-Y443 HydrophobicContact CD2-CE1 4.43Å; A439-Y443 WeakPolarHBondContact O-CB 3.26Å; A439-Y443 PolarHBondContact O-N 2.73Å; I440-Y443 WeakPolarHBondContact O-CB 3.39Å; I440-Y443 PolarHBondContact O-N 3.31Å; D441-Y443 VanDerWaalsContact C-N 3.34Å; D441-Y443 PolarHBondContact O-N 3.45Å; Y443-A445 VanDerWaalsContact C-N 3.34Å; Y443-A445 PolarHBondContact O-N 2.8Å; Y443-L446 PolarHBondContact O-N 3.25Å; Y443-R447 HydrophobicContact CD1-CG 4.06Å; Y443-R447 HydrophobicContact CE1-CG 3.5Å; Y443-R447 HydrophobicContact CE2-CG 4.47Å; Y443-R447 WeakPolarHBondContact O-CG 3.37Å; Y443-R447 PolarHBondContact O-N 3.3Å; Y443-R447 VanDerWaalsContact O-N 3.12Å; Y443-R447 PolarHBondContact OH-NE 3.06Å; Y443-R447 VanDerWaalsContact OH-NE 3.14Å |
| 444 | I | 98.8 | Very high | 98.4 | Very high | 19 Ų | 19 | 47 Ų | 47 | 10% | 0.097 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.8 | -47.2 | 179.7 | -69.8 | 166 | 0 | 0 | 0 | 110.2 | L419 L422 D423 I440 D441 L446 R447 R448 | L419-I444 HydrophobicContact CD2-CG1 4.34Å; L422-I444 HydrophobicContact CD2-CD1 4.31Å; L422-I444 HydrophobicContact CD2-CG1 3.97Å; L422-I444 HydrophobicContact CG-CD1 4.32Å; L422-I444 HydrophobicContact CG-CG1 4.5Å; D423-I444 HydrophobicContact CB-CD1 3.97Å; I440-I444 HydrophobicContact CG2-CD1 3.77Å; I440-I444 HydrophobicContact CG2-CG1 4.45Å; I440-I444 WeakPolarHBondContact O-CG1 3.31Å; I440-I444 PolarHBondContact O-N 2.94Å; D441-I444 PolarHBondContact O-N 3.26Å; I444-L446 VanDerWaalsContact C-N 3.35Å; I444-L446 PolarHBondContact O-N 2.87Å; I444-R447 PolarHBondContact O-N 3.21Å; I444-R448 HydrophobicContact CG2-CG 4.09Å; I444-R448 WeakPolarHBondContact O-CB 3.38Å; I444-R448 VanDerWaalsContact O-CG 3.26Å; I444-R448 WeakPolarHBondContact O-CG 3.49Å; I444-R448 PolarHBondContact O-N 2.93Å |
| 445 | A | 98.3 | Very high | 98.4 | Very high | 64 Ų | 64 | 53.1 Ų | 53.1 | 53% | 0.529 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -57.6 | -45.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | D441 Y443 R447 R448 E449 | D441-A445 WeakPolarHBondContact O-CB 3.17Å; D441-A445 PolarHBondContact O-N 3.02Å; Y443-A445 VanDerWaalsContact C-N 3.34Å; Y443-A445 PolarHBondContact O-N 2.8Å; A445-R447 VanDerWaalsContact C-N 3.35Å; A445-R447 PolarHBondContact O-N 3.02Å; A445-R448 PolarHBondContact O-N 2.88Å; A445-E449 PolarHBondContact O-N 3.27Å |
| 446 | L | 98 | Very high | 98.4 | Very high | 18 Ų | 18 | 59.6 Ų | 59.6 | 9% | 0.094 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.5 | -42 | 176.7 | -78.7 | 177.9 | 0 | 0 | 0 | 113.1 | T25 K26 G56 A442 Y443 I444 | T25-L446 HydrophobicContact CG2-CD1 3.86Å; K26-L446 HydrophobicContact CG-CD1 4.46Å; G56-L446 WeakPolarHBondContact O-CD1 3.37Å; A442-L446 WeakPolarHBondContact O-CG 3.48Å; A442-L446 PolarHBondContact O-N 3.22Å; A442-L446 VanDerWaalsContact O-N 3.13Å; Y443-L446 PolarHBondContact O-N 3.25Å; I444-L446 VanDerWaalsContact C-N 3.35Å; I444-L446 PolarHBondContact O-N 2.87Å |
| 447 | R | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 60.6 Ų | 60.6 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -77.1 | -30.4 | -177.8 | -62.4 | -49.9 | -173.1 | -179 | 4 | 112.5 | K26 L419 Y443 I444 A445 E449 E450 D451 | K26-R447 VanDerWaalsContact CA-NH2 3.28Å; K26-R447 PolarHBondContact O-NH2 3.46Å; L419-R447 HydrophobicContact CD1-CB 3.66Å; L419-R447 HydrophobicContact CD2-CB 3.72Å; L419-R447 HydrophobicContact CD2-CG 4.19Å; L419-R447 HydrophobicContact CG-CB 4.3Å; Y443-R447 HydrophobicContact CD1-CG 4.06Å; Y443-R447 HydrophobicContact CE1-CG 3.5Å; Y443-R447 HydrophobicContact CE2-CG 4.47Å; Y443-R447 WeakPolarHBondContact O-CG 3.37Å; Y443-R447 PolarHBondContact O-N 3.3Å; Y443-R447 VanDerWaalsContact O-N 3.12Å; Y443-R447 PolarHBondContact OH-NE 3.06Å; Y443-R447 VanDerWaalsContact OH-NE 3.14Å; I444-R447 PolarHBondContact O-N 3.21Å; A445-R447 VanDerWaalsContact C-N 3.35Å; A445-R447 PolarHBondContact O-N 3.02Å; R447-E449 VanDerWaalsContact C-N 3.32Å; R447-E450 VanDerWaalsContact CD-OE2 3.31Å; R447-E450 WeakPolarHBondContact CD-OE2 3.48Å; R447-E450 IonicContact CZ-OE2 2.82Å; R447-E450 IonicContact NE-OE2 3.43Å; R447-E450 IonicContact NH1-OE1 2.76Å; R447-E450 IonicContact NH1-OE2 3.33Å; R447-E450 PolarHBondContact NH1-OE2 2.79Å; R447-E450 PolarHBondContact O-N 2.81Å; R447-D451 WeakPolarHBondContact O-CB 3.18Å; R447-D451 PolarHBondContact O-N 2.56Å |
| 448 | R | 98.6 | Very high | 98.4 | Very high | 54 Ų | 54 | 61 Ų | 61 | 20% | 0.204 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 171.3 | -74.3 | -68.6 | -176 | 166.1 | 2.3 | 111.6 | E416 L419 N420 I444 A445 E450 D451 D452 | E416-R448 IonicContact OE1-CZ 3.29Å; E416-R448 IonicContact OE1-NH1 3.93Å; E416-R448 PolarHBondContact OE1-NH1 2.98Å; L419-R448 HydrophobicContact CD1-CG 4.11Å; N420-R448 VanDerWaalsContact CG-NH2 3.3Å; N420-R448 PolarHBondContact OD1-NH2 2.76Å; I444-R448 HydrophobicContact CG2-CG 4.09Å; I444-R448 WeakPolarHBondContact O-CB 3.38Å; I444-R448 VanDerWaalsContact O-CG 3.26Å; I444-R448 WeakPolarHBondContact O-CG 3.49Å; I444-R448 PolarHBondContact O-N 2.93Å; A445-R448 PolarHBondContact O-N 2.88Å; R448-E450 VanDerWaalsContact C-N 3.32Å; R448-E450 PolarHBondContact O-N 3.25Å; R448-D451 PolarHBondContact O-N 2.95Å; R448-D452 WeakPolarHBondContact O-CB 3.27Å; R448-D452 PolarHBondContact O-N 3.34Å; R448-D452 VanDerWaalsContact O-OD1 3.05Å |
| 449 | E | 98.3 | Very high | 98.5 | Very high | 124 Ų | 124 | 60.2 Ų | 60.2 | 58% | 0.579 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.4 | -41 | 175.8 | -169 | -171.3 | 160.8 | 0 | 0 | 112.3 | A445 R447 R453 | A445-E449 PolarHBondContact O-N 3.27Å; R447-E449 VanDerWaalsContact C-N 3.32Å; E449-R453 VanDerWaalsContact O-CG 3.27Å; E449-R453 WeakPolarHBondContact O-CG 3.46Å; E449-R453 PolarHBondContact O-N 3.32Å |
| 450 | E | 98.5 | Very high | 98.5 | Very high | 60 Ų | 60 | 62.8 Ų | 62.8 | 28% | 0.28 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.6 | -38.4 | 176 | -67.3 | -179.7 | 155.2 | 0 | 0 | 112.6 | K26 R447 R448 | K26-E450 WeakPolarHBondContact CD-OE1 3.38Å; K26-E450 VanDerWaalsContact CE-OE1 3.27Å; K26-E450 WeakPolarHBondContact CE-OE1 3.45Å; K26-E450 IonicContact NZ-OE1 3.2Å; K26-E450 PolarHBondContact NZ-OE1 2.82Å; R447-E450 VanDerWaalsContact CD-OE2 3.31Å; R447-E450 WeakPolarHBondContact CD-OE2 3.48Å; R447-E450 IonicContact CZ-OE2 2.82Å; R447-E450 IonicContact NE-OE2 3.43Å; R447-E450 IonicContact NH1-OE1 2.76Å; R447-E450 IonicContact NH1-OE2 3.33Å; R447-E450 PolarHBondContact NH1-OE2 2.79Å; R447-E450 PolarHBondContact O-N 2.81Å; R448-E450 VanDerWaalsContact C-N 3.32Å; R448-E450 PolarHBondContact O-N 3.25Å |
| 451 | D | 98.6 | Very high | 98.5 | Very high | 9 Ų | 9 | 65.7 Ų | 65.7 | 5% | 0.048 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.4 | -47 | 175.7 | -173.1 | 58.9 | 0 | 0 | 0 | 111.7 | T317 L415 R447 R448 R453 V454 R455 | T317-D451 HydrophobicContact CG2-CB 4.29Å; T317-D451 WeakPolarHBondContact CG2-OD1 3.33Å; L415-D451 HydrophobicContact CD2-CB 4.12Å; R447-D451 WeakPolarHBondContact O-CB 3.18Å; R447-D451 PolarHBondContact O-N 2.56Å; R448-D451 PolarHBondContact O-N 2.95Å; D451-R453 VanDerWaalsContact C-N 3.29Å; D451-R453 PolarHBondContact O-N 2.67Å; D451-V454 PolarHBondContact O-N 3.44Å; D451-R455 WeakPolarHBondContact O-CG 3.25Å; D451-R455 PolarHBondContact O-N 2.76Å; D451-R455 WeakPolarHBondContact OD2-CD 3.21Å; D451-R455 IonicContact OD2-CZ 2.78Å; D451-R455 IonicContact OD2-NE 2.75Å; D451-R455 PolarHBondContact OD2-NE 3.46Å |
| 452 | D | 98.6 | Very high | 98.5 | Very high | 57 Ų | 57 | 66.5 Ų | 66.5 | 31% | 0.305 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -54.8 | -44.5 | 177.4 | -73.4 | 9.8 | 0 | 0 | 0 | 111.6 | R448 V454 R455 M456 | R448-D452 WeakPolarHBondContact O-CB 3.27Å; R448-D452 PolarHBondContact O-N 3.34Å; R448-D452 VanDerWaalsContact O-OD1 3.05Å; D452-V454 PolarHBondContact O-N 3.5Å; D452-R455 PolarHBondContact O-N 3.03Å; D452-R455 IonicContact OD1-CZ 3.25Å; D452-R455 IonicContact OD1-NE 2.74Å; D452-R455 IonicContact OD1-NH2 2.9Å; D452-R455 PolarHBondContact OD1-NH2 2.82Å; D452-M456 HydrophobicContact CB-SD 4.19Å; D452-M456 VanDerWaalsContact O-CB 3.23Å; D452-M456 WeakPolarHBondContact O-CB 3.44Å; D452-M456 WeakPolarHBondContact O-CG 3.41Å; D452-M456 PolarHBondContact O-N 3.17Å |
| 453 | R | 98.5 | Very high | 98.5 | Very high | 167 Ų | 167 | 71.2 Ų | 71.2 | 63% | 0.63 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -55 | -40.2 | 176.6 | -73.7 | -76.6 | -55.6 | -73 | -4.8 | 112.4 | E449 D451 T457 | E449-R453 VanDerWaalsContact O-CG 3.27Å; E449-R453 WeakPolarHBondContact O-CG 3.46Å; E449-R453 PolarHBondContact O-N 3.32Å; D451-R453 VanDerWaalsContact C-N 3.29Å; D451-R453 PolarHBondContact O-N 2.67Å; R453-T457 WeakPolarHBondContact O-CB 3.3Å; R453-T457 PolarHBondContact O-N 3.41Å; R453-T457 PolarHBondContact O-OG1 3.44Å |
| 454 | V | 98.6 | Very high | 98.5 | Very high | 73 Ų | 73 | 78.7 Ų | 78.7 | 44% | 0.442 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -80.4 | -43 | -180 | 177.1 | 0 | 0 | 0 | 0 | 111.2 | T317 D451 D452 M456 | T317-V454 HydrophobicContact CG2-CB 4.18Å; T317-V454 HydrophobicContact CG2-CG2 4.19Å; D451-V454 PolarHBondContact O-N 3.44Å; D452-V454 PolarHBondContact O-N 3.5Å; V454-M456 VanDerWaalsContact C-N 3.29Å; V454-M456 PolarHBondContact O-N 3.46Å |
| 455 | R | 98.2 | Very high | 98.4 | Very high | 130 Ų | 130 | 82.7 Ų | 82.7 | 49% | 0.491 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.6 | -31 | 179.8 | -67.8 | -171.2 | -55.9 | 97.7 | 0.2 | 113.1 | D451 D452 | D451-R455 WeakPolarHBondContact O-CG 3.25Å; D451-R455 PolarHBondContact O-N 2.76Å; D451-R455 WeakPolarHBondContact OD2-CD 3.21Å; D451-R455 IonicContact OD2-CZ 2.78Å; D451-R455 IonicContact OD2-NE 2.75Å; D451-R455 PolarHBondContact OD2-NE 3.46Å; D452-R455 PolarHBondContact O-N 3.03Å; D452-R455 IonicContact OD1-CZ 3.25Å; D452-R455 IonicContact OD1-NE 2.74Å; D452-R455 IonicContact OD1-NH2 2.9Å; D452-R455 PolarHBondContact OD1-NH2 2.82Å |
| 456 | M | 98.4 | Very high | 98.4 | Very high | 143 Ų | 143 | 86.1 Ų | 86.1 | 70% | 0.704 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -92.2 | -15.7 | -176.4 | -64.1 | 173.4 | 66.2 | 0 | 0 | 114.1 | D452 V454 | D452-M456 HydrophobicContact CB-SD 4.19Å; D452-M456 VanDerWaalsContact O-CB 3.23Å; D452-M456 WeakPolarHBondContact O-CB 3.44Å; D452-M456 WeakPolarHBondContact O-CG 3.41Å; D452-M456 PolarHBondContact O-N 3.17Å; V454-M456 VanDerWaalsContact C-N 3.29Å; V454-M456 PolarHBondContact O-N 3.46Å |
| 457 | T | 98.5 | Very high | 98.4 | Very high | 51 Ų | 51 | 94 Ų | 94 | 31% | 0.313 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -91.1 | 122.5 | -179.5 | -59.2 | 0 | 0 | 0 | 0 | 109.8 | R453 H459 | R453-T457 WeakPolarHBondContact O-CB 3.3Å; R453-T457 PolarHBondContact O-N 3.41Å; R453-T457 PolarHBondContact O-OG1 3.44Å; T457-H459 PolarHBondContact O-N 3.02Å |
| 458 | P | 98.4 | Very high | 98.4 | Very high | 73 Ų | 73 | 99.1 Ų | 99.1 | 47% | 0.474 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 134.6 | 174.9 | -27 | 35.4 | 0 | 0 | 0 | 112.4 | E462 F463 | P458-E462 WeakPolarHBondContact CA-OE2 3.47Å; P458-F463 HydrophobicContact CB-CE2 4.15Å |
| 459 | H | 98.5 | Very high | 98.2 | Very high | 108 Ų | 108 | 105.2 Ų | 105.2 | 50% | 0.5 | 52% | 0.522 | S | S | . | . | P | Polyproline II helix | trans | -93.4 | 141.6 | -175.9 | -170.3 | -88.8 | 0 | 0 | 0 | 110.9 | T457 V461 E462 | T457-H459 PolarHBondContact O-N 3.02Å; H459-V461 WeakPolarHBondContact ND1-CB 3.42Å; H459-V461 PolarHBondContact ND1-N 2.74Å; H459-V461 PolarHBondContact O-N 2.86Å; H459-V461 VanDerWaalsContact O-N 3.08Å; H459-E462 HydrophobicContact CB-CG 4.14Å; H459-E462 PolarHBondContact N-OE2 3.34Å; H459-E462 VanDerWaalsContact O-CB 3.32Å; H459-E462 WeakPolarHBondContact O-CB 3.19Å; H459-E462 PolarHBondContact O-N 2.86Å |
| 460 | P | 98.5 | Very high | 98.2 | Very high | 65 Ų | 65 | 104.3 Ų | 104.3 | 42% | 0.422 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -51.5 | -37.7 | -179.7 | -30.8 | 36.4 | 0 | 0 | 0 | 114.6 | E462 F463 | P460-E462 VanDerWaalsContact C-N 3.27Å; P460-E462 PolarHBondContact O-N 3.21Å; P460-F463 WeakPolarHBondContact O-CB 3.41Å; P460-F463 PolarHBondContact O-N 3.33Å; P460-F463 VanDerWaalsContact O-N 3.16Å |
| 461 | V | 98.4 | Very high | 98.1 | Very high | 65 Ų | 65 | 106.6 Ų | 106.6 | 39% | 0.394 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.6 | -26.8 | 176.7 | 179.3 | 0 | 0 | 0 | 0 | 112.9 | H459 F463 E464 L465 | H459-V461 WeakPolarHBondContact ND1-CB 3.42Å; H459-V461 PolarHBondContact ND1-N 2.74Å; H459-V461 PolarHBondContact O-N 2.86Å; H459-V461 VanDerWaalsContact O-N 3.08Å; V461-F463 PolarHBondContact O-N 3.25Å; V461-E464 WeakPolarHBondContact O-CB 3.39Å; V461-E464 PolarHBondContact O-N 2.78Å; V461-L465 HydrophobicContact CG1-CD1 3.86Å; V461-L465 HydrophobicContact CG1-CG 4.13Å; V461-L465 WeakPolarHBondContact O-CG 3.27Å; V461-L465 PolarHBondContact O-N 3.48Å |
| 462 | E | 98.6 | Very high | 98.1 | Very high | 90 Ų | 90 | 112 Ų | 112 | 42% | 0.421 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.2 | -28.2 | 175.7 | -66.8 | 177.8 | 141.4 | 0 | 0 | 111.9 | P458 H459 P460 Y466 | P458-E462 WeakPolarHBondContact CA-OE2 3.47Å; H459-E462 HydrophobicContact CB-CG 4.14Å; H459-E462 PolarHBondContact N-OE2 3.34Å; H459-E462 VanDerWaalsContact O-CB 3.32Å; H459-E462 WeakPolarHBondContact O-CB 3.19Å; H459-E462 PolarHBondContact O-N 2.86Å; P460-E462 VanDerWaalsContact C-N 3.27Å; P460-E462 PolarHBondContact O-N 3.21Å; E462-Y466 HydrophobicContact CB-CD2 4.02Å; E462-Y466 HydrophobicContact CB-CE2 4.47Å; E462-Y466 HydrophobicContact CG-CD2 4.33Å; E462-Y466 HydrophobicContact CG-CE2 4.33Å; E462-Y466 WeakPolarHBondContact O-CA 3.48Å; E462-Y466 VanDerWaalsContact O-CB 3.31Å; E462-Y466 WeakPolarHBondContact O-CB 3.24Å; E462-Y466 WeakPolarHBondContact O-CD2 3.26Å; E462-Y466 PolarHBondContact O-N 3.03Å |
| 463 | F | 98.3 | Very high | 98.1 | Very high | 113 Ų | 113 | 115.2 Ų | 115.2 | 50% | 0.496 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -70.1 | -40.3 | 172.1 | -67.8 | -101.7 | 0 | 0 | 0 | 110.9 | P458 P460 V461 L465 Y467 | P458-F463 HydrophobicContact CB-CE2 4.15Å; P460-F463 WeakPolarHBondContact O-CB 3.41Å; P460-F463 PolarHBondContact O-N 3.33Å; P460-F463 VanDerWaalsContact O-N 3.16Å; V461-F463 PolarHBondContact O-N 3.25Å; F463-L465 VanDerWaalsContact C-N 3.32Å; F463-L465 PolarHBondContact O-N 2.99Å; F463-Y467 HydrophobicContact CD1-CD2 4.02Å; F463-Y467 WeakPolarHBondContact O-CB 3.44Å; F463-Y467 PolarHBondContact O-N 3.18Å |
| 464 | E | 98.4 | Very high | 98.1 | Very high | 163 Ų | 163 | 112 Ų | 112 | 76% | 0.762 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.3 | -42.5 | 173.8 | -176.8 | -177.4 | 151.2 | 0 | 0 | 111.8 | V461 | V461-E464 WeakPolarHBondContact O-CB 3.39Å; V461-E464 PolarHBondContact O-N 2.78Å |
| 465 | L | 98.1 | Very high | 98 | Very high | 102 Ų | 102 | 114.6 Ų | 114.6 | 53% | 0.534 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -79.7 | -38.3 | -176.6 | -65.9 | 172.5 | 0 | 0 | 0 | 113.6 | V461 F463 | V461-L465 HydrophobicContact CG1-CD1 3.86Å; V461-L465 HydrophobicContact CG1-CG 4.13Å; V461-L465 WeakPolarHBondContact O-CG 3.27Å; V461-L465 PolarHBondContact O-N 3.48Å; F463-L465 VanDerWaalsContact C-N 3.32Å; F463-L465 PolarHBondContact O-N 2.99Å |
| 466 | Y | 98.5 | Very high | 98 | Very high | 137 Ų | 137 | 113.5 Ų | 113.5 | 54% | 0.537 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -131.6 | 1.6 | -162.2 | -45.6 | -58 | 0 | 0 | 0 | 114.8 | E462 S468 V469 | E462-Y466 HydrophobicContact CB-CD2 4.02Å; E462-Y466 HydrophobicContact CB-CE2 4.47Å; E462-Y466 HydrophobicContact CG-CD2 4.33Å; E462-Y466 HydrophobicContact CG-CE2 4.33Å; E462-Y466 WeakPolarHBondContact O-CA 3.48Å; E462-Y466 VanDerWaalsContact O-CB 3.31Å; E462-Y466 WeakPolarHBondContact O-CB 3.24Å; E462-Y466 WeakPolarHBondContact O-CD2 3.26Å; E462-Y466 PolarHBondContact O-N 3.03Å; Y466-S468 PolarHBondContact O-N 3.47Å; Y466-V469 WeakPolarHBondContact O-CG1 3.49Å; Y466-V469 PolarHBondContact O-N 2.73Å |
| 467 | Y | 97.7 | Very high | 98 | Very high | 182 Ų | 182 | 111.2 Ų | 111.2 | 71% | 0.714 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -31.4 | 176.5 | -178.4 | -96.9 | 0 | 0 | 0 | 112.6 | F463 | F463-Y467 HydrophobicContact CD1-CD2 4.02Å; F463-Y467 WeakPolarHBondContact O-CB 3.44Å; F463-Y467 PolarHBondContact O-N 3.18Å |
| 468 | S | 97.3 | Very high | 97.9 | Very high | 116 Ų | 116 | 116.3 Ų | 116.3 | 81% | 0.811 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106 | 21.1 | -177.3 | -52 | 0 | 0 | 0 | 0 | 113.8 | Y466 | Y466-S468 PolarHBondContact O-N 3.47Š|
| 469 | V | 94.7 | Very high | 97.9 | Very high | 181 Ų | 181 | 120.2 Ų | 120.2 | 100% | 1.097 | 61% | 0.608 | S | S | * | * | trans | -60.7 | 0 | 175.6 | 65.2 | 0 | 0 | 0 | 0 | 112.9 | Y466 | Y466-V469 WeakPolarHBondContact O-CG1 3.49Å; Y466-V469 PolarHBondContact O-N 2.73Å |
Retrieved 469 of 469 residues in 328.2 ms
(Link to these results)