| 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 | 68.3 | Low | 87.7 | Confident | 78 Ų | 78 | 66.7 Ų | 66.7 | 38% | 0.384 | 33% | 0.333 | S | S | . | . | 0 | 160.6 | 0 | -122.5 | -162.8 | -75.3 | 0 | 0 | 110.6 | R3 L6 L53 N54 L58 L74 | M1-R3 PolarHBondContact O-N 3Å; M1-L6 HydrophobicContact CB-CD1 4.12Å; M1-L6 HydrophobicContact CE-CD2 4.28Å; M1-L6 HydrophobicContact SD-CD2 3.9Å; M1-L53 HydrophobicContact CE-CD1 3.63Å; M1-L53 HydrophobicContact CE-CG 3.63Å; M1-N54 WeakPolarHBondContact CE-O 3.43Å; M1-L58 HydrophobicContact CE-CD1 3.23Å; M1-L58 HydrophobicContact CE-CG 3.69Å; M1-L58 HydrophobicContact SD-CD1 3.67Å; M1-L74 HydrophobicContact SD-CD2 4.39Å | |||
| 2 | N | 80.5 | Confident | 88.2 | Confident | 68 Ų | 68 | 67.8 Ų | 67.8 | 36% | 0.364 | 34% | 0.341 | S | S | . | . | trans | -69.1 | 114.2 | -178.8 | -173.2 | -6.7 | 0 | 0 | 0 | 111.2 | P4 L5 L6 D77 | N2-P4 WeakPolarHBondContact OD1-CD 3.49Å; N2-P4 WeakPolarHBondContact OD1-CG 3.44Å; N2-L5 HydrophobicContact CB-CB 3.96Å; N2-L5 WeakPolarHBondContact O-CB 3.38Å; N2-L5 PolarHBondContact O-N 3.47Å; N2-L5 VanDerWaalsContact O-N 3.13Å; N2-L6 PolarHBondContact O-N 3.19Å; N2-L6 VanDerWaalsContact O-N 3.16Å; N2-D77 WeakPolarHBondContact CB-OD2 3.5Å; N2-D77 PolarHBondContact ND2-OD2 3.07Å | ||
| 3 | R | 86.1 | Confident | 88.7 | Confident | 132 Ų | 132 | 64 Ų | 64 | 50% | 0.498 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | -176.4 | -67.7 | -73.3 | -169.7 | -160.6 | -6.2 | 113 | M1 L5 L6 A7 E48 | M1-R3 PolarHBondContact O-N 3Å; R3-L5 VanDerWaalsContact C-N 3.29Å; R3-L5 PolarHBondContact O-N 2.68Å; R3-L6 PolarHBondContact O-N 3.35Å; R3-A7 PolarHBondContact O-N 3.2Å; R3-E48 IonicContact CZ-OE1 3.2Å; R3-E48 IonicContact CZ-OE2 2.82Å; R3-E48 IonicContact NH1-OE1 2.88Å; R3-E48 IonicContact NH1-OE2 2.86Å; R3-E48 PolarHBondContact NH1-OE2 2.92Å; R3-E48 VanDerWaalsContact NH2-CD 3.3Å; R3-E48 IonicContact NH2-OE1 2.81Å; R3-E48 PolarHBondContact NH2-OE1 3.45Å; R3-E48 IonicContact NH2-OE2 3.35Å; R3-E48 PolarHBondContact NH2-OE2 3.37Å |
| 4 | P | 87.7 | Confident | 89 | Confident | 89 Ų | 89 | 63.6 Ų | 63.6 | 58% | 0.578 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -51.4 | -40.3 | 169.2 | -30.5 | 27.5 | 0 | 0 | 0 | 115.3 | N2 A7 R8 | N2-P4 WeakPolarHBondContact OD1-CD 3.49Å; N2-P4 WeakPolarHBondContact OD1-CG 3.44Å; P4-A7 PolarHBondContact O-N 2.94Å; P4-R8 WeakPolarHBondContact O-CG 3.31Å; P4-R8 PolarHBondContact O-N 3.12Å |
| 5 | L | 88.3 | Confident | 89.1 | Confident | 15 Ų | 15 | 65.9 Ų | 65.9 | 8% | 0.079 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.6 | -46.6 | 177.9 | 178.8 | 68.4 | 0 | 0 | 0 | 111.1 | N2 R3 A7 R8 I9 L74 D77 | N2-L5 HydrophobicContact CB-CB 3.96Å; N2-L5 WeakPolarHBondContact O-CB 3.38Å; N2-L5 PolarHBondContact O-N 3.47Å; N2-L5 VanDerWaalsContact O-N 3.13Å; R3-L5 VanDerWaalsContact C-N 3.29Å; R3-L5 PolarHBondContact O-N 2.68Å; L5-A7 VanDerWaalsContact C-N 3.27Å; L5-A7 PolarHBondContact O-N 3.22Å; L5-R8 PolarHBondContact O-N 3.46Å; L5-R8 VanDerWaalsContact O-N 3.16Å; L5-I9 HydrophobicContact CD1-CD1 4.41Å; L5-I9 HydrophobicContact CD2-CD1 4.5Å; L5-I9 HydrophobicContact CG-CD1 3.97Å; L5-I9 WeakPolarHBondContact O-CG1 3.41Å; L5-I9 PolarHBondContact O-N 3.23Å; L5-L74 HydrophobicContact CD2-CD2 3.98Å; L5-D77 HydrophobicContact CD1-CB 4.21Å; L5-D77 HydrophobicContact CD2-CB 3.86Å; L5-D77 WeakPolarHBondContact CD2-OD2 3.37Å |
| 6 | L | 90.9 | Very high | 89.2 | Confident | 8 Ų | 8 | 72.7 Ų | 72.7 | 4% | 0.042 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.3 | -34.1 | 178.8 | -65.3 | 174.4 | 0 | 0 | 0 | 112.6 | M1 N2 R3 D10 F44 L53 L58 | M1-L6 HydrophobicContact CB-CD1 4.12Å; M1-L6 HydrophobicContact CE-CD2 4.28Å; M1-L6 HydrophobicContact SD-CD2 3.9Å; N2-L6 PolarHBondContact O-N 3.19Å; N2-L6 VanDerWaalsContact O-N 3.16Å; R3-L6 PolarHBondContact O-N 3.35Å; L6-D10 WeakPolarHBondContact O-CB 3.26Å; L6-D10 PolarHBondContact O-N 3Å; L6-F44 HydrophobicContact CB-CD2 3.98Å; L6-F44 HydrophobicContact CB-CE2 4.42Å; L6-F44 HydrophobicContact CD2-CD2 3.9Å; L6-F44 HydrophobicContact CD2-CE2 4.23Å; L6-F44 HydrophobicContact CD2-CG 4.17Å; L6-F44 HydrophobicContact CG-CD2 4.4Å; L6-L53 HydrophobicContact CD1-CD2 3.87Å; L6-L53 HydrophobicContact CD2-CD1 4.49Å; L6-L58 HydrophobicContact CD2-CD1 3.69Å |
| 7 | A | 91.4 | Very high | 89.4 | Confident | 46 Ų | 46 | 70.8 Ų | 70.8 | 38% | 0.38 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R3 P4 L5 D10 D11 | R3-A7 PolarHBondContact O-N 3.2Å; P4-A7 PolarHBondContact O-N 2.94Å; L5-A7 VanDerWaalsContact C-N 3.27Å; L5-A7 PolarHBondContact O-N 3.22Å; A7-D10 WeakPolarHBondContact O-CB 3.46Å; A7-D10 PolarHBondContact O-N 3.49Å; A7-D11 PolarHBondContact O-N 3.21Å |
| 8 | R | 91.3 | Very high | 89.7 | Confident | 162 Ų | 162 | 67.3 Ų | 67.3 | 61% | 0.611 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.4 | -40.7 | 176.1 | -65.9 | 176.4 | 77.3 | -174.9 | 4.4 | 112.1 | P4 L5 D10 D11 D12 M73 | P4-R8 WeakPolarHBondContact O-CG 3.31Å; P4-R8 PolarHBondContact O-N 3.12Å; L5-R8 PolarHBondContact O-N 3.46Å; L5-R8 VanDerWaalsContact O-N 3.16Å; R8-D10 VanDerWaalsContact C-N 3.3Å; R8-D10 PolarHBondContact O-N 2.66Å; R8-D11 PolarHBondContact O-N 3.14Å; R8-D12 PolarHBondContact O-N 3.02Å; R8-M73 HydrophobicContact CB-CE 3.85Å |
| 9 | I | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61 | -41.2 | 174.5 | -69.7 | 169.8 | 0 | 0 | 0 | 110.8 | L5 D12 L13 F44 F62 L70 M73 L74 | L5-I9 HydrophobicContact CD1-CD1 4.41Å; L5-I9 HydrophobicContact CD2-CD1 4.5Å; L5-I9 HydrophobicContact CG-CD1 3.97Å; L5-I9 WeakPolarHBondContact O-CG1 3.41Å; L5-I9 PolarHBondContact O-N 3.23Å; I9-D12 PolarHBondContact O-N 3.12Å; I9-L13 HydrophobicContact CG2-CD1 3.9Å; I9-L13 WeakPolarHBondContact O-CD1 3.2Å; I9-L13 WeakPolarHBondContact O-CG 3.49Å; I9-L13 PolarHBondContact O-N 3.2Å; I9-F44 HydrophobicContact CB-CE2 4.38Å; I9-F44 HydrophobicContact CG2-CE2 3.91Å; I9-F44 HydrophobicContact CG2-CZ 3.61Å; I9-F62 HydrophobicContact CD1-CE2 4.17Å; I9-F62 HydrophobicContact CG2-CE1 4.36Å; I9-F62 HydrophobicContact CG2-CE2 4.1Å; I9-F62 HydrophobicContact CG2-CZ 3.51Å; I9-L70 HydrophobicContact CG1-CD2 4.45Å; I9-L70 HydrophobicContact CG2-CD1 4.38Å; I9-M73 HydrophobicContact CG1-CE 4.43Å; I9-L74 HydrophobicContact CD1-CD2 3.75Å; I9-L74 HydrophobicContact CD1-CG 4.26Å |
| 10 | D | 94.6 | Very high | 90 | Very high | 10 Ų | 10 | 65.1 Ų | 65.1 | 5% | 0.053 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 176.4 | 179.5 | 65.5 | 0 | 0 | 0 | 112.7 | L6 A7 R8 D12 L13 F39 A40 R41 | L6-D10 WeakPolarHBondContact O-CB 3.26Å; L6-D10 PolarHBondContact O-N 3Å; A7-D10 WeakPolarHBondContact O-CB 3.46Å; A7-D10 PolarHBondContact O-N 3.49Å; R8-D10 VanDerWaalsContact C-N 3.3Å; R8-D10 PolarHBondContact O-N 2.66Å; D10-D12 PolarHBondContact O-N 3.48Å; D10-L13 PolarHBondContact O-N 3.39Å; D10-F39 WeakPolarHBondContact OD1-CB 3.49Å; D10-A40 HydrophobicContact CB-CB 4.21Å; D10-A40 WeakPolarHBondContact OD1-CA 3.23Å; D10-A40 WeakPolarHBondContact OD1-CB 3.15Å; D10-A40 PolarHBondContact OD1-N 3.38Å; D10-R41 HydrophobicContact CB-CB 4.21Å; D10-R41 PolarHBondContact OD1-N 2.69Å; D10-R41 WeakPolarHBondContact OD2-CD 3.45Å; D10-R41 WeakPolarHBondContact OD2-CG 3.19Å; D10-R41 IonicContact OD2-CZ 3.97Å; D10-R41 IonicContact OD2-NE 3.19Å; D10-R41 IonicContact OD2-NH1 3.37Å; D10-R41 PolarHBondContact OD2-NH1 2.92Å |
| 11 | D | 93.3 | Very high | 90.2 | Very high | 126 Ų | 126 | 62 Ų | 62 | 67% | 0.674 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -64.8 | -27.2 | 177 | -68.2 | -29.6 | 0 | 0 | 0 | 112.9 | A7 R8 | A7-D11 PolarHBondContact O-N 3.21Å; R8-D11 PolarHBondContact O-N 3.14Å |
| 12 | D | 93.6 | Very high | 91.4 | Very high | 80 Ų | 80 | 58.9 Ų | 58.9 | 43% | 0.428 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 4.2 | -177.6 | -76.9 | -31 | 0 | 0 | 0 | 113.6 | R8 I9 D10 R67 L70 | R8-D12 PolarHBondContact O-N 3.02Å; I9-D12 PolarHBondContact O-N 3.12Å; D10-D12 PolarHBondContact O-N 3.48Å; D12-R67 VanDerWaalsContact O-CZ 3.28Å; D12-R67 PolarHBondContact O-NH1 3.13Å; D12-R67 PolarHBondContact O-NH2 2.83Å; D12-L70 HydrophobicContact CB-CD2 3.78Å |
| 13 | L | 93.9 | Very high | 92.1 | Very high | 18 Ų | 18 | 56.3 Ų | 56.3 | 9% | 0.094 | 29% | 0.29 | C | S | . | . | trans | -110.5 | 126.9 | 178.7 | -76 | 163.9 | 0 | 0 | 0 | 111.6 | I9 D10 E17 V18 L21 A40 F44 F62 L70 | I9-L13 HydrophobicContact CG2-CD1 3.9Å; I9-L13 WeakPolarHBondContact O-CD1 3.2Å; I9-L13 WeakPolarHBondContact O-CG 3.49Å; I9-L13 PolarHBondContact O-N 3.2Å; D10-L13 PolarHBondContact O-N 3.39Å; L13-E17 WeakPolarHBondContact CA-OE2 3.35Å; L13-E17 HydrophobicContact CD2-CB 3.73Å; L13-V18 HydrophobicContact CB-CG2 4.12Å; L13-L21 HydrophobicContact CD1-CD1 3.69Å; L13-L21 HydrophobicContact CD2-CD1 4.06Å; L13-A40 HydrophobicContact CB-CB 4.4Å; L13-A40 HydrophobicContact CD1-CB 3.52Å; L13-F44 HydrophobicContact CD1-CZ 4.4Å; L13-F62 HydrophobicContact CD1-CE1 4.42Å; L13-L70 HydrophobicContact CD1-CD1 4.26Å; L13-L70 HydrophobicContact CD2-CD1 3.7Å; L13-L70 HydrophobicContact CG-CD1 3.86Å | ||
| 14 | D | 93.6 | Very high | 92.4 | Very high | 58 Ų | 58 | 50.1 Ų | 50.1 | 31% | 0.31 | 27% | 0.267 | S | S | . | . | trans | -81.4 | 169.9 | 173.9 | 90.7 | 12.2 | 0 | 0 | 0 | 112.5 | R16 E17 V18 | D14-R16 PolarHBondContact O-N 3.32Å; D14-R16 WeakPolarHBondContact OD1-CA 3.41Å; D14-R16 VanDerWaalsContact OD1-CB 3.29Å; D14-R16 WeakPolarHBondContact OD1-CB 3.23Å; D14-R16 PolarHBondContact OD1-N 2.59Å; D14-R16 IonicContact OD1-NE 2.88Å; D14-R16 IonicContact OD2-CZ 2.67Å; D14-R16 IonicContact OD2-NE 2.68Å; D14-R16 PolarHBondContact OD2-NE 3.26Å; D14-R16 IonicContact OD2-NH2 3.82Å; D14-R16 PolarHBondContact OD2-NH2 2.9Å; D14-E17 PolarHBondContact N-OE2 3.24Å; D14-E17 PolarHBondContact O-N 3.17Å; D14-E17 PolarHBondContact OD1-N 3.25Å; D14-V18 VanDerWaalsContact O-CG2 3.32Å; D14-V18 WeakPolarHBondContact O-CG2 3.4Å; D14-V18 PolarHBondContact O-N 3.16Å | ||
| 15 | S | 90.8 | Very high | 92.6 | Very high | 98 Ų | 98 | 45.9 Ų | 45.9 | 69% | 0.685 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -65.8 | -23.4 | -176.8 | 58.9 | 0 | 0 | 0 | 0 | 114.4 | A19 | S15-A19 PolarHBondContact O-N 3.29Å |
| 16 | R | 90.3 | Very high | 92.6 | Very high | 175 Ų | 175 | 46.9 Ų | 46.9 | 66% | 0.66 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -76.7 | -45 | 174.5 | -65 | 174.5 | -70.3 | -179.2 | 0.4 | 109.9 | D14 V18 A19 E20 | D14-R16 PolarHBondContact O-N 3.32Å; D14-R16 WeakPolarHBondContact OD1-CA 3.41Å; D14-R16 VanDerWaalsContact OD1-CB 3.29Å; D14-R16 WeakPolarHBondContact OD1-CB 3.23Å; D14-R16 PolarHBondContact OD1-N 2.59Å; D14-R16 IonicContact OD1-NE 2.88Å; D14-R16 IonicContact OD2-CZ 2.67Å; D14-R16 IonicContact OD2-NE 2.68Å; D14-R16 PolarHBondContact OD2-NE 3.26Å; D14-R16 IonicContact OD2-NH2 3.82Å; D14-R16 PolarHBondContact OD2-NH2 2.9Å; R16-V18 VanDerWaalsContact C-N 3.32Å; R16-V18 PolarHBondContact O-N 2.9Å; R16-A19 WeakPolarHBondContact O-CA 3.41Å; R16-A19 WeakPolarHBondContact O-CB 3.38Å; R16-A19 PolarHBondContact O-N 2.92Å; R16-E20 WeakPolarHBondContact O-CG 3.31Å; R16-E20 PolarHBondContact O-N 2.98Å |
| 17 | E | 92.8 | Very high | 92.4 | Very high | 40 Ų | 40 | 50.2 Ų | 50.2 | 19% | 0.187 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 177.2 | -62.7 | 175.6 | 122.6 | 0 | 0 | 111.4 | L13 D14 A19 E20 L21 R67 | L13-E17 WeakPolarHBondContact CA-OE2 3.35Å; L13-E17 HydrophobicContact CD2-CB 3.73Å; D14-E17 PolarHBondContact N-OE2 3.24Å; D14-E17 PolarHBondContact O-N 3.17Å; D14-E17 PolarHBondContact OD1-N 3.25Å; E17-A19 VanDerWaalsContact C-N 3.3Å; E17-A19 PolarHBondContact O-N 2.71Å; E17-E20 WeakPolarHBondContact O-CB 3.26Å; E17-E20 PolarHBondContact O-N 2.76Å; E17-L21 VanDerWaalsContact O-CG 3.29Å; E17-L21 WeakPolarHBondContact O-CG 3.27Å; E17-L21 PolarHBondContact O-N 3.35Å; E17-R67 VanDerWaalsContact OE1-CD 3.27Å; E17-R67 WeakPolarHBondContact OE1-CD 3.49Å; E17-R67 IonicContact OE1-CZ 2.96Å; E17-R67 IonicContact OE1-NE 3.18Å; E17-R67 IonicContact OE1-NH1 3.57Å; E17-R67 PolarHBondContact OE1-NH1 3.37Å; E17-R67 IonicContact OE2-NH1 2.8Å; E17-R67 PolarHBondContact OE2-NH1 3.02Å |
| 18 | V | 93.8 | Very high | 92.1 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 172.2 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | L13 D14 R16 L21 C22 I37 A40 | L13-V18 HydrophobicContact CB-CG2 4.12Å; D14-V18 VanDerWaalsContact O-CG2 3.32Å; D14-V18 WeakPolarHBondContact O-CG2 3.4Å; D14-V18 PolarHBondContact O-N 3.16Å; R16-V18 VanDerWaalsContact C-N 3.32Å; R16-V18 PolarHBondContact O-N 2.9Å; V18-L21 PolarHBondContact O-N 3.08Å; V18-C22 WeakPolarHBondContact O-CB 3.1Å; V18-C22 PolarHBondContact O-N 2.96Å; V18-C22 PolarHBondContact O-SG 3.4Å; V18-I37 HydrophobicContact CG1-CG2 4.01Å; V18-A40 HydrophobicContact CG2-CB 4.03Å |
| 19 | A | 92.1 | Very high | 91.9 | Very high | 52 Ų | 52 | 41.7 Ų | 41.7 | 43% | 0.43 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.6 | -37.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S15 R16 E17 C22 F23 | S15-A19 PolarHBondContact O-N 3.29Å; R16-A19 WeakPolarHBondContact O-CA 3.41Å; R16-A19 WeakPolarHBondContact O-CB 3.38Å; R16-A19 PolarHBondContact O-N 2.92Å; E17-A19 VanDerWaalsContact C-N 3.3Å; E17-A19 PolarHBondContact O-N 2.71Å; A19-C22 WeakPolarHBondContact O-CB 3.5Å; A19-C22 PolarHBondContact O-N 3.47Å; A19-F23 PolarHBondContact O-N 2.88Å |
| 20 | E | 94.4 | Very high | 91.5 | Very high | 38 Ų | 38 | 45.3 Ų | 45.3 | 18% | 0.178 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.6 | -45.8 | 173.1 | -73.4 | 174 | -152.7 | 0 | 0 | 112.2 | R16 E17 C22 F23 L24 T65 Y99 L133 | R16-E20 WeakPolarHBondContact O-CG 3.31Å; R16-E20 PolarHBondContact O-N 2.98Å; E17-E20 WeakPolarHBondContact O-CB 3.26Å; E17-E20 PolarHBondContact O-N 2.76Å; E20-C22 VanDerWaalsContact C-N 3.31Å; E20-C22 PolarHBondContact O-N 3.19Å; E20-F23 WeakPolarHBondContact O-CB 3.44Å; E20-F23 PolarHBondContact O-N 3.49Å; E20-L24 WeakPolarHBondContact O-CG 3.46Å; E20-L24 PolarHBondContact O-N 3.26Å; E20-T65 HydrophobicContact CB-CG2 4.48Å; E20-Y99 HydrophobicContact CB-CE2 3.98Å; E20-Y99 HydrophobicContact CG-CE2 4.03Å; E20-Y99 PolarHBondContact OE2-OH 3.49Å; E20-L133 HydrophobicContact CB-CD1 4.47Å; E20-L133 HydrophobicContact CG-CD1 3.89Å |
| 21 | L | 94.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 174.9 | -66.3 | 176.9 | 0 | 0 | 0 | 111.5 | L13 E17 V18 L24 C25 L43 L61 F62 T65 | L13-L21 HydrophobicContact CD1-CD1 3.69Å; L13-L21 HydrophobicContact CD2-CD1 4.06Å; E17-L21 VanDerWaalsContact O-CG 3.29Å; E17-L21 WeakPolarHBondContact O-CG 3.27Å; E17-L21 PolarHBondContact O-N 3.35Å; V18-L21 PolarHBondContact O-N 3.08Å; L21-L24 PolarHBondContact O-N 3.22Å; L21-C25 WeakPolarHBondContact O-CB 3.26Å; L21-C25 PolarHBondContact O-N 2.86Å; L21-C25 PolarHBondContact O-SG 3.1Å; L21-L43 HydrophobicContact CB-CD2 3.65Å; L21-L61 HydrophobicContact CD2-CB 3.8Å; L21-L61 HydrophobicContact CD2-CD1 4.39Å; L21-L61 HydrophobicContact CD2-CD2 3.98Å; L21-L61 HydrophobicContact CD2-CG 4.29Å; L21-F62 HydrophobicContact CD1-CE1 4.21Å; L21-F62 HydrophobicContact CD2-CD1 4.44Å; L21-F62 HydrophobicContact CD2-CE1 4.37Å; L21-T65 HydrophobicContact CD2-CG2 3.83Å |
| 22 | C | 93.4 | Very high | 90.5 | Very high | 13 Ų | 13 | 50.8 Ų | 50.8 | 9% | 0.088 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 174.5 | -70 | 0 | 0 | 0 | 0 | 111.7 | V18 A19 E20 C25 S26 L34 | V18-C22 WeakPolarHBondContact O-CB 3.1Å; V18-C22 PolarHBondContact O-N 2.96Å; V18-C22 PolarHBondContact O-SG 3.4Å; A19-C22 WeakPolarHBondContact O-CB 3.5Å; A19-C22 PolarHBondContact O-N 3.47Å; E20-C22 VanDerWaalsContact C-N 3.31Å; E20-C22 PolarHBondContact O-N 3.19Å; C22-C25 PolarHBondContact O-N 3.27Å; C22-S26 PolarHBondContact O-N 2.98Å; C22-S26 PolarHBondContact O-OG 3.16Å; C22-L34 HydrophobicContact CB-CD2 4.1Å; C22-L34 WeakPolarHBondContact O-CD1 3.29Å |
| 23 | F | 94.1 | Very high | 90.2 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.6 | -49.6 | 175.1 | 176.3 | -88.7 | 0 | 0 | 0 | 111.1 | A19 E20 C25 S26 R95 L98 L133 F136 | A19-F23 PolarHBondContact O-N 2.88Å; E20-F23 WeakPolarHBondContact O-CB 3.44Å; E20-F23 PolarHBondContact O-N 3.49Å; F23-C25 PolarHBondContact O-N 2.78Å; F23-S26 WeakPolarHBondContact O-CB 3.41Å; F23-S26 PolarHBondContact O-N 3.24Å; F23-S26 VanDerWaalsContact O-N 3.11Å; F23-S26 PolarHBondContact O-OG 3.47Å; F23-S26 VanDerWaalsContact O-OG 3.05Å; F23-R95 WeakPolarHBondContact O-CD 3.49Å; F23-L98 HydrophobicContact CE1-CB 3.98Å; F23-L98 HydrophobicContact CZ-CB 3.72Å; F23-L98 HydrophobicContact CZ-CD1 3.73Å; F23-L98 HydrophobicContact CZ-CG 4.39Å; F23-L133 HydrophobicContact CB-CD1 4.18Å; F23-L133 HydrophobicContact CD1-CD1 4.19Å; F23-L133 HydrophobicContact CD1-CD2 3.69Å; F23-L133 HydrophobicContact CD1-CG 4.4Å; F23-L133 HydrophobicContact CD2-CB 3.95Å; F23-L133 HydrophobicContact CD2-CD2 4.22Å; F23-L133 HydrophobicContact CE1-CD2 3.57Å; F23-L133 HydrophobicContact CE2-CB 4.25Å; F23-L133 HydrophobicContact CE2-CD2 4.1Å; F23-L133 HydrophobicContact CG-CB 4.18Å; F23-L133 HydrophobicContact CG-CD1 4.09Å; F23-L133 HydrophobicContact CG-CD2 4.03Å; F23-L133 HydrophobicContact CG-CG 4.33Å; F23-L133 HydrophobicContact CZ-CD2 3.77Å; F23-F136 HydrophobicContact CE2-CB 4.36Å |
| 24 | L | 92.7 | Very high | 89.9 | Confident | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.4 | -33.3 | 178.8 | -69.3 | 173.8 | 0 | 0 | 0 | 112.3 | E20 L21 S26 L61 T64 T65 L91 R95 Y99 | E20-L24 WeakPolarHBondContact O-CG 3.46Å; E20-L24 PolarHBondContact O-N 3.26Å; L21-L24 PolarHBondContact O-N 3.22Å; L24-S26 VanDerWaalsContact C-N 3.31Å; L24-S26 PolarHBondContact O-N 3.02Å; L24-L61 HydrophobicContact CB-CD2 3.71Å; L24-L61 HydrophobicContact CD1-CD2 3.98Å; L24-T64 HydrophobicContact CD1-CG2 3.71Å; L24-T64 HydrophobicContact CD2-CG2 4.01Å; L24-T65 HydrophobicContact CD1-CG2 3.88Å; L24-L91 HydrophobicContact CB-CD1 4.37Å; L24-L91 HydrophobicContact CB-CD2 4.06Å; L24-L91 HydrophobicContact CD1-CD1 4.27Å; L24-L91 HydrophobicContact CD2-CD1 4.39Å; L24-R95 HydrophobicContact CD2-CB 4.33Å; L24-Y99 HydrophobicContact CD1-CD2 4.21Å; L24-Y99 HydrophobicContact CD1-CE2 4.32Å; L24-Y99 HydrophobicContact CD2-CD2 3.88Å; L24-Y99 HydrophobicContact CD2-CG 3.96Å; L24-Y99 HydrophobicContact CG-CD2 4.08Å |
| 25 | C | 91.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -83.3 | 3.9 | 178.3 | -64 | 0 | 0 | 0 | 0 | 114.7 | L21 C22 F23 D27 V28 I29 L43 L47 | L21-C25 WeakPolarHBondContact O-CB 3.26Å; L21-C25 PolarHBondContact O-N 2.86Å; L21-C25 PolarHBondContact O-SG 3.1Å; C22-C25 PolarHBondContact O-N 3.27Å; F23-C25 PolarHBondContact O-N 2.78Å; C25-D27 PolarHBondContact O-N 3.06Å; C25-D27 VanDerWaalsContact O-N 3.15Å; C25-V28 PolarHBondContact O-N 3.43Å; C25-I29 HydrophobicContact CB-CD1 4.41Å; C25-I29 PolarHBondContact O-N 3.27Å; C25-L43 HydrophobicContact CB-CD1 4.19Å; C25-L47 HydrophobicContact CB-CD2 4.47Å |
| 26 | S | 89.5 | Confident | 89.4 | Confident | 37 Ų | 37 | 55 Ų | 55 | 26% | 0.259 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -67.1 | -14.9 | -173.4 | -68 | 0 | 0 | 0 | 0 | 115.3 | C22 F23 L24 L34 | C22-S26 PolarHBondContact O-N 2.98Å; C22-S26 PolarHBondContact O-OG 3.16Å; F23-S26 WeakPolarHBondContact O-CB 3.41Å; F23-S26 PolarHBondContact O-N 3.24Å; F23-S26 VanDerWaalsContact O-N 3.11Å; F23-S26 PolarHBondContact O-OG 3.47Å; F23-S26 VanDerWaalsContact O-OG 3.05Å; L24-S26 VanDerWaalsContact C-N 3.31Å; L24-S26 PolarHBondContact O-N 3.02Å; S26-L34 WeakPolarHBondContact OG-CD1 3.29Å |
| 27 | D | 85.6 | Confident | 89.4 | Confident | 77 Ų | 77 | 47.7 Ų | 47.7 | 41% | 0.412 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -87.4 | -13.6 | 173.5 | -63 | -10.7 | 0 | 0 | 0 | 112.5 | C25 S92 R95 | C25-D27 PolarHBondContact O-N 3.06Å; C25-D27 VanDerWaalsContact O-N 3.15Å; D27-S92 VanDerWaalsContact OD2-CB 3.24Å; D27-S92 WeakPolarHBondContact OD2-CB 3.06Å; D27-S92 PolarHBondContact OD2-OG 2.78Å; D27-R95 IonicContact OD1-CZ 3.83Å; D27-R95 VanDerWaalsContact OD1-CZ 3.32Å; D27-R95 IonicContact OD1-NE 3.57Å; D27-R95 PolarHBondContact OD1-NE 3.44Å; D27-R95 IonicContact OD1-NH2 2.85Å; D27-R95 PolarHBondContact OD1-NH2 3.11Å; D27-R95 VanDerWaalsContact OD2-CG 3.25Å; D27-R95 WeakPolarHBondContact OD2-CG 3.32Å; D27-R95 IonicContact OD2-NE 3.4Å |
| 28 | V | 85.3 | Confident | 89.4 | Confident | 29 Ų | 29 | 53.5 Ų | 53.5 | 18% | 0.176 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -42.4 | -174.8 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | C25 L47 F52 | C25-V28 PolarHBondContact O-N 3.43Å; V28-L47 HydrophobicContact CG1-CD2 4.1Å; V28-F52 HydrophobicContact CG1-CB 3.9Å; V28-F52 HydrophobicContact CG1-CD1 3.77Å; V28-F52 HydrophobicContact CG1-CD2 3.26Å; V28-F52 HydrophobicContact CG1-CE1 4.06Å; V28-F52 HydrophobicContact CG1-CE2 3.59Å; V28-F52 HydrophobicContact CG1-CG 3.35Å; V28-F52 HydrophobicContact CG1-CZ 3.98Å; V28-F52 HydrophobicContact CG2-CD1 4.06Å; V28-F52 HydrophobicContact CG2-CE1 3.98Å; V28-F52 HydrophobicContact CG2-CG 4.48Å; V28-F52 HydrophobicContact CG2-CZ 4.36Å |
| 29 | I | 86.3 | Confident | 89.4 | Confident | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -109.3 | 138.1 | 179.7 | -60 | 168.7 | 0 | 0 | 0 | 108.3 | C25 Q33 L34 L43 K46 L47 | C25-I29 HydrophobicContact CB-CD1 4.41Å; C25-I29 PolarHBondContact O-N 3.27Å; I29-Q33 HydrophobicContact CG2-CB 3.76Å; I29-L34 HydrophobicContact CB-CD1 4.22Å; I29-L34 HydrophobicContact CB-CD2 3.78Å; I29-L34 HydrophobicContact CB-CG 3.93Å; I29-L34 HydrophobicContact CD1-CD2 4.06Å; I29-L34 HydrophobicContact CG2-CD1 4.48Å; I29-L34 HydrophobicContact CG2-CD2 3.74Å; I29-L34 HydrophobicContact CG2-CG 3.73Å; I29-L34 WeakPolarHBondContact O-CD1 3.36Å; I29-L43 HydrophobicContact CD1-CD1 3.49Å; I29-L43 VanDerWaalsContact CD1-CD1 3.49Å; I29-K46 HydrophobicContact CD1-CB 3.65Å; I29-K46 HydrophobicContact CG1-CB 4.34Å; I29-K46 HydrophobicContact CG2-CB 4.37Å; I29-L47 HydrophobicContact CD1-CD2 3.62Å; I29-L47 HydrophobicContact CD1-CG 3.8Å; I29-L47 HydrophobicContact CG1-CD2 4.17Å |
| 30 | N | 85.3 | Confident | 89.5 | Confident | 75 Ų | 75 | 55.2 Ų | 55.2 | 40% | 0.401 | 26% | 0.261 | S | S | . | . | trans | -66.8 | 146.5 | 179.9 | 75.2 | 53.8 | 0 | 0 | 0 | 110.9 | K32 Q33 L34 | N30-K32 VanDerWaalsContact C-N 3.29Å; N30-K32 PolarHBondContact O-N 3.11Å; N30-K32 PolarHBondContact OD1-N 2.92Å; N30-Q33 PolarHBondContact ND2-OE1 2.73Å; N30-Q33 WeakPolarHBondContact O-CB 3.25Å; N30-Q33 PolarHBondContact O-N 3.34Å; N30-Q33 VanDerWaalsContact O-N 3.08Å; N30-Q33 WeakPolarHBondContact OD1-CB 3.13Å; N30-Q33 WeakPolarHBondContact OD1-CG 3.45Å; N30-Q33 PolarHBondContact OD1-N 2.87Å; N30-L34 PolarHBondContact O-N 3.43Å; N30-L34 VanDerWaalsContact O-N 3.16Å | ||
| 31 | R | 82.3 | Confident | 89.5 | Confident | 84 Ų | 84 | 58.5 Ų | 58.5 | 32% | 0.317 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -56.2 | -38.8 | -175 | -176.9 | 176.8 | 170.1 | 152.3 | 6.5 | 114.2 | Q33 L34 E35 A137 E138 | R31-Q33 VanDerWaalsContact C-N 3.29Å; R31-Q33 PolarHBondContact O-N 3.42Å; R31-L34 PolarHBondContact O-N 3.28Å; R31-L34 VanDerWaalsContact O-N 3.15Å; R31-E35 HydrophobicContact CG-CG 4.48Å; R31-E35 IonicContact CZ-OE1 3.98Å; R31-E35 IonicContact NE-OE1 2.71Å; R31-E35 PolarHBondContact NE-OE1 3.04Å; R31-E35 IonicContact NH2-OE1 2.61Å; R31-E35 WeakPolarHBondContact O-CG 3.28Å; R31-E35 PolarHBondContact O-N 2.96Å; R31-A137 PolarHBondContact NH1-O 3.36Å; R31-E138 IonicContact CZ-OE1 3.85Å; R31-E138 IonicContact NH2-OE1 3.96Å; R31-E138 PolarHBondContact NH2-OE1 3.25Å |
| 32 | K | 85.2 | Confident | 89.5 | Confident | 168 Ų | 168 | 61.3 Ų | 61.3 | 73% | 0.73 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.5 | -39.7 | 179.5 | -69.5 | -174.4 | 178.9 | -178.8 | 0 | 111.7 | N30 | N30-K32 VanDerWaalsContact C-N 3.29Å; N30-K32 PolarHBondContact O-N 3.11Å; N30-K32 PolarHBondContact OD1-N 2.92Å |
| 33 | Q | 87.1 | Confident | 89.6 | Confident | 47 Ų | 47 | 60.7 Ų | 60.7 | 22% | 0.22 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.5 | -36.4 | 176.1 | -73.1 | 174.8 | -32.9 | 0 | 0 | 111.8 | I29 N30 R31 E36 | I29-Q33 HydrophobicContact CG2-CB 3.76Å; N30-Q33 PolarHBondContact ND2-OE1 2.73Å; N30-Q33 WeakPolarHBondContact O-CB 3.25Å; N30-Q33 PolarHBondContact O-N 3.34Å; N30-Q33 VanDerWaalsContact O-N 3.08Å; N30-Q33 WeakPolarHBondContact OD1-CB 3.13Å; N30-Q33 WeakPolarHBondContact OD1-CG 3.45Å; N30-Q33 PolarHBondContact OD1-N 2.87Å; R31-Q33 VanDerWaalsContact C-N 3.29Å; R31-Q33 PolarHBondContact O-N 3.42Å; Q33-E36 PolarHBondContact O-N 2.95Å |
| 34 | L | 87.9 | Confident | 89.6 | Confident | 15 Ų | 15 | 60.2 Ų | 60.2 | 8% | 0.079 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.9 | -33.5 | 178.3 | -67.8 | 172.1 | 0 | 0 | 0 | 112.9 | C22 S26 I29 N30 R31 E36 I37 L43 | C22-L34 HydrophobicContact CB-CD2 4.1Å; C22-L34 WeakPolarHBondContact O-CD1 3.29Å; S26-L34 WeakPolarHBondContact OG-CD1 3.29Å; I29-L34 HydrophobicContact CB-CD1 4.22Å; I29-L34 HydrophobicContact CB-CD2 3.78Å; I29-L34 HydrophobicContact CB-CG 3.93Å; I29-L34 HydrophobicContact CD1-CD2 4.06Å; I29-L34 HydrophobicContact CG2-CD1 4.48Å; I29-L34 HydrophobicContact CG2-CD2 3.74Å; I29-L34 HydrophobicContact CG2-CG 3.73Å; I29-L34 WeakPolarHBondContact O-CD1 3.36Å; N30-L34 PolarHBondContact O-N 3.43Å; N30-L34 VanDerWaalsContact O-N 3.16Å; R31-L34 PolarHBondContact O-N 3.28Å; R31-L34 VanDerWaalsContact O-N 3.15Å; L34-E36 PolarHBondContact O-N 3.39Å; L34-I37 HydrophobicContact CD2-CD1 3.65Å; L34-I37 PolarHBondContact O-N 2.78Å; L34-L43 HydrophobicContact CD2-CD1 3.82Å |
| 35 | E | 85.1 | Confident | 89.6 | Confident | 128 Ų | 128 | 63 Ų | 63 | 60% | 0.598 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -19.7 | 176.7 | -73.1 | 173.8 | -171.7 | 0 | 0 | 113.2 | R31 | R31-E35 HydrophobicContact CG-CG 4.48Å; R31-E35 IonicContact CZ-OE1 3.98Å; R31-E35 IonicContact NE-OE1 2.71Å; R31-E35 PolarHBondContact NE-OE1 3.04Å; R31-E35 IonicContact NH2-OE1 2.61Å; R31-E35 WeakPolarHBondContact O-CG 3.28Å; R31-E35 PolarHBondContact O-N 2.96Å |
| 36 | E | 88.1 | Confident | 89.6 | Confident | 151 Ų | 151 | 65.4 Ų | 65.4 | 71% | 0.706 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -14.6 | 178.3 | -66.1 | 179.2 | 171.7 | 0 | 0 | 113.5 | Q33 L34 | Q33-E36 PolarHBondContact O-N 2.95Å; L34-E36 PolarHBondContact O-N 3.39Å |
| 37 | I | 91.6 | Very high | 89.6 | Confident | 23 Ų | 23 | 63.6 Ų | 63.6 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | trans | -74.5 | 128.2 | -176 | -69.1 | 171.3 | 0 | 0 | 0 | 110.2 | V18 L34 F39 D42 L43 K46 | V18-I37 HydrophobicContact CG1-CG2 4.01Å; L34-I37 HydrophobicContact CD2-CD1 3.65Å; L34-I37 PolarHBondContact O-N 2.78Å; I37-F39 WeakPolarHBondContact CG2-O 3.29Å; I37-D42 HydrophobicContact CG1-CB 4.25Å; I37-D42 HydrophobicContact CG2-CB 4.21Å; I37-L43 HydrophobicContact CD1-CB 3.99Å; I37-L43 HydrophobicContact CD1-CD1 3.71Å; I37-L43 HydrophobicContact CD1-CG 4.48Å; I37-L43 HydrophobicContact CG2-CB 4.11Å; I37-K46 HydrophobicContact CD1-CG 4.45Å | ||
| 38 | K | 91 | Very high | 89.7 | Confident | 161 Ų | 161 | 63.4 Ų | 63.4 | 70% | 0.7 | 29% | 0.292 | S | S | * | . | trans | -116.6 | -29.3 | 175.4 | -65.7 | -177.5 | -177.6 | 177.6 | 0 | 112.8 | D42 | K38-D42 PolarHBondContact N-OD2 3.14Š| ||
| 39 | F | 94.8 | Very high | 89.8 | Confident | 97 Ų | 97 | 67.4 Ų | 67.4 | 43% | 0.425 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -122.5 | 151.2 | -178.5 | -57.1 | -81.7 | 0 | 0 | 0 | 110.3 | D10 I37 R41 D42 L43 | D10-F39 WeakPolarHBondContact OD1-CB 3.49Å; I37-F39 WeakPolarHBondContact CG2-O 3.29Å; F39-R41 HydrophobicContact CB-CG 3.77Å; F39-R41 VanDerWaalsContact CG-NH2 3.27Å; F39-R41 PolarHBondContact O-N 3.48Å; F39-D42 PolarHBondContact N-OD2 3.11Å; F39-D42 VanDerWaalsContact N-OD2 3.08Å; F39-D42 WeakPolarHBondContact O-CB 3.48Å; F39-D42 PolarHBondContact O-N 2.88Å; F39-L43 PolarHBondContact O-N 3.45Å |
| 40 | A | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -60.5 | -33.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | D10 L13 V18 D42 L43 F44 | D10-A40 HydrophobicContact CB-CB 4.21Å; D10-A40 WeakPolarHBondContact OD1-CA 3.23Å; D10-A40 WeakPolarHBondContact OD1-CB 3.15Å; D10-A40 PolarHBondContact OD1-N 3.38Å; L13-A40 HydrophobicContact CB-CB 4.4Å; L13-A40 HydrophobicContact CD1-CB 3.52Å; V18-A40 HydrophobicContact CG2-CB 4.03Å; A40-D42 PolarHBondContact O-N 2.92Å; A40-L43 CarbonylContact O-C 3.6Å; A40-L43 WeakPolarHBondContact O-CA 3.44Å; A40-L43 WeakPolarHBondContact O-CB 3.5Å; A40-L43 PolarHBondContact O-N 3.15Å; A40-L43 VanDerWaalsContact O-N 3.1Å; A40-F44 HydrophobicContact CB-CE1 4.4Å; A40-F44 HydrophobicContact CB-CE2 3.81Å; A40-F44 HydrophobicContact CB-CZ 3.69Å; A40-F44 WeakPolarHBondContact O-CD1 3.44Å; A40-F44 VanDerWaalsContact O-CD2 3.27Å; A40-F44 WeakPolarHBondContact O-CD2 3.21Å; A40-F44 WeakPolarHBondContact O-CG 3.26Å; A40-F44 PolarHBondContact O-N 2.82Å |
| 41 | R | 93.9 | Very high | 89.3 | Confident | 107 Ų | 107 | 71.8 Ų | 71.8 | 40% | 0.404 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -57.1 | -35.8 | 173.3 | 63.1 | -179.6 | 176 | -104.3 | -1.4 | 113.2 | D10 F39 F44 V45 | D10-R41 HydrophobicContact CB-CB 4.21Å; D10-R41 PolarHBondContact OD1-N 2.69Å; D10-R41 WeakPolarHBondContact OD2-CD 3.45Å; D10-R41 WeakPolarHBondContact OD2-CG 3.19Å; D10-R41 IonicContact OD2-CZ 3.97Å; D10-R41 IonicContact OD2-NE 3.19Å; D10-R41 IonicContact OD2-NH1 3.37Å; D10-R41 PolarHBondContact OD2-NH1 2.92Å; F39-R41 HydrophobicContact CB-CG 3.77Å; F39-R41 VanDerWaalsContact CG-NH2 3.27Å; F39-R41 PolarHBondContact O-N 3.48Å; R41-F44 PolarHBondContact O-N 2.84Å; R41-V45 WeakPolarHBondContact O-CG2 3.27Å; R41-V45 PolarHBondContact O-N 3.35Å |
| 42 | D | 94.8 | Very high | 89.1 | Confident | 59 Ų | 59 | 71.5 Ų | 71.5 | 32% | 0.316 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -68.7 | -41.1 | 178.4 | -51.7 | -39.2 | 0 | 0 | 0 | 109.5 | I37 K38 F39 A40 V45 K46 | I37-D42 HydrophobicContact CG1-CB 4.25Å; I37-D42 HydrophobicContact CG2-CB 4.21Å; K38-D42 PolarHBondContact N-OD2 3.14Å; F39-D42 PolarHBondContact N-OD2 3.11Å; F39-D42 VanDerWaalsContact N-OD2 3.08Å; F39-D42 WeakPolarHBondContact O-CB 3.48Å; F39-D42 PolarHBondContact O-N 2.88Å; A40-D42 PolarHBondContact O-N 2.92Å; D42-V45 PolarHBondContact O-N 2.98Å; D42-K46 WeakPolarHBondContact O-CG 3.45Å; D42-K46 PolarHBondContact O-N 2.6Å; D42-K46 VanDerWaalsContact O-N 3.13Å |
| 43 | L | 94.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 172.5 | -179 | 63.6 | 0 | 0 | 0 | 111.9 | L21 C25 I29 L34 I37 F39 A40 V45 K46 L47 | L21-L43 HydrophobicContact CB-CD2 3.65Å; C25-L43 HydrophobicContact CB-CD1 4.19Å; I29-L43 HydrophobicContact CD1-CD1 3.49Å; I29-L43 VanDerWaalsContact CD1-CD1 3.49Å; L34-L43 HydrophobicContact CD2-CD1 3.82Å; I37-L43 HydrophobicContact CD1-CB 3.99Å; I37-L43 HydrophobicContact CD1-CD1 3.71Å; I37-L43 HydrophobicContact CD1-CG 4.48Å; I37-L43 HydrophobicContact CG2-CB 4.11Å; F39-L43 PolarHBondContact O-N 3.45Å; A40-L43 CarbonylContact O-C 3.6Å; A40-L43 WeakPolarHBondContact O-CA 3.44Å; A40-L43 WeakPolarHBondContact O-CB 3.5Å; A40-L43 PolarHBondContact O-N 3.15Å; A40-L43 VanDerWaalsContact O-N 3.1Å; L43-V45 VanDerWaalsContact C-N 3.33Å; L43-V45 PolarHBondContact O-N 2.88Å; L43-K46 PolarHBondContact O-N 2.8Å; L43-K46 VanDerWaalsContact O-N 3.12Å; L43-L47 HydrophobicContact CD1-CD1 4.46Å; L43-L47 HydrophobicContact CD1-CG 4.36Å; L43-L47 HydrophobicContact CG-CD1 4.05Å; L43-L47 HydrophobicContact CG-CG 4.39Å; L43-L47 WeakPolarHBondContact O-CG 3.38Å; L43-L47 PolarHBondContact O-N 3.05Å |
| 44 | F | 94.8 | Very high | 88.9 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62 | -41.2 | 178.9 | -57.2 | -30.5 | 0 | 0 | 0 | 111.9 | L6 I9 L13 A40 R41 K46 L47 E48 L53 L58 | L6-F44 HydrophobicContact CB-CD2 3.98Å; L6-F44 HydrophobicContact CB-CE2 4.42Å; L6-F44 HydrophobicContact CD2-CD2 3.9Å; L6-F44 HydrophobicContact CD2-CE2 4.23Å; L6-F44 HydrophobicContact CD2-CG 4.17Å; L6-F44 HydrophobicContact CG-CD2 4.4Å; I9-F44 HydrophobicContact CB-CE2 4.38Å; I9-F44 HydrophobicContact CG2-CE2 3.91Å; I9-F44 HydrophobicContact CG2-CZ 3.61Å; L13-F44 HydrophobicContact CD1-CZ 4.4Å; A40-F44 HydrophobicContact CB-CE1 4.4Å; A40-F44 HydrophobicContact CB-CE2 3.81Å; A40-F44 HydrophobicContact CB-CZ 3.69Å; A40-F44 WeakPolarHBondContact O-CD1 3.44Å; A40-F44 VanDerWaalsContact O-CD2 3.27Å; A40-F44 WeakPolarHBondContact O-CD2 3.21Å; A40-F44 WeakPolarHBondContact O-CG 3.26Å; A40-F44 PolarHBondContact O-N 2.82Å; R41-F44 PolarHBondContact O-N 2.84Å; F44-K46 VanDerWaalsContact C-N 3.32Å; F44-K46 PolarHBondContact O-N 3.46Å; F44-L47 HydrophobicContact CD1-CD1 4.44Å; F44-L47 PolarHBondContact O-N 2.69Å; F44-E48 WeakPolarHBondContact O-CB 3.36Å; F44-E48 PolarHBondContact O-N 3.16Å; F44-L53 HydrophobicContact CB-CD1 3.98Å; F44-L53 HydrophobicContact CB-CD2 4.29Å; F44-L53 HydrophobicContact CD1-CD1 4.1Å; F44-L53 HydrophobicContact CG-CD1 4.29Å; F44-L58 HydrophobicContact CD1-CD2 4.02Å; F44-L58 HydrophobicContact CE1-CD2 3.74Å |
| 45 | V | 92.8 | Very high | 88.6 | Confident | 60 Ų | 60 | 65.2 Ų | 65.2 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 173.6 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | R41 D42 L43 E48 E49 | R41-V45 WeakPolarHBondContact O-CG2 3.27Å; R41-V45 PolarHBondContact O-N 3.35Å; D42-V45 PolarHBondContact O-N 2.98Å; L43-V45 VanDerWaalsContact C-N 3.33Å; L43-V45 PolarHBondContact O-N 2.88Å; V45-E48 WeakPolarHBondContact O-CB 3.48Å; V45-E48 PolarHBondContact O-N 2.54Å; V45-E49 WeakPolarHBondContact O-CG 3.43Å; V45-E49 PolarHBondContact O-N 3.01Å |
| 46 | K | 92 | Very high | 88.2 | Confident | 51 Ų | 51 | 60.1 Ų | 60.1 | 22% | 0.222 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67 | -38.1 | 177.5 | -66.2 | -45.9 | -176.7 | -167.1 | 0 | 113.7 | I29 I37 D42 L43 F44 E48 E49 K50 | I29-K46 HydrophobicContact CD1-CB 3.65Å; I29-K46 HydrophobicContact CG1-CB 4.34Å; I29-K46 HydrophobicContact CG2-CB 4.37Å; I37-K46 HydrophobicContact CD1-CG 4.45Å; D42-K46 WeakPolarHBondContact O-CG 3.45Å; D42-K46 PolarHBondContact O-N 2.6Å; D42-K46 VanDerWaalsContact O-N 3.13Å; L43-K46 PolarHBondContact O-N 2.8Å; L43-K46 VanDerWaalsContact O-N 3.12Å; F44-K46 VanDerWaalsContact C-N 3.32Å; F44-K46 PolarHBondContact O-N 3.46Å; K46-E48 VanDerWaalsContact C-N 3.29Å; K46-E48 PolarHBondContact O-N 2.81Å; K46-E49 WeakPolarHBondContact CD-OE2 3.46Å; K46-E49 VanDerWaalsContact NZ-CD 3.25Å; K46-E49 IonicContact NZ-OE1 2.74Å; K46-E49 PolarHBondContact NZ-OE1 3.05Å; K46-E49 IonicContact NZ-OE2 3.91Å; K46-E49 PolarHBondContact NZ-OE2 2.99Å; K46-K50 WeakPolarHBondContact O-CG 3.41Å; K46-K50 PolarHBondContact O-N 3.36Å |
| 47 | L | 89.2 | Confident | 87.9 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.8 | -36 | 173.1 | -70.7 | 171.5 | 0 | 0 | 0 | 111.4 | C25 V28 I29 L43 F44 K50 G51 F52 L53 F57 | C25-L47 HydrophobicContact CB-CD2 4.47Å; V28-L47 HydrophobicContact CG1-CD2 4.1Å; I29-L47 HydrophobicContact CD1-CD2 3.62Å; I29-L47 HydrophobicContact CD1-CG 3.8Å; I29-L47 HydrophobicContact CG1-CD2 4.17Å; L43-L47 HydrophobicContact CD1-CD1 4.46Å; L43-L47 HydrophobicContact CD1-CG 4.36Å; L43-L47 HydrophobicContact CG-CD1 4.05Å; L43-L47 HydrophobicContact CG-CG 4.39Å; L43-L47 WeakPolarHBondContact O-CG 3.38Å; L43-L47 PolarHBondContact O-N 3.05Å; F44-L47 HydrophobicContact CD1-CD1 4.44Å; F44-L47 PolarHBondContact O-N 2.69Å; L47-K50 PolarHBondContact O-N 3.05Å; L47-G51 PolarHBondContact O-N 2.91Å; L47-G51 VanDerWaalsContact O-N 3.11Å; L47-F52 HydrophobicContact CD2-CB 4.08Å; L47-F52 PolarHBondContact O-N 2.84Å; L47-L53 HydrophobicContact CB-CB 3.93Å; L47-L53 HydrophobicContact CB-CD1 4.24Å; L47-L53 HydrophobicContact CD1-CD1 4.48Å; L47-L53 PolarHBondContact O-N 3.35Å; L47-F57 HydrophobicContact CD1-CD1 4.06Å; L47-F57 HydrophobicContact CD1-CE1 3.7Å; L47-F57 HydrophobicContact CD2-CD1 4.32Å; L47-F57 HydrophobicContact CD2-CE1 3.52Å; L47-F57 HydrophobicContact CD2-CZ 4.18Å; L47-F57 HydrophobicContact CG-CE1 4.23Å |
| 48 | E | 87.6 | Confident | 87.8 | Confident | 73 Ų | 73 | 51.8 Ų | 51.8 | 34% | 0.341 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.1 | -45.9 | 177.3 | -166.2 | 173.6 | -136.8 | 0 | 0 | 111.7 | R3 F44 V45 K46 K50 G51 L53 | R3-E48 IonicContact CZ-OE1 3.2Å; R3-E48 IonicContact CZ-OE2 2.82Å; R3-E48 IonicContact NH1-OE1 2.88Å; R3-E48 IonicContact NH1-OE2 2.86Å; R3-E48 PolarHBondContact NH1-OE2 2.92Å; R3-E48 VanDerWaalsContact NH2-CD 3.3Å; R3-E48 IonicContact NH2-OE1 2.81Å; R3-E48 PolarHBondContact NH2-OE1 3.45Å; R3-E48 IonicContact NH2-OE2 3.35Å; R3-E48 PolarHBondContact NH2-OE2 3.37Å; F44-E48 WeakPolarHBondContact O-CB 3.36Å; F44-E48 PolarHBondContact O-N 3.16Å; V45-E48 WeakPolarHBondContact O-CB 3.48Å; V45-E48 PolarHBondContact O-N 2.54Å; K46-E48 VanDerWaalsContact C-N 3.29Å; K46-E48 PolarHBondContact O-N 2.81Å; E48-K50 PolarHBondContact O-N 2.74Å; E48-K50 VanDerWaalsContact O-N 3.16Å; E48-G51 PolarHBondContact O-N 2.74Å; E48-L53 HydrophobicContact CB-CB 3.92Å; E48-L53 HydrophobicContact CB-CD2 3.76Å; E48-L53 HydrophobicContact CB-CG 4.48Å; E48-L53 HydrophobicContact CG-CB 4.5Å; E48-L53 HydrophobicContact CG-CD2 4.16Å |
| 49 | E | 87 | Confident | 87.4 | Confident | 113 Ų | 113 | 44.5 Ų | 44.5 | 53% | 0.528 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -55 | -32.3 | 173.5 | -74.6 | 174.3 | -169.4 | 0 | 0 | 112.2 | V45 K46 | V45-E49 WeakPolarHBondContact O-CG 3.43Å; V45-E49 PolarHBondContact O-N 3.01Å; K46-E49 WeakPolarHBondContact CD-OE2 3.46Å; K46-E49 VanDerWaalsContact NZ-CD 3.25Å; K46-E49 IonicContact NZ-OE1 2.74Å; K46-E49 PolarHBondContact NZ-OE1 3.05Å; K46-E49 IonicContact NZ-OE2 3.91Å; K46-E49 PolarHBondContact NZ-OE2 2.99Å |
| 50 | K | 80.8 | Confident | 86.9 | Confident | 102 Ų | 102 | 40.5 Ų | 40.5 | 44% | 0.443 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -5.2 | 178.6 | -64.6 | -65.5 | -177.8 | -176.8 | 0 | 114.1 | K46 L47 E48 F52 | K46-K50 WeakPolarHBondContact O-CG 3.41Å; K46-K50 PolarHBondContact O-N 3.36Å; L47-K50 PolarHBondContact O-N 3.05Å; E48-K50 PolarHBondContact O-N 2.74Å; E48-K50 VanDerWaalsContact O-N 3.16Å; K50-F52 VanDerWaalsContact C-N 3.34Å; K50-F52 HydrophobicContact CB-CD2 3.74Å; K50-F52 HydrophobicContact CB-CE2 4.32Å; K50-F52 WeakPolarHBondContact O-CD2 3.1Å |
| 51 | G | 79.9 | Confident | 86.7 | Confident | 65 Ų | 65 | 40.5 Ų | 40.5 | 67% | 0.67 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 16.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | L47 E48 | L47-G51 PolarHBondContact O-N 2.91Å; L47-G51 VanDerWaalsContact O-N 3.11Å; E48-G51 PolarHBondContact O-N 2.74Å |
| 52 | F | 79.9 | Confident | 86.5 | Confident | 79 Ų | 79 | 35.4 Ų | 35.4 | 35% | 0.346 | 19% | 0.193 | S | C | . | . | trans | -99.2 | -10.9 | 179.9 | -74.9 | -95.9 | 0 | 0 | 0 | 113.7 | V28 L47 K50 N54 F57 | V28-F52 HydrophobicContact CG1-CB 3.9Å; V28-F52 HydrophobicContact CG1-CD1 3.77Å; V28-F52 HydrophobicContact CG1-CD2 3.26Å; V28-F52 HydrophobicContact CG1-CE1 4.06Å; V28-F52 HydrophobicContact CG1-CE2 3.59Å; V28-F52 HydrophobicContact CG1-CG 3.35Å; V28-F52 HydrophobicContact CG1-CZ 3.98Å; V28-F52 HydrophobicContact CG2-CD1 4.06Å; V28-F52 HydrophobicContact CG2-CE1 3.98Å; V28-F52 HydrophobicContact CG2-CG 4.48Å; V28-F52 HydrophobicContact CG2-CZ 4.36Å; L47-F52 HydrophobicContact CD2-CB 4.08Å; L47-F52 PolarHBondContact O-N 2.84Å; K50-F52 VanDerWaalsContact C-N 3.34Å; K50-F52 HydrophobicContact CB-CD2 3.74Å; K50-F52 HydrophobicContact CB-CE2 4.32Å; K50-F52 WeakPolarHBondContact O-CD2 3.1Å; F52-N54 PolarHBondContact O-N 3.28Å; F52-N54 PolarHBondContact O-ND2 2.89Å; F52-F57 WeakPolarHBondContact O-CB 3.31Å; F52-F57 WeakPolarHBondContact O-CG 3.36Å | ||
| 53 | L | 85.1 | Confident | 86.1 | Confident | 21 Ų | 21 | 37.1 Ų | 37.1 | 11% | 0.11 | 20% | 0.195 | C | C | . | . | trans | -74.5 | 94.9 | 180 | -172.4 | 70.3 | 0 | 0 | 0 | 111.9 | M1 L6 F44 L47 E48 L58 | M1-L53 HydrophobicContact CE-CD1 3.63Å; M1-L53 HydrophobicContact CE-CG 3.63Å; L6-L53 HydrophobicContact CD1-CD2 3.87Å; L6-L53 HydrophobicContact CD2-CD1 4.49Å; F44-L53 HydrophobicContact CB-CD1 3.98Å; F44-L53 HydrophobicContact CB-CD2 4.29Å; F44-L53 HydrophobicContact CD1-CD1 4.1Å; F44-L53 HydrophobicContact CG-CD1 4.29Å; L47-L53 HydrophobicContact CB-CB 3.93Å; L47-L53 HydrophobicContact CB-CD1 4.24Å; L47-L53 HydrophobicContact CD1-CD1 4.48Å; L47-L53 PolarHBondContact O-N 3.35Å; E48-L53 HydrophobicContact CB-CB 3.92Å; E48-L53 HydrophobicContact CB-CD2 3.76Å; E48-L53 HydrophobicContact CB-CG 4.48Å; E48-L53 HydrophobicContact CG-CB 4.5Å; E48-L53 HydrophobicContact CG-CD2 4.16Å; L53-L58 HydrophobicContact CD1-CD1 4.17Å; L53-L58 HydrophobicContact CD1-CD2 4.14Å; L53-L58 HydrophobicContact CD1-CG 4.27Å | ||
| 54 | N | 82.4 | Confident | 85.7 | Confident | 43 Ų | 43 | 38.4 Ų | 38.4 | 23% | 0.23 | 20% | 0.203 | C | C | . | . | trans | -140.8 | 161.6 | 172.6 | 58.7 | 60.7 | 0 | 0 | 0 | 110.7 | M1 F52 T56 F57 L58 Y90 | M1-N54 WeakPolarHBondContact CE-O 3.43Å; F52-N54 PolarHBondContact O-N 3.28Å; F52-N54 PolarHBondContact O-ND2 2.89Å; N54-T56 PolarHBondContact O-N 2.96Å; N54-T56 PolarHBondContact OD1-N 2.67Å; N54-T56 PolarHBondContact OD1-OG1 2.88Å; N54-F57 PolarHBondContact O-N 3.39Å; N54-F57 WeakPolarHBondContact OD1-CB 3.37Å; N54-F57 PolarHBondContact OD1-N 3.37Å; N54-L58 PolarHBondContact O-N 2.85Å; N54-L58 VanDerWaalsContact O-N 3.12Å; N54-Y90 PolarHBondContact OD1-OH 2.85Å | ||
| 55 | S | 80.7 | Confident | 85.4 | Confident | 33 Ų | 33 | 39 Ų | 39 | 23% | 0.231 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.4 | -34.9 | -174.5 | 45.9 | 0 | 0 | 0 | 0 | 112.6 | A59 | S55-A59 WeakPolarHBondContact O-CB 3.32Å; S55-A59 PolarHBondContact O-N 2.78Å |
| 56 | T | 77.2 | Confident | 85.2 | Confident | 21 Ų | 21 | 44.5 Ų | 44.5 | 13% | 0.129 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -72.9 | -39.3 | -178.7 | 46.7 | 0 | 0 | 0 | 0 | 112.1 | N54 A59 E60 E82 Y90 | N54-T56 PolarHBondContact O-N 2.96Å; N54-T56 PolarHBondContact OD1-N 2.67Å; N54-T56 PolarHBondContact OD1-OG1 2.88Å; T56-A59 PolarHBondContact O-N 3.04Å; T56-E60 PolarHBondContact O-N 3.04Å; T56-E82 HydrophobicContact CG2-CG 4.43Å; T56-E82 WeakPolarHBondContact CG2-OE1 3.45Å; T56-Y90 WeakPolarHBondContact OG1-CE2 3.31Å; T56-Y90 PolarHBondContact OG1-OH 3.34Å |
| 57 | F | 82.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.7 | -49.3 | 171.6 | -172.9 | -111.8 | 0 | 0 | 0 | 111.5 | L47 F52 N54 A59 E60 L61 Y90 L91 | L47-F57 HydrophobicContact CD1-CD1 4.06Å; L47-F57 HydrophobicContact CD1-CE1 3.7Å; L47-F57 HydrophobicContact CD2-CD1 4.32Å; L47-F57 HydrophobicContact CD2-CE1 3.52Å; L47-F57 HydrophobicContact CD2-CZ 4.18Å; L47-F57 HydrophobicContact CG-CE1 4.23Å; F52-F57 WeakPolarHBondContact O-CB 3.31Å; F52-F57 WeakPolarHBondContact O-CG 3.36Å; N54-F57 PolarHBondContact O-N 3.39Å; N54-F57 WeakPolarHBondContact OD1-CB 3.37Å; N54-F57 PolarHBondContact OD1-N 3.37Å; F57-A59 VanDerWaalsContact C-N 3.31Å; F57-A59 PolarHBondContact O-N 2.94Å; F57-E60 PolarHBondContact O-N 3.44Å; F57-L61 HydrophobicContact CD1-CD1 3.81Å; F57-L61 HydrophobicContact CE1-CD1 3.55Å; F57-L61 HydrophobicContact CE1-CG 4.23Å; F57-L61 HydrophobicContact CZ-CD1 4.22Å; F57-L61 HydrophobicContact CZ-CG 4.48Å; F57-L61 PolarHBondContact O-N 2.91Å; F57-Y90 HydrophobicContact CB-CD1 4.49Å; F57-Y90 HydrophobicContact CB-CD2 4.09Å; F57-Y90 HydrophobicContact CB-CE2 4.27Å; F57-Y90 HydrophobicContact CB-CG 4.26Å; F57-Y90 AromaticContact CD2-CD1 3.92Å; F57-Y90 HydrophobicContact CD2-CD1 3.92Å; F57-Y90 AromaticContact CD2-CD2 3.91Å; F57-Y90 HydrophobicContact CD2-CD2 3.91Å; F57-Y90 AromaticContact CD2-CG 3.44Å; F57-Y90 HydrophobicContact CD2-CG 3.44Å; F57-Y90 VanDerWaalsContact CD2-CG 3.44Å; F57-Y90 VanDerWaalsContact CE2-CB 3.4Å; F57-Y90 HydrophobicContact CE2-CG 4.19Å; F57-Y90 HydrophobicContact CG-CG 4.35Å; F57-L91 HydrophobicContact CE2-CD2 4.05Å; F57-L91 HydrophobicContact CZ-CD2 4.13Å |
| 58 | L | 87.7 | Confident | 84.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -38.6 | 176.9 | -67.6 | -170.9 | 0 | 0 | 0 | 111.7 | M1 L6 F44 L53 N54 E60 L61 F62 L74 | M1-L58 HydrophobicContact CE-CD1 3.23Å; M1-L58 HydrophobicContact CE-CG 3.69Å; M1-L58 HydrophobicContact SD-CD1 3.67Å; L6-L58 HydrophobicContact CD2-CD1 3.69Å; F44-L58 HydrophobicContact CD1-CD2 4.02Å; F44-L58 HydrophobicContact CE1-CD2 3.74Å; L53-L58 HydrophobicContact CD1-CD1 4.17Å; L53-L58 HydrophobicContact CD1-CD2 4.14Å; L53-L58 HydrophobicContact CD1-CG 4.27Å; N54-L58 PolarHBondContact O-N 2.85Å; N54-L58 VanDerWaalsContact O-N 3.12Å; L58-E60 VanDerWaalsContact C-N 3.3Å; L58-E60 PolarHBondContact O-N 2.76Å; L58-L61 HydrophobicContact CD2-CD1 4.01Å; L58-L61 WeakPolarHBondContact O-CB 3.45Å; L58-L61 PolarHBondContact O-N 2.86Å; L58-F62 HydrophobicContact CB-CE2 3.99Å; L58-F62 HydrophobicContact CB-CZ 4.34Å; L58-F62 VanDerWaalsContact O-CD2 3.24Å; L58-F62 WeakPolarHBondContact O-CD2 3.38Å; L58-F62 VanDerWaalsContact O-CG 3.22Å; L58-F62 WeakPolarHBondContact O-CG 3.43Å; L58-F62 PolarHBondContact O-N 3.41Å; L58-L74 HydrophobicContact CB-CD1 3.68Å; L58-L74 HydrophobicContact CB-CD2 4.33Å; L58-L74 HydrophobicContact CD1-CD2 4.13Å |
| 59 | A | 84.4 | Confident | 84.9 | Confident | 7 Ų | 7 | 46.1 Ų | 46.1 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.7 | -37.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | S55 T56 F57 R63 L71 L74 | S55-A59 WeakPolarHBondContact O-CB 3.32Å; S55-A59 PolarHBondContact O-N 2.78Å; T56-A59 PolarHBondContact O-N 3.04Å; F57-A59 VanDerWaalsContact C-N 3.31Å; F57-A59 PolarHBondContact O-N 2.94Å; A59-R63 WeakPolarHBondContact O-CB 3.42Å; A59-R63 WeakPolarHBondContact O-CG 3.38Å; A59-R63 PolarHBondContact O-N 2.86Å; A59-L71 HydrophobicContact CB-CD1 3.56Å; A59-L74 HydrophobicContact CB-CD1 4.18Å |
| 60 | E | 84.1 | Confident | 85 | Confident | 13 Ų | 13 | 40.8 Ų | 40.8 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.4 | -42.2 | 173.9 | -172.4 | -169.8 | -169.6 | 0 | 0 | 112.8 | T56 F57 L58 F62 R63 T64 A89 Y90 L91 | T56-E60 PolarHBondContact O-N 3.04Å; F57-E60 PolarHBondContact O-N 3.44Å; L58-E60 VanDerWaalsContact C-N 3.3Å; L58-E60 PolarHBondContact O-N 2.76Å; E60-F62 VanDerWaalsContact C-N 3.33Å; E60-F62 PolarHBondContact O-N 3.13Å; E60-R63 PolarHBondContact O-N 2.97Å; E60-T64 WeakPolarHBondContact O-CB 3.47Å; E60-T64 PolarHBondContact O-N 3.44Å; E60-T64 PolarHBondContact O-OG1 2.81Å; E60-A89 WeakPolarHBondContact OE1-CA 3.48Å; E60-A89 WeakPolarHBondContact OE1-CB 3.34Å; E60-A89 WeakPolarHBondContact OE2-CA 3.27Å; E60-Y90 VanDerWaalsContact CD-N 3.3Å; E60-Y90 PolarHBondContact OE1-N 2.76Å; E60-Y90 WeakPolarHBondContact OE2-CA 3.47Å; E60-Y90 VanDerWaalsContact OE2-CB 3.29Å; E60-Y90 WeakPolarHBondContact OE2-CB 3.28Å; E60-Y90 WeakPolarHBondContact OE2-CD2 3.06Å; E60-Y90 PolarHBondContact OE2-N 2.61Å; E60-L91 HydrophobicContact CG-CD1 4.06Å; E60-L91 HydrophobicContact CG-CG 4.25Å; E60-L91 WeakPolarHBondContact OE1-CB 3.3Å; E60-L91 PolarHBondContact OE1-N 2.89Å; E60-L91 VanDerWaalsContact OE1-N 3.07Å; E60-L91 PolarHBondContact OE2-N 3.34Å; E60-L91 VanDerWaalsContact OE2-N 3.14Å |
| 61 | L | 89.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55 | -50.1 | 172.6 | -78.5 | 170.4 | 0 | 0 | 0 | 110.7 | L21 L24 F57 L58 R63 T64 T65 L91 | L21-L61 HydrophobicContact CD2-CB 3.8Å; L21-L61 HydrophobicContact CD2-CD1 4.39Å; L21-L61 HydrophobicContact CD2-CD2 3.98Å; L21-L61 HydrophobicContact CD2-CG 4.29Å; L24-L61 HydrophobicContact CB-CD2 3.71Å; L24-L61 HydrophobicContact CD1-CD2 3.98Å; F57-L61 HydrophobicContact CD1-CD1 3.81Å; F57-L61 HydrophobicContact CE1-CD1 3.55Å; F57-L61 HydrophobicContact CE1-CG 4.23Å; F57-L61 HydrophobicContact CZ-CD1 4.22Å; F57-L61 HydrophobicContact CZ-CG 4.48Å; F57-L61 PolarHBondContact O-N 2.91Å; L58-L61 HydrophobicContact CD2-CD1 4.01Å; L58-L61 WeakPolarHBondContact O-CB 3.45Å; L58-L61 PolarHBondContact O-N 2.86Å; L61-R63 PolarHBondContact O-N 2.83Å; L61-T64 WeakPolarHBondContact O-CB 3.44Å; L61-T64 PolarHBondContact O-N 2.81Å; L61-T64 VanDerWaalsContact O-N 3.13Å; L61-T65 PolarHBondContact O-N 2.9Å; L61-T65 PolarHBondContact O-OG1 2.97Å; L61-L91 HydrophobicContact CD2-CD1 3.98Å; L61-L91 HydrophobicContact CD2-CD2 3.85Å; L61-L91 HydrophobicContact CD2-CG 4.44Å; L61-L91 HydrophobicContact CG-CD1 4.5Å |
| 62 | F | 90.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.8 | -29.8 | -178.7 | -57.7 | -29.1 | 0 | 0 | 0 | 113.8 | I9 L13 L21 L58 E60 T64 R66 R67 L70 L74 | I9-F62 HydrophobicContact CD1-CE2 4.17Å; I9-F62 HydrophobicContact CG2-CE1 4.36Å; I9-F62 HydrophobicContact CG2-CE2 4.1Å; I9-F62 HydrophobicContact CG2-CZ 3.51Å; L13-F62 HydrophobicContact CD1-CE1 4.42Å; L21-F62 HydrophobicContact CD1-CE1 4.21Å; L21-F62 HydrophobicContact CD2-CD1 4.44Å; L21-F62 HydrophobicContact CD2-CE1 4.37Å; L58-F62 HydrophobicContact CB-CE2 3.99Å; L58-F62 HydrophobicContact CB-CZ 4.34Å; L58-F62 VanDerWaalsContact O-CD2 3.24Å; L58-F62 WeakPolarHBondContact O-CD2 3.38Å; L58-F62 VanDerWaalsContact O-CG 3.22Å; L58-F62 WeakPolarHBondContact O-CG 3.43Å; L58-F62 PolarHBondContact O-N 3.41Å; E60-F62 VanDerWaalsContact C-N 3.33Å; E60-F62 PolarHBondContact O-N 3.13Å; F62-T64 VanDerWaalsContact C-N 3.33Å; F62-R66 CarbonylContact O-C 3.53Å; F62-R66 WeakPolarHBondContact O-CA 3.5Å; F62-R66 PolarHBondContact O-N 3.32Å; F62-R67 HydrophobicContact CB-CB 4.23Å; F62-R67 PolarHBondContact O-N 3.13Å; F62-L70 HydrophobicContact CB-CB 4.43Å; F62-L70 HydrophobicContact CD1-CB 4.33Å; F62-L70 HydrophobicContact CD1-CD1 3.99Å; F62-L70 HydrophobicContact CD2-CB 3.59Å; F62-L70 HydrophobicContact CE1-CD1 3.89Å; F62-L70 HydrophobicContact CE2-CB 3.87Å; F62-L70 HydrophobicContact CE2-CD1 4.46Å; F62-L70 HydrophobicContact CG-CB 3.87Å; F62-L70 HydrophobicContact CG-CD1 4.38Å; F62-L70 HydrophobicContact CZ-CB 4.39Å; F62-L70 HydrophobicContact CZ-CD1 4.16Å; F62-L74 HydrophobicContact CD2-CD1 3.47Å; F62-L74 VanDerWaalsContact CD2-CD1 3.47Å; F62-L74 HydrophobicContact CD2-CG 4.26Å; F62-L74 HydrophobicContact CE2-CD1 3.56Å; F62-L74 HydrophobicContact CE2-CG 4.08Å |
| 63 | R | 86.1 | Confident | 85.6 | Confident | 95 Ų | 95 | 36.3 Ų | 36.3 | 36% | 0.358 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -65 | -40.3 | 168.2 | -76.7 | 176.1 | -150.2 | 121.4 | 0.3 | 111.3 | A59 E60 L61 R66 L71 | A59-R63 WeakPolarHBondContact O-CB 3.42Å; A59-R63 WeakPolarHBondContact O-CG 3.38Å; A59-R63 PolarHBondContact O-N 2.86Å; E60-R63 PolarHBondContact O-N 2.97Å; L61-R63 PolarHBondContact O-N 2.83Å; R63-R66 PolarHBondContact O-N 3.09Å; R63-L71 HydrophobicContact CG-CD1 4.07Å; R63-L71 HydrophobicContact CG-CD2 4.01Å |
| 64 | T | 85.8 | Confident | 85.3 | Confident | 27 Ų | 27 | 35.7 Ų | 35.7 | 17% | 0.166 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.5 | -45.8 | -179.6 | -56.2 | 0 | 0 | 0 | 0 | 110.9 | L24 E60 L61 F62 R66 L91 L96 Y99 | L24-T64 HydrophobicContact CD1-CG2 3.71Å; L24-T64 HydrophobicContact CD2-CG2 4.01Å; E60-T64 WeakPolarHBondContact O-CB 3.47Å; E60-T64 PolarHBondContact O-N 3.44Å; E60-T64 PolarHBondContact O-OG1 2.81Å; L61-T64 WeakPolarHBondContact O-CB 3.44Å; L61-T64 PolarHBondContact O-N 2.81Å; L61-T64 VanDerWaalsContact O-N 3.13Å; F62-T64 VanDerWaalsContact C-N 3.33Å; T64-R66 PolarHBondContact O-N 2.88Å; T64-L91 HydrophobicContact CG2-CD1 4.43Å; T64-L96 HydrophobicContact CG2-CD2 3.71Å; T64-Y99 HydrophobicContact CG2-CD1 3.71Å; T64-Y99 HydrophobicContact CG2-CE1 4.09Å; T64-Y99 HydrophobicContact CG2-CG 4.1Å; T64-Y99 VanDerWaalsContact O-CE1 3.24Å; T64-Y99 WeakPolarHBondContact O-CE1 3.38Å |
| 65 | T | 89.3 | Confident | 84.8 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 9% | 0.092 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 6.4 | 176 | 65 | 0 | 0 | 0 | 0 | 114 | E20 L21 L24 L61 R67 Y99 | E20-T65 HydrophobicContact CB-CG2 4.48Å; L21-T65 HydrophobicContact CD2-CG2 3.83Å; L24-T65 HydrophobicContact CD1-CG2 3.88Å; L61-T65 PolarHBondContact O-N 2.9Å; L61-T65 PolarHBondContact O-OG1 2.97Å; T65-R67 PolarHBondContact O-N 3.46Å; T65-R67 VanDerWaalsContact O-N 3.17Å; T65-Y99 WeakPolarHBondContact CA-OH 3.17Å; T65-Y99 HydrophobicContact CG2-CE2 4.4Å |
| 66 | R | 86.6 | Confident | 84.2 | Confident | 177 Ų | 177 | 42 Ų | 42 | 67% | 0.668 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 26.3 | 178.8 | -54.2 | -176.1 | -178.7 | 178.4 | 7.5 | 115.2 | F62 R63 T64 A68 E103 | F62-R66 CarbonylContact O-C 3.53Å; F62-R66 WeakPolarHBondContact O-CA 3.5Å; F62-R66 PolarHBondContact O-N 3.32Å; R63-R66 PolarHBondContact O-N 3.09Å; T64-R66 PolarHBondContact O-N 2.88Å; R66-A68 PolarHBondContact O-N 3.01Å; R66-A68 VanDerWaalsContact O-N 3.1Å; R66-E103 IonicContact CZ-OE2 3Å; R66-E103 IonicContact NE-OE2 3.38Å; R66-E103 IonicContact NH1-OE2 3.64Å; R66-E103 IonicContact NH2-OE2 2.86Å |
| 67 | R | 90.1 | Very high | 83.4 | Confident | 29 Ų | 29 | 44.4 Ų | 44.4 | 11% | 0.109 | 23% | 0.229 | C | C | . | . | trans | -83.9 | 72.8 | 173.7 | -73.2 | -63.4 | -61.1 | -85.9 | -0.2 | 112.3 | D12 E17 F62 T65 D69 L70 L71 | D12-R67 VanDerWaalsContact O-CZ 3.28Å; D12-R67 PolarHBondContact O-NH1 3.13Å; D12-R67 PolarHBondContact O-NH2 2.83Å; E17-R67 VanDerWaalsContact OE1-CD 3.27Å; E17-R67 WeakPolarHBondContact OE1-CD 3.49Å; E17-R67 IonicContact OE1-CZ 2.96Å; E17-R67 IonicContact OE1-NE 3.18Å; E17-R67 IonicContact OE1-NH1 3.57Å; E17-R67 PolarHBondContact OE1-NH1 3.37Å; E17-R67 IonicContact OE2-NH1 2.8Å; E17-R67 PolarHBondContact OE2-NH1 3.02Å; F62-R67 HydrophobicContact CB-CB 4.23Å; F62-R67 PolarHBondContact O-N 3.13Å; T65-R67 PolarHBondContact O-N 3.46Å; T65-R67 VanDerWaalsContact O-N 3.17Å; R67-D69 WeakPolarHBondContact CA-OD1 3.47Å; R67-D69 IonicContact CZ-OD1 2.71Å; R67-D69 IonicContact CZ-OD2 3.96Å; R67-D69 IonicContact NE-OD1 3.23Å; R67-D69 PolarHBondContact NE-OD1 2.82Å; R67-D69 IonicContact NE-OD2 2.96Å; R67-D69 PolarHBondContact NE-OD2 3.25Å; R67-D69 IonicContact NH2-OD1 3.83Å; R67-D69 IonicContact NH2-OD2 3.93Å; R67-D69 PolarHBondContact NH2-OD2 2.83Å; R67-D69 PolarHBondContact O-N 2.81Å; R67-L70 HydrophobicContact CB-CB 4.18Å; R67-L70 HydrophobicContact CB-CD1 3.92Å; R67-L70 HydrophobicContact CB-CG 4.08Å; R67-L70 HydrophobicContact CG-CD1 4.17Å; R67-L70 PolarHBondContact O-N 3.42Å; R67-L71 PolarHBondContact O-N 2.84Å; R67-L71 VanDerWaalsContact O-N 3.08Å | ||
| 68 | A | 85.1 | Confident | 82 | Confident | 58 Ų | 58 | 46.8 Ų | 46.8 | 48% | 0.479 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63 | -29.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R66 L71 N72 | R66-A68 PolarHBondContact O-N 3.01Å; R66-A68 VanDerWaalsContact O-N 3.1Å; A68-L71 WeakPolarHBondContact O-CB 3.3Å; A68-L71 PolarHBondContact O-N 2.8Å; A68-N72 WeakPolarHBondContact O-CB 3.4Å; A68-N72 PolarHBondContact O-N 2.93Å; A68-N72 PolarHBondContact O-ND2 3.1Å; A68-N72 VanDerWaalsContact O-ND2 3.08Å |
| 69 | D | 87.8 | Confident | 80.2 | Confident | 71 Ų | 71 | 58.6 Ų | 58.6 | 38% | 0.38 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62 | -48.6 | 173.5 | 59.3 | -47.9 | 0 | 0 | 0 | 111.9 | R67 L71 N72 M73 | R67-D69 WeakPolarHBondContact CA-OD1 3.47Å; R67-D69 IonicContact CZ-OD1 2.71Å; R67-D69 IonicContact CZ-OD2 3.96Å; R67-D69 IonicContact NE-OD1 3.23Å; R67-D69 PolarHBondContact NE-OD1 2.82Å; R67-D69 IonicContact NE-OD2 2.96Å; R67-D69 PolarHBondContact NE-OD2 3.25Å; R67-D69 IonicContact NH2-OD1 3.83Å; R67-D69 IonicContact NH2-OD2 3.93Å; R67-D69 PolarHBondContact NH2-OD2 2.83Å; R67-D69 PolarHBondContact O-N 2.81Å; D69-L71 VanDerWaalsContact C-N 3.33Å; D69-L71 PolarHBondContact O-N 3.38Å; D69-N72 PolarHBondContact O-N 2.94Å; D69-M73 WeakPolarHBondContact O-CG 3.17Å; D69-M73 PolarHBondContact O-N 2.76Å |
| 70 | L | 89.8 | Confident | 78.2 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.7 | -34.9 | 176.9 | -60.4 | -177.2 | 0 | 0 | 0 | 111.9 | I9 D12 L13 F62 R67 M73 L74 | I9-L70 HydrophobicContact CG1-CD2 4.45Å; I9-L70 HydrophobicContact CG2-CD1 4.38Å; D12-L70 HydrophobicContact CB-CD2 3.78Å; L13-L70 HydrophobicContact CD1-CD1 4.26Å; L13-L70 HydrophobicContact CD2-CD1 3.7Å; L13-L70 HydrophobicContact CG-CD1 3.86Å; F62-L70 HydrophobicContact CB-CB 4.43Å; F62-L70 HydrophobicContact CD1-CB 4.33Å; F62-L70 HydrophobicContact CD1-CD1 3.99Å; F62-L70 HydrophobicContact CD2-CB 3.59Å; F62-L70 HydrophobicContact CE1-CD1 3.89Å; F62-L70 HydrophobicContact CE2-CB 3.87Å; F62-L70 HydrophobicContact CE2-CD1 4.46Å; F62-L70 HydrophobicContact CG-CB 3.87Å; F62-L70 HydrophobicContact CG-CD1 4.38Å; F62-L70 HydrophobicContact CZ-CB 4.39Å; F62-L70 HydrophobicContact CZ-CD1 4.16Å; R67-L70 HydrophobicContact CB-CB 4.18Å; R67-L70 HydrophobicContact CB-CD1 3.92Å; R67-L70 HydrophobicContact CB-CG 4.08Å; R67-L70 HydrophobicContact CG-CD1 4.17Å; R67-L70 PolarHBondContact O-N 3.42Å; L70-M73 HydrophobicContact CD2-SD 3.98Å; L70-M73 WeakPolarHBondContact O-CB 3.49Å; L70-M73 PolarHBondContact O-N 2.71Å; L70-L74 WeakPolarHBondContact O-CG 3.47Å; L70-L74 PolarHBondContact O-N 3.44Å |
| 71 | L | 85.1 | Confident | 76.3 | Confident | 24 Ų | 24 | 75.8 Ų | 75.8 | 13% | 0.126 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.3 | -48.4 | 172.5 | -173.6 | 74.5 | 0 | 0 | 0 | 111.1 | A59 R63 R67 A68 D69 M73 L74 E75 | A59-L71 HydrophobicContact CB-CD1 3.56Å; R63-L71 HydrophobicContact CG-CD1 4.07Å; R63-L71 HydrophobicContact CG-CD2 4.01Å; R67-L71 PolarHBondContact O-N 2.84Å; R67-L71 VanDerWaalsContact O-N 3.08Å; A68-L71 WeakPolarHBondContact O-CB 3.3Å; A68-L71 PolarHBondContact O-N 2.8Å; D69-L71 VanDerWaalsContact C-N 3.33Å; D69-L71 PolarHBondContact O-N 3.38Å; L71-M73 VanDerWaalsContact C-N 3.28Å; L71-M73 PolarHBondContact O-N 2.79Å; L71-L74 WeakPolarHBondContact O-CB 3.41Å; L71-L74 PolarHBondContact O-N 2.81Å; L71-E75 WeakPolarHBondContact O-CG 3.39Å; L71-E75 PolarHBondContact O-N 2.87Å |
| 72 | N | 82.7 | Confident | 74.1 | Confident | 94 Ų | 94 | 79.6 Ų | 79.6 | 50% | 0.503 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.4 | -36.6 | 177.2 | -68.6 | -29.8 | 0 | 0 | 0 | 111.6 | A68 D69 E75 S76 | A68-N72 WeakPolarHBondContact O-CB 3.4Å; A68-N72 PolarHBondContact O-N 2.93Å; A68-N72 PolarHBondContact O-ND2 3.1Å; A68-N72 VanDerWaalsContact O-ND2 3.08Å; D69-N72 PolarHBondContact O-N 2.94Å; N72-E75 PolarHBondContact O-N 2.78Å; N72-S76 WeakPolarHBondContact O-CB 3.13Å; N72-S76 PolarHBondContact O-N 3.05Å; N72-S76 PolarHBondContact O-OG 2.94Å |
| 73 | M | 85 | Confident | 72.1 | Confident | 35 Ų | 35 | 84.2 Ų | 84.2 | 17% | 0.172 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 174.1 | -73.1 | 171.4 | 61.8 | 0 | 0 | 111.8 | R8 I9 D69 L70 L71 S76 D77 | R8-M73 HydrophobicContact CB-CE 3.85Å; I9-M73 HydrophobicContact CG1-CE 4.43Å; D69-M73 WeakPolarHBondContact O-CG 3.17Å; D69-M73 PolarHBondContact O-N 2.76Å; L70-M73 HydrophobicContact CD2-SD 3.98Å; L70-M73 WeakPolarHBondContact O-CB 3.49Å; L70-M73 PolarHBondContact O-N 2.71Å; L71-M73 VanDerWaalsContact C-N 3.28Å; L71-M73 PolarHBondContact O-N 2.79Å; M73-S76 PolarHBondContact O-N 2.87Å; M73-S76 PolarHBondContact O-OG 2.76Å; M73-D77 PolarHBondContact O-N 2.81Å |
| 74 | L | 79.6 | Confident | 69.8 | Low | 7 Ų | 7 | 84.4 Ų | 84.4 | 4% | 0.037 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 174.2 | -72.4 | 173.9 | 0 | 0 | 0 | 112.5 | M1 L5 I9 L58 A59 F62 L70 L71 S76 S78 | M1-L74 HydrophobicContact SD-CD2 4.39Å; L5-L74 HydrophobicContact CD2-CD2 3.98Å; I9-L74 HydrophobicContact CD1-CD2 3.75Å; I9-L74 HydrophobicContact CD1-CG 4.26Å; L58-L74 HydrophobicContact CB-CD1 3.68Å; L58-L74 HydrophobicContact CB-CD2 4.33Å; L58-L74 HydrophobicContact CD1-CD2 4.13Å; A59-L74 HydrophobicContact CB-CD1 4.18Å; F62-L74 HydrophobicContact CD2-CD1 3.47Å; F62-L74 VanDerWaalsContact CD2-CD1 3.47Å; F62-L74 HydrophobicContact CD2-CG 4.26Å; F62-L74 HydrophobicContact CE2-CD1 3.56Å; F62-L74 HydrophobicContact CE2-CG 4.08Å; L70-L74 WeakPolarHBondContact O-CG 3.47Å; L70-L74 PolarHBondContact O-N 3.44Å; L71-L74 WeakPolarHBondContact O-CB 3.41Å; L71-L74 PolarHBondContact O-N 2.81Å; L74-S76 VanDerWaalsContact C-N 3.31Å; L74-S76 PolarHBondContact O-N 3Å; L74-S78 WeakPolarHBondContact O-CB 3.39Å; L74-S78 PolarHBondContact O-N 3.17Å; L74-S78 PolarHBondContact O-OG 2.79Å |
| 75 | E | 72.1 | Confident | 67.5 | Low | 109 Ų | 109 | 85.8 Ų | 85.8 | 51% | 0.509 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.1 | -28.8 | -179.6 | -71.4 | -178.9 | -178.2 | 0 | 0 | 112.5 | L71 N72 S78 | L71-E75 WeakPolarHBondContact O-CG 3.39Å; L71-E75 PolarHBondContact O-N 2.87Å; N72-E75 PolarHBondContact O-N 2.78Å; E75-S78 VanDerWaalsContact CA-OG 3.3Å; E75-S78 WeakPolarHBondContact CA-OG 3.49Å; E75-S78 PolarHBondContact O-OG 3.41Å |
| 76 | S | 67.3 | Low | 65.1 | Low | 99 Ų | 99 | 86.1 Ų | 86.1 | 69% | 0.692 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -77.5 | -26.8 | 178.2 | 72.1 | 0 | 0 | 0 | 0 | 114.7 | N72 M73 L74 | N72-S76 WeakPolarHBondContact O-CB 3.13Å; N72-S76 PolarHBondContact O-N 3.05Å; N72-S76 PolarHBondContact O-OG 2.94Å; M73-S76 PolarHBondContact O-N 2.87Å; M73-S76 PolarHBondContact O-OG 2.76Å; L74-S76 VanDerWaalsContact C-N 3.31Å; L74-S76 PolarHBondContact O-N 3Å |
| 77 | D | 61 | Low | 62.7 | Low | 73 Ų | 73 | 78 Ų | 78 | 39% | 0.39 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -94.2 | -16.4 | 179.4 | -161.3 | 46.9 | 0 | 0 | 0 | 112.6 | N2 L5 M73 R79 | N2-D77 WeakPolarHBondContact CB-OD2 3.5Å; N2-D77 PolarHBondContact ND2-OD2 3.07Å; L5-D77 HydrophobicContact CD1-CB 4.21Å; L5-D77 HydrophobicContact CD2-CB 3.86Å; L5-D77 WeakPolarHBondContact CD2-OD2 3.37Å; M73-D77 PolarHBondContact O-N 2.81Å; D77-R79 PolarHBondContact O-N 3.07Å; D77-R79 VanDerWaalsContact O-N 3.08Å |
| 78 | S | 52.6 | Low | 60.4 | Low | 49 Ų | 49 | 76.9 Ų | 76.9 | 34% | 0.343 | 39% | 0.388 | S | S | . | . | trans | -78.3 | 96.1 | -177.2 | 36.5 | 0 | 0 | 0 | 0 | 111.9 | L74 E75 E80 | L74-S78 WeakPolarHBondContact O-CB 3.39Å; L74-S78 PolarHBondContact O-N 3.17Å; L74-S78 PolarHBondContact O-OG 2.79Å; E75-S78 VanDerWaalsContact CA-OG 3.3Å; E75-S78 WeakPolarHBondContact CA-OG 3.49Å; E75-S78 PolarHBondContact O-OG 3.41Å; S78-E80 PolarHBondContact O-N 3.46Å | ||
| 79 | R | 49.7 | Very low | 58.8 | Low | 249 Ų | 249 | 75.5 Ų | 75.5 | 94% | 0.94 | 38% | 0.376 | S | S | * | . | trans | -68.8 | -0 | 157.4 | -76.2 | -175.1 | 177.8 | 178.4 | 0.5 | 113.4 | D77 R81 | D77-R79 PolarHBondContact O-N 3.07Å; D77-R79 VanDerWaalsContact O-N 3.08Å; R79-R81 PolarHBondContact O-N 2.81Å | ||
| 80 | E | 42.3 | Very low | 57.7 | Low | 159 Ų | 159 | 74.7 Ų | 74.7 | 74% | 0.743 | 37% | 0.368 | S | S | * | . | trans | -96.5 | 90.9 | 175.3 | -72.2 | 175.6 | 178.9 | 0 | 0 | 109.2 | S78 E82 | S78-E80 PolarHBondContact O-N 3.46Å; E80-E82 PolarHBondContact O-N 3.5Å | ||
| 81 | R | 45.1 | Very low | 57.1 | Low | 222 Ų | 222 | 75.2 Ų | 75.2 | 84% | 0.838 | 37% | 0.371 | S | S | * | . | trans | -68.7 | 115.1 | 171.3 | -69.8 | 176.5 | 177.1 | 165.6 | -1.4 | 108.5 | R79 E83 | R79-R81 PolarHBondContact O-N 2.81Å; R81-E83 PolarHBondContact O-N 3.07Å; R81-E83 VanDerWaalsContact O-N 3.12Å | ||
| 82 | E | 42.1 | Very low | 57.2 | Low | 80 Ų | 80 | 75.9 Ų | 75.9 | 37% | 0.374 | 38% | 0.377 | S | S | . | . | trans | -60.6 | 110.9 | 151.3 | -68.6 | -170.4 | 142.6 | 0 | 0 | 107 | T56 E80 T84 C87 | T56-E82 HydrophobicContact CG2-CG 4.43Å; T56-E82 WeakPolarHBondContact CG2-OE1 3.45Å; E80-E82 PolarHBondContact O-N 3.5Å; E82-T84 PolarHBondContact O-N 3.49Å; E82-C87 VanDerWaalsContact CD-SG 3.55Å; E82-C87 PolarHBondContact OE1-SG 3.04Å; E82-C87 WeakPolarHBondContact OE2-CB 3.38Å; E82-C87 PolarHBondContact OE2-SG 3.17Å | ||
| 83 | E | 48.8 | Very low | 57.3 | Low | 96 Ų | 96 | 75.8 Ų | 75.8 | 45% | 0.449 | 37% | 0.374 | S | S | . | . | trans | -74.2 | 124.4 | 161.7 | -72 | -160.7 | -156.4 | 0 | 0 | 106.6 | R81 R228 | R81-E83 PolarHBondContact O-N 3.07Å; R81-E83 VanDerWaalsContact O-N 3.12Å; E83-R228 WeakPolarHBondContact OE2-CD 3.46Å; E83-R228 IonicContact OE2-CZ 3.75Å; E83-R228 IonicContact OE2-NE 2.81Å; E83-R228 IonicContact OE2-NH1 3.07Å; E83-R228 PolarHBondContact OE2-NH1 2.73Å | ||
| 84 | T | 38.2 | Very low | 57.6 | Low | 100 Ų | 100 | 74.3 Ų | 74.3 | 61% | 0.613 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -54.9 | 156.8 | -174.4 | 49.4 | 0 | 0 | 0 | 0 | 109.7 | E82 | E82-T84 PolarHBondContact O-N 3.49Š|
| 85 | D | 37.2 | Very low | 58.3 | Low | 56 Ų | 56 | 74.5 Ų | 74.5 | 30% | 0.299 | 37% | 0.367 | S | S | . | . | S | Bend | cis | -140.7 | 47.4 | 32.5 | -60.6 | 35.1 | 0 | 0 | 0 | 115.6 | K378 Y380 | D85-K378 IonicContact OD2-NZ 3.72Å; D85-K378 PolarHBondContact OD2-NZ 2.99Å; D85-Y380 VanDerWaalsContact C-CD1 3.46Å; D85-Y380 HydrophobicContact CB-CD1 3.67Å; D85-Y380 HydrophobicContact CB-CE1 3.39Å; D85-Y380 WeakPolarHBondContact O-CD1 3.43Å; D85-Y380 WeakPolarHBondContact O-CE1 3.47Å |
| 86 | A | 38.9 | Very low | 59 | Low | 21 Ų | 21 | 72 Ų | 72 | 17% | 0.174 | 36% | 0.357 | C | S | . | . | 153.2 | 160.6 | 119.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | M425 R427 | A86-M425 CarbonylContact C-O 3.58Å; A86-M425 VanDerWaalsContact C-O 3.24Å; A86-R427 HydrophobicContact CB-CB 3.87Å; A86-R427 HydrophobicContact CB-CG 3.49Å; A86-R427 VanDerWaalsContact CB-CG 3.49Å | |||
| 87 | C | 36.8 | Very low | 60.3 | Low | 8 Ų | 8 | 67.9 Ų | 67.9 | 5% | 0.054 | 33% | 0.327 | C | S | . | . | trans | -68 | 136 | -168.1 | -158.6 | 0 | 0 | 0 | 0 | 115.5 | E82 | E82-C87 VanDerWaalsContact CD-SG 3.55Å; E82-C87 PolarHBondContact OE1-SG 3.04Å; E82-C87 WeakPolarHBondContact OE2-CB 3.38Å; E82-C87 PolarHBondContact OE2-SG 3.17Å | ||
| 88 | P | 41.8 | Very low | 61.9 | Low | 5 Ų | 5 | 64.4 Ų | 64.4 | 3% | 0.032 | 31% | 0.308 | C | S | . | . | trans | -63.9 | 130 | 171.7 | 18.7 | -25.1 | 0 | 0 | 0 | 115.6 | Y90 F424 M425 | P88-Y90 HydrophobicContact CB-CD2 4.32Å; P88-Y90 HydrophobicContact CB-CE2 3.91Å; P88-Y90 HydrophobicContact CG-CE2 3.64Å; P88-Y90 WeakPolarHBondContact CG-OH 3.38Å; P88-Y90 WeakPolarHBondContact O-CD2 3.46Å; P88-Y90 WeakPolarHBondContact O-CE2 3.48Å; P88-F424 HydrophobicContact CB-CD2 4.17Å; P88-F424 HydrophobicContact CB-CE2 3.45Å; P88-F424 VanDerWaalsContact CB-CE2 3.45Å; P88-F424 HydrophobicContact CB-CZ 4.43Å; P88-M425 HydrophobicContact CB-CE 3.83Å; P88-M425 HydrophobicContact CB-CG 3.72Å; P88-M425 HydrophobicContact CB-SD 4.22Å; P88-M425 HydrophobicContact CG-CE 3.83Å | ||
| 89 | A | 51.1 | Low | 63.8 | Low | 28 Ų | 28 | 62.5 Ų | 62.5 | 23% | 0.231 | 29% | 0.293 | C | S | . | . | trans | -74 | 104.6 | 150.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E60 F424 | E60-A89 WeakPolarHBondContact OE1-CA 3.48Å; E60-A89 WeakPolarHBondContact OE1-CB 3.34Å; E60-A89 WeakPolarHBondContact OE2-CA 3.27Å; A89-F424 VanDerWaalsContact C-CD2 3.49Å; A89-F424 HydrophobicContact CB-CB 3.69Å; A89-F424 HydrophobicContact CB-CD2 3.75Å; A89-F424 HydrophobicContact CB-CG 4.12Å; A89-F424 WeakPolarHBondContact O-CD2 3.43Å; A89-F424 WeakPolarHBondContact O-CE2 3.31Å; A89-F424 WeakPolarHBondContact O-CG 3.46Å | ||
| 90 | Y | 65.1 | Low | 65.7 | Low | 55 Ų | 55 | 55.9 Ų | 55.9 | 22% | 0.216 | 27% | 0.272 | C | S | . | . | trans | -86.3 | -17.4 | 174.6 | -58 | -100.6 | 0 | 0 | 0 | 114.1 | N54 T56 F57 E60 P88 | N54-Y90 PolarHBondContact OD1-OH 2.85Å; T56-Y90 WeakPolarHBondContact OG1-CE2 3.31Å; T56-Y90 PolarHBondContact OG1-OH 3.34Å; F57-Y90 HydrophobicContact CB-CD1 4.49Å; F57-Y90 HydrophobicContact CB-CD2 4.09Å; F57-Y90 HydrophobicContact CB-CE2 4.27Å; F57-Y90 HydrophobicContact CB-CG 4.26Å; F57-Y90 AromaticContact CD2-CD1 3.92Å; F57-Y90 HydrophobicContact CD2-CD1 3.92Å; F57-Y90 AromaticContact CD2-CD2 3.91Å; F57-Y90 HydrophobicContact CD2-CD2 3.91Å; F57-Y90 AromaticContact CD2-CG 3.44Å; F57-Y90 HydrophobicContact CD2-CG 3.44Å; F57-Y90 VanDerWaalsContact CD2-CG 3.44Å; F57-Y90 VanDerWaalsContact CE2-CB 3.4Å; F57-Y90 HydrophobicContact CE2-CG 4.19Å; F57-Y90 HydrophobicContact CG-CG 4.35Å; E60-Y90 VanDerWaalsContact CD-N 3.3Å; E60-Y90 PolarHBondContact OE1-N 2.76Å; E60-Y90 WeakPolarHBondContact OE2-CA 3.47Å; E60-Y90 VanDerWaalsContact OE2-CB 3.29Å; E60-Y90 WeakPolarHBondContact OE2-CB 3.28Å; E60-Y90 WeakPolarHBondContact OE2-CD2 3.06Å; E60-Y90 PolarHBondContact OE2-N 2.61Å; P88-Y90 HydrophobicContact CB-CD2 4.32Å; P88-Y90 HydrophobicContact CB-CE2 3.91Å; P88-Y90 HydrophobicContact CG-CE2 3.64Å; P88-Y90 WeakPolarHBondContact CG-OH 3.38Å; P88-Y90 WeakPolarHBondContact O-CD2 3.46Å; P88-Y90 WeakPolarHBondContact O-CE2 3.48Å | ||
| 91 | L | 77.8 | Confident | 68 | Low | 11 Ų | 11 | 48.3 Ų | 48.3 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -81.1 | 136.5 | 175.9 | -62.5 | 175.8 | 0 | 0 | 0 | 109.9 | L24 F57 E60 L61 T64 L96 | L24-L91 HydrophobicContact CB-CD1 4.37Å; L24-L91 HydrophobicContact CB-CD2 4.06Å; L24-L91 HydrophobicContact CD1-CD1 4.27Å; L24-L91 HydrophobicContact CD2-CD1 4.39Å; F57-L91 HydrophobicContact CE2-CD2 4.05Å; F57-L91 HydrophobicContact CZ-CD2 4.13Å; E60-L91 HydrophobicContact CG-CD1 4.06Å; E60-L91 HydrophobicContact CG-CG 4.25Å; E60-L91 WeakPolarHBondContact OE1-CB 3.3Å; E60-L91 PolarHBondContact OE1-N 2.89Å; E60-L91 VanDerWaalsContact OE1-N 3.07Å; E60-L91 PolarHBondContact OE2-N 3.34Å; E60-L91 VanDerWaalsContact OE2-N 3.14Å; L61-L91 HydrophobicContact CD2-CD1 3.98Å; L61-L91 HydrophobicContact CD2-CD2 3.85Å; L61-L91 HydrophobicContact CD2-CG 4.44Å; L61-L91 HydrophobicContact CG-CD1 4.5Å; T64-L91 HydrophobicContact CG2-CD1 4.43Å; L91-L96 HydrophobicContact CB-CD2 4.07Å; L91-L96 HydrophobicContact CB-CG 4.13Å; L91-L96 HydrophobicContact CD1-CD2 4.06Å |
| 92 | S | 85.4 | Confident | 70.2 | Confident | 37 Ų | 37 | 39.1 Ų | 39.1 | 26% | 0.259 | 20% | 0.203 | S | C | . | . | trans | -66.2 | 144.1 | 180 | 74.5 | 0 | 0 | 0 | 0 | 110.9 | D27 Y94 R95 L96 | D27-S92 VanDerWaalsContact OD2-CB 3.24Å; D27-S92 WeakPolarHBondContact OD2-CB 3.06Å; D27-S92 PolarHBondContact OD2-OG 2.78Å; S92-Y94 PolarHBondContact O-N 2.84Å; S92-Y94 VanDerWaalsContact O-N 3.08Å; S92-R95 PolarHBondContact O-N 2.82Å; S92-R95 VanDerWaalsContact OG-CG 3.25Å; S92-R95 WeakPolarHBondContact OG-CG 3.44Å; S92-R95 PolarHBondContact OG-N 2.75Å; S92-R95 VanDerWaalsContact OG-N 3.13Å; S92-L96 PolarHBondContact O-N 2.78Å | ||
| 93 | E | 85.7 | Confident | 72.5 | Confident | 93 Ų | 93 | 39 Ų | 39 | 44% | 0.435 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -54 | -31.2 | 174.2 | -76 | -166.7 | -163.4 | 0 | 0 | 112.1 | M97 Y172 R175 | E93-M97 VanDerWaalsContact O-CB 3.27Å; E93-M97 WeakPolarHBondContact O-CB 3.26Å; E93-M97 PolarHBondContact O-N 2.62Å; E93-Y172 HydrophobicContact CB-CD2 4.35Å; E93-Y172 HydrophobicContact CB-CE2 3.94Å; E93-R175 IonicContact OE2-CZ 3.84Å; E93-R175 IonicContact OE2-NE 3.91Å; E93-R175 PolarHBondContact OE2-NE 3.3Å; E93-R175 IonicContact OE2-NH2 2.66Å; E93-R175 PolarHBondContact OE2-NH2 3.05Å |
| 94 | Y | 91.4 | Very high | 74.3 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.5 | -48.7 | 175 | 174.5 | -110.3 | 0 | 0 | 0 | 112.2 | S92 M97 L98 E140 S146 K147 V150 Y172 | S92-Y94 PolarHBondContact O-N 2.84Å; S92-Y94 VanDerWaalsContact O-N 3.08Å; Y94-M97 HydrophobicContact CD2-CE 4.03Å; Y94-M97 HydrophobicContact CE2-CE 4.33Å; Y94-M97 WeakPolarHBondContact O-CB 3.21Å; Y94-M97 PolarHBondContact O-N 2.98Å; Y94-L98 HydrophobicContact CD1-CD1 4.36Å; Y94-L98 HydrophobicContact CE1-CD1 3.73Å; Y94-L98 HydrophobicContact CE2-CD1 3.91Å; Y94-L98 HydrophobicContact CE2-CG 4.25Å; Y94-L98 VanDerWaalsContact CZ-CD1 3.48Å; Y94-L98 WeakPolarHBondContact O-CG 3.31Å; Y94-L98 PolarHBondContact O-N 2.86Å; Y94-E140 WeakPolarHBondContact CE1-OE1 3.49Å; Y94-E140 WeakPolarHBondContact OH-CG 3.36Å; Y94-E140 PolarHBondContact OH-OE1 2.95Å; Y94-S146 VanDerWaalsContact CE2-C 3.43Å; Y94-S146 VanDerWaalsContact CE2-O 3.31Å; Y94-S146 WeakPolarHBondContact CE2-O 3.28Å; Y94-K147 HydrophobicContact CD1-CB 4.08Å; Y94-K147 HydrophobicContact CD2-CB 4.39Å; Y94-K147 HydrophobicContact CG-CB 3.96Å; Y94-V150 HydrophobicContact CD2-CG1 4.26Å; Y94-V150 HydrophobicContact CE2-CG1 4.06Å; Y94-Y172 WeakPolarHBondContact CB-OH 3.13Å; Y94-Y172 HydrophobicContact CD2-CE1 4.25Å |
| 95 | R | 93.1 | Very high | 76.7 | Confident | 12 Ų | 12 | 34.2 Ų | 34.2 | 5% | 0.045 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.6 | -41.6 | 176.8 | -69.4 | -72 | 170.3 | -151.2 | -11.8 | 111.5 | F23 L24 D27 S92 M97 L98 Y99 E140 | F23-R95 WeakPolarHBondContact O-CD 3.49Å; L24-R95 HydrophobicContact CD2-CB 4.33Å; D27-R95 IonicContact OD1-CZ 3.83Å; D27-R95 VanDerWaalsContact OD1-CZ 3.32Å; D27-R95 IonicContact OD1-NE 3.57Å; D27-R95 PolarHBondContact OD1-NE 3.44Å; D27-R95 IonicContact OD1-NH2 2.85Å; D27-R95 PolarHBondContact OD1-NH2 3.11Å; D27-R95 VanDerWaalsContact OD2-CG 3.25Å; D27-R95 WeakPolarHBondContact OD2-CG 3.32Å; D27-R95 IonicContact OD2-NE 3.4Å; S92-R95 PolarHBondContact O-N 2.82Å; S92-R95 VanDerWaalsContact OG-CG 3.25Å; S92-R95 WeakPolarHBondContact OG-CG 3.44Å; S92-R95 PolarHBondContact OG-N 2.75Å; S92-R95 VanDerWaalsContact OG-N 3.13Å; R95-M97 VanDerWaalsContact C-N 3.34Å; R95-M97 PolarHBondContact O-N 3.17Å; R95-L98 PolarHBondContact O-N 2.79Å; R95-Y99 WeakPolarHBondContact O-CB 3.46Å; R95-Y99 PolarHBondContact O-N 2.66Å; R95-E140 IonicContact CZ-OE1 3.57Å; R95-E140 IonicContact CZ-OE2 2.74Å; R95-E140 IonicContact NH1-OE1 3.32Å; R95-E140 PolarHBondContact NH1-OE1 3.01Å; R95-E140 IonicContact NH1-OE2 3.02Å; R95-E140 PolarHBondContact NH1-OE2 3Å; R95-E140 IonicContact NH2-OE1 2.91Å; R95-E140 PolarHBondContact NH2-OE1 3.43Å; R95-E140 IonicContact NH2-OE2 2.93Å; R95-E140 PolarHBondContact NH2-OE2 3.09Å |
| 96 | L | 88.8 | Confident | 79.2 | Confident | 56 Ų | 56 | 35.1 Ų | 35.1 | 29% | 0.293 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.3 | -40.8 | 175.6 | -66.6 | 176.2 | 0 | 0 | 0 | 111.9 | T64 L91 S92 K100 | T64-L96 HydrophobicContact CG2-CD2 3.71Å; L91-L96 HydrophobicContact CB-CD2 4.07Å; L91-L96 HydrophobicContact CB-CG 4.13Å; L91-L96 HydrophobicContact CD1-CD2 4.06Å; S92-L96 PolarHBondContact O-N 2.78Å; L96-K100 WeakPolarHBondContact O-CB 3.43Å; L96-K100 PolarHBondContact O-N 3.27Å |
| 97 | M | 93.6 | Very high | 81.6 | Confident | 13 Ų | 13 | 40.3 Ų | 40.3 | 6% | 0.064 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.9 | -50.2 | 175 | -179.4 | -161 | 64.2 | 0 | 0 | 111.1 | E93 Y94 R95 Y99 K100 I101 V150 L153 T168 V169 Y172 | E93-M97 VanDerWaalsContact O-CB 3.27Å; E93-M97 WeakPolarHBondContact O-CB 3.26Å; E93-M97 PolarHBondContact O-N 2.62Å; Y94-M97 HydrophobicContact CD2-CE 4.03Å; Y94-M97 HydrophobicContact CE2-CE 4.33Å; Y94-M97 WeakPolarHBondContact O-CB 3.21Å; Y94-M97 PolarHBondContact O-N 2.98Å; R95-M97 VanDerWaalsContact C-N 3.34Å; R95-M97 PolarHBondContact O-N 3.17Å; M97-Y99 VanDerWaalsContact C-N 3.33Å; M97-Y99 PolarHBondContact O-N 2.68Å; M97-K100 PolarHBondContact O-N 3.14Å; M97-I101 HydrophobicContact CE-CD1 4.43Å; M97-I101 HydrophobicContact CG-CD1 3.83Å; M97-I101 WeakPolarHBondContact O-CD1 2.99Å; M97-I101 VanDerWaalsContact O-CG1 3.22Å; M97-I101 WeakPolarHBondContact O-CG1 3.37Å; M97-I101 PolarHBondContact O-N 2.78Å; M97-I101 HydrophobicContact SD-CD1 4.34Å; M97-V150 HydrophobicContact CE-CG1 4.04Å; M97-L153 HydrophobicContact CE-CD2 3.75Å; M97-T168 HydrophobicContact CG-CG2 4.13Å; M97-V169 HydrophobicContact SD-CB 4.45Å; M97-V169 HydrophobicContact SD-CG1 4.41Å; M97-V169 HydrophobicContact SD-CG2 4.36Å; M97-Y172 HydrophobicContact CE-CD1 4.29Å; M97-Y172 HydrophobicContact CE-CG 4.38Å; M97-Y172 WeakPolarHBondContact SD-CB 3.45Å; M97-Y172 HydrophobicContact SD-CD1 3.91Å; M97-Y172 HydrophobicContact SD-CD2 4.16Å; M97-Y172 HydrophobicContact SD-CG 3.54Å; M97-Y172 VanDerWaalsContact SD-CG 3.54Å |
| 98 | L | 94.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 179.6 | -68.6 | -178.5 | 0 | 0 | 0 | 112.2 | F23 Y94 R95 I101 H102 F136 I145 L153 | F23-L98 HydrophobicContact CE1-CB 3.98Å; F23-L98 HydrophobicContact CZ-CB 3.72Å; F23-L98 HydrophobicContact CZ-CD1 3.73Å; F23-L98 HydrophobicContact CZ-CG 4.39Å; Y94-L98 HydrophobicContact CD1-CD1 4.36Å; Y94-L98 HydrophobicContact CE1-CD1 3.73Å; Y94-L98 HydrophobicContact CE2-CD1 3.91Å; Y94-L98 HydrophobicContact CE2-CG 4.25Å; Y94-L98 VanDerWaalsContact CZ-CD1 3.48Å; Y94-L98 WeakPolarHBondContact O-CG 3.31Å; Y94-L98 PolarHBondContact O-N 2.86Å; R95-L98 PolarHBondContact O-N 2.79Å; L98-I101 PolarHBondContact O-N 3.37Å; L98-H102 PolarHBondContact O-N 2.62Å; L98-F136 HydrophobicContact CB-CD2 4.06Å; L98-F136 HydrophobicContact CB-CE2 4.49Å; L98-F136 HydrophobicContact CD1-CB 4.36Å; L98-F136 HydrophobicContact CD2-CD2 3.99Å; L98-F136 HydrophobicContact CD2-CE2 4.36Å; L98-F136 HydrophobicContact CD2-CG 4.1Å; L98-F136 HydrophobicContact CG-CD2 4.48Å; L98-F136 WeakPolarHBondContact O-CE2 3.37Å; L98-I145 HydrophobicContact CD2-CD1 4.38Å; L98-L153 HydrophobicContact CD2-CD2 3.47Å; L98-L153 VanDerWaalsContact CD2-CD2 3.47Å |
| 99 | Y | 93.3 | Very high | 86.4 | Confident | 8 Ų | 8 | 46.4 Ų | 46.4 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.3 | -41.9 | 177.2 | -167.3 | -90.3 | 0 | 0 | 0 | 111.9 | E20 L24 T64 T65 R95 M97 I101 H102 E103 L133 | E20-Y99 HydrophobicContact CB-CE2 3.98Å; E20-Y99 HydrophobicContact CG-CE2 4.03Å; E20-Y99 PolarHBondContact OE2-OH 3.49Å; L24-Y99 HydrophobicContact CD1-CD2 4.21Å; L24-Y99 HydrophobicContact CD1-CE2 4.32Å; L24-Y99 HydrophobicContact CD2-CD2 3.88Å; L24-Y99 HydrophobicContact CD2-CG 3.96Å; L24-Y99 HydrophobicContact CG-CD2 4.08Å; T64-Y99 HydrophobicContact CG2-CD1 3.71Å; T64-Y99 HydrophobicContact CG2-CE1 4.09Å; T64-Y99 HydrophobicContact CG2-CG 4.1Å; T64-Y99 VanDerWaalsContact O-CE1 3.24Å; T64-Y99 WeakPolarHBondContact O-CE1 3.38Å; T65-Y99 WeakPolarHBondContact CA-OH 3.17Å; T65-Y99 HydrophobicContact CG2-CE2 4.4Å; R95-Y99 WeakPolarHBondContact O-CB 3.46Å; R95-Y99 PolarHBondContact O-N 2.66Å; M97-Y99 VanDerWaalsContact C-N 3.33Å; M97-Y99 PolarHBondContact O-N 2.68Å; Y99-I101 PolarHBondContact O-N 2.94Å; Y99-H102 WeakPolarHBondContact O-CB 3.22Å; Y99-H102 PolarHBondContact O-N 2.69Å; Y99-E103 HydrophobicContact CD1-CG 4.18Å; Y99-E103 HydrophobicContact CE1-CG 3.86Å; Y99-E103 PolarHBondContact O-N 3.5Å; Y99-L133 HydrophobicContact CD2-CD1 4.09Å; Y99-L133 HydrophobicContact CD2-CD2 4.34Å; Y99-L133 HydrophobicContact CE2-CD1 4.17Å |
| 100 | K | 89.8 | Confident | 88.3 | Confident | 111 Ų | 111 | 45.3 Ų | 45.3 | 48% | 0.483 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.6 | -43.3 | 173.9 | -176.7 | 178.1 | 179.2 | -175.6 | 0 | 112.2 | L96 M97 H102 E103 D104 T168 | L96-K100 WeakPolarHBondContact O-CB 3.43Å; L96-K100 PolarHBondContact O-N 3.27Å; M97-K100 PolarHBondContact O-N 3.14Å; K100-H102 VanDerWaalsContact C-N 3.26Å; K100-H102 PolarHBondContact O-N 2.8Å; K100-E103 PolarHBondContact O-N 3.01Å; K100-D104 PolarHBondContact O-N 3.08Å; K100-T168 HydrophobicContact CD-CG2 4.44Å |
| 101 | I | 90.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -39.2 | 176.6 | -67.9 | 165.5 | 0 | 0 | 0 | 110.2 | M97 L98 Y99 D104 L105 F136 L153 M157 L165 T168 V169 | M97-I101 HydrophobicContact CE-CD1 4.43Å; M97-I101 HydrophobicContact CG-CD1 3.83Å; M97-I101 WeakPolarHBondContact O-CD1 2.99Å; M97-I101 VanDerWaalsContact O-CG1 3.22Å; M97-I101 WeakPolarHBondContact O-CG1 3.37Å; M97-I101 PolarHBondContact O-N 2.78Å; M97-I101 HydrophobicContact SD-CD1 4.34Å; L98-I101 PolarHBondContact O-N 3.37Å; Y99-I101 PolarHBondContact O-N 2.94Å; I101-D104 PolarHBondContact O-N 3.41Å; I101-L105 HydrophobicContact CG2-CD1 3.58Å; I101-L105 HydrophobicContact CG2-CG 4.23Å; I101-L105 VanDerWaalsContact O-CB 3.3Å; I101-L105 WeakPolarHBondContact O-CB 3.34Å; I101-L105 WeakPolarHBondContact O-CD1 3.15Å; I101-L105 VanDerWaalsContact O-CG 3.22Å; I101-L105 WeakPolarHBondContact O-CG 3.39Å; I101-L105 PolarHBondContact O-N 2.92Å; I101-F136 HydrophobicContact CB-CE2 4.38Å; I101-F136 HydrophobicContact CB-CZ 4.35Å; I101-F136 HydrophobicContact CG2-CE2 4.09Å; I101-F136 HydrophobicContact CG2-CZ 3.59Å; I101-L153 HydrophobicContact CD1-CD2 3.99Å; I101-M157 HydrophobicContact CG2-CE 4.4Å; I101-M157 HydrophobicContact CG2-SD 3.81Å; I101-L165 HydrophobicContact CB-CD2 4.48Å; I101-L165 HydrophobicContact CG1-CD2 4.17Å; I101-L165 HydrophobicContact CG2-CD1 4.11Å; I101-T168 HydrophobicContact CG1-CG2 4.47Å; I101-V169 HydrophobicContact CD1-CG2 3.45Å; I101-V169 VanDerWaalsContact CD1-CG2 3.45Å |
| 102 | H | 92.1 | Very high | 90.2 | Very high | 29 Ų | 29 | 49.7 Ų | 49.7 | 13% | 0.134 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 175.5 | 163.2 | 46.2 | 0 | 0 | 0 | 113 | L98 Y99 K100 D104 L105 A132 L133 F136 | L98-H102 PolarHBondContact O-N 2.62Å; Y99-H102 WeakPolarHBondContact O-CB 3.22Å; Y99-H102 PolarHBondContact O-N 2.69Å; K100-H102 VanDerWaalsContact C-N 3.26Å; K100-H102 PolarHBondContact O-N 2.8Å; H102-D104 PolarHBondContact O-N 3.01Å; H102-L105 PolarHBondContact O-N 3.38Å; H102-A132 HydrophobicContact CB-CB 3.98Å; H102-L133 HydrophobicContact CB-CD2 3.54Å; H102-L133 HydrophobicContact CB-CG 3.91Å; H102-L133 VanDerWaalsContact CD2-CG 3.41Å; H102-L133 WeakPolarHBondContact CD2-CG 3.27Å; H102-F136 HydrophobicContact CB-CE2 4.36Å |
| 103 | E | 89.6 | Confident | 90.5 | Very high | 76 Ų | 76 | 47.9 Ų | 47.9 | 36% | 0.355 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61 | -34 | 179 | -78.9 | -81.3 | 94.2 | 0 | 0 | 112.8 | R66 Y99 K100 | R66-E103 IonicContact CZ-OE2 3Å; R66-E103 IonicContact NE-OE2 3.38Å; R66-E103 IonicContact NH1-OE2 3.64Å; R66-E103 IonicContact NH2-OE2 2.86Å; Y99-E103 HydrophobicContact CD1-CG 4.18Å; Y99-E103 HydrophobicContact CE1-CG 3.86Å; Y99-E103 PolarHBondContact O-N 3.5Å; K100-E103 PolarHBondContact O-N 3.01Å |
| 104 | D | 86.3 | Confident | 90.9 | Very high | 81 Ų | 81 | 44.5 Ų | 44.5 | 43% | 0.433 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -0.7 | -175.9 | -71.5 | -19.8 | 0 | 0 | 0 | 112.6 | K100 I101 H102 L165 | K100-D104 PolarHBondContact O-N 3.08Å; I101-D104 PolarHBondContact O-N 3.41Å; H102-D104 PolarHBondContact O-N 3.01Å; D104-L165 HydrophobicContact CB-CD1 4.29Å; D104-L165 HydrophobicContact CB-CD2 3.72Å; D104-L165 HydrophobicContact CB-CG 4.44Å |
| 105 | L | 88.9 | Confident | 90.9 | Very high | 16 Ų | 16 | 52 Ų | 52 | 8% | 0.084 | 26% | 0.258 | C | S | . | . | trans | -92.5 | 128.5 | 177 | -93.3 | 163.8 | 0 | 0 | 0 | 111 | I101 H102 K109 V110 L113 A132 F136 L165 | I101-L105 HydrophobicContact CG2-CD1 3.58Å; I101-L105 HydrophobicContact CG2-CG 4.23Å; I101-L105 VanDerWaalsContact O-CB 3.3Å; I101-L105 WeakPolarHBondContact O-CB 3.34Å; I101-L105 WeakPolarHBondContact O-CD1 3.15Å; I101-L105 VanDerWaalsContact O-CG 3.22Å; I101-L105 WeakPolarHBondContact O-CG 3.39Å; I101-L105 PolarHBondContact O-N 2.92Å; H102-L105 PolarHBondContact O-N 3.38Å; L105-K109 HydrophobicContact CD2-CB 3.56Å; L105-V110 HydrophobicContact CB-CG2 4.28Å; L105-L113 HydrophobicContact CD1-CD1 3.75Å; L105-L113 HydrophobicContact CD2-CD1 3.94Å; L105-A132 HydrophobicContact CB-CB 4.46Å; L105-A132 HydrophobicContact CD1-CB 3.7Å; L105-F136 HydrophobicContact CD1-CZ 3.73Å; L105-L165 HydrophobicContact CD2-CD1 4.28Å; L105-L165 HydrophobicContact CG-CD1 3.86Å | ||
| 106 | T | 89.2 | Confident | 90.7 | Very high | 74 Ų | 74 | 54 Ų | 54 | 45% | 0.454 | 27% | 0.269 | S | S | . | . | trans | -83 | 155.7 | 171.5 | 56.1 | 0 | 0 | 0 | 0 | 111.6 | D108 K109 V110 | T106-D108 VanDerWaalsContact C-N 3.27Å; T106-D108 WeakPolarHBondContact CB-OD1 3.31Å; T106-D108 PolarHBondContact O-N 2.95Å; T106-D108 PolarHBondContact OG1-OD1 3.24Å; T106-K109 WeakPolarHBondContact O-CA 3.46Å; T106-K109 WeakPolarHBondContact O-CB 3.41Å; T106-K109 PolarHBondContact O-N 3.12Å; T106-K109 WeakPolarHBondContact OG1-CG 3.33Å; T106-V110 PolarHBondContact O-N 2.72Å | ||
| 107 | D | 89 | Confident | 90.9 | Very high | 131 Ų | 131 | 51.3 Ų | 51.3 | 70% | 0.701 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -56.7 | -38 | -178.3 | -66.6 | -22.9 | 0 | 0 | 0 | 113 | K109 V110 E111 | D107-K109 VanDerWaalsContact C-N 3.26Å; D107-K109 PolarHBondContact O-N 2.97Å; D107-V110 WeakPolarHBondContact O-CB 3.47Å; D107-V110 PolarHBondContact O-N 3.3Å; D107-E111 PolarHBondContact O-N 3.4Å |
| 108 | D | 89 | Confident | 90.7 | Very high | 90 Ų | 90 | 53.9 Ų | 53.9 | 48% | 0.481 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.9 | -34.5 | 176.1 | 69.1 | -74.8 | 0 | 0 | 0 | 112.3 | T106 E111 T112 | T106-D108 VanDerWaalsContact C-N 3.27Å; T106-D108 WeakPolarHBondContact CB-OD1 3.31Å; T106-D108 PolarHBondContact O-N 2.95Å; T106-D108 PolarHBondContact OG1-OD1 3.24Å; D108-E111 PolarHBondContact O-N 3.19Å; D108-T112 PolarHBondContact O-N 2.95Å; D108-T112 PolarHBondContact O-OG1 3.33Å |
| 109 | K | 90.4 | Very high | 90.5 | Very high | 51 Ų | 51 | 60.1 Ų | 60.1 | 22% | 0.222 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -76.2 | -32.5 | 176.5 | -61.5 | -62.8 | 177.6 | 174.1 | 0 | 111.3 | L105 T106 D107 T112 L113 T160 | L105-K109 HydrophobicContact CD2-CB 3.56Å; T106-K109 WeakPolarHBondContact O-CA 3.46Å; T106-K109 WeakPolarHBondContact O-CB 3.41Å; T106-K109 PolarHBondContact O-N 3.12Å; T106-K109 WeakPolarHBondContact OG1-CG 3.33Å; D107-K109 VanDerWaalsContact C-N 3.26Å; D107-K109 PolarHBondContact O-N 2.97Å; K109-T112 WeakPolarHBondContact O-CB 3.49Å; K109-T112 PolarHBondContact O-N 3.16Å; K109-L113 VanDerWaalsContact O-CG 3.31Å; K109-L113 WeakPolarHBondContact O-CG 3.44Å; K109-L113 PolarHBondContact O-N 3.01Å; K109-T160 WeakPolarHBondContact CD-O 3.29Å; K109-T160 WeakPolarHBondContact CE-O 3.23Å; K109-T160 PolarHBondContact NZ-O 2.77Å |
| 110 | V | 91.7 | Very high | 90.5 | Very high | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.03 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 170.5 | 178 | 0 | 0 | 0 | 0 | 111 | L105 T106 D107 T112 L113 K114 A132 V135 | L105-V110 HydrophobicContact CB-CG2 4.28Å; T106-V110 PolarHBondContact O-N 2.72Å; D107-V110 WeakPolarHBondContact O-CB 3.47Å; D107-V110 PolarHBondContact O-N 3.3Å; V110-T112 VanDerWaalsContact C-N 3.33Å; V110-T112 PolarHBondContact O-N 3.26Å; V110-L113 WeakPolarHBondContact O-CB 3.35Å; V110-L113 PolarHBondContact O-N 2.92Å; V110-K114 WeakPolarHBondContact O-CG 3.47Å; V110-K114 PolarHBondContact O-N 3.05Å; V110-A132 HydrophobicContact CG2-CB 3.94Å; V110-V135 HydrophobicContact CG1-CG2 4.21Å |
| 111 | E | 91.9 | Very high | 90.6 | Very high | 107 Ų | 107 | 58.2 Ų | 58.2 | 50% | 0.5 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 174.5 | -68.7 | -53.9 | 129.8 | 0 | 0 | 112.2 | D107 D108 L113 K114 F115 | D107-E111 PolarHBondContact O-N 3.4Å; D108-E111 PolarHBondContact O-N 3.19Å; E111-L113 VanDerWaalsContact C-N 3.34Å; E111-L113 PolarHBondContact O-N 2.81Å; E111-K114 PolarHBondContact O-N 2.79Å; E111-K114 IonicContact OE1-NZ 2.67Å; E111-K114 PolarHBondContact OE1-NZ 3.38Å; E111-K114 IonicContact OE2-NZ 3.52Å; E111-F115 PolarHBondContact O-N 3.31Å |
| 112 | T | 90.8 | Very high | 90.6 | Very high | 50 Ų | 50 | 61 Ų | 61 | 31% | 0.307 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.3 | -43.1 | 173.2 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | D108 K109 V110 K114 F115 L116 T160 | D108-T112 PolarHBondContact O-N 2.95Å; D108-T112 PolarHBondContact O-OG1 3.33Å; K109-T112 WeakPolarHBondContact O-CB 3.49Å; K109-T112 PolarHBondContact O-N 3.16Å; V110-T112 VanDerWaalsContact C-N 3.33Å; V110-T112 PolarHBondContact O-N 3.26Å; T112-K114 PolarHBondContact O-N 3.27Å; T112-F115 WeakPolarHBondContact O-CB 3.25Å; T112-F115 PolarHBondContact O-N 3.38Å; T112-L116 HydrophobicContact CG2-CD1 4.12Å; T112-L116 HydrophobicContact CG2-CG 4.48Å; T112-L116 VanDerWaalsContact O-CG 3.31Å; T112-L116 WeakPolarHBondContact O-CG 3.26Å; T112-L116 PolarHBondContact O-N 3.49Å; T112-T160 HydrophobicContact CG2-CG2 3.87Å |
| 113 | L | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.7 | -47 | 175.8 | -74.9 | 172.1 | 0 | 0 | 0 | 111.8 | L105 K109 V110 E111 F115 L116 V117 F136 L156 M157 T160 | L105-L113 HydrophobicContact CD1-CD1 3.75Å; L105-L113 HydrophobicContact CD2-CD1 3.94Å; K109-L113 VanDerWaalsContact O-CG 3.31Å; K109-L113 WeakPolarHBondContact O-CG 3.44Å; K109-L113 PolarHBondContact O-N 3.01Å; V110-L113 WeakPolarHBondContact O-CB 3.35Å; V110-L113 PolarHBondContact O-N 2.92Å; E111-L113 VanDerWaalsContact C-N 3.34Å; E111-L113 PolarHBondContact O-N 2.81Å; L113-F115 VanDerWaalsContact C-N 3.29Å; L113-F115 PolarHBondContact O-N 2.84Å; L113-L116 PolarHBondContact O-N 3.22Å; L113-V117 WeakPolarHBondContact O-CG2 3.41Å; L113-V117 PolarHBondContact O-N 3.06Å; L113-F136 HydrophobicContact CD1-CE1 4.42Å; L113-L156 HydrophobicContact CD2-CB 3.71Å; L113-L156 HydrophobicContact CD2-CD1 4.39Å; L113-L156 HydrophobicContact CD2-CD2 4.45Å; L113-L156 HydrophobicContact CD2-CG 4.41Å; L113-M157 HydrophobicContact CD1-CE 4.04Å; L113-M157 HydrophobicContact CD2-CE 3.67Å; L113-M157 HydrophobicContact CG-CE 4.44Å; L113-T160 HydrophobicContact CD2-CG2 3.77Å; L113-T160 HydrophobicContact CG-CG2 4.01Å |
| 114 | K | 93 | Very high | 90.3 | Very high | 22 Ų | 22 | 71.1 Ų | 71.1 | 10% | 0.096 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -56.9 | -45.2 | 176.4 | -70.2 | 173.3 | -176.4 | 173 | 0 | 111.4 | V110 E111 T112 L116 V117 N118 L126 S129 V135 | V110-K114 WeakPolarHBondContact O-CG 3.47Å; V110-K114 PolarHBondContact O-N 3.05Å; E111-K114 PolarHBondContact O-N 2.79Å; E111-K114 IonicContact OE1-NZ 2.67Å; E111-K114 PolarHBondContact OE1-NZ 3.38Å; E111-K114 IonicContact OE2-NZ 3.52Å; T112-K114 PolarHBondContact O-N 3.27Å; K114-L116 VanDerWaalsContact C-N 3.33Å; K114-L116 PolarHBondContact O-N 3.23Å; K114-V117 PolarHBondContact O-N 2.83Å; K114-N118 WeakPolarHBondContact O-CB 3.39Å; K114-N118 PolarHBondContact O-N 2.97Å; K114-L126 HydrophobicContact CB-CB 4.49Å; K114-L126 HydrophobicContact CG-CB 4.41Å; K114-L126 HydrophobicContact CG-CD2 4.42Å; K114-L126 WeakPolarHBondContact O-CD1 3.49Å; K114-S129 WeakPolarHBondContact CE-O 3.05Å; K114-S129 PolarHBondContact NZ-O 2.87Å; K114-V135 HydrophobicContact CG-CG2 3.82Å |
| 115 | F | 91.2 | Very high | 90.3 | Very high | 161 Ų | 161 | 70.6 Ų | 70.6 | 71% | 0.706 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59.7 | -44.2 | 178.3 | 179.3 | -98.9 | 0 | 0 | 0 | 111.9 | E111 T112 L113 V117 N118 | E111-F115 PolarHBondContact O-N 3.31Å; T112-F115 WeakPolarHBondContact O-CB 3.25Å; T112-F115 PolarHBondContact O-N 3.38Å; L113-F115 VanDerWaalsContact C-N 3.29Å; L113-F115 PolarHBondContact O-N 2.84Å; F115-V117 VanDerWaalsContact C-N 3.29Å; F115-V117 PolarHBondContact O-N 3.2Å; F115-N118 PolarHBondContact O-N 3.36Å |
| 116 | L | 89.9 | Confident | 90.3 | Very high | 52 Ų | 52 | 70 Ų | 70 | 27% | 0.272 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.6 | -19 | -178.2 | -69 | 173 | 0 | 0 | 0 | 114.6 | T112 L113 K114 L156 N159 T160 | T112-L116 HydrophobicContact CG2-CD1 4.12Å; T112-L116 HydrophobicContact CG2-CG 4.48Å; T112-L116 VanDerWaalsContact O-CG 3.31Å; T112-L116 WeakPolarHBondContact O-CG 3.26Å; T112-L116 PolarHBondContact O-N 3.49Å; L113-L116 PolarHBondContact O-N 3.22Å; K114-L116 VanDerWaalsContact C-N 3.33Å; K114-L116 PolarHBondContact O-N 3.23Å; L116-L156 HydrophobicContact CB-CD2 3.5Å; L116-L156 HydrophobicContact CD1-CD2 3.89Å; L116-L156 HydrophobicContact CG-CD2 4.34Å; L116-N159 HydrophobicContact CD1-CB 3.86Å; L116-T160 HydrophobicContact CD1-CG2 4.12Å |
| 117 | V | 92.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -110.1 | 3.7 | 179.4 | -56.5 | 0 | 0 | 0 | 0 | 113.8 | L113 K114 F115 D119 Q120 I121 L126 M139 L156 | L113-V117 WeakPolarHBondContact O-CG2 3.41Å; L113-V117 PolarHBondContact O-N 3.06Å; K114-V117 PolarHBondContact O-N 2.83Å; F115-V117 VanDerWaalsContact C-N 3.29Å; F115-V117 PolarHBondContact O-N 3.2Å; V117-D119 PolarHBondContact O-N 3.26Å; V117-Q120 PolarHBondContact O-N 3.49Å; V117-I121 HydrophobicContact CB-CD1 4.2Å; V117-I121 HydrophobicContact CG2-CD1 3.89Å; V117-I121 HydrophobicContact CG2-CG1 4.49Å; V117-I121 PolarHBondContact O-N 2.74Å; V117-L126 HydrophobicContact CG2-CD1 4.03Å; V117-L126 HydrophobicContact CG2-CD2 3.84Å; V117-M139 HydrophobicContact CG1-SD 4.46Å; V117-L156 HydrophobicContact CG1-CD1 3.59Å; V117-L156 HydrophobicContact CG1-CD2 3.99Å; V117-L156 HydrophobicContact CG1-CG 4.44Å |
| 118 | N | 90.4 | Very high | 90.1 | Very high | 67 Ų | 67 | 72.6 Ų | 72.6 | 36% | 0.358 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -13.1 | -175.1 | -177.2 | 45.9 | 0 | 0 | 0 | 114.2 | K114 F115 K123 L126 | K114-N118 WeakPolarHBondContact O-CB 3.39Å; K114-N118 PolarHBondContact O-N 2.97Å; F115-N118 PolarHBondContact O-N 3.36Å; N118-K123 WeakPolarHBondContact OD1-CB 3.29Å; N118-L126 HydrophobicContact CB-CD1 3.99Å |
| 119 | D | 89.1 | Confident | 90 | Very high | 132 Ų | 132 | 68.5 Ų | 68.5 | 71% | 0.706 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -23.2 | 171.5 | 65.2 | -25 | 0 | 0 | 0 | 113 | V117 | V117-D119 PolarHBondContact O-N 3.26Š|
| 120 | Q | 92.8 | Very high | 89.8 | Confident | 73 Ų | 73 | 70.3 Ų | 70.3 | 34% | 0.341 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | -25.1 | -176.3 | -70.1 | 154.8 | 84.7 | 0 | 0 | 113 | V117 L144 | V117-Q120 PolarHBondContact O-N 3.49Å; Q120-L144 HydrophobicContact CB-CD1 3.76Å; Q120-L144 HydrophobicContact CB-CD2 4.14Å; Q120-L144 HydrophobicContact CG-CD2 4.28Å |
| 121 | I | 92.1 | Very high | 89.7 | Confident | 6 Ų | 6 | 72.2 Ų | 72.2 | 3% | 0.031 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -119.4 | 136 | 179.2 | -56 | 176.8 | 0 | 0 | 0 | 108.9 | V117 K123 Q125 L126 E138 M139 A142 L144 | V117-I121 HydrophobicContact CB-CD1 4.2Å; V117-I121 HydrophobicContact CG2-CD1 3.89Å; V117-I121 HydrophobicContact CG2-CG1 4.49Å; V117-I121 PolarHBondContact O-N 2.74Å; I121-K123 PolarHBondContact O-N 3.32Å; I121-Q125 HydrophobicContact CG2-CB 4.18Å; I121-L126 HydrophobicContact CB-CD1 4.16Å; I121-L126 HydrophobicContact CB-CD2 4.11Å; I121-L126 HydrophobicContact CB-CG 4.13Å; I121-L126 HydrophobicContact CD1-CD2 4.23Å; I121-L126 HydrophobicContact CG2-CD1 4.37Å; I121-L126 HydrophobicContact CG2-CD2 3.8Å; I121-L126 HydrophobicContact CG2-CG 3.81Å; I121-E138 HydrophobicContact CD1-CB 4.13Å; I121-E138 HydrophobicContact CG2-CB 4.08Å; I121-M139 HydrophobicContact CD1-CB 4.28Å; I121-M139 HydrophobicContact CD1-CG 3.64Å; I121-A142 HydrophobicContact CG1-CB 3.97Å; I121-L144 HydrophobicContact CD1-CD1 4.04Å; I121-L144 HydrophobicContact CG1-CD1 4.01Å |
| 122 | A | 90.4 | Very high | 89.7 | Confident | 57 Ų | 57 | 67.1 Ų | 67.1 | 47% | 0.471 | 34% | 0.337 | S | S | . | . | trans | -62.3 | 129 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | R124 Q125 L126 | A122-R124 PolarHBondContact O-N 2.81Å; A122-Q125 HydrophobicContact CB-CG 4.46Å; A122-Q125 WeakPolarHBondContact O-CA 3.36Å; A122-Q125 WeakPolarHBondContact O-CB 3.42Å; A122-Q125 PolarHBondContact O-N 3.47Å; A122-L126 PolarHBondContact O-N 2.61Å | ||
| 123 | K | 87.3 | Confident | 89.8 | Confident | 131 Ų | 131 | 65 Ų | 65 | 57% | 0.57 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -45.6 | -43.1 | -179.4 | -170.8 | 174.8 | 179 | 177.1 | 0 | 114.1 | N118 I121 Q125 L126 D127 | N118-K123 WeakPolarHBondContact OD1-CB 3.29Å; I121-K123 PolarHBondContact O-N 3.32Å; K123-Q125 PolarHBondContact O-N 3.42Å; K123-L126 PolarHBondContact O-N 2.84Å; K123-L126 VanDerWaalsContact O-N 3.13Å; K123-D127 PolarHBondContact O-N 2.59Å |
| 124 | R | 88 | Confident | 89.8 | Confident | 188 Ų | 188 | 68 Ų | 68 | 71% | 0.709 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -57.9 | -29.9 | 177.4 | -175.4 | -178.9 | -179.5 | -162.9 | 0.5 | 113.9 | A122 K128 | A122-R124 PolarHBondContact O-N 2.81Å; R124-K128 WeakPolarHBondContact O-CG 3.11Å |
| 125 | Q | 87.1 | Confident | 89.8 | Confident | 70 Ų | 70 | 66.9 Ų | 66.9 | 33% | 0.327 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -79.7 | -40.7 | 177.5 | -69 | 170.1 | -28.6 | 0 | 0 | 111 | I121 A122 K123 K128 S129 E138 | I121-Q125 HydrophobicContact CG2-CB 4.18Å; A122-Q125 HydrophobicContact CB-CG 4.46Å; A122-Q125 WeakPolarHBondContact O-CA 3.36Å; A122-Q125 WeakPolarHBondContact O-CB 3.42Å; A122-Q125 PolarHBondContact O-N 3.47Å; K123-Q125 PolarHBondContact O-N 3.42Å; Q125-K128 PolarHBondContact O-N 3.17Å; Q125-S129 PolarHBondContact O-N 3.33Å; Q125-S129 PolarHBondContact O-OG 2.75Å; Q125-E138 HydrophobicContact CB-CG 4.32Å; Q125-E138 WeakPolarHBondContact CB-OE2 3.34Å; Q125-E138 PolarHBondContact OE1-OE2 3.02Å |
| 126 | L | 88.8 | Confident | 90 | Very high | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -67 | -38 | 176.8 | -63.3 | 174 | 0 | 0 | 0 | 112.2 | K114 V117 N118 I121 A122 K123 K128 S129 | K114-L126 HydrophobicContact CB-CB 4.49Å; K114-L126 HydrophobicContact CG-CB 4.41Å; K114-L126 HydrophobicContact CG-CD2 4.42Å; K114-L126 WeakPolarHBondContact O-CD1 3.49Å; V117-L126 HydrophobicContact CG2-CD1 4.03Å; V117-L126 HydrophobicContact CG2-CD2 3.84Å; N118-L126 HydrophobicContact CB-CD1 3.99Å; I121-L126 HydrophobicContact CB-CD1 4.16Å; I121-L126 HydrophobicContact CB-CD2 4.11Å; I121-L126 HydrophobicContact CB-CG 4.13Å; I121-L126 HydrophobicContact CD1-CD2 4.23Å; I121-L126 HydrophobicContact CG2-CD1 4.37Å; I121-L126 HydrophobicContact CG2-CD2 3.8Å; I121-L126 HydrophobicContact CG2-CG 3.81Å; A122-L126 PolarHBondContact O-N 2.61Å; K123-L126 PolarHBondContact O-N 2.84Å; K123-L126 VanDerWaalsContact O-N 3.13Å; L126-K128 PolarHBondContact O-N 2.9Å; L126-S129 WeakPolarHBondContact O-CB 3.23Å; L126-S129 PolarHBondContact O-N 3.41Å |
| 127 | D | 87.4 | Confident | 90.1 | Very high | 113 Ų | 113 | 57.8 Ų | 57.8 | 60% | 0.604 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -27.1 | 176.2 | -67.1 | -20.7 | 0 | 0 | 0 | 112.4 | K123 | K123-D127 PolarHBondContact O-N 2.59Š|
| 128 | K | 85.3 | Confident | 90.1 | Very high | 145 Ų | 145 | 59 Ų | 59 | 63% | 0.63 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -10.7 | 176.3 | -69.4 | 179.7 | 177.2 | -169.3 | 0 | 113.6 | R124 Q125 L126 S130 | R124-K128 WeakPolarHBondContact O-CG 3.11Å; Q125-K128 PolarHBondContact O-N 3.17Å; L126-K128 PolarHBondContact O-N 2.9Å; K128-S130 PolarHBondContact O-N 2.98Å |
| 129 | S | 87.2 | Confident | 90.3 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 3% | 0.028 | 29% | 0.286 | C | S | . | . | trans | -88.3 | 104.2 | -176.4 | -62.9 | 0 | 0 | 0 | 0 | 108.8 | K114 Q125 L126 | K114-S129 WeakPolarHBondContact CE-O 3.05Å; K114-S129 PolarHBondContact NZ-O 2.87Å; Q125-S129 PolarHBondContact O-N 3.33Å; Q125-S129 PolarHBondContact O-OG 2.75Å; L126-S129 WeakPolarHBondContact O-CB 3.23Å; L126-S129 PolarHBondContact O-N 3.41Å | ||
| 130 | S | 85.9 | Confident | 90.5 | Very high | 90 Ų | 90 | 51.7 Ų | 51.7 | 63% | 0.629 | 26% | 0.262 | S | S | * | . | trans | -88.2 | -18.4 | -179 | 51.4 | 0 | 0 | 0 | 0 | 113.8 | K128 | K128-S130 PolarHBondContact O-N 2.98Š| ||
| 131 | T | 90.1 | Very high | 90.3 | Very high | 44 Ų | 44 | 53.8 Ų | 53.8 | 27% | 0.27 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -124.1 | 162.8 | -176.4 | 66.8 | 0 | 0 | 0 | 0 | 111.2 | L133 N134 V135 | T131-L133 PolarHBondContact O-N 3.37Å; T131-N134 PolarHBondContact O-N 3.02Å; T131-N134 PolarHBondContact OG1-N 2.97Å; T131-N134 PolarHBondContact OG1-OD1 3.36Å; T131-V135 PolarHBondContact O-N 3.45Å |
| 132 | A | 92.1 | Very high | 90.3 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.008 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.1 | -37.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | H102 L105 V110 N134 V135 F136 | H102-A132 HydrophobicContact CB-CB 3.98Å; L105-A132 HydrophobicContact CB-CB 4.46Å; L105-A132 HydrophobicContact CD1-CB 3.7Å; V110-A132 HydrophobicContact CG2-CB 3.94Å; A132-N134 VanDerWaalsContact C-N 3.32Å; A132-N134 PolarHBondContact O-N 3.42Å; A132-V135 PolarHBondContact O-N 2.94Å; A132-V135 VanDerWaalsContact O-N 3.15Å; A132-F136 HydrophobicContact CB-CE2 3.89Å; A132-F136 HydrophobicContact CB-CZ 3.96Å; A132-F136 VanDerWaalsContact O-CD2 3.27Å; A132-F136 WeakPolarHBondContact O-CD2 3.01Å; A132-F136 WeakPolarHBondContact O-CG 3.35Å; A132-F136 PolarHBondContact O-N 2.9Å |
| 133 | L | 93.6 | Very high | 90.3 | Very high | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.031 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.3 | -41.1 | 176.7 | -61.2 | -176.6 | 0 | 0 | 0 | 112.4 | E20 F23 Y99 H102 T131 V135 F136 A137 | E20-L133 HydrophobicContact CB-CD1 4.47Å; E20-L133 HydrophobicContact CG-CD1 3.89Å; F23-L133 HydrophobicContact CB-CD1 4.18Å; F23-L133 HydrophobicContact CD1-CD1 4.19Å; F23-L133 HydrophobicContact CD1-CD2 3.69Å; F23-L133 HydrophobicContact CD1-CG 4.4Å; F23-L133 HydrophobicContact CD2-CB 3.95Å; F23-L133 HydrophobicContact CD2-CD2 4.22Å; F23-L133 HydrophobicContact CE1-CD2 3.57Å; F23-L133 HydrophobicContact CE2-CB 4.25Å; F23-L133 HydrophobicContact CE2-CD2 4.1Å; F23-L133 HydrophobicContact CG-CB 4.18Å; F23-L133 HydrophobicContact CG-CD1 4.09Å; F23-L133 HydrophobicContact CG-CD2 4.03Å; F23-L133 HydrophobicContact CG-CG 4.33Å; F23-L133 HydrophobicContact CZ-CD2 3.77Å; Y99-L133 HydrophobicContact CD2-CD1 4.09Å; Y99-L133 HydrophobicContact CD2-CD2 4.34Å; Y99-L133 HydrophobicContact CE2-CD1 4.17Å; H102-L133 HydrophobicContact CB-CD2 3.54Å; H102-L133 HydrophobicContact CB-CG 3.91Å; H102-L133 VanDerWaalsContact CD2-CG 3.41Å; H102-L133 WeakPolarHBondContact CD2-CG 3.27Å; T131-L133 PolarHBondContact O-N 3.37Å; L133-V135 VanDerWaalsContact C-N 3.34Å; L133-F136 HydrophobicContact CD2-CD2 4.32Å; L133-F136 PolarHBondContact O-N 3.35Å; L133-A137 WeakPolarHBondContact O-CB 3.32Å; L133-A137 PolarHBondContact O-N 2.96Å |
| 134 | N | 91.1 | Very high | 90.6 | Very high | 61 Ų | 61 | 50.9 Ų | 50.9 | 33% | 0.326 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65 | -41.1 | 176.9 | -68.6 | 31 | 0 | 0 | 0 | 111.1 | T131 A132 A137 E138 | T131-N134 PolarHBondContact O-N 3.02Å; T131-N134 PolarHBondContact OG1-N 2.97Å; T131-N134 PolarHBondContact OG1-OD1 3.36Å; A132-N134 VanDerWaalsContact C-N 3.32Å; A132-N134 PolarHBondContact O-N 3.42Å; N134-A137 PolarHBondContact O-N 2.99Å; N134-E138 PolarHBondContact O-N 3.35Å; N134-E138 VanDerWaalsContact O-N 3.07Å |
| 135 | V | 93.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.3 | -44.8 | 176.1 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | V110 K114 T131 A132 L133 A137 E138 M139 | V110-V135 HydrophobicContact CG1-CG2 4.21Å; K114-V135 HydrophobicContact CG-CG2 3.82Å; T131-V135 PolarHBondContact O-N 3.45Å; A132-V135 PolarHBondContact O-N 2.94Å; A132-V135 VanDerWaalsContact O-N 3.15Å; L133-V135 VanDerWaalsContact C-N 3.34Å; V135-A137 VanDerWaalsContact C-N 3.35Å; V135-A137 PolarHBondContact O-N 3.31Å; V135-E138 PolarHBondContact O-N 2.86Å; V135-M139 HydrophobicContact CG1-CG 4.41Å; V135-M139 HydrophobicContact CG1-SD 4.01Å; V135-M139 VanDerWaalsContact O-CG 3.28Å; V135-M139 WeakPolarHBondContact O-CG 3.45Å; V135-M139 PolarHBondContact O-N 3.42Å |
| 136 | F | 95.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 175.9 | -58.3 | -29.2 | 0 | 0 | 0 | 111.9 | F23 L98 I101 H102 L105 L113 A132 L133 E138 M139 E140 I145 L153 | F23-F136 HydrophobicContact CE2-CB 4.36Å; L98-F136 HydrophobicContact CB-CD2 4.06Å; L98-F136 HydrophobicContact CB-CE2 4.49Å; L98-F136 HydrophobicContact CD1-CB 4.36Å; L98-F136 HydrophobicContact CD2-CD2 3.99Å; L98-F136 HydrophobicContact CD2-CE2 4.36Å; L98-F136 HydrophobicContact CD2-CG 4.1Å; L98-F136 HydrophobicContact CG-CD2 4.48Å; L98-F136 WeakPolarHBondContact O-CE2 3.37Å; I101-F136 HydrophobicContact CB-CE2 4.38Å; I101-F136 HydrophobicContact CB-CZ 4.35Å; I101-F136 HydrophobicContact CG2-CE2 4.09Å; I101-F136 HydrophobicContact CG2-CZ 3.59Å; H102-F136 HydrophobicContact CB-CE2 4.36Å; L105-F136 HydrophobicContact CD1-CZ 3.73Å; L113-F136 HydrophobicContact CD1-CE1 4.42Å; A132-F136 HydrophobicContact CB-CE2 3.89Å; A132-F136 HydrophobicContact CB-CZ 3.96Å; A132-F136 VanDerWaalsContact O-CD2 3.27Å; A132-F136 WeakPolarHBondContact O-CD2 3.01Å; A132-F136 WeakPolarHBondContact O-CG 3.35Å; A132-F136 PolarHBondContact O-N 2.9Å; L133-F136 HydrophobicContact CD2-CD2 4.32Å; L133-F136 PolarHBondContact O-N 3.35Å; F136-E138 VanDerWaalsContact C-N 3.3Å; F136-E138 PolarHBondContact O-N 3.49Å; F136-M139 HydrophobicContact CD1-SD 4.07Å; F136-M139 WeakPolarHBondContact O-CB 3.46Å; F136-M139 PolarHBondContact O-N 3.29Å; F136-M139 VanDerWaalsContact O-N 3.15Å; F136-E140 WeakPolarHBondContact O-CG 3.41Å; F136-E140 PolarHBondContact O-N 3.48Å; F136-I145 HydrophobicContact CB-CD1 4.2Å; F136-L153 HydrophobicContact CD1-CD1 4.13Å; F136-L153 HydrophobicContact CE1-CD1 3.75Å; F136-L153 HydrophobicContact CZ-CD1 4.47Å |
| 137 | A | 91.2 | Very high | 91.3 | Very high | 22 Ų | 22 | 46.4 Ų | 46.4 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.9 | -33.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | R31 L133 N134 V135 K141 | R31-A137 PolarHBondContact NH1-O 3.36Å; L133-A137 WeakPolarHBondContact O-CB 3.32Å; L133-A137 PolarHBondContact O-N 2.96Å; N134-A137 PolarHBondContact O-N 2.99Å; V135-A137 VanDerWaalsContact C-N 3.35Å; V135-A137 PolarHBondContact O-N 3.31Å; A137-K141 PolarHBondContact O-N 3.1Å; A137-K141 VanDerWaalsContact O-N 3.17Å |
| 138 | E | 92.7 | Very high | 91.4 | Very high | 25 Ų | 25 | 45.3 Ų | 45.3 | 12% | 0.117 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75.4 | -35.5 | 172.8 | -68.4 | -55.2 | 108.3 | 0 | 0 | 112.2 | R31 I121 Q125 N134 V135 F136 E140 K141 A142 | R31-E138 IonicContact CZ-OE1 3.85Å; R31-E138 IonicContact NH2-OE1 3.96Å; R31-E138 PolarHBondContact NH2-OE1 3.25Å; I121-E138 HydrophobicContact CD1-CB 4.13Å; I121-E138 HydrophobicContact CG2-CB 4.08Å; Q125-E138 HydrophobicContact CB-CG 4.32Å; Q125-E138 WeakPolarHBondContact CB-OE2 3.34Å; Q125-E138 PolarHBondContact OE1-OE2 3.02Å; N134-E138 PolarHBondContact O-N 3.35Å; N134-E138 VanDerWaalsContact O-N 3.07Å; V135-E138 PolarHBondContact O-N 2.86Å; F136-E138 VanDerWaalsContact C-N 3.3Å; F136-E138 PolarHBondContact O-N 3.49Å; E138-E140 VanDerWaalsContact C-N 3.33Å; E138-E140 PolarHBondContact O-N 3.23Å; E138-K141 VanDerWaalsContact O-CB 3.3Å; E138-K141 WeakPolarHBondContact O-CB 3.39Å; E138-K141 PolarHBondContact O-N 3.27Å; E138-A142 WeakPolarHBondContact O-CB 3.45Å; E138-A142 PolarHBondContact O-N 3.25Å |
| 139 | M | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.2 | -39.3 | 172.5 | -68.1 | 169.8 | 64 | 0 | 0 | 111.9 | V117 I121 V135 F136 K141 A142 G143 L144 I145 L153 L156 | V117-M139 HydrophobicContact CG1-SD 4.46Å; I121-M139 HydrophobicContact CD1-CB 4.28Å; I121-M139 HydrophobicContact CD1-CG 3.64Å; V135-M139 HydrophobicContact CG1-CG 4.41Å; V135-M139 HydrophobicContact CG1-SD 4.01Å; V135-M139 VanDerWaalsContact O-CG 3.28Å; V135-M139 WeakPolarHBondContact O-CG 3.45Å; V135-M139 PolarHBondContact O-N 3.42Å; F136-M139 HydrophobicContact CD1-SD 4.07Å; F136-M139 WeakPolarHBondContact O-CB 3.46Å; F136-M139 PolarHBondContact O-N 3.29Å; F136-M139 VanDerWaalsContact O-N 3.15Å; M139-K141 VanDerWaalsContact C-N 3.34Å; M139-A142 PolarHBondContact O-N 2.69Å; M139-G143 PolarHBondContact O-N 3.39Å; M139-L144 HydrophobicContact CB-CB 4.27Å; M139-L144 HydrophobicContact CG-CD1 4.38Å; M139-L144 WeakPolarHBondContact O-CB 3.29Å; M139-L144 PolarHBondContact O-N 3.36Å; M139-I145 HydrophobicContact CB-CD1 3.82Å; M139-I145 HydrophobicContact CB-CG1 3.76Å; M139-I145 HydrophobicContact CE-CD1 4.19Å; M139-I145 HydrophobicContact CE-CG2 3.59Å; M139-L153 HydrophobicContact CE-CD1 4.26Å; M139-L156 HydrophobicContact CE-CD1 3.34Å; M139-L156 HydrophobicContact SD-CD1 4.16Å |
| 140 | E | 93.7 | Very high | 92.1 | Very high | 46 Ų | 46 | 41.4 Ų | 41.4 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 171.9 | -72 | -174.5 | 118.7 | 0 | 0 | 111.6 | Y94 R95 F136 E138 A142 G143 I145 | Y94-E140 WeakPolarHBondContact CE1-OE1 3.49Å; Y94-E140 WeakPolarHBondContact OH-CG 3.36Å; Y94-E140 PolarHBondContact OH-OE1 2.95Å; R95-E140 IonicContact CZ-OE1 3.57Å; R95-E140 IonicContact CZ-OE2 2.74Å; R95-E140 IonicContact NH1-OE1 3.32Å; R95-E140 PolarHBondContact NH1-OE1 3.01Å; R95-E140 IonicContact NH1-OE2 3.02Å; R95-E140 PolarHBondContact NH1-OE2 3Å; R95-E140 IonicContact NH2-OE1 2.91Å; R95-E140 PolarHBondContact NH2-OE1 3.43Å; R95-E140 IonicContact NH2-OE2 2.93Å; R95-E140 PolarHBondContact NH2-OE2 3.09Å; F136-E140 WeakPolarHBondContact O-CG 3.41Å; F136-E140 PolarHBondContact O-N 3.48Å; E138-E140 VanDerWaalsContact C-N 3.33Å; E138-E140 PolarHBondContact O-N 3.23Å; E140-A142 VanDerWaalsContact C-N 3.31Å; E140-A142 PolarHBondContact O-N 2.91Å; E140-G143 PolarHBondContact O-N 3.02Å; E140-I145 HydrophobicContact CG-CD1 4.08Å; E140-I145 HydrophobicContact CG-CG1 3.74Å |
| 141 | K | 90.1 | Very high | 92.4 | Very high | 117 Ų | 117 | 40.5 Ų | 40.5 | 51% | 0.509 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.1 | -40.3 | 178.4 | -160 | 179.8 | -177.3 | 166.8 | 0 | 112.6 | A137 E138 M139 G143 | A137-K141 PolarHBondContact O-N 3.1Å; A137-K141 VanDerWaalsContact O-N 3.17Å; E138-K141 VanDerWaalsContact O-CB 3.3Å; E138-K141 WeakPolarHBondContact O-CB 3.39Å; E138-K141 PolarHBondContact O-N 3.27Å; M139-K141 VanDerWaalsContact C-N 3.34Å; K141-G143 PolarHBondContact O-N 3.13Å |
| 142 | A | 91.4 | Very high | 92.5 | Very high | 48 Ų | 48 | 40.2 Ų | 40.2 | 40% | 0.397 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -2.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I121 E138 M139 E140 L144 | I121-A142 HydrophobicContact CG1-CB 3.97Å; E138-A142 WeakPolarHBondContact O-CB 3.45Å; E138-A142 PolarHBondContact O-N 3.25Å; M139-A142 PolarHBondContact O-N 2.69Å; E140-A142 VanDerWaalsContact C-N 3.31Å; E140-A142 PolarHBondContact O-N 2.91Å; A142-L144 HydrophobicContact CB-CD1 4.24Å; A142-L144 HydrophobicContact CB-CG 3.88Å; A142-L144 PolarHBondContact O-N 3.1Å |
| 143 | G | 90.5 | Very high | 92.6 | Very high | 57 Ų | 57 | 40.2 Ų | 40.2 | 59% | 0.588 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 16.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | M139 E140 K141 | M139-G143 PolarHBondContact O-N 3.39Å; E140-G143 PolarHBondContact O-N 3.02Å; K141-G143 PolarHBondContact O-N 3.13Å |
| 144 | L | 92.9 | Very high | 92.6 | Very high | 27 Ų | 27 | 41.8 Ų | 41.8 | 14% | 0.141 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -76.3 | -31.3 | -179.4 | -58.1 | -176.8 | 0 | 0 | 0 | 112.1 | Q120 I121 M139 A142 K152 | Q120-L144 HydrophobicContact CB-CD1 3.76Å; Q120-L144 HydrophobicContact CB-CD2 4.14Å; Q120-L144 HydrophobicContact CG-CD2 4.28Å; I121-L144 HydrophobicContact CD1-CD1 4.04Å; I121-L144 HydrophobicContact CG1-CD1 4.01Å; M139-L144 HydrophobicContact CB-CB 4.27Å; M139-L144 HydrophobicContact CG-CD1 4.38Å; M139-L144 WeakPolarHBondContact O-CB 3.29Å; M139-L144 PolarHBondContact O-N 3.36Å; A142-L144 HydrophobicContact CB-CD1 4.24Å; A142-L144 HydrophobicContact CB-CG 3.88Å; A142-L144 PolarHBondContact O-N 3.1Å; L144-K152 HydrophobicContact CB-CG 4.33Å; L144-K152 WeakPolarHBondContact O-CB 3.42Å |
| 145 | I | 95.3 | Very high | 92.7 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | trans | -135.3 | 150.3 | 176.8 | 65.6 | 175.8 | 0 | 0 | 0 | 109.9 | L98 F136 M139 E140 N149 K152 L153 | L98-I145 HydrophobicContact CD2-CD1 4.38Å; F136-I145 HydrophobicContact CB-CD1 4.2Å; M139-I145 HydrophobicContact CB-CD1 3.82Å; M139-I145 HydrophobicContact CB-CG1 3.76Å; M139-I145 HydrophobicContact CE-CD1 4.19Å; M139-I145 HydrophobicContact CE-CG2 3.59Å; E140-I145 HydrophobicContact CG-CD1 4.08Å; E140-I145 HydrophobicContact CG-CG1 3.74Å; I145-N149 CarbonylContact C-O 3.44Å; I145-N149 WeakPolarHBondContact CA-O 3.46Å; I145-K152 HydrophobicContact CG2-CB 4.36Å; I145-L153 HydrophobicContact CG2-CB 3.83Å | ||
| 146 | S | 93.3 | Very high | 92.6 | Very high | 45 Ų | 45 | 42.7 Ų | 42.7 | 32% | 0.315 | 24% | 0.236 | S | C | . | . | B | Isolated β-bridge | trans | -155.6 | 173.2 | 171.5 | 75.1 | 0 | 0 | 0 | 0 | 109.6 | Y94 D148 N149 | Y94-S146 VanDerWaalsContact CE2-C 3.43Å; Y94-S146 VanDerWaalsContact CE2-O 3.31Å; Y94-S146 WeakPolarHBondContact CE2-O 3.28Å; S146-D148 PolarHBondContact O-N 3.19Å; S146-D148 VanDerWaalsContact O-N 3.08Å; S146-D148 PolarHBondContact OG-N 3.35Å; S146-N149 PolarHBondContact N-O 3.44Å; S146-N149 CarbonylContact O-C 3.52Å; S146-N149 PolarHBondContact O-N 3.47Å; S146-N149 VanDerWaalsContact O-N 3.15Å; S146-N149 VanDerWaalsContact O-O 3.07Å; S146-N149 PolarHBondContact OG-N 2.88Å; S146-N149 VanDerWaalsContact OG-N 3.16Å |
| 147 | K | 90.8 | Very high | 92.5 | Very high | 121 Ų | 121 | 42.7 Ų | 42.7 | 53% | 0.526 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -27.7 | 172.9 | 68.8 | 177.9 | -173.5 | 177 | 0 | 113.6 | Y94 Y172 L176 | Y94-K147 HydrophobicContact CD1-CB 4.08Å; Y94-K147 HydrophobicContact CD2-CB 4.39Å; Y94-K147 HydrophobicContact CG-CB 3.96Å; K147-Y172 WeakPolarHBondContact O-CE1 3.47Å; K147-Y172 PolarHBondContact O-OH 3.42Å; K147-L176 WeakPolarHBondContact O-CD2 3.25Å |
| 148 | D | 90 | Very high | 92.4 | Very high | 90 Ų | 90 | 45.8 Ų | 45.8 | 48% | 0.481 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -7.9 | -175.8 | -55.8 | -53.3 | 0 | 0 | 0 | 112.6 | S146 | S146-D148 PolarHBondContact O-N 3.19Å; S146-D148 VanDerWaalsContact O-N 3.08Å; S146-D148 PolarHBondContact OG-N 3.35Å |
| 149 | N | 91.5 | Very high | 92.1 | Very high | 67 Ų | 67 | 48.3 Ų | 48.3 | 36% | 0.358 | 26% | 0.262 | S | S | . | . | B | Isolated β-bridge | trans | -143.9 | 107.1 | 179.5 | -177.9 | 3 | 0 | 0 | 0 | 110.8 | I145 S146 D151 | I145-N149 CarbonylContact C-O 3.44Å; I145-N149 WeakPolarHBondContact CA-O 3.46Å; S146-N149 PolarHBondContact N-O 3.44Å; S146-N149 CarbonylContact O-C 3.52Å; S146-N149 PolarHBondContact O-N 3.47Å; S146-N149 VanDerWaalsContact O-N 3.15Å; S146-N149 VanDerWaalsContact O-O 3.07Å; S146-N149 PolarHBondContact OG-N 2.88Å; S146-N149 VanDerWaalsContact OG-N 3.16Å; N149-D151 WeakPolarHBondContact OD1-CB 3.06Å; N149-D151 PolarHBondContact OD1-N 3.14Å; N149-D151 VanDerWaalsContact OD1-N 3.12Å |
| 150 | V | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -116.3 | 17.8 | 178.3 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | Y94 M97 K152 L153 H154 V169 Y172 K173 L176 | Y94-V150 HydrophobicContact CD2-CG1 4.26Å; Y94-V150 HydrophobicContact CE2-CG1 4.06Å; M97-V150 HydrophobicContact CE-CG1 4.04Å; V150-K152 PolarHBondContact O-N 2.97Å; V150-L153 HydrophobicContact CB-CB 4.44Å; V150-L153 WeakPolarHBondContact O-CB 3.28Å; V150-L153 PolarHBondContact O-N 3.07Å; V150-H154 PolarHBondContact O-N 3.35Å; V150-V169 HydrophobicContact CB-CG1 3.89Å; V150-V169 HydrophobicContact CG2-CG1 3.79Å; V150-Y172 HydrophobicContact CB-CD1 4.47Å; V150-Y172 HydrophobicContact CG1-CD1 3.81Å; V150-Y172 HydrophobicContact CG1-CE1 3.74Å; V150-Y172 HydrophobicContact CG2-CD1 3.9Å; V150-Y172 HydrophobicContact CG2-CE1 4.44Å; V150-K173 HydrophobicContact CG2-CB 3.73Å; V150-K173 HydrophobicContact CG2-CG 4.26Å; V150-L176 HydrophobicContact CG2-CD1 4.32Å | ||
| 151 | D | 91.9 | Very high | 90.9 | Very high | 70 Ų | 70 | 52.7 Ų | 52.7 | 37% | 0.374 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | -173.3 | -72.6 | -7.2 | 0 | 0 | 0 | 111.8 | N149 L153 H154 E155 K173 | N149-D151 WeakPolarHBondContact OD1-CB 3.06Å; N149-D151 PolarHBondContact OD1-N 3.14Å; N149-D151 VanDerWaalsContact OD1-N 3.12Å; D151-L153 VanDerWaalsContact C-N 3.31Å; D151-L153 PolarHBondContact O-N 2.96Å; D151-H154 PolarHBondContact O-N 3.32Å; D151-E155 PolarHBondContact O-N 3.09Å; D151-K173 VanDerWaalsContact CG-NZ 3.31Å; D151-K173 VanDerWaalsContact OD1-CD 3.27Å; D151-K173 WeakPolarHBondContact OD1-CD 3.24Å; D151-K173 WeakPolarHBondContact OD1-CE 3.49Å; D151-K173 IonicContact OD1-NZ 3.86Å; D151-K173 PolarHBondContact OD1-NZ 3.47Å; D151-K173 IonicContact OD2-NZ 3.35Å |
| 152 | K | 93.6 | Very high | 90.4 | Very high | 39 Ų | 39 | 48.6 Ų | 48.6 | 17% | 0.17 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.9 | -37.7 | 177.4 | -168.5 | 55.2 | 173.7 | 178.7 | 0 | 111.7 | L144 I145 V150 E155 L156 | L144-K152 HydrophobicContact CB-CG 4.33Å; L144-K152 WeakPolarHBondContact O-CB 3.42Å; I145-K152 HydrophobicContact CG2-CB 4.36Å; V150-K152 PolarHBondContact O-N 2.97Å; K152-E155 VanDerWaalsContact CD-OE2 3.26Å; K152-E155 WeakPolarHBondContact CD-OE2 3.39Å; K152-E155 VanDerWaalsContact NZ-CD 3.28Å; K152-E155 IonicContact NZ-OE1 3.82Å; K152-E155 PolarHBondContact NZ-OE1 2.8Å; K152-E155 IonicContact NZ-OE2 3.88Å; K152-E155 PolarHBondContact NZ-OE2 2.71Å; K152-E155 PolarHBondContact O-N 2.96Å; K152-L156 HydrophobicContact CG-CD1 4.22Å; K152-L156 WeakPolarHBondContact O-CB 3.44Å; K152-L156 WeakPolarHBondContact O-CG 3.34Å; K152-L156 PolarHBondContact O-N 2.61Å |
| 153 | L | 94.6 | Very high | 90 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 176.1 | -170.9 | 63.1 | 0 | 0 | 0 | 111.4 | M97 L98 I101 F136 M139 I145 V150 D151 L156 M157 V169 | M97-L153 HydrophobicContact CE-CD2 3.75Å; L98-L153 HydrophobicContact CD2-CD2 3.47Å; L98-L153 VanDerWaalsContact CD2-CD2 3.47Å; I101-L153 HydrophobicContact CD1-CD2 3.99Å; F136-L153 HydrophobicContact CD1-CD1 4.13Å; F136-L153 HydrophobicContact CE1-CD1 3.75Å; F136-L153 HydrophobicContact CZ-CD1 4.47Å; M139-L153 HydrophobicContact CE-CD1 4.26Å; I145-L153 HydrophobicContact CG2-CB 3.83Å; V150-L153 HydrophobicContact CB-CB 4.44Å; V150-L153 WeakPolarHBondContact O-CB 3.28Å; V150-L153 PolarHBondContact O-N 3.07Å; D151-L153 VanDerWaalsContact C-N 3.31Å; D151-L153 PolarHBondContact O-N 2.96Å; L153-L156 PolarHBondContact O-N 3.43Å; L153-M157 HydrophobicContact CD1-CE 4.14Å; L153-M157 WeakPolarHBondContact O-CG 3.19Å; L153-M157 PolarHBondContact O-N 2.89Å; L153-V169 HydrophobicContact CB-CG1 4.22Å; L153-V169 HydrophobicContact CD2-CG1 4.19Å; L153-V169 HydrophobicContact CD2-CG2 3.88Å; L153-V169 HydrophobicContact CG-CG1 4.26Å; L153-V169 HydrophobicContact CG-CG2 3.92Å |
| 154 | H | 93.4 | Very high | 89.7 | Confident | 39 Ų | 39 | 52 Ų | 52 | 18% | 0.181 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63 | -44.3 | 178.6 | -178.9 | -101.7 | 0 | 0 | 0 | 111.7 | V150 D151 L156 M157 I158 A166 V169 | V150-H154 PolarHBondContact O-N 3.35Å; D151-H154 PolarHBondContact O-N 3.32Å; H154-L156 VanDerWaalsContact C-N 3.33Å; H154-L156 PolarHBondContact O-N 3.16Å; H154-M157 PolarHBondContact O-N 2.79Å; H154-I158 VanDerWaalsContact CE1-CD1 3.45Å; H154-I158 WeakPolarHBondContact CE1-CD1 3.17Å; H154-I158 WeakPolarHBondContact O-CG1 3.33Å; H154-I158 PolarHBondContact O-N 2.91Å; H154-I158 VanDerWaalsContact O-N 3.15Å; H154-A166 PolarHBondContact CD2-O 2.85Å; H154-A166 VanDerWaalsContact CD2-O 3.22Å; H154-V169 HydrophobicContact CB-CB 4.26Å; H154-V169 HydrophobicContact CB-CG1 3.7Å |
| 155 | E | 92.8 | Very high | 89.5 | Confident | 80 Ų | 80 | 50.9 Ų | 50.9 | 37% | 0.374 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.7 | -47 | 173.4 | -172.6 | -157.5 | 137.6 | 0 | 0 | 111.2 | D151 K152 M157 I158 N159 | D151-E155 PolarHBondContact O-N 3.09Å; K152-E155 VanDerWaalsContact CD-OE2 3.26Å; K152-E155 WeakPolarHBondContact CD-OE2 3.39Å; K152-E155 VanDerWaalsContact NZ-CD 3.28Å; K152-E155 IonicContact NZ-OE1 3.82Å; K152-E155 PolarHBondContact NZ-OE1 2.8Å; K152-E155 IonicContact NZ-OE2 3.88Å; K152-E155 PolarHBondContact NZ-OE2 2.71Å; K152-E155 PolarHBondContact O-N 2.96Å; E155-M157 PolarHBondContact O-N 3.38Å; E155-I158 WeakPolarHBondContact O-CB 3.41Å; E155-I158 PolarHBondContact O-N 3.48Å; E155-N159 VanDerWaalsContact O-CG 3.29Å; E155-N159 PolarHBondContact O-N 2.9Å; E155-N159 PolarHBondContact O-ND2 2.88Å |
| 156 | L | 91.9 | Very high | 89.2 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65 | -38.4 | 179.5 | -70.9 | 168.8 | 0 | 0 | 0 | 112.8 | L113 L116 V117 M139 K152 L153 H154 I158 N159 T160 | L113-L156 HydrophobicContact CD2-CB 3.71Å; L113-L156 HydrophobicContact CD2-CD1 4.39Å; L113-L156 HydrophobicContact CD2-CD2 4.45Å; L113-L156 HydrophobicContact CD2-CG 4.41Å; L116-L156 HydrophobicContact CB-CD2 3.5Å; L116-L156 HydrophobicContact CD1-CD2 3.89Å; L116-L156 HydrophobicContact CG-CD2 4.34Å; V117-L156 HydrophobicContact CG1-CD1 3.59Å; V117-L156 HydrophobicContact CG1-CD2 3.99Å; V117-L156 HydrophobicContact CG1-CG 4.44Å; M139-L156 HydrophobicContact CE-CD1 3.34Å; M139-L156 HydrophobicContact SD-CD1 4.16Å; K152-L156 HydrophobicContact CG-CD1 4.22Å; K152-L156 WeakPolarHBondContact O-CB 3.44Å; K152-L156 WeakPolarHBondContact O-CG 3.34Å; K152-L156 PolarHBondContact O-N 2.61Å; L153-L156 PolarHBondContact O-N 3.43Å; H154-L156 VanDerWaalsContact C-N 3.33Å; H154-L156 PolarHBondContact O-N 3.16Å; L156-I158 VanDerWaalsContact C-N 3.27Å; L156-I158 PolarHBondContact O-N 2.96Å; L156-N159 PolarHBondContact O-N 3.44Å; L156-T160 WeakPolarHBondContact O-CB 3.44Å; L156-T160 WeakPolarHBondContact O-CG2 3.26Å; L156-T160 PolarHBondContact O-N 3.4Å; L156-T160 PolarHBondContact O-OG1 2.91Å |
| 157 | M | 93.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.8 | -31 | 175 | -67.3 | -54.7 | 97.8 | 0 | 0 | 112.7 | I101 L113 L153 H154 E155 T160 N162 L165 A166 V169 | I101-M157 HydrophobicContact CG2-CE 4.4Å; I101-M157 HydrophobicContact CG2-SD 3.81Å; L113-M157 HydrophobicContact CD1-CE 4.04Å; L113-M157 HydrophobicContact CD2-CE 3.67Å; L113-M157 HydrophobicContact CG-CE 4.44Å; L153-M157 HydrophobicContact CD1-CE 4.14Å; L153-M157 WeakPolarHBondContact O-CG 3.19Å; L153-M157 PolarHBondContact O-N 2.89Å; H154-M157 PolarHBondContact O-N 2.79Å; E155-M157 PolarHBondContact O-N 3.38Å; M157-T160 WeakPolarHBondContact CA-OG1 3.32Å; M157-T160 PolarHBondContact O-OG1 3.37Å; M157-N162 PolarHBondContact O-N 3.18Å; M157-N162 VanDerWaalsContact O-N 3.11Å; M157-L165 HydrophobicContact CB-CB 4.48Å; M157-L165 HydrophobicContact CG-CB 4.12Å; M157-L165 HydrophobicContact SD-CB 3.64Å; M157-L165 HydrophobicContact SD-CD1 4.12Å; M157-A166 HydrophobicContact CB-CB 3.8Å; M157-V169 HydrophobicContact CG-CG2 3.77Å |
| 158 | I | 88.3 | Confident | 88.8 | Confident | 87 Ų | 87 | 52 Ų | 52 | 45% | 0.446 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -70.9 | -48.7 | 172.2 | -67.3 | 168.8 | 0 | 0 | 0 | 110.2 | H154 E155 L156 T160 D161 A166 | H154-I158 VanDerWaalsContact CE1-CD1 3.45Å; H154-I158 WeakPolarHBondContact CE1-CD1 3.17Å; H154-I158 WeakPolarHBondContact O-CG1 3.33Å; H154-I158 PolarHBondContact O-N 2.91Å; H154-I158 VanDerWaalsContact O-N 3.15Å; E155-I158 WeakPolarHBondContact O-CB 3.41Å; E155-I158 PolarHBondContact O-N 3.48Å; L156-I158 VanDerWaalsContact C-N 3.27Å; L156-I158 PolarHBondContact O-N 2.96Å; I158-T160 PolarHBondContact O-N 3.08Å; I158-D161 PolarHBondContact O-N 2.81Å; I158-A166 HydrophobicContact CG1-CB 3.89Å |
| 159 | N | 86 | Confident | 88.8 | Confident | 78 Ų | 78 | 47.7 Ų | 47.7 | 42% | 0.417 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.2 | -13.3 | -176.4 | -67.2 | -14.9 | 0 | 0 | 0 | 113.7 | L116 E155 L156 D161 | L116-N159 HydrophobicContact CD1-CB 3.86Å; E155-N159 VanDerWaalsContact O-CG 3.29Å; E155-N159 PolarHBondContact O-N 2.9Å; E155-N159 PolarHBondContact O-ND2 2.88Å; L156-N159 PolarHBondContact O-N 3.44Å; N159-D161 VanDerWaalsContact C-N 3.35Å |
| 160 | T | 83.3 | Confident | 88.8 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 5.5 | 173.3 | 45.7 | 0 | 0 | 0 | 0 | 112.6 | K109 T112 L113 L116 L156 M157 I158 N162 | K109-T160 WeakPolarHBondContact CD-O 3.29Å; K109-T160 WeakPolarHBondContact CE-O 3.23Å; K109-T160 PolarHBondContact NZ-O 2.77Å; T112-T160 HydrophobicContact CG2-CG2 3.87Å; L113-T160 HydrophobicContact CD2-CG2 3.77Å; L113-T160 HydrophobicContact CG-CG2 4.01Å; L116-T160 HydrophobicContact CD1-CG2 4.12Å; L156-T160 WeakPolarHBondContact O-CB 3.44Å; L156-T160 WeakPolarHBondContact O-CG2 3.26Å; L156-T160 PolarHBondContact O-N 3.4Å; L156-T160 PolarHBondContact O-OG1 2.91Å; M157-T160 WeakPolarHBondContact CA-OG1 3.32Å; M157-T160 PolarHBondContact O-OG1 3.37Å; I158-T160 PolarHBondContact O-N 3.08Å; T160-N162 PolarHBondContact O-N 3.2Å |
| 161 | D | 79.2 | Confident | 88.5 | Confident | 137 Ų | 137 | 50.7 Ų | 50.7 | 73% | 0.733 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 23.1 | -174.7 | -62.5 | -47 | 0 | 0 | 0 | 114.2 | I158 N159 V163 | I158-D161 PolarHBondContact O-N 2.81Å; N159-D161 VanDerWaalsContact C-N 3.35Å; D161-V163 PolarHBondContact O-N 3.17Å |
| 162 | N | 80.7 | Confident | 88.3 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 17% | 0.166 | 26% | 0.255 | C | S | . | . | trans | -97.5 | 74.4 | -178 | -154.7 | -40.3 | 0 | 0 | 0 | 111.6 | M157 T160 P164 L165 A166 | M157-N162 PolarHBondContact O-N 3.18Å; M157-N162 VanDerWaalsContact O-N 3.11Å; T160-N162 PolarHBondContact O-N 3.2Å; N162-P164 WeakPolarHBondContact OD1-CD 3.44Å; N162-L165 HydrophobicContact CB-CB 4.18Å; N162-L165 HydrophobicContact CB-CD1 4.29Å; N162-L165 HydrophobicContact CB-CG 4.4Å; N162-L165 VanDerWaalsContact CG-CD1 3.48Å; N162-L165 VanDerWaalsContact ND2-CD1 3.27Å; N162-L165 WeakPolarHBondContact ND2-CD1 3.49Å; N162-L165 PolarHBondContact O-N 3.47Å; N162-L165 VanDerWaalsContact O-N 3.11Å; N162-L165 VanDerWaalsContact OD1-CG 3.26Å; N162-L165 WeakPolarHBondContact OD1-CG 3.5Å; N162-L165 PolarHBondContact OD1-N 2.86Å; N162-A166 PolarHBondContact O-N 2.86Å | ||
| 163 | V | 81.8 | Confident | 88.1 | Confident | 90 Ų | 90 | 50.2 Ų | 50.2 | 55% | 0.545 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -54.3 | -42 | -176.9 | -178.9 | 0 | 0 | 0 | 0 | 113.5 | D161 A166 K167 | D161-V163 PolarHBondContact O-N 3.17Å; V163-A166 PolarHBondContact O-N 3.16Å; V163-K167 WeakPolarHBondContact O-CG 3.41Å; V163-K167 PolarHBondContact O-N 2.94Å |
| 164 | P | 84.7 | Confident | 87.7 | Confident | 87 Ų | 87 | 55.5 Ų | 55.5 | 57% | 0.565 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.9 | -40.1 | 175.4 | -24.1 | 35.4 | 0 | 0 | 0 | 113.8 | N162 K167 T168 | N162-P164 WeakPolarHBondContact OD1-CD 3.44Å; P164-K167 PolarHBondContact O-N 3.43Å; P164-T168 PolarHBondContact O-N 3.48Å; P164-T168 PolarHBondContact O-OG1 2.93Å |
| 165 | L | 88.3 | Confident | 87.2 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.7 | -37.7 | 177.7 | -64.2 | -176.1 | 0 | 0 | 0 | 111.9 | I101 D104 L105 M157 N162 K167 T168 V169 | I101-L165 HydrophobicContact CB-CD2 4.48Å; I101-L165 HydrophobicContact CG1-CD2 4.17Å; I101-L165 HydrophobicContact CG2-CD1 4.11Å; D104-L165 HydrophobicContact CB-CD1 4.29Å; D104-L165 HydrophobicContact CB-CD2 3.72Å; D104-L165 HydrophobicContact CB-CG 4.44Å; L105-L165 HydrophobicContact CD2-CD1 4.28Å; L105-L165 HydrophobicContact CG-CD1 3.86Å; M157-L165 HydrophobicContact CB-CB 4.48Å; M157-L165 HydrophobicContact CG-CB 4.12Å; M157-L165 HydrophobicContact SD-CB 3.64Å; M157-L165 HydrophobicContact SD-CD1 4.12Å; N162-L165 HydrophobicContact CB-CB 4.18Å; N162-L165 HydrophobicContact CB-CD1 4.29Å; N162-L165 HydrophobicContact CB-CG 4.4Å; N162-L165 VanDerWaalsContact CG-CD1 3.48Å; N162-L165 VanDerWaalsContact ND2-CD1 3.27Å; N162-L165 WeakPolarHBondContact ND2-CD1 3.49Å; N162-L165 PolarHBondContact O-N 3.47Å; N162-L165 VanDerWaalsContact O-N 3.11Å; N162-L165 VanDerWaalsContact OD1-CG 3.26Å; N162-L165 WeakPolarHBondContact OD1-CG 3.5Å; N162-L165 PolarHBondContact OD1-N 2.86Å; L165-K167 VanDerWaalsContact C-N 3.3Å; L165-K167 PolarHBondContact O-N 3.25Å; L165-T168 WeakPolarHBondContact O-CA 3.45Å; L165-T168 WeakPolarHBondContact O-CB 3.44Å; L165-T168 PolarHBondContact O-N 2.95Å; L165-V169 WeakPolarHBondContact O-CG2 3.5Å; L165-V169 PolarHBondContact O-N 3.14Å |
| 166 | A | 89.3 | Confident | 86.4 | Confident | 8 Ų | 8 | 58.7 Ų | 58.7 | 7% | 0.066 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | H154 M157 I158 N162 V163 T168 V169 K170 | H154-A166 PolarHBondContact CD2-O 2.85Å; H154-A166 VanDerWaalsContact CD2-O 3.22Å; M157-A166 HydrophobicContact CB-CB 3.8Å; I158-A166 HydrophobicContact CG1-CB 3.89Å; N162-A166 PolarHBondContact O-N 2.86Å; V163-A166 PolarHBondContact O-N 3.16Å; A166-T168 VanDerWaalsContact C-N 3.31Å; A166-T168 PolarHBondContact O-N 3.13Å; A166-V169 PolarHBondContact O-N 2.98Å; A166-K170 WeakPolarHBondContact O-CB 3.21Å; A166-K170 PolarHBondContact O-N 3.19Å |
| 167 | K | 88.1 | Confident | 85.2 | Confident | 146 Ų | 146 | 63.3 Ų | 63.3 | 64% | 0.635 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.2 | -37.1 | 173 | -74.5 | 178 | -178.8 | 179.1 | 0 | 112.7 | V163 P164 L165 K170 G171 | V163-K167 WeakPolarHBondContact O-CG 3.41Å; V163-K167 PolarHBondContact O-N 2.94Å; P164-K167 PolarHBondContact O-N 3.43Å; L165-K167 VanDerWaalsContact C-N 3.3Å; L165-K167 PolarHBondContact O-N 3.25Å; K167-K170 PolarHBondContact O-N 2.67Å; K167-G171 PolarHBondContact O-N 3.03Å |
| 168 | T | 87.9 | Confident | 83.4 | Confident | 38 Ų | 38 | 69.5 Ų | 69.5 | 23% | 0.233 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63 | -47.6 | 176.8 | -61.6 | 0 | 0 | 0 | 0 | 110.9 | M97 K100 I101 P164 L165 A166 G171 Y172 | M97-T168 HydrophobicContact CG-CG2 4.13Å; K100-T168 HydrophobicContact CD-CG2 4.44Å; I101-T168 HydrophobicContact CG1-CG2 4.47Å; P164-T168 PolarHBondContact O-N 3.48Å; P164-T168 PolarHBondContact O-OG1 2.93Å; L165-T168 WeakPolarHBondContact O-CA 3.45Å; L165-T168 WeakPolarHBondContact O-CB 3.44Å; L165-T168 PolarHBondContact O-N 2.95Å; A166-T168 VanDerWaalsContact C-N 3.31Å; A166-T168 PolarHBondContact O-N 3.13Å; T168-G171 PolarHBondContact O-N 3.3Å; T168-Y172 PolarHBondContact O-N 3.18Å |
| 169 | V | 91 | Very high | 81.6 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 176.5 | -175 | 0 | 0 | 0 | 0 | 111.4 | M97 I101 V150 L153 H154 M157 L165 A166 G171 Y172 K173 | M97-V169 HydrophobicContact SD-CB 4.45Å; M97-V169 HydrophobicContact SD-CG1 4.41Å; M97-V169 HydrophobicContact SD-CG2 4.36Å; I101-V169 HydrophobicContact CD1-CG2 3.45Å; I101-V169 VanDerWaalsContact CD1-CG2 3.45Å; V150-V169 HydrophobicContact CB-CG1 3.89Å; V150-V169 HydrophobicContact CG2-CG1 3.79Å; L153-V169 HydrophobicContact CB-CG1 4.22Å; L153-V169 HydrophobicContact CD2-CG1 4.19Å; L153-V169 HydrophobicContact CD2-CG2 3.88Å; L153-V169 HydrophobicContact CG-CG1 4.26Å; L153-V169 HydrophobicContact CG-CG2 3.92Å; H154-V169 HydrophobicContact CB-CB 4.26Å; H154-V169 HydrophobicContact CB-CG1 3.7Å; M157-V169 HydrophobicContact CG-CG2 3.77Å; L165-V169 WeakPolarHBondContact O-CG2 3.5Å; L165-V169 PolarHBondContact O-N 3.14Å; A166-V169 PolarHBondContact O-N 2.98Å; V169-G171 VanDerWaalsContact C-N 3.34Å; V169-G171 PolarHBondContact O-N 3.06Å; V169-Y172 WeakPolarHBondContact O-CB 3.36Å; V169-Y172 PolarHBondContact O-N 2.97Å; V169-K173 WeakPolarHBondContact O-CB 3.23Å; V169-K173 PolarHBondContact O-N 3.02Å |
| 170 | K | 90 | Very high | 79.6 | Confident | 105 Ų | 105 | 70 Ų | 70 | 46% | 0.457 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60 | -45.5 | 176.3 | -170.4 | 175.3 | 175.6 | 178.9 | 0 | 111.6 | A166 K167 Y172 K173 D174 | A166-K170 WeakPolarHBondContact O-CB 3.21Å; A166-K170 PolarHBondContact O-N 3.19Å; K167-K170 PolarHBondContact O-N 2.67Å; K170-Y172 PolarHBondContact O-N 2.9Å; K170-K173 WeakPolarHBondContact O-CB 3.31Å; K170-K173 PolarHBondContact O-N 3.43Å; K170-K173 VanDerWaalsContact O-N 3.1Å; K170-D174 WeakPolarHBondContact O-CB 3.22Å; K170-D174 VanDerWaalsContact O-CG 3.22Å; K170-D174 PolarHBondContact O-N 3.12Å |
| 171 | G | 88.1 | Confident | 77.7 | Confident | 25 Ų | 25 | 76.4 Ų | 76.4 | 26% | 0.258 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.3 | -33.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K167 T168 V169 R175 | K167-G171 PolarHBondContact O-N 3.03Å; T168-G171 PolarHBondContact O-N 3.3Å; V169-G171 VanDerWaalsContact C-N 3.34Å; V169-G171 PolarHBondContact O-N 3.06Å; G171-R175 VanDerWaalsContact C-NH1 3.34Å; G171-R175 WeakPolarHBondContact O-CG 3.37Å; G171-R175 PolarHBondContact O-NH1 2.98Å |
| 172 | Y | 88.3 | Confident | 75.7 | Confident | 22 Ų | 22 | 73.4 Ų | 73.4 | 9% | 0.086 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -70.9 | -48.3 | 170.7 | -179.7 | -90.8 | 0 | 0 | 0 | 111.6 | E93 Y94 M97 K147 V150 T168 V169 K170 D174 R175 L176 | E93-Y172 HydrophobicContact CB-CD2 4.35Å; E93-Y172 HydrophobicContact CB-CE2 3.94Å; Y94-Y172 WeakPolarHBondContact CB-OH 3.13Å; Y94-Y172 HydrophobicContact CD2-CE1 4.25Å; M97-Y172 HydrophobicContact CE-CD1 4.29Å; M97-Y172 HydrophobicContact CE-CG 4.38Å; M97-Y172 WeakPolarHBondContact SD-CB 3.45Å; M97-Y172 HydrophobicContact SD-CD1 3.91Å; M97-Y172 HydrophobicContact SD-CD2 4.16Å; M97-Y172 HydrophobicContact SD-CG 3.54Å; M97-Y172 VanDerWaalsContact SD-CG 3.54Å; K147-Y172 WeakPolarHBondContact O-CE1 3.47Å; K147-Y172 PolarHBondContact O-OH 3.42Å; V150-Y172 HydrophobicContact CB-CD1 4.47Å; V150-Y172 HydrophobicContact CG1-CD1 3.81Å; V150-Y172 HydrophobicContact CG1-CE1 3.74Å; V150-Y172 HydrophobicContact CG2-CD1 3.9Å; V150-Y172 HydrophobicContact CG2-CE1 4.44Å; T168-Y172 PolarHBondContact O-N 3.18Å; V169-Y172 WeakPolarHBondContact O-CB 3.36Å; V169-Y172 PolarHBondContact O-N 2.97Å; K170-Y172 PolarHBondContact O-N 2.9Å; Y172-D174 VanDerWaalsContact C-N 3.35Å; Y172-D174 PolarHBondContact O-N 3.19Å; Y172-R175 WeakPolarHBondContact O-CB 3.32Å; Y172-R175 PolarHBondContact O-N 3.18Å; Y172-L176 HydrophobicContact CD1-CD1 4.27Å; Y172-L176 HydrophobicContact CD1-CG 4.39Å; Y172-L176 HydrophobicContact CE1-CD1 3.91Å; Y172-L176 HydrophobicContact CE1-CD2 3.81Å; Y172-L176 HydrophobicContact CE1-CG 4.04Å; Y172-L176 PolarHBondContact O-N 3.5Å |
| 173 | K | 88.7 | Confident | 73.4 | Confident | 76 Ų | 76 | 76.2 Ų | 76.2 | 33% | 0.33 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -56.3 | -44.3 | 178.9 | -177.8 | 176.5 | 169 | 165.9 | 0 | 112.9 | V150 D151 V169 K170 R175 L176 | V150-K173 HydrophobicContact CG2-CB 3.73Å; V150-K173 HydrophobicContact CG2-CG 4.26Å; D151-K173 VanDerWaalsContact CG-NZ 3.31Å; D151-K173 VanDerWaalsContact OD1-CD 3.27Å; D151-K173 WeakPolarHBondContact OD1-CD 3.24Å; D151-K173 WeakPolarHBondContact OD1-CE 3.49Å; D151-K173 IonicContact OD1-NZ 3.86Å; D151-K173 PolarHBondContact OD1-NZ 3.47Å; D151-K173 IonicContact OD2-NZ 3.35Å; V169-K173 WeakPolarHBondContact O-CB 3.23Å; V169-K173 PolarHBondContact O-N 3.02Å; K170-K173 WeakPolarHBondContact O-CB 3.31Å; K170-K173 PolarHBondContact O-N 3.43Å; K170-K173 VanDerWaalsContact O-N 3.1Å; K173-R175 PolarHBondContact O-N 3.12Å; K173-R175 VanDerWaalsContact O-N 3.15Å; K173-L176 WeakPolarHBondContact O-CB 3.49Å; K173-L176 PolarHBondContact O-N 3.3Å |
| 174 | D | 86.3 | Confident | 70.8 | Confident | 111 Ų | 111 | 75.4 Ų | 75.4 | 59% | 0.594 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -16.3 | -179.5 | -66.7 | -16 | 0 | 0 | 0 | 112.3 | K170 Y172 | K170-D174 WeakPolarHBondContact O-CB 3.22Å; K170-D174 VanDerWaalsContact O-CG 3.22Å; K170-D174 PolarHBondContact O-N 3.12Å; Y172-D174 VanDerWaalsContact C-N 3.35Å; Y172-D174 PolarHBondContact O-N 3.19Å |
| 175 | R | 83.7 | Confident | 68.4 | Low | 149 Ų | 149 | 77.4 Ų | 77.4 | 56% | 0.562 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -12 | 174 | -64.2 | -170.4 | -57.5 | -100.6 | 15.5 | 113.4 | E93 G171 Y172 K173 | E93-R175 IonicContact OE2-CZ 3.84Å; E93-R175 IonicContact OE2-NE 3.91Å; E93-R175 PolarHBondContact OE2-NE 3.3Å; E93-R175 IonicContact OE2-NH2 2.66Å; E93-R175 PolarHBondContact OE2-NH2 3.05Å; G171-R175 VanDerWaalsContact C-NH1 3.34Å; G171-R175 WeakPolarHBondContact O-CG 3.37Å; G171-R175 PolarHBondContact O-NH1 2.98Å; Y172-R175 WeakPolarHBondContact O-CB 3.32Å; Y172-R175 PolarHBondContact O-N 3.18Å; K173-R175 PolarHBondContact O-N 3.12Å; K173-R175 VanDerWaalsContact O-N 3.15Å |
| 176 | L | 76.2 | Confident | 65.4 | Low | 37 Ų | 37 | 84 Ų | 84 | 19% | 0.194 | 53% | 0.528 | C | S | . | . | S | Bend | trans | -72.3 | 144.8 | 176.6 | -64.6 | 175.7 | 0 | 0 | 0 | 110.7 | K147 V150 Y172 K173 | K147-L176 WeakPolarHBondContact O-CD2 3.25Å; V150-L176 HydrophobicContact CG2-CD1 4.32Å; Y172-L176 HydrophobicContact CD1-CD1 4.27Å; Y172-L176 HydrophobicContact CD1-CG 4.39Å; Y172-L176 HydrophobicContact CE1-CD1 3.91Å; Y172-L176 HydrophobicContact CE1-CD2 3.81Å; Y172-L176 HydrophobicContact CE1-CG 4.04Å; Y172-L176 PolarHBondContact O-N 3.5Å; K173-L176 WeakPolarHBondContact O-CB 3.49Å; K173-L176 PolarHBondContact O-N 3.3Å |
| 177 | P | 65.8 | Low | 62.5 | Low | 99 Ų | 99 | 90.5 Ų | 90.5 | 64% | 0.643 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 144.6 | 171.9 | 25.3 | -32 | 0 | 0 | 0 | 110.1 | T179 | P177-T179 PolarHBondContact O-N 3.31Š|
| 178 | P | 55.1 | Low | 59.7 | Low | 130 Ų | 130 | 92.9 Ų | 92.9 | 84% | 0.844 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 118.3 | -177.9 | 22.4 | -31.5 | 0 | 0 | 0 | 109.9 | G180 | P178-G180 PolarHBondContact O-N 3.28Š|
| 179 | T | 50.5 | Low | 56.9 | Low | 113 Ų | 113 | 96.4 Ų | 96.4 | 69% | 0.693 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -65 | 120.2 | 170.5 | 37.6 | 0 | 0 | 0 | 0 | 108 | P177 | P177-T179 PolarHBondContact O-N 3.31Š|
| 180 | G | 44 | Very low | 54.3 | Low | 62 Ų | 62 | 101.3 Ų | 101.3 | 64% | 0.639 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 150 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | P178 G182 | P178-G180 PolarHBondContact O-N 3.28Å; G180-G182 PolarHBondContact O-N 3.41Å |
| 181 | P | 45 | Very low | 51.5 | Low | 135 Ų | 135 | 105 Ų | 105 | 88% | 0.877 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 126 | -177.9 | 14.5 | -13.8 | 0 | 0 | 0 | 109.9 | ||
| 182 | G | 35.6 | Very low | 48.9 | Very low | 75 Ų | 75 | 113 Ų | 113 | 77% | 0.773 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 145.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | G180 G184 | G180-G182 PolarHBondContact O-N 3.41Å; G182-G184 PolarHBondContact O-N 2.68Å |
| 183 | G | 34.2 | Very low | 46.2 | Very low | 90 Ų | 90 | 120.8 Ų | 120.8 | 93% | 0.928 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 125.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 184 | G | 26.6 | Very low | 43.6 | Very low | 72 Ų | 72 | 123.6 Ų | 123.6 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | -115 | 126.2 | 152.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | G182 | G182-G184 PolarHBondContact O-N 2.68Š| ||
| 185 | V | 33.1 | Very low | 40.9 | Very low | 130 Ų | 130 | 126.3 Ų | 126.3 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | trans | -56.6 | 131 | 179.6 | -176.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 186 | N | 26.8 | Very low | 38.8 | Very low | 141 Ų | 141 | 124.6 Ų | 124.6 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | -179.8 | 121.1 | 127.9 | -89.8 | -23.4 | 0 | 0 | 0 | 114.1 | |||||
| 187 | N | 27.5 | Very low | 37.1 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | 42.2 | 115.5 | 144 | -67.6 | -10.6 | 0 | 0 | 0 | 121.5 | S189 | N187-S189 PolarHBondContact O-N 3.48Š| ||
| 188 | H | 30.6 | Very low | 36.4 | Very low | 196 Ų | 196 | 129.1 Ų | 129.1 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | trans | -36.8 | 126.2 | 157 | -68.1 | -77.9 | 0 | 0 | 0 | 114.3 | ||||
| 189 | S | 29.1 | Very low | 36.3 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -139 | 121.3 | 132.9 | 48.7 | 0 | 0 | 0 | 0 | 107.9 | N187 Q191 | N187-S189 PolarHBondContact O-N 3.48Å; S189-Q191 PolarHBondContact O-N 3.08Å | ||
| 190 | A | 35.5 | Very low | 36.8 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -69.5 | 120.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 191 | Q | 30.8 | Very low | 38.2 | Very low | 182 Ų | 182 | 133.1 Ų | 133.1 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -123.9 | 120.8 | 154.7 | -75.2 | -172.9 | -8.3 | 0 | 0 | 108 | S189 E193 | S189-Q191 PolarHBondContact O-N 3.08Å; Q191-E193 PolarHBondContact O-N 3.39Å | ||
| 192 | Q | 34.7 | Very low | 40.3 | Very low | 193 Ų | 193 | 130.6 Ų | 130.6 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | trans | -72.5 | 99.5 | -177 | -159 | 165 | 5.7 | 0 | 0 | 106.9 | T194 | Q192-T194 PolarHBondContact O-N 3.39Š| ||
| 193 | E | 31.3 | Very low | 43 | Very low | 186 Ų | 186 | 128.5 Ų | 128.5 | 87% | 0.869 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 116.4 | 172.7 | -77.8 | -175.4 | 171 | 0 | 0 | 109.2 | Q191 | Q191-E193 PolarHBondContact O-N 3.39Š|
| 194 | T | 32.7 | Very low | 45.8 | Very low | 135 Ų | 135 | 125.1 Ų | 125.1 | 83% | 0.828 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 122.6 | 167.9 | 18.7 | 0 | 0 | 0 | 0 | 107.5 | Q192 | Q192-T194 PolarHBondContact O-N 3.39Š|
| 195 | M | 29.9 | Very low | 48.8 | Very low | 168 Ų | 168 | 125.4 Ų | 125.4 | 83% | 0.828 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 131.2 | 179.9 | -68 | -78 | -82.2 | 0 | 0 | 110.5 | ||
| 196 | P | 39.3 | Very low | 51.6 | Low | 112 Ų | 112 | 120.2 Ų | 120.2 | 73% | 0.727 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 137.1 | 172.5 | 28.3 | -31.4 | 0 | 0 | 0 | 109.4 | E198 | P196-E198 PolarHBondContact O-N 2.86Å; P196-E198 VanDerWaalsContact O-N 3.17Å |
| 197 | S | 41.8 | Very low | 54.5 | Low | 119 Ų | 119 | 118.6 Ų | 118.6 | 83% | 0.832 | 65% | 0.649 | S | S | * | * | trans | -59.3 | 114.9 | 175.3 | 54.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 198 | E | 51.2 | Low | 57.5 | Low | 112 Ų | 112 | 115.9 Ų | 115.9 | 52% | 0.523 | 63% | 0.632 | S | S | . | * | trans | -66.8 | 136.8 | 178.8 | -62.4 | -178.4 | 154 | 0 | 0 | 110.9 | P196 I200 R406 | P196-E198 PolarHBondContact O-N 2.86Å; P196-E198 VanDerWaalsContact O-N 3.17Å; E198-I200 PolarHBondContact O-N 2.82Å; E198-I200 VanDerWaalsContact O-N 3.13Å; E198-R406 IonicContact OE1-CZ 2.8Å; E198-R406 IonicContact OE1-NH1 3.64Å; E198-R406 PolarHBondContact OE1-NH1 3.46Å; E198-R406 IonicContact OE2-CZ 3.14Å; E198-R406 IonicContact OE2-NH1 2.66Å; E198-R406 PolarHBondContact OE2-NH1 3.37Å | ||
| 199 | D | 53.2 | Low | 60.2 | Low | 118 Ų | 118 | 113.1 Ų | 113.1 | 63% | 0.631 | 62% | 0.624 | S | S | * | * | trans | -67.3 | 108.2 | 175.3 | -156.8 | -12.6 | 0 | 0 | 0 | 108.8 | D201 E202 | D199-D201 PolarHBondContact O-N 3Å; D199-E202 PolarHBondContact O-N 3.1Å; D199-E202 VanDerWaalsContact O-N 3.09Å | ||
| 200 | I | 60 | Low | 63.2 | Low | 162 Ų | 162 | 110 Ų | 110 | 83% | 0.831 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -21.8 | -170.4 | -62.5 | 170 | 0 | 0 | 0 | 111.6 | E198 | E198-I200 PolarHBondContact O-N 2.82Å; E198-I200 VanDerWaalsContact O-N 3.13Å |
| 201 | D | 74.3 | Confident | 66 | Low | 110 Ų | 110 | 106.5 Ų | 106.5 | 59% | 0.588 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -8.2 | -177.1 | -154.2 | 32.3 | 0 | 0 | 0 | 114.5 | D199 F203 K440 | D199-D201 PolarHBondContact O-N 3Å; D201-F203 VanDerWaalsContact C-N 3.35Å; D201-F203 PolarHBondContact O-N 3.15Å; D201-K440 WeakPolarHBondContact O-CD 3.39Å; D201-K440 WeakPolarHBondContact OD1-CE 3.35Å; D201-K440 IonicContact OD1-NZ 3.32Å; D201-K440 PolarHBondContact OD1-NZ 3.04Å |
| 202 | E | 88.2 | Confident | 69 | Low | 82 Ų | 82 | 97.8 Ų | 97.8 | 38% | 0.383 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -73.4 | -25.4 | -177.2 | -167.8 | -170.9 | 163.6 | 0 | 0 | 112.8 | D199 R441 | D199-E202 PolarHBondContact O-N 3.1Å; D199-E202 VanDerWaalsContact O-N 3.09Å; E202-R441 HydrophobicContact CG-CG 4.39Å; E202-R441 WeakPolarHBondContact O-CB 3.35Å; E202-R441 PolarHBondContact O-N 2.85Å; E202-R441 WeakPolarHBondContact OE1-CD 3.48Å; E202-R441 IonicContact OE1-CZ 3.4Å; E202-R441 IonicContact OE1-NE 3.54Å; E202-R441 IonicContact OE1-NH1 2.88Å; E202-R441 PolarHBondContact OE1-NH1 2.68Å |
| 203 | F | 91.6 | Very high | 71.9 | Confident | 30 Ų | 30 | 88.8 Ų | 88.8 | 13% | 0.132 | 48% | 0.483 | C | S | . | . | B | Isolated β-bridge | trans | -121.3 | 148.4 | -170.9 | -62.9 | -89.7 | 0 | 0 | 0 | 113.7 | D201 R441 V443 | D201-F203 VanDerWaalsContact C-N 3.35Å; D201-F203 PolarHBondContact O-N 3.15Å; F203-R441 VanDerWaalsContact CA-O 3.28Å; F203-R441 WeakPolarHBondContact CA-O 3.35Å; F203-R441 HydrophobicContact CD1-CB 3.59Å; F203-R441 HydrophobicContact CE1-CB 3.7Å; F203-R441 HydrophobicContact CG-CB 4.36Å; F203-V443 HydrophobicContact CD1-CG2 3.82Å; F203-V443 HydrophobicContact CE1-CG2 3.76Å |
| 204 | Y | 92.8 | Very high | 75.1 | Confident | 19 Ų | 19 | 79.9 Ų | 79.9 | 8% | 0.075 | 44% | 0.442 | C | S | . | . | trans | -69.7 | 132.4 | 165 | -70.3 | -75.9 | 0 | 0 | 0 | 110.6 | G318 P320 D366 L438 T439 K440 R441 L442 | Y204-G318 WeakPolarHBondContact CE1-O 3.28Å; Y204-P320 HydrophobicContact CD1-CG 4.29Å; Y204-P320 HydrophobicContact CD2-CB 4.44Å; Y204-P320 HydrophobicContact CD2-CG 4.42Å; Y204-P320 HydrophobicContact CE2-CB 4.38Å; Y204-P320 HydrophobicContact CG-CG 4.15Å; Y204-D366 HydrophobicContact CE1-CB 4.45Å; Y204-D366 WeakPolarHBondContact OH-CB 3.32Å; Y204-D366 PolarHBondContact OH-OD1 2.95Å; Y204-L438 HydrophobicContact CE2-CB 4.33Å; Y204-L438 HydrophobicContact CE2-CD2 4Å; Y204-T439 PolarHBondContact OH-N 3.34Å; Y204-T439 PolarHBondContact OH-OG1 3.5Å; Y204-K440 HydrophobicContact CD1-CB 4.25Å; Y204-K440 HydrophobicContact CD1-CD 4.37Å; Y204-K440 HydrophobicContact CD2-CB 3.71Å; Y204-K440 HydrophobicContact CE1-CB 4.21Å; Y204-K440 HydrophobicContact CE1-CG 4.39Å; Y204-K440 HydrophobicContact CE2-CB 3.68Å; Y204-K440 WeakPolarHBondContact CE2-O 3.4Å; Y204-K440 HydrophobicContact CG-CB 4.01Å; Y204-R441 PolarHBondContact N-O 3.33Å; Y204-L442 HydrophobicContact CD2-CB 3.92Å; Y204-L442 HydrophobicContact CD2-CD1 4.23Å | ||
| 205 | S | 90.5 | Very high | 78.2 | Confident | 79 Ų | 79 | 73.6 Ų | 73.6 | 55% | 0.552 | 40% | 0.403 | S | S | * | . | trans | -78.9 | 124 | 174.4 | -170.8 | 0 | 0 | 0 | 0 | 110.6 | T207 | S205-T207 WeakPolarHBondContact OG-CG2 3.49Å; S205-T207 PolarHBondContact OG-OG1 3.45Å | ||
| 206 | L | 91.1 | Very high | 81.5 | Confident | 21 Ų | 21 | 65.6 Ų | 65.6 | 11% | 0.11 | 36% | 0.363 | C | S | . | . | trans | -119.9 | 60.8 | 179.7 | -67 | -173.2 | 0 | 0 | 0 | 110.8 | R211 D278 A279 L442 L444 | L206-R211 PolarHBondContact O-NE 3.29Å; L206-D278 VanDerWaalsContact CA-OD2 3.28Å; L206-D278 WeakPolarHBondContact CA-OD2 3.4Å; L206-D278 HydrophobicContact CD2-CB 3.63Å; L206-A279 HydrophobicContact CD2-CB 4.27Å; L206-L442 HydrophobicContact CD1-CD1 3.86Å; L206-L442 HydrophobicContact CD2-CD1 4.3Å; L206-L442 HydrophobicContact CG-CD1 4.29Å; L206-L444 HydrophobicContact CD1-CD2 3.72Å | ||
| 207 | T | 89.3 | Confident | 84.2 | Confident | 107 Ų | 107 | 60.3 Ų | 60.3 | 66% | 0.656 | 33% | 0.329 | S | S | * | . | trans | -102.3 | -16.1 | -169.1 | 48.2 | 0 | 0 | 0 | 0 | 114.8 | S205 D278 | S205-T207 WeakPolarHBondContact OG-CG2 3.49Å; S205-T207 PolarHBondContact OG-OG1 3.45Å; T207-D278 PolarHBondContact N-OD2 2.8Å | ||
| 208 | Q | 88.8 | Confident | 86.8 | Confident | 86 Ų | 86 | 54.7 Ų | 54.7 | 40% | 0.402 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -72.1 | 153.8 | 179.9 | -61.1 | -69.3 | -21.5 | 0 | 0 | 111.2 | P210 R211 D278 | Q208-P210 CarbonylContact C-O 3.54Å; Q208-P210 WeakPolarHBondContact CB-O 3.47Å; Q208-P210 CarbonylContact O-C 3.44Å; Q208-R211 WeakPolarHBondContact O-CG 3.19Å; Q208-R211 PolarHBondContact O-N 3.19Å; Q208-D278 WeakPolarHBondContact CA-OD2 3.15Å; Q208-D278 VanDerWaalsContact CB-OD2 3.3Å; Q208-D278 WeakPolarHBondContact CB-OD2 3.42Å; Q208-D278 WeakPolarHBondContact CG-OD1 3.42Å; Q208-D278 PolarHBondContact N-OD2 3.2Å |
| 209 | N | 87.8 | Confident | 88.9 | Confident | 139 Ų | 139 | 49.3 Ų | 49.3 | 74% | 0.743 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -134.1 | 106.2 | 172.8 | -173.1 | 10.1 | 0 | 0 | 0 | 109.2 | ||
| 210 | P | 91.5 | Very high | 90.7 | Very high | 47 Ų | 47 | 45.9 Ų | 45.9 | 31% | 0.305 | 25% | 0.245 | S | C | . | . | S | Bend | cis | -70.9 | 152.6 | 4 | 31.3 | -35.9 | 0 | 0 | 0 | 112.9 | Q208 G212 G248 V250 | Q208-P210 CarbonylContact C-O 3.54Å; Q208-P210 WeakPolarHBondContact CB-O 3.47Å; Q208-P210 CarbonylContact O-C 3.44Å; P210-G212 PolarHBondContact O-N 3.28Å; P210-G248 WeakPolarHBondContact CA-O 3.34Å; P210-V250 HydrophobicContact CB-CG2 3.61Å; P210-V250 HydrophobicContact CG-CG2 4.01Å |
| 211 | R | 94.8 | Very high | 92 | Very high | 29 Ų | 29 | 39.9 Ų | 39.9 | 11% | 0.109 | 22% | 0.215 | C | C | . | . | trans | -68.2 | -21.3 | 173.6 | -70.8 | -170.1 | -178.1 | 153.3 | -1.9 | 112.9 | L206 Q208 F247 G248 F249 D278 A279 R445 | L206-R211 PolarHBondContact O-NE 3.29Å; Q208-R211 WeakPolarHBondContact O-CG 3.19Å; Q208-R211 PolarHBondContact O-N 3.19Å; R211-F247 WeakPolarHBondContact CD-O 3.25Å; R211-F247 PolarHBondContact NH1-O 2.88Å; R211-G248 PolarHBondContact N-O 2.82Å; R211-F249 HydrophobicContact CB-CE2 4.33Å; R211-F249 HydrophobicContact CB-CZ 4.34Å; R211-D278 WeakPolarHBondContact O-CA 3.19Å; R211-D278 WeakPolarHBondContact O-CB 3.3Å; R211-D278 PolarHBondContact O-N 2.66Å; R211-A279 PolarHBondContact O-N 3.11Å; R211-R445 PolarHBondContact NH1-O 3.03Å; R211-R445 PolarHBondContact NH2-O 3Å | ||
| 212 | G | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.4 | -173.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | P210 F249 V250 E277 A279 | P210-G212 PolarHBondContact O-N 3.28Å; G212-F249 CarbonylContact O-C 3.47Å; G212-F249 WeakPolarHBondContact O-CA 3.42Å; G212-F249 WeakPolarHBondContact O-CB 3.31Å; G212-F249 WeakPolarHBondContact O-CD1 3.37Å; G212-V250 PolarHBondContact O-N 2.65Å; G212-E277 WeakPolarHBondContact CA-OE2 3.18Å; G212-A279 WeakPolarHBondContact CA-O 3.34Å |
| 213 | C | 95.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.02 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 142.3 | 176.6 | -169.9 | 0 | 0 | 0 | 0 | 112.3 | I252 E277 L280 V281 | C213-I252 WeakPolarHBondContact SG-CD1 3.18Å; C213-E277 PolarHBondContact N-OE2 2.9Å; C213-E277 VanDerWaalsContact N-OE2 3.14Å; C213-L280 HydrophobicContact CB-CD1 4.49Å; C213-V281 PolarHBondContact O-N 3.39Å |
| 214 | C | 97.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 106.8 | 167.8 | 177.1 | 0 | 0 | 0 | 0 | 109.2 | F244 F249 V250 P251 I252 V281 | C214-F244 HydrophobicContact CB-CB 3.99Å; C214-F244 HydrophobicContact CB-CG 4.25Å; C214-F249 HydrophobicContact CB-CB 4.03Å; C214-V250 PolarHBondContact N-O 3.37Å; C214-P251 CarbonylContact O-C 3.52Å; C214-P251 WeakPolarHBondContact O-CA 3.39Å; C214-I252 PolarHBondContact O-N 2.95Å; C214-V281 CarbonylContact C-O 3.52Å; C214-V281 VanDerWaalsContact CA-O 3.32Å; C214-V281 WeakPolarHBondContact CA-O 3.19Å; C214-V281 HydrophobicContact CB-CB 4.09Å |
| 215 | V | 98.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 125.7 | 179.6 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | I217 I252 M265 L269 V281 V282 C283 | V215-I217 HydrophobicContact CG1-CG1 4.31Å; V215-I252 WeakPolarHBondContact CA-O 3.16Å; V215-M265 HydrophobicContact CG1-CE 3.82Å; V215-M265 HydrophobicContact CG1-SD 4.02Å; V215-L269 HydrophobicContact CB-CD2 4.3Å; V215-L269 HydrophobicContact CG2-CD1 4.22Å; V215-L269 HydrophobicContact CG2-CD2 3.59Å; V215-V281 PolarHBondContact N-O 3.5Å; V215-V282 CarbonylContact O-C 3.51Å; V215-V282 WeakPolarHBondContact O-CA 3.4Å; V215-C283 PolarHBondContact O-N 3.03Å |
| 216 | I | 98.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 111.1 | 179.3 | -59.1 | 163.1 | 0 | 0 | 0 | 108.4 | L240 I252 I253 H254 C283 L285 | I216-L240 HydrophobicContact CD1-CB 3.68Å; I216-L240 HydrophobicContact CG1-CB 4.36Å; I216-L240 HydrophobicContact CG2-CD1 4.37Å; I216-I252 PolarHBondContact N-O 3.14Å; I216-I253 HydrophobicContact CB-CG1 4.25Å; I216-I253 HydrophobicContact CD1-CG1 4.1Å; I216-I253 CarbonylContact O-C 3.53Å; I216-I253 WeakPolarHBondContact O-CA 3.24Å; I216-H254 PolarHBondContact O-N 2.62Å; I216-C283 CarbonylContact C-O 3.56Å; I216-C283 WeakPolarHBondContact CA-O 3.45Å; I216-C283 HydrophobicContact CG1-CB 4.12Å; I216-C283 HydrophobicContact CG2-CB 4.45Å; I216-L285 HydrophobicContact CG2-CD1 3.66Å |
| 217 | I | 97.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 111.5 | 173.2 | -51.4 | 178.4 | 0 | 0 | 0 | 108 | V215 L257 I262 M265 L266 C283 V284 L285 | V215-I217 HydrophobicContact CG1-CG1 4.31Å; I217-L257 HydrophobicContact CG2-CD1 4.27Å; I217-I262 HydrophobicContact CD1-CG2 4.12Å; I217-I262 HydrophobicContact CG2-CD1 4.49Å; I217-I262 HydrophobicContact CG2-CG1 4.23Å; I217-M265 HydrophobicContact CD1-CE 3.31Å; I217-M265 HydrophobicContact CG1-CE 3.55Å; I217-L266 HydrophobicContact CD1-CD1 4.49Å; I217-L266 HydrophobicContact CD1-CD2 4.31Å; I217-L266 HydrophobicContact CD1-CG 4.45Å; I217-C283 PolarHBondContact N-O 3.31Å; I217-V284 HydrophobicContact CB-CG1 4.48Å; I217-V284 HydrophobicContact CD1-CG2 4.2Å; I217-L285 PolarHBondContact O-N 3.15Å |
| 218 | S | 96.4 | Very high | 88.2 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 99.8 | -175.6 | -161.2 | 0 | 0 | 0 | 0 | 111.1 | D237 H254 T255 N256 | S218-D237 WeakPolarHBondContact CB-OD1 3.38Å; S218-D237 WeakPolarHBondContact CB-OD2 3.28Å; S218-D237 VanDerWaalsContact OG-CG 3.28Å; S218-D237 PolarHBondContact OG-OD1 2.94Å; S218-D237 PolarHBondContact OG-OD2 3.07Å; S218-D237 VanDerWaalsContact OG-OD2 3.14Å; S218-H254 PolarHBondContact N-O 3.36Å; S218-T255 CarbonylContact O-C 3.58Å; S218-T255 VanDerWaalsContact O-CA 3.26Å; S218-T255 WeakPolarHBondContact O-CA 3.39Å; S218-N256 PolarHBondContact O-N 3.12Å |
| 219 | N | 94 | Very high | 87.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -95.2 | 109.7 | 176.9 | -75.5 | -3.9 | 0 | 0 | 0 | 109.5 | F222 R230 N256 L257 L285 S286 I294 T296 | N219-F222 HydrophobicContact CB-CE1 4.24Å; N219-F222 HydrophobicContact CB-CE2 4.04Å; N219-F222 HydrophobicContact CB-CZ 3.49Å; N219-F222 VanDerWaalsContact CB-CZ 3.49Å; N219-F222 VanDerWaalsContact O-CE2 3.29Å; N219-F222 WeakPolarHBondContact O-CE2 3.38Å; N219-R230 WeakPolarHBondContact O-CD 3.34Å; N219-R230 PolarHBondContact O-NH1 3.31Å; N219-N256 WeakPolarHBondContact OD1-CA 2.99Å; N219-N256 PolarHBondContact OD1-N 3.28Å; N219-L257 PolarHBondContact ND2-O 2.99Å; N219-L257 PolarHBondContact OD1-N 2.71Å; N219-L257 PolarHBondContact OD1-O 3.13Å; N219-L285 PolarHBondContact N-O 3.33Å; N219-S286 WeakPolarHBondContact CB-OG 3.46Å; N219-I294 PolarHBondContact ND2-O 3.31Å; N219-T296 HydrophobicContact CB-CG2 4.1Å | ||
| 220 | E | 90.3 | Very high | 87.5 | Confident | 45 Ų | 45 | 41.2 Ų | 41.2 | 21% | 0.21 | 22% | 0.221 | C | C | . | . | trans | -105.2 | -48.2 | 178.4 | 169.7 | 162 | 158.6 | 0 | 0 | 112 | F222 K229 R230 N256 | E220-F222 WeakPolarHBondContact O-CD2 3.45Å; E220-K229 HydrophobicContact CG-CG 4.08Å; E220-K229 CarbonylContact O-C 3.57Å; E220-K229 WeakPolarHBondContact O-CA 3.43Å; E220-K229 WeakPolarHBondContact O-CG 3.33Å; E220-K229 WeakPolarHBondContact OE1-CE 3.25Å; E220-R230 VanDerWaalsContact CG-O 3.22Å; E220-R230 WeakPolarHBondContact CG-O 3.42Å; E220-R230 PolarHBondContact O-N 2.96Å; E220-N256 WeakPolarHBondContact CA-OD1 2.97Å; E220-N256 PolarHBondContact N-OD1 3.18Å | ||
| 221 | D | 88.8 | Confident | 86.7 | Confident | 37 Ų | 37 | 42.9 Ų | 42.9 | 20% | 0.198 | 23% | 0.227 | C | C | . | . | trans | -97.9 | 113.9 | -171.8 | -155.8 | -38.7 | 0 | 0 | 0 | 111.5 | T223 K229 N256 T296 | D221-T223 VanDerWaalsContact OD1-CB 3.23Å; D221-T223 WeakPolarHBondContact OD1-CB 3.46Å; D221-T223 WeakPolarHBondContact OD1-CG2 3.34Å; D221-T223 PolarHBondContact OD1-N 3.48Å; D221-T223 PolarHBondContact OD1-OG1 3.41Å; D221-K229 IonicContact OD2-NZ 3.66Å; D221-K229 PolarHBondContact OD2-NZ 3.25Å; D221-N256 PolarHBondContact N-OD1 3.08Å; D221-T296 VanDerWaalsContact O-CB 3.31Å; D221-T296 WeakPolarHBondContact O-CB 3.19Å; D221-T296 WeakPolarHBondContact O-CG2 3.37Å | ||
| 222 | F | 85.3 | Confident | 85.6 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 23% | 0.228 | C | C | . | . | trans | -113.3 | 21.8 | 179.5 | -65.9 | -94.9 | 0 | 0 | 0 | 111.5 | N219 E220 G224 S225 Y227 R230 S286 H287 I294 G295 | N219-F222 HydrophobicContact CB-CE1 4.24Å; N219-F222 HydrophobicContact CB-CE2 4.04Å; N219-F222 HydrophobicContact CB-CZ 3.49Å; N219-F222 VanDerWaalsContact CB-CZ 3.49Å; N219-F222 VanDerWaalsContact O-CE2 3.29Å; N219-F222 WeakPolarHBondContact O-CE2 3.38Å; E220-F222 WeakPolarHBondContact O-CD2 3.45Å; F222-G224 PolarHBondContact O-N 3.41Å; F222-S225 WeakPolarHBondContact CB-OG 3.16Å; F222-S225 WeakPolarHBondContact O-CB 3.13Å; F222-S225 PolarHBondContact O-N 3.21Å; F222-S225 PolarHBondContact O-OG 3.07Å; F222-Y227 WeakPolarHBondContact CB-O 3.43Å; F222-R230 HydrophobicContact CD2-CG 4.48Å; F222-R230 HydrophobicContact CE2-CG 3.93Å; F222-S286 WeakPolarHBondContact CZ-OG 3.33Å; F222-H287 AromaticContact CD2-CD2 3.71Å; F222-H287 AromaticContact CE2-CD2 3.49Å; F222-H287 VanDerWaalsContact CE2-CD2 3.49Å; F222-H287 WeakPolarHBondContact CE2-CD2 2.95Å; F222-H287 HydrophobicContact CZ-CB 4.47Å; F222-H287 AromaticContact CZ-CD2 3.63Å; F222-I294 HydrophobicContact CD1-CG2 4.44Å; F222-I294 HydrophobicContact CE1-CG2 4.1Å; F222-G295 WeakPolarHBondContact CD1-O 3.27Å; F222-G295 WeakPolarHBondContact CE1-O 3.35Å | ||
| 223 | T | 78.2 | Confident | 84.9 | Confident | 117 Ų | 117 | 42.1 Ų | 42.1 | 72% | 0.718 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 127 | 177.4 | 42.9 | 0 | 0 | 0 | 0 | 110.7 | D221 | D221-T223 VanDerWaalsContact OD1-CB 3.23Å; D221-T223 WeakPolarHBondContact OD1-CB 3.46Å; D221-T223 WeakPolarHBondContact OD1-CG2 3.34Å; D221-T223 PolarHBondContact OD1-N 3.48Å; D221-T223 PolarHBondContact OD1-OG1 3.41Å |
| 224 | G | 72.1 | Confident | 84.5 | Confident | 91 Ų | 91 | 48.4 Ų | 48.4 | 94% | 0.938 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95 | -1.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | F222 | F222-G224 PolarHBondContact O-N 3.41Š|
| 225 | S | 77.1 | Confident | 84.1 | Confident | 32 Ų | 32 | 52 Ų | 52 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -114 | 178.1 | 171.5 | 82.5 | 0 | 0 | 0 | 0 | 112.4 | F222 Y227 | F222-S225 WeakPolarHBondContact CB-OG 3.16Å; F222-S225 WeakPolarHBondContact O-CB 3.13Å; F222-S225 PolarHBondContact O-N 3.21Å; F222-S225 PolarHBondContact O-OG 3.07Å; S225-Y227 PolarHBondContact O-N 3.34Å; S225-Y227 PolarHBondContact OG-N 2.76Å; S225-Y227 VanDerWaalsContact OG-N 3.13Å |
| 226 | K | 74.7 | Confident | 83.7 | Confident | 156 Ų | 156 | 52 Ų | 52 | 68% | 0.678 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -72.7 | -11.1 | 173.1 | 68.2 | 179.9 | -177.6 | 178.4 | 0 | 113.8 | E289 | K226-E289 IonicContact NZ-OE1 2.87Š|
| 227 | Y | 74.1 | Confident | 83.5 | Confident | 38 Ų | 38 | 52.6 Ų | 52.6 | 15% | 0.149 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -93.8 | 146.4 | -173.9 | -61.2 | -89 | 0 | 0 | 0 | 111.9 | F222 S225 H287 E289 I294 | F222-Y227 WeakPolarHBondContact CB-O 3.43Å; S225-Y227 PolarHBondContact O-N 3.34Å; S225-Y227 PolarHBondContact OG-N 2.76Å; S225-Y227 VanDerWaalsContact OG-N 3.13Å; Y227-H287 HydrophobicContact CD1-CB 3.91Å; Y227-H287 AromaticContact CD1-CG 3.92Å; Y227-H287 HydrophobicContact CE1-CB 4.34Å; Y227-H287 HydrophobicContact CG-CB 4.5Å; Y227-E289 PolarHBondContact OH-OE1 2.99Å; Y227-I294 HydrophobicContact CD2-CG2 3.68Å; Y227-I294 HydrophobicContact CE1-CG1 4.06Å; Y227-I294 HydrophobicContact CE1-CG2 4.46Å; Y227-I294 HydrophobicContact CE2-CB 4.46Å; Y227-I294 HydrophobicContact CE2-CD1 4.3Å; Y227-I294 HydrophobicContact CE2-CG1 4.21Å; Y227-I294 HydrophobicContact CE2-CG2 3.49Å; Y227-I294 VanDerWaalsContact CE2-CG2 3.49Å; Y227-I294 HydrophobicContact CG-CG2 4.26Å; Y227-I294 WeakPolarHBondContact OH-CD1 3.5Å |
| 228 | R | 75.7 | Confident | 83.4 | Confident | 159 Ų | 159 | 56.8 Ų | 56.8 | 60% | 0.6 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -79.5 | 159.4 | 179.5 | -62.3 | -171.2 | -171.8 | 168.4 | 4.4 | 112.2 | E83 H287 | E83-R228 WeakPolarHBondContact OE2-CD 3.46Å; E83-R228 IonicContact OE2-CZ 3.75Å; E83-R228 IonicContact OE2-NE 2.81Å; E83-R228 IonicContact OE2-NH1 3.07Å; E83-R228 PolarHBondContact OE2-NH1 2.73Å; R228-H287 PolarHBondContact O-NE2 3.34Å |
| 229 | K | 80.9 | Confident | 83.3 | Confident | 97 Ų | 97 | 59.1 Ų | 59.1 | 42% | 0.422 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 136.3 | 173.5 | -171.4 | 165 | -174.4 | 148.8 | 0 | 111.6 | E220 D221 L231 | E220-K229 HydrophobicContact CG-CG 4.08Å; E220-K229 CarbonylContact O-C 3.57Å; E220-K229 WeakPolarHBondContact O-CA 3.43Å; E220-K229 WeakPolarHBondContact O-CG 3.33Å; E220-K229 WeakPolarHBondContact OE1-CE 3.25Å; D221-K229 IonicContact OD2-NZ 3.66Å; D221-K229 PolarHBondContact OD2-NZ 3.25Å; K229-L231 HydrophobicContact CD-CD2 4.06Å; K229-L231 HydrophobicContact CG-CD2 4.13Å; K229-L231 PolarHBondContact O-N 3.12Å |
| 230 | R | 81.8 | Confident | 83.5 | Confident | 9 Ų | 9 | 59.1 Ų | 59.1 | 3% | 0.034 | 31% | 0.308 | C | S | . | . | trans | -95.8 | 75.7 | 179.2 | -60.5 | 175.9 | 62.4 | -113.8 | 5.4 | 111.3 | N219 E220 F222 S233 L285 S286 H287 R381 | N219-R230 WeakPolarHBondContact O-CD 3.34Å; N219-R230 PolarHBondContact O-NH1 3.31Å; E220-R230 VanDerWaalsContact CG-O 3.22Å; E220-R230 WeakPolarHBondContact CG-O 3.42Å; E220-R230 PolarHBondContact O-N 2.96Å; F222-R230 HydrophobicContact CD2-CG 4.48Å; F222-R230 HydrophobicContact CE2-CG 3.93Å; R230-S233 PolarHBondContact O-OG 3.45Å; R230-L285 PolarHBondContact NH1-O 3.48Å; R230-S286 PolarHBondContact NE-O 3.18Å; R230-H287 WeakPolarHBondContact CG-NE2 3.27Å; R230-R381 VanDerWaalsContact C-CZ 3.44Å; R230-R381 VanDerWaalsContact C-NH2 3.26Å; R230-R381 VanDerWaalsContact CA-NH2 3.34Å; R230-R381 PolarHBondContact O-NH1 2.8Å | ||
| 231 | L | 74.7 | Confident | 83.8 | Confident | 82 Ų | 82 | 58.2 Ų | 58.2 | 43% | 0.429 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 129 | 177.8 | -61.8 | 177.2 | 0 | 0 | 0 | 113.2 | K229 R381 T383 | K229-L231 HydrophobicContact CD-CD2 4.06Å; K229-L231 HydrophobicContact CG-CD2 4.13Å; K229-L231 PolarHBondContact O-N 3.12Å; L231-R381 VanDerWaalsContact N-NH2 3.17Å; L231-R381 PolarHBondContact O-NH1 2.71Å; L231-R381 PolarHBondContact O-NH2 2.74Å; L231-T383 CarbonylContact C-O 3.59Å; L231-T383 CarbonylContact O-C 3.59Å; L231-T383 VanDerWaalsContact O-CA 3.26Å; L231-T383 WeakPolarHBondContact O-CA 3.38Å |
| 232 | G | 72 | Confident | 84.2 | Confident | 14 Ų | 14 | 61 Ų | 61 | 14% | 0.144 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 102.7 | 1.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | K234 M235 T383 G386 | G232-K234 PolarHBondContact O-N 3.48Å; G232-M235 PolarHBondContact O-N 3.26Å; G232-T383 WeakPolarHBondContact CA-O 3.27Å; G232-T383 PolarHBondContact N-O 3.39Å; G232-T383 VanDerWaalsContact N-O 3.13Å; G232-G386 WeakPolarHBondContact O-CA 3.49Å |
| 233 | S | 79.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.8 | -28.5 | 176 | -53.9 | 0 | 0 | 0 | 0 | 111.8 | R230 M235 D236 D237 R381 | R230-S233 PolarHBondContact O-OG 3.45Å; S233-M235 VanDerWaalsContact C-N 3.27Å; S233-M235 PolarHBondContact O-N 3.01Å; S233-D236 WeakPolarHBondContact O-CB 3.39Å; S233-D236 PolarHBondContact O-N 3.03Å; S233-D236 VanDerWaalsContact O-N 3.1Å; S233-D237 VanDerWaalsContact O-CG 3.23Å; S233-D237 PolarHBondContact O-N 2.85Å; S233-R381 PolarHBondContact OG-NH1 3.23Å |
| 234 | K | 87.3 | Confident | 85.7 | Confident | 135 Ų | 135 | 55.7 Ų | 55.7 | 59% | 0.587 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -55.5 | -38.5 | 173.6 | -170.1 | -179.7 | 179.1 | -166.4 | 0 | 113.7 | G232 D237 E238 | G232-K234 PolarHBondContact O-N 3.48Å; K234-D237 PolarHBondContact O-N 3.35Å; K234-E238 WeakPolarHBondContact CE-OE1 3.36Å; K234-E238 IonicContact NZ-OE1 3.2Å; K234-E238 WeakPolarHBondContact O-CG 3.26Å; K234-E238 PolarHBondContact O-N 3.21Å |
| 235 | M | 88.1 | Confident | 86.9 | Confident | 76 Ų | 76 | 58.1 Ų | 58.1 | 37% | 0.374 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.4 | -38 | 178.8 | -172.3 | 60.9 | 161.2 | 0 | 0 | 111.3 | G232 S233 N239 K385 | G232-M235 PolarHBondContact O-N 3.26Å; S233-M235 VanDerWaalsContact C-N 3.27Å; S233-M235 PolarHBondContact O-N 3.01Å; M235-N239 WeakPolarHBondContact O-CB 3.27Å; M235-N239 PolarHBondContact O-N 3.39Å; M235-N239 PolarHBondContact O-ND2 2.81Å; M235-N239 VanDerWaalsContact O-ND2 3.13Å; M235-K385 VanDerWaalsContact CG-O 3.27Å; M235-K385 WeakPolarHBondContact CG-O 3.48Å |
| 236 | D | 91.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 173.8 | -69.2 | -31.4 | 0 | 0 | 0 | 111.2 | S233 E238 N239 L240 L285 G386 S387 I390 | S233-D236 WeakPolarHBondContact O-CB 3.39Å; S233-D236 PolarHBondContact O-N 3.03Å; S233-D236 VanDerWaalsContact O-N 3.1Å; D236-E238 PolarHBondContact O-N 3.42Å; D236-N239 PolarHBondContact O-N 3.02Å; D236-L240 WeakPolarHBondContact O-CB 3.1Å; D236-L240 VanDerWaalsContact O-CG 3.32Å; D236-L240 WeakPolarHBondContact O-CG 3.42Å; D236-L240 PolarHBondContact O-N 3.22Å; D236-L285 HydrophobicContact CB-CD2 3.41Å; D236-L285 VanDerWaalsContact CB-CD2 3.41Å; D236-G386 VanDerWaalsContact OD1-CA 3.28Å; D236-G386 WeakPolarHBondContact OD1-CA 3.22Å; D236-S387 PolarHBondContact OD1-N 3.19Å; D236-S387 VanDerWaalsContact OD2-CB 3.23Å; D236-S387 WeakPolarHBondContact OD2-CB 3.17Å; D236-S387 PolarHBondContact OD2-N 3.45Å; D236-S387 PolarHBondContact OD2-OG 3.43Å; D236-I390 HydrophobicContact CB-CG2 3.97Å |
| 237 | D | 93.6 | Very high | 88.8 | Confident | 14 Ų | 14 | 54.2 Ų | 54.2 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.7 | -46.9 | 178.8 | -61.4 | -15.2 | 0 | 0 | 0 | 111.4 | S218 S233 K234 S241 I253 | S218-D237 WeakPolarHBondContact CB-OD1 3.38Å; S218-D237 WeakPolarHBondContact CB-OD2 3.28Å; S218-D237 VanDerWaalsContact OG-CG 3.28Å; S218-D237 PolarHBondContact OG-OD1 2.94Å; S218-D237 PolarHBondContact OG-OD2 3.07Å; S218-D237 VanDerWaalsContact OG-OD2 3.14Å; S233-D237 VanDerWaalsContact O-CG 3.23Å; S233-D237 PolarHBondContact O-N 2.85Å; K234-D237 PolarHBondContact O-N 3.35Å; D237-S241 WeakPolarHBondContact O-CB 3.49Å; D237-S241 PolarHBondContact O-N 2.62Å; D237-I253 HydrophobicContact CB-CD1 4.35Å |
| 238 | E | 94.6 | Very high | 89.8 | Confident | 89 Ų | 89 | 52.9 Ų | 52.9 | 42% | 0.416 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.9 | -45.6 | 177.9 | -73.8 | 177.4 | -172.1 | 0 | 0 | 111.5 | K234 D236 S241 N242 | K234-E238 WeakPolarHBondContact CE-OE1 3.36Å; K234-E238 IonicContact NZ-OE1 3.2Å; K234-E238 WeakPolarHBondContact O-CG 3.26Å; K234-E238 PolarHBondContact O-N 3.21Å; D236-E238 PolarHBondContact O-N 3.42Å; E238-S241 PolarHBondContact O-N 3.48Å; E238-N242 VanDerWaalsContact O-CB 3.25Å; E238-N242 WeakPolarHBondContact O-CB 3.36Å; E238-N242 PolarHBondContact O-N 3.42Å; E238-N242 PolarHBondContact O-ND2 3.03Å; E238-N242 VanDerWaalsContact O-ND2 3.09Å |
| 239 | N | 95.1 | Very high | 90.9 | Very high | 50 Ų | 50 | 45.7 Ų | 45.7 | 27% | 0.267 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.1 | -49.2 | 179.5 | -74.6 | -27.2 | 0 | 0 | 0 | 112 | M235 D236 L243 | M235-N239 WeakPolarHBondContact O-CB 3.27Å; M235-N239 PolarHBondContact O-N 3.39Å; M235-N239 PolarHBondContact O-ND2 2.81Å; M235-N239 VanDerWaalsContact O-ND2 3.13Å; D236-N239 PolarHBondContact O-N 3.02Å; N239-L243 WeakPolarHBondContact O-CB 3.27Å; N239-L243 PolarHBondContact O-N 3.31Å |
| 240 | L | 97.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.4 | -47.4 | 178.1 | -73.2 | 168 | 0 | 0 | 0 | 111 | I216 D236 L243 F244 C283 L285 I390 | I216-L240 HydrophobicContact CD1-CB 3.68Å; I216-L240 HydrophobicContact CG1-CB 4.36Å; I216-L240 HydrophobicContact CG2-CD1 4.37Å; D236-L240 WeakPolarHBondContact O-CB 3.1Å; D236-L240 VanDerWaalsContact O-CG 3.32Å; D236-L240 WeakPolarHBondContact O-CG 3.42Å; D236-L240 PolarHBondContact O-N 3.22Å; L240-L243 PolarHBondContact O-N 3.08Å; L240-F244 HydrophobicContact CD2-CD2 4.36Å; L240-F244 HydrophobicContact CD2-CE2 3.91Å; L240-F244 WeakPolarHBondContact O-CB 3.33Å; L240-F244 VanDerWaalsContact O-CD2 3.29Å; L240-F244 WeakPolarHBondContact O-CD2 2.84Å; L240-F244 PolarHBondContact O-N 3.31Å; L240-C283 HydrophobicContact CD1-CB 3.99Å; L240-L285 HydrophobicContact CD1-CD1 3.95Å; L240-L285 HydrophobicContact CD1-CD2 4.24Å; L240-I390 HydrophobicContact CD1-CD1 4.35Å; L240-I390 HydrophobicContact CD1-CG2 3.88Å; L240-I390 HydrophobicContact CD2-CG2 4Å; L240-I390 HydrophobicContact CG-CG2 3.73Å |
| 241 | S | 97.3 | Very high | 92.4 | Very high | 25 Ų | 25 | 45.6 Ų | 45.6 | 18% | 0.175 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.2 | -50.5 | -179.7 | -177.9 | 0 | 0 | 0 | 0 | 111.7 | D237 E238 L243 K245 P251 | D237-S241 WeakPolarHBondContact O-CB 3.49Å; D237-S241 PolarHBondContact O-N 2.62Å; E238-S241 PolarHBondContact O-N 3.48Å; S241-L243 PolarHBondContact O-N 2.87Å; S241-K245 WeakPolarHBondContact O-CB 3.41Å; S241-K245 PolarHBondContact O-N 3.5Å; S241-P251 VanDerWaalsContact O-CG 3.28Å; S241-P251 WeakPolarHBondContact O-CG 3.38Å; S241-P251 WeakPolarHBondContact OG-CB 3.28Å |
| 242 | N | 96.8 | Very high | 93.5 | Very high | 95 Ų | 95 | 44.9 Ų | 44.9 | 51% | 0.508 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.9 | -42 | -179.8 | -72.7 | -30.5 | 0 | 0 | 0 | 112.1 | E238 R246 | E238-N242 VanDerWaalsContact O-CB 3.25Å; E238-N242 WeakPolarHBondContact O-CB 3.36Å; E238-N242 PolarHBondContact O-N 3.42Å; E238-N242 PolarHBondContact O-ND2 3.03Å; E238-N242 VanDerWaalsContact O-ND2 3.09Å; N242-R246 WeakPolarHBondContact O-CG 3.26Å; N242-R246 PolarHBondContact O-N 3.34Å; N242-R246 VanDerWaalsContact O-N 3.12Å |
| 243 | L | 97.3 | Very high | 94.7 | Very high | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.4 | -52.4 | -179.6 | 179.8 | 66.1 | 0 | 0 | 0 | 112 | N239 L240 S241 K245 R246 F247 C394 L397 E398 F446 | N239-L243 WeakPolarHBondContact O-CB 3.27Å; N239-L243 PolarHBondContact O-N 3.31Å; L240-L243 PolarHBondContact O-N 3.08Å; S241-L243 PolarHBondContact O-N 2.87Å; L243-K245 VanDerWaalsContact C-N 3.27Å; L243-K245 PolarHBondContact O-N 2.94Å; L243-R246 WeakPolarHBondContact O-CB 3.44Å; L243-R246 PolarHBondContact O-N 3.13Å; L243-R246 VanDerWaalsContact O-N 3.08Å; L243-F247 HydrophobicContact CD1-CD2 4.18Å; L243-F247 HydrophobicContact CD1-CE2 3.55Å; L243-F247 HydrophobicContact CD1-CZ 3.99Å; L243-F247 HydrophobicContact CD2-CE2 4.03Å; L243-F247 HydrophobicContact CG-CD2 3.92Å; L243-F247 HydrophobicContact CG-CE2 3.54Å; L243-F247 HydrophobicContact CG-CZ 4.45Å; L243-F247 WeakPolarHBondContact O-CD2 3.44Å; L243-F247 PolarHBondContact O-N 2.89Å; L243-C394 VanDerWaalsContact CD2-CA 3.5Å; L243-C394 HydrophobicContact CD2-CB 3.8Å; L243-L397 HydrophobicContact CD2-CB 3.93Å; L243-L397 HydrophobicContact CD2-CD1 3.96Å; L243-E398 HydrophobicContact CD1-CB 4.08Å; L243-F446 HydrophobicContact CD1-CE1 3.95Å; L243-F446 HydrophobicContact CD1-CZ 4.22Å |
| 244 | F | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.2 | -30.7 | -178.7 | -80.1 | -71.6 | 0 | 0 | 0 | 112.1 | C214 L240 F247 G248 F249 V281 F324 L397 | C214-F244 HydrophobicContact CB-CB 3.99Å; C214-F244 HydrophobicContact CB-CG 4.25Å; L240-F244 HydrophobicContact CD2-CD2 4.36Å; L240-F244 HydrophobicContact CD2-CE2 3.91Å; L240-F244 WeakPolarHBondContact O-CB 3.33Å; L240-F244 VanDerWaalsContact O-CD2 3.29Å; L240-F244 WeakPolarHBondContact O-CD2 2.84Å; L240-F244 PolarHBondContact O-N 3.31Å; F244-F247 HydrophobicContact CD1-CD2 4.18Å; F244-F247 HydrophobicContact CE1-CD2 4.45Å; F244-F247 CarbonylContact O-C 3.5Å; F244-F247 WeakPolarHBondContact O-CB 3.27Å; F244-F247 PolarHBondContact O-N 2.92Å; F244-G248 PolarHBondContact O-N 3.27Å; F244-F249 HydrophobicContact CB-CB 4.18Å; F244-F249 AromaticContact CD1-CD2 3.99Å; F244-F249 HydrophobicContact CD1-CD2 3.99Å; F244-F249 HydrophobicContact CD1-CE2 4.37Å; F244-F249 HydrophobicContact CD1-CG 4.35Å; F244-F249 WeakPolarHBondContact O-CB 3.38Å; F244-F249 PolarHBondContact O-N 3.08Å; F244-V281 HydrophobicContact CD1-CG1 4.31Å; F244-V281 HydrophobicContact CD1-CG2 4.15Å; F244-V281 HydrophobicContact CE1-CB 4.35Å; F244-V281 HydrophobicContact CE1-CG1 3.82Å; F244-V281 HydrophobicContact CE1-CG2 3.85Å; F244-V281 HydrophobicContact CE2-CG1 4.13Å; F244-V281 HydrophobicContact CZ-CG1 3.73Å; F244-F324 HydrophobicContact CZ-CD2 4.26Å; F244-F324 AromaticContact CZ-CE2 3.83Å; F244-F324 HydrophobicContact CZ-CE2 3.83Å; F244-L397 HydrophobicContact CZ-CD1 4.38Å |
| 245 | K | 97 | Very high | 95.9 | Very high | 143 Ų | 143 | 47.9 Ų | 47.9 | 62% | 0.622 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -60.7 | -43.8 | 169.1 | -172 | 176.5 | -178.9 | 180 | 0 | 112.3 | S241 L243 F247 G248 P251 | S241-K245 WeakPolarHBondContact O-CB 3.41Å; S241-K245 PolarHBondContact O-N 3.5Å; L243-K245 VanDerWaalsContact C-N 3.27Å; L243-K245 PolarHBondContact O-N 2.94Å; K245-F247 VanDerWaalsContact C-N 3.26Å; K245-F247 PolarHBondContact O-N 2.96Å; K245-G248 PolarHBondContact O-N 3.47Å; K245-P251 HydrophobicContact CB-CG 4.05Å |
| 246 | R | 96.2 | Very high | 96.3 | Very high | 106 Ų | 106 | 47.4 Ų | 47.4 | 40% | 0.4 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.9 | -29.2 | 174.9 | -71.5 | 170.7 | 64.1 | -171.4 | 1.2 | 112.7 | N242 L243 G248 E398 F446 V447 | N242-R246 WeakPolarHBondContact O-CG 3.26Å; N242-R246 PolarHBondContact O-N 3.34Å; N242-R246 VanDerWaalsContact O-N 3.12Å; L243-R246 WeakPolarHBondContact O-CB 3.44Å; L243-R246 PolarHBondContact O-N 3.13Å; L243-R246 VanDerWaalsContact O-N 3.08Å; R246-G248 PolarHBondContact O-N 3.48Å; R246-E398 IonicContact CZ-OE1 3.79Å; R246-E398 IonicContact NH1-OE1 3.77Å; R246-E398 PolarHBondContact NH1-OE1 3.4Å; R246-E398 IonicContact NH1-OE2 3.75Å; R246-E398 IonicContact NH2-OE1 3.62Å; R246-E398 PolarHBondContact NH2-OE1 3.15Å; R246-F446 HydrophobicContact CB-CD1 3.56Å; R246-F446 HydrophobicContact CB-CE1 3.78Å; R246-F446 HydrophobicContact CB-CG 4.42Å; R246-F446 VanDerWaalsContact NH2-CZ 3.3Å; R246-F446 WeakPolarHBondContact O-CA 3.18Å; R246-V447 PolarHBondContact O-N 3.31Å |
| 247 | F | 96.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -1.3 | 169.7 | -71 | -48.7 | 0 | 0 | 0 | 113.9 | R211 L243 F244 K245 F249 L397 A401 L444 R445 F446 | R211-F247 WeakPolarHBondContact CD-O 3.25Å; R211-F247 PolarHBondContact NH1-O 2.88Å; L243-F247 HydrophobicContact CD1-CD2 4.18Å; L243-F247 HydrophobicContact CD1-CE2 3.55Å; L243-F247 HydrophobicContact CD1-CZ 3.99Å; L243-F247 HydrophobicContact CD2-CE2 4.03Å; L243-F247 HydrophobicContact CG-CD2 3.92Å; L243-F247 HydrophobicContact CG-CE2 3.54Å; L243-F247 HydrophobicContact CG-CZ 4.45Å; L243-F247 WeakPolarHBondContact O-CD2 3.44Å; L243-F247 PolarHBondContact O-N 2.89Å; F244-F247 HydrophobicContact CD1-CD2 4.18Å; F244-F247 HydrophobicContact CE1-CD2 4.45Å; F244-F247 CarbonylContact O-C 3.5Å; F244-F247 WeakPolarHBondContact O-CB 3.27Å; F244-F247 PolarHBondContact O-N 2.92Å; K245-F247 VanDerWaalsContact C-N 3.26Å; K245-F247 PolarHBondContact O-N 2.96Å; F247-F249 HydrophobicContact CB-CD2 3.76Å; F247-F249 HydrophobicContact CB-CE2 4.01Å; F247-L397 HydrophobicContact CE2-CB 4.02Å; F247-L397 HydrophobicContact CZ-CB 4.08Å; F247-A401 HydrophobicContact CE1-CB 3.56Å; F247-A401 HydrophobicContact CZ-CB 3.94Å; F247-L444 HydrophobicContact CD1-CB 3.96Å; F247-L444 HydrophobicContact CE1-CB 3.74Å; F247-L444 HydrophobicContact CE2-CB 4.42Å; F247-L444 HydrophobicContact CG-CB 4.42Å; F247-L444 HydrophobicContact CZ-CB 4Å; F247-R445 WeakPolarHBondContact CD1-O 3.49Å; F247-F446 AromaticContact CD1-CD1 3.71Å; F247-F446 HydrophobicContact CD1-CD1 3.71Å; F247-F446 AromaticContact CD1-CE1 3.94Å; F247-F446 HydrophobicContact CD1-CE1 3.94Å; F247-F446 AromaticContact CE1-CD1 3.71Å; F247-F446 HydrophobicContact CE1-CD1 3.71Å; F247-F446 AromaticContact CE1-CE1 3.6Å; F247-F446 HydrophobicContact CE1-CE1 3.6Å; F247-F446 HydrophobicContact CE1-CZ 4.46Å; F247-F446 HydrophobicContact CE2-CE1 4.45Å; F247-F446 HydrophobicContact CG-CD1 4.43Å; F247-F446 HydrophobicContact CG-CE1 4.49Å; F247-F446 HydrophobicContact CZ-CD1 4.43Å; F247-F446 AromaticContact CZ-CE1 3.87Å; F247-F446 HydrophobicContact CZ-CE1 3.87Å |
| 248 | G | 95.9 | Very high | 96.7 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | 11.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | P210 R211 F244 K245 R246 | P210-G248 WeakPolarHBondContact CA-O 3.34Å; R211-G248 PolarHBondContact N-O 2.82Å; F244-G248 PolarHBondContact O-N 3.27Å; K245-G248 PolarHBondContact O-N 3.47Å; R246-G248 PolarHBondContact O-N 3.48Å |
| 249 | F | 97.6 | Very high | 96.7 | Very high | 7 Ų | 7 | 45.5 Ų | 45.5 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 164.2 | 171.8 | -66.7 | -98.8 | 0 | 0 | 0 | 111 | R211 G212 C214 F244 F247 P251 A279 V281 L444 | R211-F249 HydrophobicContact CB-CE2 4.33Å; R211-F249 HydrophobicContact CB-CZ 4.34Å; G212-F249 CarbonylContact O-C 3.47Å; G212-F249 WeakPolarHBondContact O-CA 3.42Å; G212-F249 WeakPolarHBondContact O-CB 3.31Å; G212-F249 WeakPolarHBondContact O-CD1 3.37Å; C214-F249 HydrophobicContact CB-CB 4.03Å; F244-F249 HydrophobicContact CB-CB 4.18Å; F244-F249 AromaticContact CD1-CD2 3.99Å; F244-F249 HydrophobicContact CD1-CD2 3.99Å; F244-F249 HydrophobicContact CD1-CE2 4.37Å; F244-F249 HydrophobicContact CD1-CG 4.35Å; F244-F249 WeakPolarHBondContact O-CB 3.38Å; F244-F249 PolarHBondContact O-N 3.08Å; F247-F249 HydrophobicContact CB-CD2 3.76Å; F247-F249 HydrophobicContact CB-CE2 4.01Å; F249-P251 WeakPolarHBondContact O-CD 3.43Å; F249-A279 HydrophobicContact CE1-CB 3.77Å; F249-A279 HydrophobicContact CZ-CB 3.89Å; F249-V281 HydrophobicContact CD1-CG2 4.01Å; F249-V281 HydrophobicContact CE1-CG2 3.65Å; F249-V281 HydrophobicContact CZ-CG2 4Å; F249-L444 HydrophobicContact CE2-CD2 4.18Å; F249-L444 HydrophobicContact CZ-CD2 4.47Å |
| 250 | V | 97.5 | Very high | 96.7 | Very high | 74 Ų | 74 | 48 Ų | 48 | 45% | 0.448 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 103.3 | 172.3 | -177.3 | 0 | 0 | 0 | 0 | 109 | P210 G212 C214 | P210-V250 HydrophobicContact CB-CG2 3.61Å; P210-V250 HydrophobicContact CG-CG2 4.01Å; G212-V250 PolarHBondContact O-N 2.65Å; C214-V250 PolarHBondContact N-O 3.37Å |
| 251 | P | 97.1 | Very high | 96.7 | Very high | 31 Ų | 31 | 53.6 Ų | 53.6 | 20% | 0.201 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 134.5 | 177.6 | -16.5 | 30.8 | 0 | 0 | 0 | 112.3 | C214 S241 K245 F249 | C214-P251 CarbonylContact O-C 3.52Å; C214-P251 WeakPolarHBondContact O-CA 3.39Å; S241-P251 VanDerWaalsContact O-CG 3.28Å; S241-P251 WeakPolarHBondContact O-CG 3.38Å; S241-P251 WeakPolarHBondContact OG-CB 3.28Å; K245-P251 HydrophobicContact CB-CG 4.05Å; F249-P251 WeakPolarHBondContact O-CD 3.43Å |
| 252 | I | 97.6 | Very high | 96.7 | Very high | 66 Ų | 66 | 52.4 Ų | 52.4 | 34% | 0.338 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 114.4 | 172.8 | -53.1 | -178.9 | 0 | 0 | 0 | 107.7 | C213 C214 V215 I216 H254 | C213-I252 WeakPolarHBondContact SG-CD1 3.18Å; C214-I252 PolarHBondContact O-N 2.95Å; V215-I252 WeakPolarHBondContact CA-O 3.16Å; I216-I252 PolarHBondContact N-O 3.14Å; I252-H254 WeakPolarHBondContact CG2-NE2 2.87Å |
| 253 | I | 97.5 | Very high | 96.6 | Very high | 74 Ų | 74 | 50 Ų | 50 | 38% | 0.379 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 126.8 | -176.6 | -55.9 | 166.3 | 0 | 0 | 0 | 109.4 | I216 D237 T255 | I216-I253 HydrophobicContact CB-CG1 4.25Å; I216-I253 HydrophobicContact CD1-CG1 4.1Å; I216-I253 CarbonylContact O-C 3.53Å; I216-I253 WeakPolarHBondContact O-CA 3.24Å; D237-I253 HydrophobicContact CB-CD1 4.35Å; I253-T255 HydrophobicContact CG2-CG2 4.01Å |
| 254 | H | 97.3 | Very high | 96.5 | Very high | 56 Ų | 56 | 55.6 Ų | 55.6 | 26% | 0.259 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121.3 | 170.9 | -63 | -82.1 | 0 | 0 | 0 | 109.6 | I216 S218 I252 L257 | I216-H254 PolarHBondContact O-N 2.62Å; S218-H254 PolarHBondContact N-O 3.36Å; I252-H254 WeakPolarHBondContact CG2-NE2 2.87Å; H254-L257 HydrophobicContact CB-CD1 3.73Å; H254-L257 HydrophobicContact CB-CD2 4.39Å; H254-L257 HydrophobicContact CB-CG 4.06Å |
| 255 | T | 95.6 | Very high | 96.4 | Very high | 82 Ų | 82 | 57 Ų | 57 | 50% | 0.503 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 140.2 | -178.2 | 54.9 | 0 | 0 | 0 | 0 | 112 | S218 I253 L257 | S218-T255 CarbonylContact O-C 3.58Å; S218-T255 VanDerWaalsContact O-CA 3.26Å; S218-T255 WeakPolarHBondContact O-CA 3.39Å; I253-T255 HydrophobicContact CG2-CG2 4.01Å; T255-L257 PolarHBondContact O-N 3.01Å |
| 256 | N | 95.4 | Very high | 96.3 | Very high | 67 Ų | 67 | 50.3 Ų | 50.3 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 55.2 | 47.8 | 168.5 | -59 | -35.6 | 0 | 0 | 0 | 115.1 | S218 N219 E220 D221 T296 | S218-N256 PolarHBondContact O-N 3.12Å; N219-N256 WeakPolarHBondContact OD1-CA 2.99Å; N219-N256 PolarHBondContact OD1-N 3.28Å; E220-N256 WeakPolarHBondContact CA-OD1 2.97Å; E220-N256 PolarHBondContact N-OD1 3.18Å; D221-N256 PolarHBondContact N-OD1 3.08Å; N256-T296 VanDerWaalsContact C-CG2 3.41Å; N256-T296 VanDerWaalsContact CA-CG2 3.45Å; N256-T296 HydrophobicContact CB-CG2 3.87Å; N256-T296 PolarHBondContact O-OG1 3.34Å |
| 257 | L | 96.4 | Very high | 96.2 | Very high | 23 Ų | 23 | 50.2 Ų | 50.2 | 12% | 0.12 | 26% | 0.263 | C | S | . | . | trans | -80.3 | 138.7 | 177.6 | -60.3 | -171.3 | 0 | 0 | 0 | 112.3 | I217 N219 H254 T255 K261 I262 T296 | I217-L257 HydrophobicContact CG2-CD1 4.27Å; N219-L257 PolarHBondContact ND2-O 2.99Å; N219-L257 PolarHBondContact OD1-N 2.71Å; N219-L257 PolarHBondContact OD1-O 3.13Å; H254-L257 HydrophobicContact CB-CD1 3.73Å; H254-L257 HydrophobicContact CB-CD2 4.39Å; H254-L257 HydrophobicContact CB-CG 4.06Å; T255-L257 PolarHBondContact O-N 3.01Å; L257-K261 HydrophobicContact CB-CB 4.17Å; L257-K261 HydrophobicContact CD2-CB 4.25Å; L257-K261 HydrophobicContact CD2-CD 4.45Å; L257-I262 HydrophobicContact CB-CD1 4.38Å; L257-I262 HydrophobicContact CB-CG1 3.57Å; L257-I262 HydrophobicContact CD1-CG1 4.16Å; L257-T296 VanDerWaalsContact C-OG1 3.32Å; L257-T296 PolarHBondContact O-N 2.77Å; L257-T296 PolarHBondContact O-OG1 3.45Å | ||
| 258 | T | 96.3 | Very high | 96.1 | Very high | 36 Ų | 36 | 55.1 Ų | 55.1 | 22% | 0.221 | 29% | 0.286 | C | S | . | . | trans | -70.5 | 163.1 | 166.7 | 61.6 | 0 | 0 | 0 | 0 | 110.6 | D260 K261 I262 T296 D297 | T258-D260 VanDerWaalsContact C-N 3.27Å; T258-D260 PolarHBondContact O-N 3.28Å; T258-K261 PolarHBondContact O-N 3.24Å; T258-K261 VanDerWaalsContact O-N 3.11Å; T258-K261 WeakPolarHBondContact OG1-CG 3.22Å; T258-K261 PolarHBondContact OG1-N 2.99Å; T258-I262 WeakPolarHBondContact O-CG1 3.45Å; T258-I262 PolarHBondContact O-N 3.41Å; T258-T296 PolarHBondContact N-OG1 2.9Å; T258-D297 HydrophobicContact CG2-CB 4.02Å | ||
| 259 | A | 95.3 | Very high | 96 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.033 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54.9 | -42.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I262 T263 D297 K299 V301 | A259-I262 PolarHBondContact O-N 2.99Å; A259-T263 PolarHBondContact O-N 3.38Å; A259-T263 VanDerWaalsContact O-N 3.1Å; A259-T263 PolarHBondContact O-OG1 3Å; A259-D297 PolarHBondContact N-OD1 3.19Å; A259-K299 HydrophobicContact CB-CB 3.63Å; A259-V301 HydrophobicContact CB-CG2 3.52Å |
| 260 | D | 95.9 | Very high | 95.8 | Very high | 102 Ų | 102 | 56.4 Ų | 56.4 | 55% | 0.545 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 178.2 | -64.8 | -32.7 | 0 | 0 | 0 | 111.5 | T258 T263 E264 K299 | T258-D260 VanDerWaalsContact C-N 3.27Å; T258-D260 PolarHBondContact O-N 3.28Å; D260-T263 PolarHBondContact O-N 3.18Å; D260-E264 WeakPolarHBondContact O-CB 3.05Å; D260-E264 PolarHBondContact O-N 3.38Å; D260-K299 IonicContact OD2-NZ 3.85Å |
| 261 | K | 97.2 | Very high | 95.6 | Very high | 117 Ų | 117 | 59.7 Ų | 59.7 | 51% | 0.509 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.6 | -36.2 | 178.5 | -73.7 | -179.9 | 178.3 | -178.8 | 0 | 112.9 | L257 T258 T263 M265 | L257-K261 HydrophobicContact CB-CB 4.17Å; L257-K261 HydrophobicContact CD2-CB 4.25Å; L257-K261 HydrophobicContact CD2-CD 4.45Å; T258-K261 PolarHBondContact O-N 3.24Å; T258-K261 VanDerWaalsContact O-N 3.11Å; T258-K261 WeakPolarHBondContact OG1-CG 3.22Å; T258-K261 PolarHBondContact OG1-N 2.99Å; K261-T263 VanDerWaalsContact C-N 3.32Å; K261-M265 VanDerWaalsContact O-CB 3.23Å; K261-M265 WeakPolarHBondContact O-CB 3.35Å; K261-M265 PolarHBondContact O-N 3.31Å |
| 262 | I | 96.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.6 | -50.1 | 172 | -69 | 169.7 | 0 | 0 | 0 | 109 | I217 L257 T258 A259 M265 L266 I293 V301 | I217-I262 HydrophobicContact CD1-CG2 4.12Å; I217-I262 HydrophobicContact CG2-CD1 4.49Å; I217-I262 HydrophobicContact CG2-CG1 4.23Å; L257-I262 HydrophobicContact CB-CD1 4.38Å; L257-I262 HydrophobicContact CB-CG1 3.57Å; L257-I262 HydrophobicContact CD1-CG1 4.16Å; T258-I262 WeakPolarHBondContact O-CG1 3.45Å; T258-I262 PolarHBondContact O-N 3.41Å; A259-I262 PolarHBondContact O-N 2.99Å; I262-M265 PolarHBondContact O-N 2.88Å; I262-L266 HydrophobicContact CG2-CD1 3.78Å; I262-L266 WeakPolarHBondContact O-CD1 3.43Å; I262-L266 VanDerWaalsContact O-CG 3.29Å; I262-L266 WeakPolarHBondContact O-CG 2.98Å; I262-L266 PolarHBondContact O-N 3.45Å; I262-I293 HydrophobicContact CG2-CD1 4.16Å; I262-V301 HydrophobicContact CB-CG2 4.47Å; I262-V301 HydrophobicContact CG2-CG1 4.39Å; I262-V301 HydrophobicContact CG2-CG2 4.48Å |
| 263 | T | 94.7 | Very high | 95.2 | Very high | 44 Ų | 44 | 65.8 Ų | 65.8 | 27% | 0.27 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.6 | -44.6 | -178.2 | -57.5 | 0 | 0 | 0 | 0 | 111.9 | A259 D260 K261 K267 | A259-T263 PolarHBondContact O-N 3.38Å; A259-T263 VanDerWaalsContact O-N 3.1Å; A259-T263 PolarHBondContact O-OG1 3Å; D260-T263 PolarHBondContact O-N 3.18Å; K261-T263 VanDerWaalsContact C-N 3.32Å; T263-K267 HydrophobicContact CG2-CD 4.13Å; T263-K267 WeakPolarHBondContact O-CB 3.49Å; T263-K267 VanDerWaalsContact O-CG 3.26Å; T263-K267 WeakPolarHBondContact O-CG 3.34Å; T263-K267 PolarHBondContact O-N 3.36Å |
| 264 | E | 96 | Very high | 95 | Very high | 124 Ų | 124 | 62.3 Ų | 62.3 | 58% | 0.579 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -62.1 | -48.1 | 177.3 | -175.6 | 179.5 | -168.1 | 0 | 0 | 111.6 | D260 L266 K267 E268 | D260-E264 WeakPolarHBondContact O-CB 3.05Å; D260-E264 PolarHBondContact O-N 3.38Å; E264-L266 PolarHBondContact O-N 2.84Å; E264-K267 WeakPolarHBondContact O-CB 3.4Å; E264-K267 PolarHBondContact O-N 3.16Å; E264-E268 PolarHBondContact O-N 3.08Å |
| 265 | M | 96.1 | Very high | 94.7 | Very high | 30 Ų | 30 | 63 Ų | 63 | 15% | 0.148 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 179.7 | -178.2 | -78 | -68.6 | 0 | 0 | 111.7 | V215 I217 K261 I262 K267 E268 L269 | V215-M265 HydrophobicContact CG1-CE 3.82Å; V215-M265 HydrophobicContact CG1-SD 4.02Å; I217-M265 HydrophobicContact CD1-CE 3.31Å; I217-M265 HydrophobicContact CG1-CE 3.55Å; K261-M265 VanDerWaalsContact O-CB 3.23Å; K261-M265 WeakPolarHBondContact O-CB 3.35Å; K261-M265 PolarHBondContact O-N 3.31Å; I262-M265 PolarHBondContact O-N 2.88Å; M265-K267 VanDerWaalsContact C-N 3.34Å; M265-K267 PolarHBondContact O-N 3.15Å; M265-E268 PolarHBondContact O-N 2.88Å; M265-L269 WeakPolarHBondContact O-CB 3.46Å; M265-L269 PolarHBondContact O-N 2.56Å |
| 266 | L | 94 | Very high | 94.5 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.2 | -36.9 | 178.7 | -68.2 | 166.5 | 0 | 0 | 0 | 112 | I217 I262 E264 L269 S270 V282 L306 L309 F310 | I217-L266 HydrophobicContact CD1-CD1 4.49Å; I217-L266 HydrophobicContact CD1-CD2 4.31Å; I217-L266 HydrophobicContact CD1-CG 4.45Å; I262-L266 HydrophobicContact CG2-CD1 3.78Å; I262-L266 WeakPolarHBondContact O-CD1 3.43Å; I262-L266 VanDerWaalsContact O-CG 3.29Å; I262-L266 WeakPolarHBondContact O-CG 2.98Å; I262-L266 PolarHBondContact O-N 3.45Å; E264-L266 PolarHBondContact O-N 2.84Å; L266-L269 PolarHBondContact O-N 2.86Å; L266-S270 PolarHBondContact O-N 3.18Å; L266-V282 HydrophobicContact CD2-CG1 4.4Å; L266-L306 HydrophobicContact CD1-CB 4.26Å; L266-L306 HydrophobicContact CD1-CD1 3.57Å; L266-L306 HydrophobicContact CD1-CG 3.67Å; L266-L306 HydrophobicContact CD2-CG 4.47Å; L266-L309 HydrophobicContact CB-CD1 3.77Å; L266-F310 HydrophobicContact CD2-CE2 4.12Å; L266-F310 HydrophobicContact CD2-CZ 4.12Å |
| 267 | K | 94.3 | Very high | 94.5 | Very high | 105 Ų | 105 | 64.4 Ų | 64.4 | 46% | 0.457 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.6 | -44.3 | 172.8 | -78.6 | 173.4 | 179.1 | 176.9 | 0 | 111.4 | T263 E264 M265 L269 S270 K271 L309 | T263-K267 HydrophobicContact CG2-CD 4.13Å; T263-K267 WeakPolarHBondContact O-CB 3.49Å; T263-K267 VanDerWaalsContact O-CG 3.26Å; T263-K267 WeakPolarHBondContact O-CG 3.34Å; T263-K267 PolarHBondContact O-N 3.36Å; E264-K267 WeakPolarHBondContact O-CB 3.4Å; E264-K267 PolarHBondContact O-N 3.16Å; M265-K267 VanDerWaalsContact C-N 3.34Å; M265-K267 PolarHBondContact O-N 3.15Å; K267-L269 VanDerWaalsContact C-N 3.35Å; K267-S270 PolarHBondContact O-N 3.25Å; K267-S270 PolarHBondContact O-OG 3.16Å; K267-K271 WeakPolarHBondContact O-CG 3.05Å; K267-K271 PolarHBondContact O-N 3.13Å; K267-L309 HydrophobicContact CG-CD1 4.18Å; K267-L309 HydrophobicContact CG-CD2 3.84Å |
| 268 | E | 94.6 | Very high | 94.3 | Very high | 102 Ų | 102 | 64.1 Ų | 64.1 | 48% | 0.477 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 175.2 | -70 | -52.3 | 132.6 | 0 | 0 | 111.9 | E264 M265 S270 K271 | E264-E268 PolarHBondContact O-N 3.08Å; M265-E268 PolarHBondContact O-N 2.88Å; E268-S270 VanDerWaalsContact C-N 3.31Å; E268-S270 PolarHBondContact O-N 2.87Å; E268-K271 WeakPolarHBondContact O-CB 3.43Å; E268-K271 PolarHBondContact O-N 3.31Å; E268-K271 VanDerWaalsContact O-N 3.12Å; E268-K271 IonicContact OE1-NZ 2.68Å; E268-K271 PolarHBondContact OE1-NZ 3.11Å; E268-K271 IonicContact OE2-NZ 3.66Å |
| 269 | L | 94.3 | Very high | 94.3 | Very high | 18 Ų | 18 | 62.4 Ų | 62.4 | 9% | 0.094 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61 | -39.6 | 175 | -173.9 | 64.4 | 0 | 0 | 0 | 112 | V215 M265 L266 K267 K271 R272 F274 L280 F310 | V215-L269 HydrophobicContact CB-CD2 4.3Å; V215-L269 HydrophobicContact CG2-CD1 4.22Å; V215-L269 HydrophobicContact CG2-CD2 3.59Å; M265-L269 WeakPolarHBondContact O-CB 3.46Å; M265-L269 PolarHBondContact O-N 2.56Å; L266-L269 PolarHBondContact O-N 2.86Å; K267-L269 VanDerWaalsContact C-N 3.35Å; L269-K271 PolarHBondContact O-N 2.95Å; L269-R272 VanDerWaalsContact O-CB 3.29Å; L269-R272 WeakPolarHBondContact O-CB 3.06Å; L269-R272 PolarHBondContact O-N 2.95Å; L269-R272 VanDerWaalsContact O-N 3.11Å; L269-F274 HydrophobicContact CD1-CZ 4.01Å; L269-F274 HydrophobicContact CG-CZ 4.21Å; L269-F274 WeakPolarHBondContact O-CE2 3.34Å; L269-L280 HydrophobicContact CD2-CD1 4.33Å; L269-F310 HydrophobicContact CB-CE1 4.38Å; L269-F310 HydrophobicContact CB-CZ 4.34Å; L269-F310 HydrophobicContact CD2-CE1 3.97Å; L269-F310 HydrophobicContact CD2-CZ 3.81Å; L269-F310 HydrophobicContact CG-CE1 3.99Å; L269-F310 HydrophobicContact CG-CZ 4.19Å |
| 270 | S | 93 | Very high | 94.4 | Very high | 26 Ų | 26 | 62.2 Ų | 62.2 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.9 | -19.3 | 177.7 | 75.2 | 0 | 0 | 0 | 0 | 113.9 | L266 K267 E268 V313 | L266-S270 PolarHBondContact O-N 3.18Å; K267-S270 PolarHBondContact O-N 3.25Å; K267-S270 PolarHBondContact O-OG 3.16Å; E268-S270 VanDerWaalsContact C-N 3.31Å; E268-S270 PolarHBondContact O-N 2.87Å; S270-V313 WeakPolarHBondContact O-CG2 3.48Å |
| 271 | K | 93.3 | Very high | 94.5 | Very high | 143 Ų | 143 | 57.4 Ų | 57.4 | 62% | 0.622 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -10.5 | 177 | -62.4 | 170.9 | -171.2 | 170.4 | 0 | 113.4 | K267 E268 L269 | K267-K271 WeakPolarHBondContact O-CG 3.05Å; K267-K271 PolarHBondContact O-N 3.13Å; E268-K271 WeakPolarHBondContact O-CB 3.43Å; E268-K271 PolarHBondContact O-N 3.31Å; E268-K271 VanDerWaalsContact O-N 3.12Å; E268-K271 IonicContact OE1-NZ 2.68Å; E268-K271 PolarHBondContact OE1-NZ 3.11Å; E268-K271 IonicContact OE2-NZ 3.66Å; L269-K271 PolarHBondContact O-N 2.95Å |
| 272 | R | 92.9 | Very high | 94.5 | Very high | 124 Ų | 124 | 51.8 Ų | 51.8 | 47% | 0.468 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -68 | 145.3 | 179.5 | -179.6 | -176.5 | 169.5 | 93 | -1.2 | 110.3 | L269 F274 E277 | L269-R272 VanDerWaalsContact O-CB 3.29Å; L269-R272 WeakPolarHBondContact O-CB 3.06Å; L269-R272 PolarHBondContact O-N 2.95Å; L269-R272 VanDerWaalsContact O-N 3.11Å; R272-F274 HydrophobicContact CB-CD2 4.49Å; R272-F274 HydrophobicContact CB-CE2 3.84Å; R272-F274 HydrophobicContact CB-CZ 4Å; R272-F274 HydrophobicContact CG-CE2 4.33Å; R272-F274 HydrophobicContact CG-CZ 4.29Å; R272-F274 WeakPolarHBondContact O-CD2 3.29Å; R272-F274 VanDerWaalsContact O-CE2 3.28Å; R272-F274 WeakPolarHBondContact O-CE2 3.49Å; R272-E277 IonicContact CZ-OE1 3.62Å; R272-E277 IonicContact NE-OE1 3.74Å; R272-E277 PolarHBondContact NE-OE1 3.16Å; R272-E277 IonicContact NH2-OE1 2.62Å; R272-E277 PolarHBondContact NH2-OE1 3.23Å |
| 273 | D | 92.8 | Very high | 94.6 | Very high | 102 Ų | 102 | 51.8 Ų | 51.8 | 55% | 0.545 | 25% | 0.249 | S | C | . | . | trans | -81.7 | 119.8 | 169.1 | 178.4 | 24.8 | 0 | 0 | 0 | 111 | S275 S315 | D273-S275 WeakPolarHBondContact OD1-CB 3.45Å; D273-S275 PolarHBondContact OD1-N 3.19Å; D273-S275 PolarHBondContact OD1-OG 2.93Å; D273-S315 WeakPolarHBondContact OD1-CB 3.36Å | ||
| 274 | F | 92.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -100.9 | 11.7 | 178.2 | -63 | -91.6 | 0 | 0 | 0 | 112.8 | L269 R272 K276 E277 L280 V313 S315 L316 K319 | L269-F274 HydrophobicContact CD1-CZ 4.01Å; L269-F274 HydrophobicContact CG-CZ 4.21Å; L269-F274 WeakPolarHBondContact O-CE2 3.34Å; R272-F274 HydrophobicContact CB-CD2 4.49Å; R272-F274 HydrophobicContact CB-CE2 3.84Å; R272-F274 HydrophobicContact CB-CZ 4Å; R272-F274 HydrophobicContact CG-CE2 4.33Å; R272-F274 HydrophobicContact CG-CZ 4.29Å; R272-F274 WeakPolarHBondContact O-CD2 3.29Å; R272-F274 VanDerWaalsContact O-CE2 3.28Å; R272-F274 WeakPolarHBondContact O-CE2 3.49Å; F274-K276 PolarHBondContact O-N 3.38Å; F274-K276 VanDerWaalsContact O-N 3.11Å; F274-E277 WeakPolarHBondContact CD1-OE2 3.08Å; F274-E277 PolarHBondContact O-N 3.49Å; F274-E277 VanDerWaalsContact O-O 3.07Å; F274-L280 HydrophobicContact CE1-CD1 4.01Å; F274-L280 HydrophobicContact CZ-CD1 4.41Å; F274-V313 HydrophobicContact CD2-CG1 3.9Å; F274-V313 HydrophobicContact CE2-CG1 4.18Å; F274-S315 PolarHBondContact N-OG 3.37Å; F274-L316 HydrophobicContact CB-CD2 3.55Å; F274-L316 HydrophobicContact CB-CG 3.84Å; F274-L316 HydrophobicContact CD1-CD2 3.92Å; F274-L316 HydrophobicContact CD1-CG 4.4Å; F274-L316 HydrophobicContact CD2-CD1 3.83Å; F274-L316 HydrophobicContact CD2-CD2 4.15Å; F274-L316 HydrophobicContact CD2-CG 3.75Å; F274-L316 HydrophobicContact CE2-CD1 3.99Å; F274-L316 HydrophobicContact CE2-CG 4.42Å; F274-L316 HydrophobicContact CG-CD1 4.11Å; F274-L316 HydrophobicContact CG-CD2 3.61Å; F274-L316 HydrophobicContact CG-CG 3.74Å; F274-L316 HydrophobicContact CZ-CD1 4.43Å; F274-K319 PolarHBondContact O-NZ 3.36Å | ||
| 275 | S | 91.5 | Very high | 94.7 | Very high | 70 Ų | 70 | 43.9 Ų | 43.9 | 49% | 0.49 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -30.6 | -173.1 | -63.8 | 0 | 0 | 0 | 0 | 113.5 | D273 K319 | D273-S275 WeakPolarHBondContact OD1-CB 3.45Å; D273-S275 PolarHBondContact OD1-N 3.19Å; D273-S275 PolarHBondContact OD1-OG 2.93Å; S275-K319 PolarHBondContact O-NZ 3.16Å |
| 276 | K | 92.8 | Very high | 94.5 | Very high | 169 Ų | 169 | 42.6 Ų | 42.6 | 74% | 0.735 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | 8.4 | 178.4 | -60.4 | -177.2 | -179 | 178.6 | 0 | 114.4 | F274 | F274-K276 PolarHBondContact O-N 3.38Å; F274-K276 VanDerWaalsContact O-N 3.11Å |
| 277 | E | 93.9 | Very high | 94.1 | Very high | 11 Ų | 11 | 44.6 Ų | 44.6 | 5% | 0.051 | 21% | 0.212 | C | C | . | . | trans | -118.4 | 148.5 | -180 | -64.2 | -178.9 | -171.4 | 0 | 0 | 108.7 | G212 C213 R272 F274 K319 | G212-E277 WeakPolarHBondContact CA-OE2 3.18Å; C213-E277 PolarHBondContact N-OE2 2.9Å; C213-E277 VanDerWaalsContact N-OE2 3.14Å; R272-E277 IonicContact CZ-OE1 3.62Å; R272-E277 IonicContact NE-OE1 3.74Å; R272-E277 PolarHBondContact NE-OE1 3.16Å; R272-E277 IonicContact NH2-OE1 2.62Å; R272-E277 PolarHBondContact NH2-OE1 3.23Å; F274-E277 WeakPolarHBondContact CD1-OE2 3.08Å; F274-E277 PolarHBondContact O-N 3.49Å; F274-E277 VanDerWaalsContact O-O 3.07Å; E277-K319 VanDerWaalsContact O-CD 3.29Å; E277-K319 WeakPolarHBondContact O-CD 3.4Å; E277-K319 WeakPolarHBondContact O-CE 3.45Å; E277-K319 PolarHBondContact O-NZ 3.22Å | ||
| 278 | D | 93.6 | Very high | 93.5 | Very high | 16 Ų | 16 | 39.9 Ų | 39.9 | 9% | 0.086 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -88.4 | -29.6 | 179.6 | -63.2 | -47.8 | 0 | 0 | 0 | 113 | L206 T207 Q208 R211 K319 P320 | L206-D278 VanDerWaalsContact CA-OD2 3.28Å; L206-D278 WeakPolarHBondContact CA-OD2 3.4Å; L206-D278 HydrophobicContact CD2-CB 3.63Å; T207-D278 PolarHBondContact N-OD2 2.8Å; Q208-D278 WeakPolarHBondContact CA-OD2 3.15Å; Q208-D278 VanDerWaalsContact CB-OD2 3.3Å; Q208-D278 WeakPolarHBondContact CB-OD2 3.42Å; Q208-D278 WeakPolarHBondContact CG-OD1 3.42Å; Q208-D278 PolarHBondContact N-OD2 3.2Å; R211-D278 WeakPolarHBondContact O-CA 3.19Å; R211-D278 WeakPolarHBondContact O-CB 3.3Å; R211-D278 PolarHBondContact O-N 2.66Å; D278-K319 VanDerWaalsContact O-CB 3.25Å; D278-K319 WeakPolarHBondContact O-CB 3.43Å; D278-K319 WeakPolarHBondContact O-CG 3.32Å; D278-P320 WeakPolarHBondContact O-CD 3.47Å |
| 279 | A | 95.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 158.9 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L206 R211 G212 F249 P320 | L206-A279 HydrophobicContact CD2-CB 4.27Å; R211-A279 PolarHBondContact O-N 3.11Å; G212-A279 WeakPolarHBondContact CA-O 3.34Å; F249-A279 HydrophobicContact CE1-CB 3.77Å; F249-A279 HydrophobicContact CZ-CB 3.89Å; A279-P320 WeakPolarHBondContact CA-O 3.44Å; A279-P320 HydrophobicContact CB-CG 3.77Å |
| 280 | L | 96.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 135.6 | 171.1 | 172.3 | 64.2 | 0 | 0 | 0 | 109.6 | C213 L269 F274 V282 F310 L316 P320 L322 | C213-L280 HydrophobicContact CB-CD1 4.49Å; L269-L280 HydrophobicContact CD2-CD1 4.33Å; F274-L280 HydrophobicContact CE1-CD1 4.01Å; F274-L280 HydrophobicContact CZ-CD1 4.41Å; L280-V282 HydrophobicContact CD1-CG2 4.11Å; L280-V282 HydrophobicContact CD2-CG2 4.23Å; L280-V282 HydrophobicContact CG-CG2 4.07Å; L280-F310 HydrophobicContact CD2-CD1 3.41Å; L280-F310 VanDerWaalsContact CD2-CD1 3.41Å; L280-F310 HydrophobicContact CD2-CE1 3.64Å; L280-F310 HydrophobicContact CD2-CG 3.98Å; L280-F310 HydrophobicContact CD2-CZ 4.37Å; L280-L316 HydrophobicContact CB-CD1 4.31Å; L280-L316 HydrophobicContact CB-CD2 4.15Å; L280-L316 HydrophobicContact CD2-CD1 3.86Å; L280-P320 PolarHBondContact N-O 3.47Å; L280-L322 PolarHBondContact O-N 2.85Å |
| 281 | V | 98.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 132.5 | 170.7 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | C213 C214 V215 F244 F249 L322 F324 | C213-V281 PolarHBondContact O-N 3.39Å; C214-V281 CarbonylContact C-O 3.52Å; C214-V281 VanDerWaalsContact CA-O 3.32Å; C214-V281 WeakPolarHBondContact CA-O 3.19Å; C214-V281 HydrophobicContact CB-CB 4.09Å; V215-V281 PolarHBondContact N-O 3.5Å; F244-V281 HydrophobicContact CD1-CG1 4.31Å; F244-V281 HydrophobicContact CD1-CG2 4.15Å; F244-V281 HydrophobicContact CE1-CB 4.35Å; F244-V281 HydrophobicContact CE1-CG1 3.82Å; F244-V281 HydrophobicContact CE1-CG2 3.85Å; F244-V281 HydrophobicContact CE2-CG1 4.13Å; F244-V281 HydrophobicContact CZ-CG1 3.73Å; F249-V281 HydrophobicContact CD1-CG2 4.01Å; F249-V281 HydrophobicContact CE1-CG2 3.65Å; F249-V281 HydrophobicContact CZ-CG2 4Å; V281-L322 CarbonylContact C-O 3.53Å; V281-L322 WeakPolarHBondContact CA-O 3.46Å; V281-L322 HydrophobicContact CG2-CB 4.26Å; V281-L322 HydrophobicContact CG2-CD1 4.07Å; V281-L322 HydrophobicContact CG2-CG 4.36Å; V281-F324 HydrophobicContact CG1-CD2 4.09Å; V281-F324 HydrophobicContact CG1-CE2 4.13Å |
| 282 | V | 97.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 117.3 | 174.3 | -176.8 | 0 | 0 | 0 | 0 | 109.3 | V215 L266 L280 V284 L322 F323 F324 | V215-V282 CarbonylContact O-C 3.51Å; V215-V282 WeakPolarHBondContact O-CA 3.4Å; L266-V282 HydrophobicContact CD2-CG1 4.4Å; L280-V282 HydrophobicContact CD1-CG2 4.11Å; L280-V282 HydrophobicContact CD2-CG2 4.23Å; L280-V282 HydrophobicContact CG-CG2 4.07Å; V282-V284 HydrophobicContact CG1-CG2 4.16Å; V282-L322 PolarHBondContact N-O 3.12Å; V282-F323 HydrophobicContact CB-CD1 3.71Å; V282-F323 HydrophobicContact CB-CE1 3.94Å; V282-F323 HydrophobicContact CG1-CD1 4.29Å; V282-F323 HydrophobicContact CG2-CD1 4.19Å; V282-F323 HydrophobicContact CG2-CE1 3.9Å; V282-F323 CarbonylContact O-C 3.46Å; V282-F323 VanDerWaalsContact O-CA 3.27Å; V282-F323 WeakPolarHBondContact O-CA 3.34Å; V282-F324 PolarHBondContact O-N 3.42Å |
| 283 | C | 98 | Very high | 91 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128 | 174.8 | -61.2 | 0 | 0 | 0 | 0 | 109.2 | V215 I216 I217 L240 L285 F324 | V215-C283 PolarHBondContact O-N 3.03Å; I216-C283 CarbonylContact C-O 3.56Å; I216-C283 WeakPolarHBondContact CA-O 3.45Å; I216-C283 HydrophobicContact CG1-CB 4.12Å; I216-C283 HydrophobicContact CG2-CB 4.45Å; I217-C283 PolarHBondContact N-O 3.31Å; L240-C283 HydrophobicContact CD1-CB 3.99Å; C283-L285 HydrophobicContact CB-CD1 4.36Å; C283-F324 CarbonylContact C-O 3.5Å; C283-F324 VanDerWaalsContact CA-O 3.31Å; C283-F324 WeakPolarHBondContact CA-O 3.32Å |
| 284 | V | 96.5 | Very high | 90.8 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.006 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 119.5 | 176.4 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | I217 V282 I293 L306 F324 I325 Q326 | I217-V284 HydrophobicContact CB-CG1 4.48Å; I217-V284 HydrophobicContact CD1-CG2 4.2Å; V282-V284 HydrophobicContact CG1-CG2 4.16Å; V284-I293 HydrophobicContact CG1-CD1 3.77Å; V284-I293 HydrophobicContact CG1-CG2 4.17Å; V284-L306 HydrophobicContact CG2-CD1 4Å; V284-F324 PolarHBondContact N-O 2.89Å; V284-I325 HydrophobicContact CB-CD1 3.82Å; V284-I325 HydrophobicContact CG2-CD1 3.74Å; V284-Q326 PolarHBondContact O-N 2.86Å |
| 285 | L | 95.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 103.3 | 178.3 | -52.3 | 96.8 | 0 | 0 | 0 | 108.1 | I216 I217 N219 R230 D236 L240 C283 Q326 I390 | I216-L285 HydrophobicContact CG2-CD1 3.66Å; I217-L285 PolarHBondContact O-N 3.15Å; N219-L285 PolarHBondContact N-O 3.33Å; R230-L285 PolarHBondContact NH1-O 3.48Å; D236-L285 HydrophobicContact CB-CD2 3.41Å; D236-L285 VanDerWaalsContact CB-CD2 3.41Å; L240-L285 HydrophobicContact CD1-CD1 3.95Å; L240-L285 HydrophobicContact CD1-CD2 4.24Å; C283-L285 HydrophobicContact CB-CD1 4.36Å; L285-Q326 HydrophobicContact CB-CB 4.5Å; L285-Q326 HydrophobicContact CG-CB 4.29Å; L285-I390 HydrophobicContact CD2-CD1 4.37Å; L285-I390 HydrophobicContact CD2-CG1 3.86Å |
| 286 | S | 92 | Very high | 90.8 | Very high | 4 Ų | 4 | 22.5 Ų | 22.5 | 3% | 0.028 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -149.9 | -179.3 | 179.6 | -160.3 | 0 | 0 | 0 | 0 | 112.2 | N219 F222 R230 I294 Q326 | N219-S286 WeakPolarHBondContact CB-OG 3.46Å; F222-S286 WeakPolarHBondContact CZ-OG 3.33Å; R230-S286 PolarHBondContact NE-O 3.18Å; S286-I294 PolarHBondContact OG-O 3.45Å; S286-Q326 PolarHBondContact N-O 3.35Å; S286-Q326 VanDerWaalsContact O-O 3.11Å |
| 287 | H | 86.3 | Confident | 90.8 | Very high | 44 Ų | 44 | 17 Ų | 17 | 20% | 0.204 | 9% | 0.088 | C | C | . | . | trans | -69.4 | 158 | 154.5 | -71.9 | -66 | 0 | 0 | 0 | 109.5 | F222 Y227 R228 R230 I294 | F222-H287 AromaticContact CD2-CD2 3.71Å; F222-H287 AromaticContact CE2-CD2 3.49Å; F222-H287 VanDerWaalsContact CE2-CD2 3.49Å; F222-H287 WeakPolarHBondContact CE2-CD2 2.95Å; F222-H287 HydrophobicContact CZ-CB 4.47Å; F222-H287 AromaticContact CZ-CD2 3.63Å; Y227-H287 HydrophobicContact CD1-CB 3.91Å; Y227-H287 AromaticContact CD1-CG 3.92Å; Y227-H287 HydrophobicContact CE1-CB 4.34Å; Y227-H287 HydrophobicContact CG-CB 4.5Å; R228-H287 PolarHBondContact O-NE2 3.34Å; R230-H287 WeakPolarHBondContact CG-NE2 3.27Å; H287-I294 HydrophobicContact CB-CB 4.05Å; H287-I294 HydrophobicContact CB-CG1 4.24Å; H287-I294 PolarHBondContact O-N 2.96Å | ||
| 288 | G | 82 | Confident | 90.4 | Very high | 6 Ų | 6 | 17.4 Ų | 17.4 | 6% | 0.062 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 169.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I292 C328 | G288-I292 WeakPolarHBondContact CA-O 3.37Å; G288-C328 CarbonylContact C-O 3.52Å; G288-C328 VanDerWaalsContact C-O 3.29Å; G288-C328 WeakPolarHBondContact O-CB 3.22Å |
| 289 | E | 78.4 | Confident | 90.3 | Very high | 32 Ų | 32 | 21.9 Ų | 21.9 | 15% | 0.15 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 178.6 | 174.7 | -61.9 | 179.4 | -163.4 | 0 | 0 | 106.8 | K226 Y227 G291 I292 C328 Q329 V332 | K226-E289 IonicContact NZ-OE1 2.87Å; Y227-E289 PolarHBondContact OH-OE1 2.99Å; E289-G291 PolarHBondContact O-N 3.44Å; E289-I292 HydrophobicContact CB-CB 4.44Å; E289-I292 PolarHBondContact N-O 3.34Å; E289-I292 PolarHBondContact O-N 3Å; E289-I292 VanDerWaalsContact O-O 3.05Å; E289-C328 PolarHBondContact N-O 3.43Å; E289-Q329 PolarHBondContact O-NE2 3.1Å; E289-V332 HydrophobicContact CG-CG2 4.22Å; E289-V332 WeakPolarHBondContact OE1-CG2 3.45Å; E289-V332 VanDerWaalsContact OE2-CG2 3.3Å; E289-V332 WeakPolarHBondContact OE2-CG2 3.47Å |
| 290 | R | 81.1 | Confident | 90 | Very high | 114 Ų | 114 | 27.1 Ų | 27.1 | 43% | 0.43 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | 114.2 | -179.2 | -167.6 | -178.2 | 74.5 | -154.9 | -11 | 111.6 | I292 D330 E331 Y376 | R290-I292 VanDerWaalsContact C-N 3.26Å; R290-I292 PolarHBondContact O-N 3.27Å; R290-D330 PolarHBondContact N-O 3.45Å; R290-E331 IonicContact CZ-OE1 3.38Å; R290-E331 IonicContact NH1-OE1 3.46Å; R290-E331 PolarHBondContact NH1-OE1 2.93Å; R290-E331 IonicContact NH2-OE1 2.88Å; R290-Y376 VanDerWaalsContact NH1-CE1 3.29Å; R290-Y376 PolarHBondContact NH1-OH 3.27Å |
| 291 | G | 78.3 | Confident | 89.8 | Confident | 27 Ų | 27 | 27.5 Ų | 27.5 | 28% | 0.278 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 7.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | E289 L303 | E289-G291 PolarHBondContact O-N 3.44Å; G291-L303 PolarHBondContact O-N 2.83Å |
| 292 | I | 85.6 | Confident | 89.5 | Confident | 28 Ų | 28 | 33.4 Ų | 33.4 | 14% | 0.144 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 141.2 | -169.2 | -64.3 | 167.6 | 0 | 0 | 0 | 110.8 | G288 E289 R290 I294 E300 V301 | G288-I292 WeakPolarHBondContact CA-O 3.37Å; E289-I292 HydrophobicContact CB-CB 4.44Å; E289-I292 PolarHBondContact N-O 3.34Å; E289-I292 PolarHBondContact O-N 3Å; E289-I292 VanDerWaalsContact O-O 3.05Å; R290-I292 VanDerWaalsContact C-N 3.26Å; R290-I292 PolarHBondContact O-N 3.27Å; I292-I294 HydrophobicContact CG2-CD1 4.04Å; I292-E300 HydrophobicContact CG2-CB 3.56Å; I292-E300 HydrophobicContact CG2-CG 3.75Å; I292-V301 WeakPolarHBondContact CA-O 3.44Å |
| 293 | I | 90.9 | Very high | 89 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 148.9 | 164.4 | 64.4 | 179 | 0 | 0 | 0 | 109.7 | I262 V284 V301 L303 L306 I325 A327 | I262-I293 HydrophobicContact CG2-CD1 4.16Å; V284-I293 HydrophobicContact CG1-CD1 3.77Å; V284-I293 HydrophobicContact CG1-CG2 4.17Å; I293-V301 HydrophobicContact CD1-CB 4.17Å; I293-V301 HydrophobicContact CD1-CG1 4.29Å; I293-V301 HydrophobicContact CG1-CB 3.68Å; I293-V301 HydrophobicContact CG1-CG1 4.26Å; I293-V301 WeakPolarHBondContact CG1-O 3.44Å; I293-V301 PolarHBondContact N-O 2.89Å; I293-V301 PolarHBondContact O-N 3.17Å; I293-L303 HydrophobicContact CG2-CD2 3.65Å; I293-L303 HydrophobicContact CG2-CG 4.12Å; I293-L306 HydrophobicContact CD1-CD1 4.38Å; I293-I325 HydrophobicContact CG2-CG2 4.34Å; I293-A327 HydrophobicContact CG2-CB 4.28Å |
| 294 | I | 89.1 | Confident | 88.5 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 131.8 | -176.6 | -59 | -61 | 0 | 0 | 0 | 110.4 | N219 F222 Y227 S286 H287 I292 K299 E300 | N219-I294 PolarHBondContact ND2-O 3.31Å; F222-I294 HydrophobicContact CD1-CG2 4.44Å; F222-I294 HydrophobicContact CE1-CG2 4.1Å; Y227-I294 HydrophobicContact CD2-CG2 3.68Å; Y227-I294 HydrophobicContact CE1-CG1 4.06Å; Y227-I294 HydrophobicContact CE1-CG2 4.46Å; Y227-I294 HydrophobicContact CE2-CB 4.46Å; Y227-I294 HydrophobicContact CE2-CD1 4.3Å; Y227-I294 HydrophobicContact CE2-CG1 4.21Å; Y227-I294 HydrophobicContact CE2-CG2 3.49Å; Y227-I294 VanDerWaalsContact CE2-CG2 3.49Å; Y227-I294 HydrophobicContact CG-CG2 4.26Å; Y227-I294 WeakPolarHBondContact OH-CD1 3.5Å; S286-I294 PolarHBondContact OG-O 3.45Å; H287-I294 HydrophobicContact CB-CB 4.05Å; H287-I294 HydrophobicContact CB-CG1 4.24Å; H287-I294 PolarHBondContact O-N 2.96Å; I292-I294 HydrophobicContact CG2-CD1 4.04Å; I294-K299 WeakPolarHBondContact CA-O 3.49Å; I294-E300 HydrophobicContact CD1-CG 3.79Å |
| 295 | G | 93 | Very high | 88.1 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -75.8 | 163.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F222 D297 G298 K299 | F222-G295 WeakPolarHBondContact CD1-O 3.27Å; F222-G295 WeakPolarHBondContact CE1-O 3.35Å; G295-D297 PolarHBondContact O-N 3.46Å; G295-D297 VanDerWaalsContact O-N 3.13Å; G295-G298 WeakPolarHBondContact O-CA 3.49Å; G295-G298 PolarHBondContact O-N 2.9Å; G295-K299 PolarHBondContact N-O 3.02Å | ||
| 296 | T | 92.3 | Very high | 87.8 | Confident | 19 Ų | 19 | 43.2 Ų | 43.2 | 12% | 0.117 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -20.7 | 178.2 | 51.5 | 0 | 0 | 0 | 0 | 114.2 | N219 D221 N256 L257 T258 G298 | N219-T296 HydrophobicContact CB-CG2 4.1Å; D221-T296 VanDerWaalsContact O-CB 3.31Å; D221-T296 WeakPolarHBondContact O-CB 3.19Å; D221-T296 WeakPolarHBondContact O-CG2 3.37Å; N256-T296 VanDerWaalsContact C-CG2 3.41Å; N256-T296 VanDerWaalsContact CA-CG2 3.45Å; N256-T296 HydrophobicContact CB-CG2 3.87Å; N256-T296 PolarHBondContact O-OG1 3.34Å; L257-T296 VanDerWaalsContact C-OG1 3.32Å; L257-T296 PolarHBondContact O-N 2.77Å; L257-T296 PolarHBondContact O-OG1 3.45Å; T258-T296 PolarHBondContact N-OG1 2.9Å; T296-G298 PolarHBondContact O-N 2.93Å |
| 297 | D | 91.1 | Very high | 87.6 | Confident | 52 Ų | 52 | 43.9 Ų | 43.9 | 28% | 0.278 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 1.4 | 171.3 | 59.2 | -23.5 | 0 | 0 | 0 | 113.9 | T258 A259 G295 K299 | T258-D297 HydrophobicContact CG2-CB 4.02Å; A259-D297 PolarHBondContact N-OD1 3.19Å; G295-D297 PolarHBondContact O-N 3.46Å; G295-D297 VanDerWaalsContact O-N 3.13Å; D297-K299 PolarHBondContact O-N 3.31Å; D297-K299 VanDerWaalsContact OD2-CD 3.26Å; D297-K299 WeakPolarHBondContact OD2-CD 3.4Å; D297-K299 WeakPolarHBondContact OD2-CG 3.37Å; D297-K299 IonicContact OD2-NZ 2.71Å |
| 298 | G | 86.4 | Confident | 87.7 | Confident | 20 Ų | 20 | 45.1 Ų | 45.1 | 21% | 0.206 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 75 | 5.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G295 T296 | G295-G298 WeakPolarHBondContact O-CA 3.49Å; G295-G298 PolarHBondContact O-N 2.9Å; T296-G298 PolarHBondContact O-N 2.93Å |
| 299 | K | 91.4 | Very high | 88.1 | Confident | 111 Ų | 111 | 47 Ų | 47 | 48% | 0.483 | 24% | 0.238 | S | C | . | . | trans | -85.5 | 158.8 | 176.4 | -65.6 | -172.5 | -164.8 | 164.9 | 0 | 111.6 | A259 D260 I294 G295 D297 | A259-K299 HydrophobicContact CB-CB 3.63Å; D260-K299 IonicContact OD2-NZ 3.85Å; I294-K299 WeakPolarHBondContact CA-O 3.49Å; G295-K299 PolarHBondContact N-O 3.02Å; D297-K299 PolarHBondContact O-N 3.31Å; D297-K299 VanDerWaalsContact OD2-CD 3.26Å; D297-K299 WeakPolarHBondContact OD2-CD 3.4Å; D297-K299 WeakPolarHBondContact OD2-CG 3.37Å; D297-K299 IonicContact OD2-NZ 2.71Å | ||
| 300 | E | 90.8 | Very high | 88.5 | Confident | 110 Ų | 110 | 45.5 Ų | 45.5 | 51% | 0.514 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 141.6 | -172.1 | -63.4 | 173.6 | -168.1 | 0 | 0 | 112.2 | I292 I294 | I292-E300 HydrophobicContact CG2-CB 3.56Å; I292-E300 HydrophobicContact CG2-CG 3.75Å; I294-E300 HydrophobicContact CD1-CG 3.79Å |
| 301 | V | 91.9 | Very high | 88.8 | Confident | 9 Ų | 9 | 42.8 Ų | 42.8 | 6% | 0.055 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 123.3 | 167.6 | -177.4 | 0 | 0 | 0 | 0 | 107.9 | A259 I262 I292 I293 | A259-V301 HydrophobicContact CB-CG2 3.52Å; I262-V301 HydrophobicContact CB-CG2 4.47Å; I262-V301 HydrophobicContact CG2-CG1 4.39Å; I262-V301 HydrophobicContact CG2-CG2 4.48Å; I292-V301 WeakPolarHBondContact CA-O 3.44Å; I293-V301 HydrophobicContact CD1-CB 4.17Å; I293-V301 HydrophobicContact CD1-CG1 4.29Å; I293-V301 HydrophobicContact CG1-CB 3.68Å; I293-V301 HydrophobicContact CG1-CG1 4.26Å; I293-V301 WeakPolarHBondContact CG1-O 3.44Å; I293-V301 PolarHBondContact N-O 2.89Å; I293-V301 PolarHBondContact O-N 3.17Å |
| 302 | K | 90.8 | Very high | 88.9 | Confident | 123 Ų | 123 | 46.6 Ų | 46.6 | 54% | 0.535 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 134.4 | 177.8 | -65.1 | -175 | 178.2 | -175.9 | 0 | 110.7 | D304 N305 L306 | K302-D304 VanDerWaalsContact C-N 3.32Å; K302-D304 PolarHBondContact O-N 2.85Å; K302-N305 HydrophobicContact CB-CB 4.41Å; K302-N305 PolarHBondContact O-N 3.17Å; K302-L306 PolarHBondContact O-N 2.83Å |
| 303 | L | 88.4 | Confident | 89.1 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.8 | -35.8 | 176.6 | -76.9 | 171 | 0 | 0 | 0 | 112.3 | G291 I293 N305 L306 F307 I325 M371 | G291-L303 PolarHBondContact O-N 2.83Å; I293-L303 HydrophobicContact CG2-CD2 3.65Å; I293-L303 HydrophobicContact CG2-CG 4.12Å; L303-N305 VanDerWaalsContact C-N 3.29Å; L303-N305 PolarHBondContact O-N 3.43Å; L303-L306 WeakPolarHBondContact O-CA 3.48Å; L303-L306 VanDerWaalsContact O-CB 3.27Å; L303-L306 WeakPolarHBondContact O-CB 3.24Å; L303-L306 PolarHBondContact O-N 3.21Å; L303-F307 HydrophobicContact CB-CE2 3.8Å; L303-F307 HydrophobicContact CB-CZ 4.08Å; L303-F307 HydrophobicContact CD2-CZ 4.21Å; L303-F307 WeakPolarHBondContact O-CD2 3.44Å; L303-F307 WeakPolarHBondContact O-CG 3.49Å; L303-F307 PolarHBondContact O-N 2.84Å; L303-I325 HydrophobicContact CD1-CG2 4.29Å; L303-I325 HydrophobicContact CD2-CD1 4.18Å; L303-I325 HydrophobicContact CD2-CG1 4.27Å; L303-I325 HydrophobicContact CD2-CG2 4Å; L303-M371 HydrophobicContact CD1-CE 3.69Å; L303-M371 HydrophobicContact CD1-SD 4.27Å |
| 304 | D | 87.5 | Confident | 89 | Confident | 104 Ų | 104 | 50.1 Ų | 50.1 | 56% | 0.556 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -59 | -42.8 | 177.5 | -62.4 | -25.8 | 0 | 0 | 0 | 111.5 | K302 L306 F307 D308 | K302-D304 VanDerWaalsContact C-N 3.32Å; K302-D304 PolarHBondContact O-N 2.85Å; D304-L306 PolarHBondContact O-N 3.28Å; D304-F307 PolarHBondContact O-N 3.34Å; D304-F307 VanDerWaalsContact O-N 3.16Å; D304-D308 WeakPolarHBondContact O-CB 3.43Å; D304-D308 VanDerWaalsContact O-CG 3.24Å; D304-D308 PolarHBondContact O-N 2.98Å |
| 305 | N | 86.9 | Confident | 89 | Confident | 96 Ų | 96 | 51 Ų | 51 | 51% | 0.513 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.6 | -32.8 | 175.2 | -66.9 | 0.8 | 0 | 0 | 0 | 112.1 | K302 L303 L309 | K302-N305 HydrophobicContact CB-CB 4.41Å; K302-N305 PolarHBondContact O-N 3.17Å; L303-N305 VanDerWaalsContact C-N 3.29Å; L303-N305 PolarHBondContact O-N 3.43Å; N305-L309 VanDerWaalsContact O-CG 3.31Å; N305-L309 WeakPolarHBondContact O-CG 3.39Å |
| 306 | L | 89 | Confident | 88.9 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -69.6 | -46.3 | 176.9 | -179.6 | 157.4 | 0 | 0 | 0 | 110.5 | L266 V284 I293 K302 L303 D304 F310 F323 | L266-L306 HydrophobicContact CD1-CB 4.26Å; L266-L306 HydrophobicContact CD1-CD1 3.57Å; L266-L306 HydrophobicContact CD1-CG 3.67Å; L266-L306 HydrophobicContact CD2-CG 4.47Å; V284-L306 HydrophobicContact CG2-CD1 4Å; I293-L306 HydrophobicContact CD1-CD1 4.38Å; K302-L306 PolarHBondContact O-N 2.83Å; L303-L306 WeakPolarHBondContact O-CA 3.48Å; L303-L306 VanDerWaalsContact O-CB 3.27Å; L303-L306 WeakPolarHBondContact O-CB 3.24Å; L303-L306 PolarHBondContact O-N 3.21Å; D304-L306 PolarHBondContact O-N 3.28Å; L306-F310 VanDerWaalsContact O-CD2 3.26Å; L306-F310 WeakPolarHBondContact O-CD2 3.22Å; L306-F323 HydrophobicContact CD2-CD1 3.44Å; L306-F323 VanDerWaalsContact CD2-CD1 3.44Å; L306-F323 HydrophobicContact CD2-CE1 3.43Å; L306-F323 VanDerWaalsContact CD2-CE1 3.43Å; L306-F323 HydrophobicContact CD2-CG 4.49Å; L306-F323 HydrophobicContact CD2-CZ 4.47Å |
| 307 | F | 88.9 | Confident | 88.8 | Confident | 18 Ų | 18 | 53.1 Ų | 53.1 | 8% | 0.079 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.7 | -40.7 | -178.8 | -53.8 | -42.7 | 0 | 0 | 0 | 112.1 | L303 D304 L309 F310 K311 F323 I325 I369 | L303-F307 HydrophobicContact CB-CE2 3.8Å; L303-F307 HydrophobicContact CB-CZ 4.08Å; L303-F307 HydrophobicContact CD2-CZ 4.21Å; L303-F307 WeakPolarHBondContact O-CD2 3.44Å; L303-F307 WeakPolarHBondContact O-CG 3.49Å; L303-F307 PolarHBondContact O-N 2.84Å; D304-F307 PolarHBondContact O-N 3.34Å; D304-F307 VanDerWaalsContact O-N 3.16Å; F307-L309 PolarHBondContact O-N 3.2Å; F307-F310 PolarHBondContact O-N 3.4Å; F307-F310 VanDerWaalsContact O-N 3.08Å; F307-K311 PolarHBondContact O-N 3.05Å; F307-F323 HydrophobicContact CD1-CB 4.43Å; F307-F323 AromaticContact CD1-CD1 3.95Å; F307-F323 HydrophobicContact CD1-CD1 3.95Å; F307-F323 HydrophobicContact CD1-CD2 4.04Å; F307-F323 HydrophobicContact CD1-CE1 4.2Å; F307-F323 HydrophobicContact CD1-CE2 4.27Å; F307-F323 AromaticContact CD1-CG 3.87Å; F307-F323 HydrophobicContact CD1-CG 3.87Å; F307-F323 HydrophobicContact CD1-CZ 4.36Å; F307-F323 HydrophobicContact CE1-CB 3.84Å; F307-F323 AromaticContact CE1-CD1 3.98Å; F307-F323 HydrophobicContact CE1-CD1 3.98Å; F307-F323 HydrophobicContact CE1-CD2 4.28Å; F307-F323 AromaticContact CE1-CG 3.77Å; F307-F323 HydrophobicContact CE1-CG 3.77Å; F307-I325 HydrophobicContact CZ-CG1 4.48Å; F307-I369 HydrophobicContact CD1-CD1 4.13Å; F307-I369 HydrophobicContact CD1-CG1 4.26Å; F307-I369 HydrophobicContact CD2-CD1 3.78Å; F307-I369 HydrophobicContact CE1-CD1 3.99Å; F307-I369 HydrophobicContact CE1-CG1 3.9Å; F307-I369 HydrophobicContact CE1-CG2 4.22Å; F307-I369 HydrophobicContact CE2-CD1 3.61Å; F307-I369 HydrophobicContact CE2-CG1 4.35Å; F307-I369 HydrophobicContact CE2-CG2 4.45Å; F307-I369 HydrophobicContact CG-CD1 4.05Å; F307-I369 HydrophobicContact CZ-CD1 3.72Å; F307-I369 HydrophobicContact CZ-CG1 3.95Å; F307-I369 HydrophobicContact CZ-CG2 3.74Å |
| 308 | D | 87.9 | Confident | 88.6 | Confident | 71 Ų | 71 | 52.1 Ų | 52.1 | 38% | 0.38 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.6 | -29.9 | -177.1 | -74.4 | -18.9 | 0 | 0 | 0 | 113.3 | D304 F310 K311 | D304-D308 WeakPolarHBondContact O-CB 3.43Å; D304-D308 VanDerWaalsContact O-CG 3.24Å; D304-D308 PolarHBondContact O-N 2.98Å; D308-F310 PolarHBondContact O-N 2.82Å; D308-K311 PolarHBondContact O-N 2.86Å; D308-K311 WeakPolarHBondContact OD1-CD 3.48Å; D308-K311 VanDerWaalsContact OD1-CE 3.23Å; D308-K311 WeakPolarHBondContact OD1-CE 3.25Å; D308-K311 IonicContact OD1-NZ 3.82Å; D308-K311 PolarHBondContact OD1-NZ 3.11Å |
| 309 | L | 89.5 | Confident | 88.9 | Confident | 44 Ų | 44 | 53.1 Ų | 53.1 | 23% | 0.23 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.8 | -31 | 175.4 | -73.7 | 169.2 | 0 | 0 | 0 | 112.7 | L266 K267 N305 F307 V313 | L266-L309 HydrophobicContact CB-CD1 3.77Å; K267-L309 HydrophobicContact CG-CD1 4.18Å; K267-L309 HydrophobicContact CG-CD2 3.84Å; N305-L309 VanDerWaalsContact O-CG 3.31Å; N305-L309 WeakPolarHBondContact O-CG 3.39Å; F307-L309 PolarHBondContact O-N 3.2Å; L309-V313 WeakPolarHBondContact O-CG2 3.48Å |
| 310 | F | 88.8 | Confident | 89.2 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -99.6 | -8.1 | -175 | -60.5 | -76.7 | 0 | 0 | 0 | 114 | L266 L269 L280 L306 F307 D308 N312 V313 L316 K321 F323 | L266-F310 HydrophobicContact CD2-CE2 4.12Å; L266-F310 HydrophobicContact CD2-CZ 4.12Å; L269-F310 HydrophobicContact CB-CE1 4.38Å; L269-F310 HydrophobicContact CB-CZ 4.34Å; L269-F310 HydrophobicContact CD2-CE1 3.97Å; L269-F310 HydrophobicContact CD2-CZ 3.81Å; L269-F310 HydrophobicContact CG-CE1 3.99Å; L269-F310 HydrophobicContact CG-CZ 4.19Å; L280-F310 HydrophobicContact CD2-CD1 3.41Å; L280-F310 VanDerWaalsContact CD2-CD1 3.41Å; L280-F310 HydrophobicContact CD2-CE1 3.64Å; L280-F310 HydrophobicContact CD2-CG 3.98Å; L280-F310 HydrophobicContact CD2-CZ 4.37Å; L306-F310 VanDerWaalsContact O-CD2 3.26Å; L306-F310 WeakPolarHBondContact O-CD2 3.22Å; F307-F310 PolarHBondContact O-N 3.4Å; F307-F310 VanDerWaalsContact O-N 3.08Å; D308-F310 PolarHBondContact O-N 2.82Å; F310-N312 VanDerWaalsContact C-N 3.29Å; F310-N312 PolarHBondContact O-N 3.29Å; F310-V313 HydrophobicContact CD1-CG2 4.38Å; F310-L316 HydrophobicContact CD1-CD1 4.3Å; F310-K321 HydrophobicContact CB-CD 4.46Å; F310-F323 HydrophobicContact CB-CZ 4.14Å; F310-F323 AromaticContact CD2-CE1 3.83Å; F310-F323 HydrophobicContact CD2-CE1 3.83Å; F310-F323 AromaticContact CD2-CZ 3.69Å; F310-F323 HydrophobicContact CD2-CZ 3.69Å; F310-F323 HydrophobicContact CE2-CE1 4.19Å; F310-F323 HydrophobicContact CE2-CZ 4.47Å; F310-F323 HydrophobicContact CG-CZ 4.1Å |
| 311 | K | 85.6 | Confident | 89.4 | Confident | 57 Ų | 57 | 42.9 Ų | 42.9 | 25% | 0.248 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.3 | -30.3 | 173.5 | -70 | 179 | 178.7 | 171.6 | 0 | 112.8 | F307 D308 F317 D364 I367 | F307-K311 PolarHBondContact O-N 3.05Å; D308-K311 PolarHBondContact O-N 2.86Å; D308-K311 WeakPolarHBondContact OD1-CD 3.48Å; D308-K311 VanDerWaalsContact OD1-CE 3.23Å; D308-K311 WeakPolarHBondContact OD1-CE 3.25Å; D308-K311 IonicContact OD1-NZ 3.82Å; D308-K311 PolarHBondContact OD1-NZ 3.11Å; K311-F317 WeakPolarHBondContact O-CE1 3.25Å; K311-D364 WeakPolarHBondContact CD-OD1 3.24Å; K311-D364 IonicContact NZ-OD1 3.28Å; K311-I367 HydrophobicContact CG-CD1 3.91Å |
| 312 | N | 82.3 | Confident | 89.7 | Confident | 107 Ų | 107 | 42.5 Ų | 42.5 | 57% | 0.572 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 24.3 | -173.9 | -67.4 | -58.3 | 0 | 0 | 0 | 113.6 | F310 P314 | F310-N312 VanDerWaalsContact C-N 3.29Å; F310-N312 PolarHBondContact O-N 3.29Å; N312-P314 VanDerWaalsContact O-CD 3.31Å; N312-P314 WeakPolarHBondContact O-CD 3.24Å |
| 313 | V | 88.9 | Confident | 90 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 4% | 0.036 | 20% | 0.202 | C | C | . | . | trans | -95 | 104.4 | 176.5 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | S270 F274 L309 F310 S315 L316 | S270-V313 WeakPolarHBondContact O-CG2 3.48Å; F274-V313 HydrophobicContact CD2-CG1 3.9Å; F274-V313 HydrophobicContact CE2-CG1 4.18Å; L309-V313 WeakPolarHBondContact O-CG2 3.48Å; F310-V313 HydrophobicContact CD1-CG2 4.38Å; V313-S315 VanDerWaalsContact C-N 3.29Å; V313-S315 PolarHBondContact O-N 3.15Å; V313-L316 HydrophobicContact CB-CB 4.32Å; V313-L316 HydrophobicContact CB-CD1 4.06Å; V313-L316 HydrophobicContact CB-CG 4.4Å; V313-L316 HydrophobicContact CG1-CB 4.29Å; V313-L316 HydrophobicContact CG1-CD1 3.9Å; V313-L316 HydrophobicContact CG1-CG 3.99Å; V313-L316 PolarHBondContact O-N 3.24Å | ||
| 314 | P | 87.8 | Confident | 90.5 | Very high | 96 Ų | 96 | 36.4 Ų | 36.4 | 62% | 0.623 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -60.9 | -34.9 | -169.7 | -25.4 | 36.1 | 0 | 0 | 0 | 113.9 | N312 L316 F317 | N312-P314 VanDerWaalsContact O-CD 3.31Å; N312-P314 WeakPolarHBondContact O-CD 3.24Å; P314-L316 PolarHBondContact O-N 2.99Å; P314-L316 VanDerWaalsContact O-N 3.14Å; P314-F317 HydrophobicContact CB-CD2 4.49Å; P314-F317 HydrophobicContact CB-CE2 4.19Å; P314-F317 WeakPolarHBondContact O-CG 3.4Å; P314-F317 PolarHBondContact O-N 3.24Å |
| 315 | S | 90.3 | Very high | 90.8 | Very high | 20 Ų | 20 | 31.5 Ų | 31.5 | 14% | 0.14 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -69.1 | -7.5 | 179 | 57.3 | 0 | 0 | 0 | 0 | 114.4 | D273 F274 V313 K319 | D273-S315 WeakPolarHBondContact OD1-CB 3.36Å; F274-S315 PolarHBondContact N-OG 3.37Å; V313-S315 VanDerWaalsContact C-N 3.29Å; V313-S315 PolarHBondContact O-N 3.15Å; S315-K319 WeakPolarHBondContact O-CD 3.47Å; S315-K319 PolarHBondContact O-NZ 3.43Å |
| 316 | L | 90 | Very high | 91.2 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -107.9 | 4.9 | 176.6 | -71.3 | 175.4 | 0 | 0 | 0 | 113.6 | F274 L280 F310 V313 P314 K319 K321 | F274-L316 HydrophobicContact CB-CD2 3.55Å; F274-L316 HydrophobicContact CB-CG 3.84Å; F274-L316 HydrophobicContact CD1-CD2 3.92Å; F274-L316 HydrophobicContact CD1-CG 4.4Å; F274-L316 HydrophobicContact CD2-CD1 3.83Å; F274-L316 HydrophobicContact CD2-CD2 4.15Å; F274-L316 HydrophobicContact CD2-CG 3.75Å; F274-L316 HydrophobicContact CE2-CD1 3.99Å; F274-L316 HydrophobicContact CE2-CG 4.42Å; F274-L316 HydrophobicContact CG-CD1 4.11Å; F274-L316 HydrophobicContact CG-CD2 3.61Å; F274-L316 HydrophobicContact CG-CG 3.74Å; F274-L316 HydrophobicContact CZ-CD1 4.43Å; L280-L316 HydrophobicContact CB-CD1 4.31Å; L280-L316 HydrophobicContact CB-CD2 4.15Å; L280-L316 HydrophobicContact CD2-CD1 3.86Å; F310-L316 HydrophobicContact CD1-CD1 4.3Å; V313-L316 HydrophobicContact CB-CB 4.32Å; V313-L316 HydrophobicContact CB-CD1 4.06Å; V313-L316 HydrophobicContact CB-CG 4.4Å; V313-L316 HydrophobicContact CG1-CB 4.29Å; V313-L316 HydrophobicContact CG1-CD1 3.9Å; V313-L316 HydrophobicContact CG1-CG 3.99Å; V313-L316 PolarHBondContact O-N 3.24Å; P314-L316 PolarHBondContact O-N 2.99Å; P314-L316 VanDerWaalsContact O-N 3.14Å; L316-K319 HydrophobicContact CD2-CB 4.45Å; L316-K319 HydrophobicContact CD2-CD 4.46Å; L316-K319 PolarHBondContact O-N 3.01Å; L316-K321 HydrophobicContact CB-CD 4.26Å; L316-K321 HydrophobicContact CD1-CD 4.5Å; L316-K321 HydrophobicContact CD1-CG 4.38Å; L316-K321 PolarHBondContact O-NZ 3.15Å |
| 317 | F | 90.4 | Very high | 91.1 | Very high | 63 Ų | 63 | 27.1 Ų | 27.1 | 28% | 0.276 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | 134.1 | 173.9 | -66.2 | -15.7 | 0 | 0 | 0 | 111 | K311 P314 K319 K363 | K311-F317 WeakPolarHBondContact O-CE1 3.25Å; P314-F317 HydrophobicContact CB-CD2 4.49Å; P314-F317 HydrophobicContact CB-CE2 4.19Å; P314-F317 WeakPolarHBondContact O-CG 3.4Å; P314-F317 PolarHBondContact O-N 3.24Å; F317-K319 PolarHBondContact O-N 2.99Å; F317-K363 HydrophobicContact CE1-CG 4.44Å; F317-K363 HydrophobicContact CZ-CG 4.24Å |
| 318 | G | 87.6 | Confident | 90.6 | Very high | 31 Ų | 31 | 27.6 Ų | 27.6 | 32% | 0.32 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 2.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y204 D366 | Y204-G318 WeakPolarHBondContact CE1-O 3.28Å; G318-D366 WeakPolarHBondContact CA-OD2 3.1Å; G318-D366 PolarHBondContact N-OD2 3.42Å; G318-D366 VanDerWaalsContact N-OD2 3.16Å |
| 319 | K | 93.4 | Very high | 89.9 | Confident | 40 Ų | 40 | 24.8 Ų | 24.8 | 17% | 0.174 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -110.3 | 138 | -177.1 | -68 | -178.3 | -173.7 | 172.7 | 0 | 111.2 | F274 S275 E277 D278 S315 L316 F317 K321 D366 | F274-K319 PolarHBondContact O-NZ 3.36Å; S275-K319 PolarHBondContact O-NZ 3.16Å; E277-K319 VanDerWaalsContact O-CD 3.29Å; E277-K319 WeakPolarHBondContact O-CD 3.4Å; E277-K319 WeakPolarHBondContact O-CE 3.45Å; E277-K319 PolarHBondContact O-NZ 3.22Å; D278-K319 VanDerWaalsContact O-CB 3.25Å; D278-K319 WeakPolarHBondContact O-CB 3.43Å; D278-K319 WeakPolarHBondContact O-CG 3.32Å; S315-K319 WeakPolarHBondContact O-CD 3.47Å; S315-K319 PolarHBondContact O-NZ 3.43Å; L316-K319 HydrophobicContact CD2-CB 4.45Å; L316-K319 HydrophobicContact CD2-CD 4.46Å; L316-K319 PolarHBondContact O-N 3.01Å; F317-K319 PolarHBondContact O-N 2.99Å; K319-K321 PolarHBondContact O-N 2.99Å; K319-K321 PolarHBondContact O-NZ 2.94Å; K319-D366 VanDerWaalsContact O-CB 3.31Å; K319-D366 WeakPolarHBondContact O-CB 3.4Å |
| 320 | P | 96 | Very high | 89 | Confident | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.013 | 14% | 0.141 | C | C | . | . | trans | -67.9 | 131.9 | -179 | 27.2 | -33.6 | 0 | 0 | 0 | 111.7 | Y204 D278 A279 L280 L322 D366 L438 L442 | Y204-P320 HydrophobicContact CD1-CG 4.29Å; Y204-P320 HydrophobicContact CD2-CB 4.44Å; Y204-P320 HydrophobicContact CD2-CG 4.42Å; Y204-P320 HydrophobicContact CE2-CB 4.38Å; Y204-P320 HydrophobicContact CG-CG 4.15Å; D278-P320 WeakPolarHBondContact O-CD 3.47Å; A279-P320 WeakPolarHBondContact CA-O 3.44Å; A279-P320 HydrophobicContact CB-CG 3.77Å; L280-P320 PolarHBondContact N-O 3.47Å; P320-L322 HydrophobicContact CB-CD2 4.15Å; P320-D366 CarbonylContact C-O 3.58Å; P320-D366 WeakPolarHBondContact CA-O 3.49Å; P320-L438 HydrophobicContact CB-CD2 4.09Å; P320-L442 HydrophobicContact CB-CD1 4.42Å; P320-L442 HydrophobicContact CB-CD2 4.01Å; P320-L442 HydrophobicContact CG-CD1 3.97Å; P320-L442 HydrophobicContact CG-CD2 4.36Å | ||
| 321 | K | 96.4 | Very high | 87.3 | Confident | 5 Ų | 5 | 30.2 Ų | 30.2 | 2% | 0.022 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 104 | 178.4 | -65.5 | 159.9 | -76.8 | -76 | 0 | 108.1 | F310 L316 K319 F323 G365 D366 I367 L368 | F310-K321 HydrophobicContact CB-CD 4.46Å; L316-K321 HydrophobicContact CB-CD 4.26Å; L316-K321 HydrophobicContact CD1-CD 4.5Å; L316-K321 HydrophobicContact CD1-CG 4.38Å; L316-K321 PolarHBondContact O-NZ 3.15Å; K319-K321 PolarHBondContact O-N 2.99Å; K319-K321 PolarHBondContact O-NZ 2.94Å; K321-F323 HydrophobicContact CB-CE2 3.96Å; K321-G365 VanDerWaalsContact CE-O 3.27Å; K321-G365 WeakPolarHBondContact CE-O 3.46Å; K321-G365 PolarHBondContact NZ-O 3.5Å; K321-D366 PolarHBondContact N-O 3.3Å; K321-I367 HydrophobicContact CB-CG1 4.2Å; K321-I367 HydrophobicContact CD-CG1 4.19Å; K321-I367 WeakPolarHBondContact O-CA 3.39Å; K321-L368 PolarHBondContact O-N 3.19Å |
| 322 | L | 97.6 | Very high | 85.7 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 126.6 | -172.8 | -43.6 | -176.1 | 0 | 0 | 0 | 110.3 | L280 V281 V282 P320 F324 L368 L442 | L280-L322 PolarHBondContact O-N 2.85Å; V281-L322 CarbonylContact C-O 3.53Å; V281-L322 WeakPolarHBondContact CA-O 3.46Å; V281-L322 HydrophobicContact CG2-CB 4.26Å; V281-L322 HydrophobicContact CG2-CD1 4.07Å; V281-L322 HydrophobicContact CG2-CG 4.36Å; V282-L322 PolarHBondContact N-O 3.12Å; P320-L322 HydrophobicContact CB-CD2 4.15Å; L322-F324 HydrophobicContact CB-CE2 3.95Å; L322-F324 HydrophobicContact CB-CZ 4.28Å; L322-F324 HydrophobicContact CD1-CE2 4.37Å; L322-F324 HydrophobicContact CD1-CZ 4.44Å; L322-L368 CarbonylContact C-O 3.5Å; L322-L368 WeakPolarHBondContact CA-O 3.31Å; L322-L368 HydrophobicContact CD2-CB 3.72Å; L322-L368 HydrophobicContact CD2-CD2 3.82Å; L322-L368 HydrophobicContact CD2-CG 4.37Å; L322-L442 HydrophobicContact CD1-CD2 3.82Å; L322-L442 HydrophobicContact CD2-CD2 3.63Å; L322-L442 HydrophobicContact CG-CD2 4.28Å |
| 323 | F | 97.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 121.4 | 177 | -60.8 | -88.3 | 0 | 0 | 0 | 109.3 | V282 L306 F307 F310 K321 I325 I367 L368 I369 G370 | V282-F323 HydrophobicContact CB-CD1 3.71Å; V282-F323 HydrophobicContact CB-CE1 3.94Å; V282-F323 HydrophobicContact CG1-CD1 4.29Å; V282-F323 HydrophobicContact CG2-CD1 4.19Å; V282-F323 HydrophobicContact CG2-CE1 3.9Å; V282-F323 CarbonylContact O-C 3.46Å; V282-F323 VanDerWaalsContact O-CA 3.27Å; V282-F323 WeakPolarHBondContact O-CA 3.34Å; L306-F323 HydrophobicContact CD2-CD1 3.44Å; L306-F323 VanDerWaalsContact CD2-CD1 3.44Å; L306-F323 HydrophobicContact CD2-CE1 3.43Å; L306-F323 VanDerWaalsContact CD2-CE1 3.43Å; L306-F323 HydrophobicContact CD2-CG 4.49Å; L306-F323 HydrophobicContact CD2-CZ 4.47Å; F307-F323 HydrophobicContact CD1-CB 4.43Å; F307-F323 AromaticContact CD1-CD1 3.95Å; F307-F323 HydrophobicContact CD1-CD1 3.95Å; F307-F323 HydrophobicContact CD1-CD2 4.04Å; F307-F323 HydrophobicContact CD1-CE1 4.2Å; F307-F323 HydrophobicContact CD1-CE2 4.27Å; F307-F323 AromaticContact CD1-CG 3.87Å; F307-F323 HydrophobicContact CD1-CG 3.87Å; F307-F323 HydrophobicContact CD1-CZ 4.36Å; F307-F323 HydrophobicContact CE1-CB 3.84Å; F307-F323 AromaticContact CE1-CD1 3.98Å; F307-F323 HydrophobicContact CE1-CD1 3.98Å; F307-F323 HydrophobicContact CE1-CD2 4.28Å; F307-F323 AromaticContact CE1-CG 3.77Å; F307-F323 HydrophobicContact CE1-CG 3.77Å; F310-F323 HydrophobicContact CB-CZ 4.14Å; F310-F323 AromaticContact CD2-CE1 3.83Å; F310-F323 HydrophobicContact CD2-CE1 3.83Å; F310-F323 AromaticContact CD2-CZ 3.69Å; F310-F323 HydrophobicContact CD2-CZ 3.69Å; F310-F323 HydrophobicContact CE2-CE1 4.19Å; F310-F323 HydrophobicContact CE2-CZ 4.47Å; F310-F323 HydrophobicContact CG-CZ 4.1Å; K321-F323 HydrophobicContact CB-CE2 3.96Å; F323-I325 HydrophobicContact CB-CD1 4.37Å; F323-I367 HydrophobicContact CD2-CG2 3.96Å; F323-I367 HydrophobicContact CE2-CG2 3.99Å; F323-L368 PolarHBondContact N-O 3.15Å; F323-I369 HydrophobicContact CB-CG1 4.29Å; F323-I369 HydrophobicContact CD2-CG1 4.32Å; F323-I369 CarbonylContact O-C 3.29Å; F323-I369 WeakPolarHBondContact O-CA 3.44Å; F323-G370 PolarHBondContact O-N 3.47Å |
| 324 | F | 97.6 | Very high | 81.1 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 111 | 175.6 | -61.4 | -68.1 | 0 | 0 | 0 | 109.4 | F244 V281 V282 C283 V284 L322 G370 L393 L413 | F244-F324 HydrophobicContact CZ-CD2 4.26Å; F244-F324 AromaticContact CZ-CE2 3.83Å; F244-F324 HydrophobicContact CZ-CE2 3.83Å; V281-F324 HydrophobicContact CG1-CD2 4.09Å; V281-F324 HydrophobicContact CG1-CE2 4.13Å; V282-F324 PolarHBondContact O-N 3.42Å; C283-F324 CarbonylContact C-O 3.5Å; C283-F324 VanDerWaalsContact CA-O 3.31Å; C283-F324 WeakPolarHBondContact CA-O 3.32Å; V284-F324 PolarHBondContact N-O 2.89Å; L322-F324 HydrophobicContact CB-CE2 3.95Å; L322-F324 HydrophobicContact CB-CZ 4.28Å; L322-F324 HydrophobicContact CD1-CE2 4.37Å; L322-F324 HydrophobicContact CD1-CZ 4.44Å; F324-G370 WeakPolarHBondContact CA-O 3.35Å; F324-L393 HydrophobicContact CB-CD2 4.09Å; F324-L393 HydrophobicContact CD1-CD1 4.29Å; F324-L393 HydrophobicContact CD1-CD2 3.55Å; F324-L393 HydrophobicContact CD2-CD2 4.28Å; F324-L393 HydrophobicContact CE1-CD1 3.97Å; F324-L393 HydrophobicContact CE1-CD2 4Å; F324-L393 HydrophobicContact CG-CD2 3.7Å; F324-L393 HydrophobicContact CZ-CD1 4.49Å; F324-L413 HydrophobicContact CE1-CD2 4.24Å |
| 325 | I | 95.2 | Very high | 78.5 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 107.4 | -168.9 | -49.2 | -59.5 | 0 | 0 | 0 | 109.8 | V284 I293 L303 F307 F323 A327 G370 M371 A372 | V284-I325 HydrophobicContact CB-CD1 3.82Å; V284-I325 HydrophobicContact CG2-CD1 3.74Å; I293-I325 HydrophobicContact CG2-CG2 4.34Å; L303-I325 HydrophobicContact CD1-CG2 4.29Å; L303-I325 HydrophobicContact CD2-CD1 4.18Å; L303-I325 HydrophobicContact CD2-CG1 4.27Å; L303-I325 HydrophobicContact CD2-CG2 4Å; F307-I325 HydrophobicContact CZ-CG1 4.48Å; F323-I325 HydrophobicContact CB-CD1 4.37Å; I325-A327 HydrophobicContact CG2-CB 4.15Å; I325-G370 PolarHBondContact N-O 2.94Å; I325-M371 HydrophobicContact CB-CE 4.13Å; I325-M371 HydrophobicContact CB-SD 3.62Å; I325-M371 HydrophobicContact CG1-SD 3.83Å; I325-M371 HydrophobicContact CG2-CE 3.94Å; I325-M371 HydrophobicContact CG2-SD 4.05Å; I325-A372 WeakPolarHBondContact O-CB 3.44Å; I325-A372 PolarHBondContact O-N 2.73Å |
| 326 | Q | 93.8 | Very high | 76.3 | Confident | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.028 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 92 | 170 | 172.5 | 59.6 | 40.9 | 0 | 0 | 109.3 | V284 L285 S286 A379 S387 I390 | V284-Q326 PolarHBondContact O-N 2.86Å; L285-Q326 HydrophobicContact CB-CB 4.5Å; L285-Q326 HydrophobicContact CG-CB 4.29Å; S286-Q326 PolarHBondContact N-O 3.35Å; S286-Q326 VanDerWaalsContact O-O 3.11Å; Q326-A379 VanDerWaalsContact NE2-CB 3.28Å; Q326-S387 WeakPolarHBondContact CG-OG 3.5Å; Q326-I390 HydrophobicContact CB-CD1 4.22Å; Q326-I390 HydrophobicContact CB-CG1 4.13Å; Q326-I390 HydrophobicContact CG-CG1 4.4Å |
| 327 | A | 87.7 | Confident | 73.7 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | trans | -152.7 | 152.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | I293 I325 | I293-A327 HydrophobicContact CG2-CB 4.28Å; I325-A327 HydrophobicContact CG2-CB 4.15Å | ||
| 328 | C | 79.4 | Confident | 71.1 | Confident | 28 Ų | 28 | 55.9 Ų | 55.9 | 19% | 0.189 | 33% | 0.326 | C | S | . | . | trans | -67.6 | 157.3 | 171.9 | -65.4 | 0 | 0 | 0 | 0 | 110.8 | G288 E289 D330 | G288-C328 CarbonylContact C-O 3.52Å; G288-C328 VanDerWaalsContact C-O 3.29Å; G288-C328 WeakPolarHBondContact O-CB 3.22Å; E289-C328 PolarHBondContact N-O 3.43Å; C328-D330 WeakPolarHBondContact CB-OD1 3.36Å | ||
| 329 | Q | 73.3 | Confident | 68.6 | Low | 12 Ų | 12 | 64 Ų | 64 | 6% | 0.056 | 35% | 0.353 | C | S | . | . | trans | -130.1 | 23.4 | 178.7 | -67.1 | -63.6 | -65.2 | 0 | 0 | 111.8 | E289 M371 T373 Y376 S377 | E289-Q329 PolarHBondContact O-NE2 3.1Å; Q329-M371 HydrophobicContact CG-CE 4.05Å; Q329-T373 HydrophobicContact CB-CG2 4.07Å; Q329-T373 HydrophobicContact CG-CG2 4.02Å; Q329-Y376 VanDerWaalsContact O-CA 3.27Å; Q329-Y376 WeakPolarHBondContact O-CA 3.21Å; Q329-Y376 PolarHBondContact O-N 3.29Å; Q329-S377 CarbonylContact C-O 3.34Å; Q329-S377 PolarHBondContact N-O 3Å | ||
| 330 | D | 69.4 | Low | 65.6 | Low | 45 Ų | 45 | 68.2 Ų | 68.2 | 24% | 0.241 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 161.2 | 176.7 | 53.3 | -14.5 | 0 | 0 | 0 | 112.5 | R290 C328 S377 K378 | R290-D330 PolarHBondContact N-O 3.45Å; C328-D330 WeakPolarHBondContact CB-OD1 3.36Å; D330-S377 PolarHBondContact N-O 3.04Å; D330-K378 WeakPolarHBondContact OD2-CE 3.35Å |
| 331 | E | 53.7 | Low | 62.8 | Low | 114 Ų | 114 | 75 Ų | 75 | 53% | 0.533 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -91.1 | 138.7 | 169.3 | -70.7 | -172.5 | 164.4 | 0 | 0 | 109.3 | R290 Y376 | R290-E331 IonicContact CZ-OE1 3.38Å; R290-E331 IonicContact NH1-OE1 3.46Å; R290-E331 PolarHBondContact NH1-OE1 2.93Å; R290-E331 IonicContact NH2-OE1 2.88Å; E331-Y376 HydrophobicContact CG-CD1 4.17Å; E331-Y376 HydrophobicContact CG-CE1 4.16Å |
| 332 | V | 51 | Low | 59.8 | Low | 75 Ų | 75 | 83.1 Ų | 83.1 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 134.5 | 173.5 | -170.1 | 0 | 0 | 0 | 0 | 109.1 | E289 L334 | E289-V332 HydrophobicContact CG-CG2 4.22Å; E289-V332 WeakPolarHBondContact OE1-CG2 3.45Å; E289-V332 VanDerWaalsContact OE2-CG2 3.3Å; E289-V332 WeakPolarHBondContact OE2-CG2 3.47Å; V332-L334 PolarHBondContact O-N 3.25Å; V332-L334 VanDerWaalsContact O-N 3.1Å |
| 333 | P | 38 | Very low | 57 | Low | 103 Ų | 103 | 91 Ų | 91 | 67% | 0.669 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 118.7 | 165.7 | -16.1 | 28.2 | 0 | 0 | 0 | 108.2 | T335 | P333-T335 PolarHBondContact O-N 3.35Š|
| 334 | L | 37.7 | Very low | 53.9 | Low | 181 Ų | 181 | 99.3 Ų | 99.3 | 95% | 0.948 | 54% | 0.537 | S | S | * | . | trans | -58.6 | 82.8 | 175.8 | -71.9 | 162.4 | 0 | 0 | 0 | 110.8 | V332 | V332-L334 PolarHBondContact O-N 3.25Å; V332-L334 VanDerWaalsContact O-N 3.1Å | ||
| 335 | T | 33.5 | Very low | 50.9 | Low | 126 Ų | 126 | 108.1 Ų | 108.1 | 77% | 0.773 | 58% | 0.578 | S | S | * | * | trans | -96.3 | 99.5 | 164.6 | 52.9 | 0 | 0 | 0 | 0 | 108.6 | P333 | P333-T335 PolarHBondContact O-N 3.35Š| ||
| 336 | A | 43.8 | Very low | 47.8 | Very low | 92 Ų | 92 | 113.4 Ų | 113.4 | 76% | 0.76 | 62% | 0.615 | S | S | * | * | S | Bend | trans | 54.1 | 83.4 | 153.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||
| 337 | T | 34 | Very low | 44.8 | Very low | 138 Ų | 138 | 122.2 Ų | 122.2 | 85% | 0.847 | 65% | 0.653 | S | S | * | * | -160.3 | 113.5 | 127.6 | 3.7 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 338 | Q | 36.3 | Very low | 41.9 | Very low | 174 Ų | 174 | 131.1 Ų | 131.1 | 81% | 0.813 | 70% | 0.695 | S | S | * | * | trans | 38.7 | 103.6 | 157 | -61.3 | -175.9 | 5.9 | 0 | 0 | 118.9 | T340 | Q338-T340 PolarHBondContact O-N 2.98Å; Q338-T340 VanDerWaalsContact O-N 3.17Å | ||
| 339 | K | 35.9 | Very low | 39.4 | Very low | 201 Ų | 201 | 135.7 Ų | 135.7 | 87% | 0.874 | 72% | 0.722 | S | S | * | * | trans | -50.2 | 116 | 150.8 | -69 | 180 | 175.9 | -177.2 | 0 | 109.3 | ||||
| 340 | T | 29.9 | Very low | 37.3 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | trans | -116.2 | 117.9 | 147.3 | 38.6 | 0 | 0 | 0 | 0 | 106.7 | Q338 | Q338-T340 PolarHBondContact O-N 2.98Å; Q338-T340 VanDerWaalsContact O-N 3.17Å | ||
| 341 | N | 37.4 | Very low | 35.4 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -60.2 | 137.8 | 173.7 | -60 | -36.3 | 0 | 0 | 0 | 108.7 | ||||
| 342 | Q | 33.1 | Very low | 34.1 | Very low | 176 Ų | 176 | 146.6 Ų | 146.6 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -163.2 | 114.1 | 134.3 | -105.7 | 162.1 | 36.1 | 0 | 0 | 109.3 | ||||
| 343 | D | 38.1 | Very low | 33.5 | Very low | 166 Ų | 166 | 148 Ų | 148 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | -60.4 | 123.5 | 159.9 | -66.7 | -52.2 | 0 | 0 | 0 | 108.3 | ||||
| 344 | E | 33.9 | Very low | 33 | Very low | 175 Ų | 175 | 149.6 Ų | 149.6 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -131.5 | 113.8 | 157.2 | -75.2 | -160.6 | 162.4 | 0 | 0 | 111 | ||||
| 345 | Q | 34.2 | Very low | 32.7 | Very low | 184 Ų | 184 | 150.7 Ų | 150.7 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | -83.7 | 102.3 | 179.4 | -166.7 | 173.4 | 52 | 0 | 0 | 107.4 | K347 | Q345-K347 PolarHBondContact O-N 3.32Š| ||
| 346 | S | 30.2 | Very low | 32.5 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | trans | -78.8 | 105.8 | 176.9 | 57 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 347 | K | 30 | Very low | 31.9 | Very low | 190 Ų | 190 | 151.5 Ų | 151.5 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 122.7 | 163.1 | -71 | 177.3 | 175.4 | 176.4 | 0 | 109.3 | Q345 | Q345-K347 PolarHBondContact O-N 3.32Š|
| 348 | E | 26.8 | Very low | 31.9 | Very low | 188 Ų | 188 | 150 Ų | 150 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 120.2 | 163.1 | -70.8 | -174.6 | 173.5 | 0 | 0 | 109.4 | ||
| 349 | T | 26.7 | Very low | 32.1 | Very low | 124 Ų | 124 | 146.6 Ų | 146.6 | 76% | 0.761 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 140.9 | 167.8 | 42.5 | 0 | 0 | 0 | 0 | 109.9 | S351 | T349-S351 PolarHBondContact O-N 3.13Š|
| 350 | P | 28.7 | Very low | 32.1 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 124.2 | 173.9 | 31.2 | -29 | 0 | 0 | 0 | 108.9 | ||
| 351 | S | 29.8 | Very low | 33.2 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 128.2 | 168.5 | 64.7 | 0 | 0 | 0 | 0 | 110.2 | T349 | T349-S351 PolarHBondContact O-N 3.13Š|
| 352 | D | 27.4 | Very low | 33.8 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 154.2 | -173.4 | -75.6 | -47.7 | 0 | 0 | 0 | 116.6 | ||
| 353 | S | 37.5 | Very low | 35.2 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 137.9 | 175.4 | 52.9 | 0 | 0 | 0 | 0 | 116.2 | ||
| 354 | V | 28.1 | Very low | 36.5 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 82% | 0.818 | 73% | 0.732 | S | S | * | * | trans | -129.6 | 124.7 | 149.2 | -177 | 0 | 0 | 0 | 0 | 107.2 | S356 | V354-S356 PolarHBondContact O-N 3.44Š| ||
| 355 | F | 32 | Very low | 38.6 | Very low | 205 Ų | 205 | 120 Ų | 120 | 90% | 0.899 | 70% | 0.696 | S | S | * | * | trans | -50.9 | 107.6 | 175 | -81.6 | -97.8 | 0 | 0 | 0 | 110.1 | ||||
| 356 | S | 29.4 | Very low | 41.4 | Very low | 109 Ų | 109 | 111.4 Ų | 111.4 | 76% | 0.762 | 66% | 0.655 | S | S | * | * | trans | -87.2 | 120.1 | 170.6 | 55.9 | 0 | 0 | 0 | 0 | 108.8 | V354 A358 | V354-S356 PolarHBondContact O-N 3.44Å; S356-A358 PolarHBondContact O-N 3.05Å | ||
| 357 | D | 29.6 | Very low | 44.4 | Very low | 126 Ų | 126 | 106.6 Ų | 106.6 | 67% | 0.674 | 62% | 0.621 | S | S | * | * | trans | -43.4 | 117.6 | 167.9 | -168.9 | 0.3 | 0 | 0 | 0 | 110.3 | S359 C360 | D357-S359 PolarHBondContact O-N 3.39Å; D357-C360 PolarHBondContact O-N 2.81Å; D357-C360 VanDerWaalsContact O-N 3.12Å | ||
| 358 | A | 34.4 | Very low | 47.6 | Very low | 106 Ų | 106 | 97.6 Ų | 97.6 | 88% | 0.876 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -5.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S356 | S356-A358 PolarHBondContact O-N 3.05Š|
| 359 | S | 40.5 | Very low | 50.9 | Low | 102 Ų | 102 | 89.8 Ų | 89.8 | 71% | 0.713 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -12.2 | 175.3 | -178.5 | 0 | 0 | 0 | 0 | 114.5 | D357 | D357-S359 PolarHBondContact O-N 3.39Š|
| 360 | C | 35.5 | Very low | 54.1 | Low | 82 Ų | 82 | 83.9 Ų | 83.9 | 55% | 0.554 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -94.6 | 123.2 | -178.8 | -162.7 | 0 | 0 | 0 | 0 | 110.7 | D357 | D357-C360 PolarHBondContact O-N 2.81Å; D357-C360 VanDerWaalsContact O-N 3.12Å |
| 361 | P | 53 | Low | 57.1 | Low | 59 Ų | 59 | 78.4 Ų | 78.4 | 38% | 0.383 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -54.9 | 140.7 | 175.3 | -24.2 | 33.1 | 0 | 0 | 0 | 111.6 | K363 | P361-K363 PolarHBondContact O-N 2.88Š|
| 362 | S | 51.1 | Low | 59.9 | Low | 77 Ų | 77 | 72.7 Ų | 72.7 | 54% | 0.538 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 137.8 | 176.1 | 176 | 0 | 0 | 0 | 0 | 110.9 | D364 G365 | S362-D364 PolarHBondContact O-N 3.18Å; S362-D364 PolarHBondContact OG-N 2.97Å; S362-G365 PolarHBondContact O-N 3.11Å |
| 363 | K | 62 | Low | 62.4 | Low | 121 Ų | 121 | 65.3 Ų | 65.3 | 53% | 0.526 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -23.3 | 174.7 | -62.8 | 179.3 | -179.1 | 178.6 | 0 | 112.8 | F317 P361 | F317-K363 HydrophobicContact CE1-CG 4.44Å; F317-K363 HydrophobicContact CZ-CG 4.24Å; P361-K363 PolarHBondContact O-N 2.88Å |
| 364 | D | 66.6 | Low | 64.1 | Low | 89 Ų | 89 | 62.2 Ų | 62.2 | 48% | 0.476 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 1.1 | 177.7 | -61.1 | -55.5 | 0 | 0 | 0 | 112.9 | K311 S362 T437 | K311-D364 WeakPolarHBondContact CD-OD1 3.24Å; K311-D364 IonicContact NZ-OD1 3.28Å; S362-D364 PolarHBondContact O-N 3.18Å; S362-D364 PolarHBondContact OG-N 2.97Å; D364-T437 WeakPolarHBondContact O-CB 3.47Å; D364-T437 PolarHBondContact O-OG1 3.3Å |
| 365 | G | 78.1 | Confident | 66.1 | Low | 6 Ų | 6 | 57.9 Ų | 57.9 | 6% | 0.062 | 35% | 0.345 | C | S | . | . | trans | -85.5 | 162.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | K321 S362 I367 | K321-G365 VanDerWaalsContact CE-O 3.27Å; K321-G365 WeakPolarHBondContact CE-O 3.46Å; K321-G365 PolarHBondContact NZ-O 3.5Å; S362-G365 PolarHBondContact O-N 3.11Å; G365-I367 VanDerWaalsContact C-N 3.33Å; G365-I367 PolarHBondContact O-N 3Å | ||
| 366 | D | 91.9 | Very high | 67.8 | Low | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.011 | 33% | 0.33 | C | S | . | . | S | Bend | trans | 66 | 28.5 | 172.3 | -39 | -57.3 | 0 | 0 | 0 | 114.7 | Y204 G318 K319 P320 K321 T437 T439 | Y204-D366 HydrophobicContact CE1-CB 4.45Å; Y204-D366 WeakPolarHBondContact OH-CB 3.32Å; Y204-D366 PolarHBondContact OH-OD1 2.95Å; G318-D366 WeakPolarHBondContact CA-OD2 3.1Å; G318-D366 PolarHBondContact N-OD2 3.42Å; G318-D366 VanDerWaalsContact N-OD2 3.16Å; K319-D366 VanDerWaalsContact O-CB 3.31Å; K319-D366 WeakPolarHBondContact O-CB 3.4Å; P320-D366 CarbonylContact C-O 3.58Å; P320-D366 WeakPolarHBondContact CA-O 3.49Å; K321-D366 PolarHBondContact N-O 3.3Å; D366-T437 PolarHBondContact N-O 3.44Å; D366-T439 PolarHBondContact OD1-OG1 3.02Å |
| 367 | I | 94.3 | Very high | 69.9 | Low | 12 Ų | 12 | 51.5 Ų | 51.5 | 6% | 0.062 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 138.8 | 174.5 | -63.4 | 175.1 | 0 | 0 | 0 | 109.8 | K311 K321 F323 G365 I369 Y436 T437 | K311-I367 HydrophobicContact CG-CD1 3.91Å; K321-I367 HydrophobicContact CB-CG1 4.2Å; K321-I367 HydrophobicContact CD-CG1 4.19Å; K321-I367 WeakPolarHBondContact O-CA 3.39Å; F323-I367 HydrophobicContact CD2-CG2 3.96Å; F323-I367 HydrophobicContact CE2-CG2 3.99Å; G365-I367 VanDerWaalsContact C-N 3.33Å; G365-I367 PolarHBondContact O-N 3Å; I367-I369 HydrophobicContact CG2-CD1 4.19Å; I367-I369 HydrophobicContact CG2-CG1 3.88Å; I367-Y436 CarbonylContact O-C 3.51Å; I367-Y436 VanDerWaalsContact O-CA 3.26Å; I367-Y436 WeakPolarHBondContact O-CA 3.32Å; I367-T437 PolarHBondContact N-OG1 3.45Å; I367-T437 VanDerWaalsContact N-OG1 3.15Å; I367-T437 PolarHBondContact O-N 3.03Å |
| 368 | L | 96.5 | Very high | 71.9 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 125 | 168.2 | 175 | 66 | 0 | 0 | 0 | 108.7 | K321 L322 F323 I409 L410 L413 L438 | K321-L368 PolarHBondContact O-N 3.19Å; L322-L368 CarbonylContact C-O 3.5Å; L322-L368 WeakPolarHBondContact CA-O 3.31Å; L322-L368 HydrophobicContact CD2-CB 3.72Å; L322-L368 HydrophobicContact CD2-CD2 3.82Å; L322-L368 HydrophobicContact CD2-CG 4.37Å; F323-L368 PolarHBondContact N-O 3.15Å; L368-I409 HydrophobicContact CD2-CB 4.37Å; L368-I409 HydrophobicContact CD2-CG1 3.46Å; L368-I409 VanDerWaalsContact CD2-CG1 3.46Å; L368-I409 HydrophobicContact CD2-CG2 3.93Å; L368-L410 HydrophobicContact CD1-CD2 4.05Å; L368-L413 HydrophobicContact CD1-CD1 3.78Å; L368-L413 HydrophobicContact CD2-CD1 3.74Å; L368-L413 HydrophobicContact CG-CD1 4.14Å; L368-L438 HydrophobicContact CB-CD1 4.07Å; L368-L438 HydrophobicContact CB-CD2 4.33Å; L368-L438 HydrophobicContact CB-CG 4.16Å; L368-L438 HydrophobicContact CD2-CD1 4.19Å |
| 369 | I | 95.5 | Very high | 73.9 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 111.1 | 176.2 | -57.5 | 162.1 | 0 | 0 | 0 | 107.6 | F307 F323 I367 M371 P434 K435 | F307-I369 HydrophobicContact CD1-CD1 4.13Å; F307-I369 HydrophobicContact CD1-CG1 4.26Å; F307-I369 HydrophobicContact CD2-CD1 3.78Å; F307-I369 HydrophobicContact CE1-CD1 3.99Å; F307-I369 HydrophobicContact CE1-CG1 3.9Å; F307-I369 HydrophobicContact CE1-CG2 4.22Å; F307-I369 HydrophobicContact CE2-CD1 3.61Å; F307-I369 HydrophobicContact CE2-CG1 4.35Å; F307-I369 HydrophobicContact CE2-CG2 4.45Å; F307-I369 HydrophobicContact CG-CD1 4.05Å; F307-I369 HydrophobicContact CZ-CD1 3.72Å; F307-I369 HydrophobicContact CZ-CG1 3.95Å; F307-I369 HydrophobicContact CZ-CG2 3.74Å; F323-I369 HydrophobicContact CB-CG1 4.29Å; F323-I369 HydrophobicContact CD2-CG1 4.32Å; F323-I369 CarbonylContact O-C 3.29Å; F323-I369 WeakPolarHBondContact O-CA 3.44Å; I367-I369 HydrophobicContact CG2-CD1 4.19Å; I367-I369 HydrophobicContact CG2-CG1 3.88Å; I369-M371 HydrophobicContact CG2-CG 3.97Å; I369-M371 HydrophobicContact CG2-SD 3.74Å; I369-P434 CarbonylContact O-C 3.44Å; I369-P434 VanDerWaalsContact O-CA 3.31Å; I369-P434 WeakPolarHBondContact O-CA 3.47Å; I369-K435 HydrophobicContact CB-CB 4.45Å; I369-K435 PolarHBondContact N-O 3.5Å; I369-K435 PolarHBondContact O-N 3.48Å |
| 370 | G | 94.8 | Very high | 75.4 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 99.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | F323 F324 I325 Y389 | F323-G370 PolarHBondContact O-N 3.47Å; F324-G370 WeakPolarHBondContact CA-O 3.35Å; I325-G370 PolarHBondContact N-O 2.94Å; G370-Y389 WeakPolarHBondContact CA-OH 3.27Å; G370-Y389 PolarHBondContact O-OH 2.92Å |
| 371 | M | 92.1 | Very high | 77.3 | Confident | 10 Ų | 10 | 39.4 Ų | 39.4 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 135.2 | 171 | -61.2 | -61.6 | -65.9 | 0 | 0 | 109.5 | L303 I325 Q329 I369 T373 P432 E433 | L303-M371 HydrophobicContact CD1-CE 3.69Å; L303-M371 HydrophobicContact CD1-SD 4.27Å; I325-M371 HydrophobicContact CB-CE 4.13Å; I325-M371 HydrophobicContact CB-SD 3.62Å; I325-M371 HydrophobicContact CG1-SD 3.83Å; I325-M371 HydrophobicContact CG2-CE 3.94Å; I325-M371 HydrophobicContact CG2-SD 4.05Å; Q329-M371 HydrophobicContact CG-CE 4.05Å; I369-M371 HydrophobicContact CG2-CG 3.97Å; I369-M371 HydrophobicContact CG2-SD 3.74Å; M371-T373 PolarHBondContact O-N 3.43Å; M371-P432 CarbonylContact O-C 3.24Å; M371-P432 VanDerWaalsContact O-CA 3.29Å; M371-P432 WeakPolarHBondContact O-CA 3.3Å; M371-P432 WeakPolarHBondContact O-CB 3.1Å; M371-E433 HydrophobicContact CB-CB 4.28Å; M371-E433 WeakPolarHBondContact CB-O 3.48Å; M371-E433 PolarHBondContact N-O 3Å; M371-E433 PolarHBondContact O-N 2.84Å |
| 372 | A | 86.9 | Confident | 77.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -61.8 | -27.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I325 A379 Y389 Q430 P432 | I325-A372 WeakPolarHBondContact O-CB 3.44Å; I325-A372 PolarHBondContact O-N 2.73Å; A372-A379 HydrophobicContact CB-CB 4Å; A372-Y389 HydrophobicContact CB-CD1 3.49Å; A372-Y389 VanDerWaalsContact CB-CD1 3.49Å; A372-Y389 HydrophobicContact CB-CD2 4.29Å; A372-Y389 HydrophobicContact CB-CE1 4.14Å; A372-Y389 HydrophobicContact CB-CG 3.58Å; A372-Q430 PolarHBondContact O-NE2 3.06Å; A372-P432 WeakPolarHBondContact O-CA 3.43Å |
| 373 | T | 79.7 | Confident | 78.7 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -148.7 | 151 | -178.1 | -158.3 | 0 | 0 | 0 | 0 | 110.8 | Q329 M371 S377 K378 A379 M431 | Q329-T373 HydrophobicContact CB-CG2 4.07Å; Q329-T373 HydrophobicContact CG-CG2 4.02Å; M371-T373 PolarHBondContact O-N 3.43Å; T373-S377 VanDerWaalsContact CG2-O 3.26Å; T373-S377 WeakPolarHBondContact CG2-O 3.39Å; T373-S377 WeakPolarHBondContact OG1-CB 3.44Å; T373-K378 VanDerWaalsContact CB-O 3.32Å; T373-K378 WeakPolarHBondContact CB-O 3.4Å; T373-K378 PolarHBondContact OG1-O 2.86Å; T373-A379 HydrophobicContact CG2-CB 4.1Å; T373-M431 CarbonylContact C-O 3.52Å; T373-M431 VanDerWaalsContact CA-O 3.23Å; T373-M431 WeakPolarHBondContact CA-O 3.48Å |
| 374 | V | 73.4 | Confident | 79 | Confident | 39 Ų | 39 | 38 Ų | 38 | 24% | 0.236 | 19% | 0.191 | C | C | . | . | trans | -65.5 | 161.5 | 173.2 | -73.3 | 0 | 0 | 0 | 0 | 111.4 | S377 M431 E433 | V374-S377 WeakPolarHBondContact CG2-OG 3.45Å; V374-S377 WeakPolarHBondContact O-CB 3.41Å; V374-S377 PolarHBondContact O-N 3.35Å; V374-M431 HydrophobicContact CG1-CB 4.17Å; V374-M431 HydrophobicContact CG1-CG 4.09Å; V374-M431 WeakPolarHBondContact CG1-O 3.37Å; V374-M431 HydrophobicContact CG2-CB 4.22Å; V374-M431 PolarHBondContact N-O 3.08Å; V374-E433 HydrophobicContact CG1-CB 3.85Å; V374-E433 HydrophobicContact CG1-CG 4.22Å | ||
| 375 | P | 70.7 | Confident | 79.1 | Confident | 44 Ų | 44 | 38.4 Ų | 38.4 | 29% | 0.286 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 147.7 | 172.7 | -28.4 | 36.1 | 0 | 0 | 0 | 112.8 | S377 E433 | P375-S377 PolarHBondContact O-N 3.03Å; P375-E433 WeakPolarHBondContact CD-OE2 3.44Å |
| 376 | Y | 68.5 | Low | 79.1 | Confident | 147 Ų | 147 | 38.1 Ų | 38.1 | 58% | 0.576 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 15.8 | -179 | -44.3 | -78.1 | 0 | 0 | 0 | 114.7 | R290 Q329 E331 | R290-Y376 VanDerWaalsContact NH1-CE1 3.29Å; R290-Y376 PolarHBondContact NH1-OH 3.27Å; Q329-Y376 VanDerWaalsContact O-CA 3.27Å; Q329-Y376 WeakPolarHBondContact O-CA 3.21Å; Q329-Y376 PolarHBondContact O-N 3.29Å; E331-Y376 HydrophobicContact CG-CD1 4.17Å; E331-Y376 HydrophobicContact CG-CE1 4.16Å |
| 377 | S | 72.2 | Confident | 79 | Confident | 34 Ų | 34 | 38 Ų | 38 | 24% | 0.238 | 18% | 0.184 | C | C | . | . | trans | -123.5 | 160.5 | -179.3 | -61.7 | 0 | 0 | 0 | 0 | 112.4 | Q329 D330 T373 V374 P375 | Q329-S377 CarbonylContact C-O 3.34Å; Q329-S377 PolarHBondContact N-O 3Å; D330-S377 PolarHBondContact N-O 3.04Å; T373-S377 VanDerWaalsContact CG2-O 3.26Å; T373-S377 WeakPolarHBondContact CG2-O 3.39Å; T373-S377 WeakPolarHBondContact OG1-CB 3.44Å; V374-S377 WeakPolarHBondContact CG2-OG 3.45Å; V374-S377 WeakPolarHBondContact O-CB 3.41Å; V374-S377 PolarHBondContact O-N 3.35Å; P375-S377 PolarHBondContact O-N 3.03Å | ||
| 378 | K | 73.1 | Confident | 78.7 | Confident | 87 Ų | 87 | 37.5 Ų | 37.5 | 38% | 0.378 | 18% | 0.182 | S | C | . | . | trans | -93.4 | 157.4 | 178 | -64.5 | -174.4 | 178.4 | -172.8 | 0 | 111.1 | D85 D330 T373 Y380 | D85-K378 IonicContact OD2-NZ 3.72Å; D85-K378 PolarHBondContact OD2-NZ 2.99Å; D330-K378 WeakPolarHBondContact OD2-CE 3.35Å; T373-K378 VanDerWaalsContact CB-O 3.32Å; T373-K378 WeakPolarHBondContact CB-O 3.4Å; T373-K378 PolarHBondContact OG1-O 2.86Å; K378-Y380 HydrophobicContact CB-CE1 4.42Å | ||
| 379 | A | 75.1 | Confident | 78.5 | Confident | 14 Ų | 14 | 37.6 Ų | 37.6 | 12% | 0.116 | 18% | 0.182 | C | C | . | . | trans | -114.2 | 130.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q326 A372 T373 | Q326-A379 VanDerWaalsContact NE2-CB 3.28Å; A372-A379 HydrophobicContact CB-CB 4Å; T373-A379 HydrophobicContact CG2-CB 4.1Å | ||
| 380 | Y | 71.6 | Confident | 78.5 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | trans | -102.2 | 153.3 | -168.9 | -60.7 | -74.8 | 0 | 0 | 0 | 113.8 | D85 K378 I388 I426 N428 Q430 | D85-Y380 VanDerWaalsContact C-CD1 3.46Å; D85-Y380 HydrophobicContact CB-CD1 3.67Å; D85-Y380 HydrophobicContact CB-CE1 3.39Å; D85-Y380 WeakPolarHBondContact O-CD1 3.43Å; D85-Y380 WeakPolarHBondContact O-CE1 3.47Å; K378-Y380 HydrophobicContact CB-CE1 4.42Å; Y380-I388 PolarHBondContact O-N 2.61Å; Y380-I388 VanDerWaalsContact O-N 3.09Å; Y380-I426 HydrophobicContact CD2-CB 4.28Å; Y380-I426 HydrophobicContact CD2-CD1 4.02Å; Y380-I426 HydrophobicContact CD2-CG1 3.96Å; Y380-I426 HydrophobicContact CD2-CG2 3.54Å; Y380-I426 HydrophobicContact CE2-CG2 3.59Å; Y380-I426 HydrophobicContact CG-CG1 4.33Å; Y380-I426 HydrophobicContact CG-CG2 4.45Å; Y380-N428 VanDerWaalsContact CE2-O 3.28Å; Y380-N428 WeakPolarHBondContact CE2-O 3.37Å; Y380-N428 WeakPolarHBondContact OH-CB 3.29Å; Y380-Q430 HydrophobicContact CD2-CB 3.76Å; Y380-Q430 HydrophobicContact CD2-CG 4.26Å; Y380-Q430 HydrophobicContact CE2-CB 3.89Å | ||
| 381 | R | 76.4 | Confident | 78.4 | Confident | 48 Ų | 48 | 38.5 Ų | 38.5 | 18% | 0.181 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 143.7 | -172 | -174.5 | 171 | 77.6 | 85.2 | 31.1 | 112.1 | R230 L231 S233 S387 | R230-R381 VanDerWaalsContact C-CZ 3.44Å; R230-R381 VanDerWaalsContact C-NH2 3.26Å; R230-R381 VanDerWaalsContact CA-NH2 3.34Å; R230-R381 PolarHBondContact O-NH1 2.8Å; L231-R381 VanDerWaalsContact N-NH2 3.17Å; L231-R381 PolarHBondContact O-NH1 2.71Å; L231-R381 PolarHBondContact O-NH2 2.74Å; S233-R381 PolarHBondContact OG-NH1 3.23Å; R381-S387 VanDerWaalsContact CD-OG 3.24Å; R381-S387 WeakPolarHBondContact CD-OG 3.26Å; R381-S387 WeakPolarHBondContact CG-OG 3.38Å |
| 382 | H | 65.8 | Low | 78.6 | Confident | 26 Ų | 26 | 38.2 Ų | 38.2 | 12% | 0.12 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 137.9 | 171.4 | -165.7 | -93.4 | 0 | 0 | 0 | 110.3 | E384 K385 G386 M425 | H382-E384 PolarHBondContact ND1-N 2.9Å; H382-E384 VanDerWaalsContact ND1-N 3.19Å; H382-E384 PolarHBondContact O-N 3.35Å; H382-K385 HydrophobicContact CB-CB 3.89Å; H382-K385 PolarHBondContact ND1-N 3.15Å; H382-K385 VanDerWaalsContact ND1-N 3.12Å; H382-G386 PolarHBondContact N-O 3.36Å; H382-G386 PolarHBondContact O-N 2.87Å; H382-M425 HydrophobicContact CB-CE 3.94Å; H382-M425 WeakPolarHBondContact CD2-CE 3.38Å |
| 383 | T | 67.9 | Low | 79.1 | Confident | 51 Ų | 51 | 38.2 Ų | 38.2 | 31% | 0.313 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -23.4 | -177 | 48 | 0 | 0 | 0 | 0 | 113.9 | L231 G232 | L231-T383 CarbonylContact C-O 3.59Å; L231-T383 CarbonylContact O-C 3.59Å; L231-T383 VanDerWaalsContact O-CA 3.26Å; L231-T383 WeakPolarHBondContact O-CA 3.38Å; G232-T383 WeakPolarHBondContact CA-O 3.27Å; G232-T383 PolarHBondContact N-O 3.39Å; G232-T383 VanDerWaalsContact N-O 3.13Å |
| 384 | E | 66.9 | Low | 79.9 | Confident | 152 Ų | 152 | 38.7 Ų | 38.7 | 71% | 0.71 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -115 | -28.8 | 179.9 | -58.5 | -178.2 | 163.5 | 0 | 0 | 114 | H382 | H382-E384 PolarHBondContact ND1-N 2.9Å; H382-E384 VanDerWaalsContact ND1-N 3.19Å; H382-E384 PolarHBondContact O-N 3.35Å |
| 385 | K | 69.4 | Low | 81 | Confident | 96 Ų | 96 | 41.4 Ų | 41.4 | 42% | 0.417 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -7.7 | -170.9 | -64.5 | -177.5 | 179.1 | -178.7 | 0 | 112.8 | M235 H382 Q391 | M235-K385 VanDerWaalsContact CG-O 3.27Å; M235-K385 WeakPolarHBondContact CG-O 3.48Å; H382-K385 HydrophobicContact CB-CB 3.89Å; H382-K385 PolarHBondContact ND1-N 3.15Å; H382-K385 VanDerWaalsContact ND1-N 3.12Å; K385-Q391 PolarHBondContact O-NE2 2.83Å; K385-Q391 VanDerWaalsContact O-NE2 3.08Å |
| 386 | G | 79.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 87.8 | -166.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G232 D236 H382 Q391 | G232-G386 WeakPolarHBondContact O-CA 3.49Å; D236-G386 VanDerWaalsContact OD1-CA 3.28Å; D236-G386 WeakPolarHBondContact OD1-CA 3.22Å; H382-G386 PolarHBondContact N-O 3.36Å; H382-G386 PolarHBondContact O-N 2.87Å; G386-Q391 VanDerWaalsContact C-NE2 3.29Å; G386-Q391 PolarHBondContact O-NE2 2.84Å |
| 387 | S | 88.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 135.5 | -171.1 | -53.5 | 0 | 0 | 0 | 0 | 110.8 | D236 Q326 R381 Y389 I390 Q391 | D236-S387 PolarHBondContact OD1-N 3.19Å; D236-S387 VanDerWaalsContact OD2-CB 3.23Å; D236-S387 WeakPolarHBondContact OD2-CB 3.17Å; D236-S387 PolarHBondContact OD2-N 3.45Å; D236-S387 PolarHBondContact OD2-OG 3.43Å; Q326-S387 WeakPolarHBondContact CG-OG 3.5Å; R381-S387 VanDerWaalsContact CD-OG 3.24Å; R381-S387 WeakPolarHBondContact CD-OG 3.26Å; R381-S387 WeakPolarHBondContact CG-OG 3.38Å; S387-Y389 VanDerWaalsContact C-N 3.32Å; S387-Y389 PolarHBondContact O-N 2.97Å; S387-I390 PolarHBondContact O-N 3.43Å; S387-I390 VanDerWaalsContact O-N 3.17Å; S387-Q391 WeakPolarHBondContact O-CB 3.21Å; S387-Q391 WeakPolarHBondContact O-CG 3.41Å; S387-Q391 PolarHBondContact O-N 2.94Å |
| 388 | I | 87.9 | Confident | 84.7 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.3 | -42.8 | -174.7 | -66.6 | 164.8 | 0 | 0 | 0 | 110.4 | Y380 I390 Q391 V392 H423 M425 I426 | Y380-I388 PolarHBondContact O-N 2.61Å; Y380-I388 VanDerWaalsContact O-N 3.09Å; I388-I390 VanDerWaalsContact C-N 3.34Å; I388-I390 PolarHBondContact O-N 3.41Å; I388-Q391 PolarHBondContact O-N 2.93Å; I388-V392 HydrophobicContact CG2-CG2 4.25Å; I388-V392 WeakPolarHBondContact O-CB 3.35Å; I388-V392 VanDerWaalsContact O-CG2 3.25Å; I388-V392 WeakPolarHBondContact O-CG2 3.44Å; I388-V392 PolarHBondContact O-N 3.36Å; I388-H423 HydrophobicContact CG2-CB 3.97Å; I388-M425 HydrophobicContact CD1-CB 3.56Å; I388-M425 HydrophobicContact CD1-CG 4.43Å; I388-M425 HydrophobicContact CD1-SD 4.31Å; I388-M425 HydrophobicContact CG1-CB 4.42Å; I388-M425 HydrophobicContact CG1-SD 4.19Å; I388-I426 HydrophobicContact CB-CD1 4.3Å; I388-I426 HydrophobicContact CD1-CD1 4.03Å; I388-I426 HydrophobicContact CD1-CG1 3.56Å; I388-I426 HydrophobicContact CG2-CD1 3.82Å; I388-I426 HydrophobicContact CG2-CG1 4.36Å |
| 389 | Y | 94.1 | Very high | 85.8 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.8 | -46.8 | 174.4 | 171.6 | -111.8 | 0 | 0 | 0 | 112.1 | G370 A372 S387 V392 L393 V416 V420 P432 | G370-Y389 WeakPolarHBondContact CA-OH 3.27Å; G370-Y389 PolarHBondContact O-OH 2.92Å; A372-Y389 HydrophobicContact CB-CD1 3.49Å; A372-Y389 VanDerWaalsContact CB-CD1 3.49Å; A372-Y389 HydrophobicContact CB-CD2 4.29Å; A372-Y389 HydrophobicContact CB-CE1 4.14Å; A372-Y389 HydrophobicContact CB-CG 3.58Å; S387-Y389 VanDerWaalsContact C-N 3.32Å; S387-Y389 PolarHBondContact O-N 2.97Å; Y389-V392 PolarHBondContact O-N 2.94Å; Y389-L393 HydrophobicContact CE1-CD2 4.19Å; Y389-L393 WeakPolarHBondContact O-CB 3.35Å; Y389-L393 PolarHBondContact O-N 3.26Å; Y389-V416 HydrophobicContact CD2-CG1 4.01Å; Y389-V416 HydrophobicContact CE2-CG1 3.85Å; Y389-V420 HydrophobicContact CD2-CG2 4.4Å; Y389-P432 HydrophobicContact CD2-CB 3.92Å; Y389-P432 HydrophobicContact CD2-CG 3.9Å; Y389-P432 HydrophobicContact CE2-CB 3.83Å; Y389-P432 HydrophobicContact CE2-CG 4.25Å |
| 390 | I | 95.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.7 | -43 | -178.1 | -62 | -61.7 | 0 | 0 | 0 | 111.5 | D236 L240 L285 Q326 S387 I388 V392 L393 C394 | D236-I390 HydrophobicContact CB-CG2 3.97Å; L240-I390 HydrophobicContact CD1-CD1 4.35Å; L240-I390 HydrophobicContact CD1-CG2 3.88Å; L240-I390 HydrophobicContact CD2-CG2 4Å; L240-I390 HydrophobicContact CG-CG2 3.73Å; L285-I390 HydrophobicContact CD2-CD1 4.37Å; L285-I390 HydrophobicContact CD2-CG1 3.86Å; Q326-I390 HydrophobicContact CB-CD1 4.22Å; Q326-I390 HydrophobicContact CB-CG1 4.13Å; Q326-I390 HydrophobicContact CG-CG1 4.4Å; S387-I390 PolarHBondContact O-N 3.43Å; S387-I390 VanDerWaalsContact O-N 3.17Å; I388-I390 VanDerWaalsContact C-N 3.34Å; I388-I390 PolarHBondContact O-N 3.41Å; I390-V392 PolarHBondContact O-N 3.44Å; I390-L393 HydrophobicContact CD1-CD2 4.45Å; I390-L393 PolarHBondContact O-N 3.24Å; I390-C394 WeakPolarHBondContact O-CB 3.22Å; I390-C394 PolarHBondContact O-N 3.49Å; I390-C394 PolarHBondContact O-SG 3.41Å |
| 391 | Q | 92.6 | Very high | 87.7 | Confident | 44 Ų | 44 | 32.9 Ų | 32.9 | 21% | 0.206 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -57.8 | -50.1 | 174.9 | -72.9 | 175.7 | 64.6 | 0 | 0 | 111.3 | K385 G386 S387 I388 C394 Q395 | K385-Q391 PolarHBondContact O-NE2 2.83Å; K385-Q391 VanDerWaalsContact O-NE2 3.08Å; G386-Q391 VanDerWaalsContact C-NE2 3.29Å; G386-Q391 PolarHBondContact O-NE2 2.84Å; S387-Q391 WeakPolarHBondContact O-CB 3.21Å; S387-Q391 WeakPolarHBondContact O-CG 3.41Å; S387-Q391 PolarHBondContact O-N 2.94Å; I388-Q391 PolarHBondContact O-N 2.93Å; Q391-C394 PolarHBondContact O-N 2.86Å; Q391-Q395 WeakPolarHBondContact O-CB 3.37Å; Q391-Q395 PolarHBondContact O-N 3.19Å |
| 392 | V | 95.3 | Very high | 88.4 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.2 | -41.3 | 179.7 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | I388 Y389 I390 Q395 E396 V416 K419 V420 | I388-V392 HydrophobicContact CG2-CG2 4.25Å; I388-V392 WeakPolarHBondContact O-CB 3.35Å; I388-V392 VanDerWaalsContact O-CG2 3.25Å; I388-V392 WeakPolarHBondContact O-CG2 3.44Å; I388-V392 PolarHBondContact O-N 3.36Å; Y389-V392 PolarHBondContact O-N 2.94Å; I390-V392 PolarHBondContact O-N 3.44Å; V392-Q395 PolarHBondContact O-N 3.34Å; V392-E396 HydrophobicContact CG1-CG 4.28Å; V392-E396 WeakPolarHBondContact O-CB 3.26Å; V392-E396 WeakPolarHBondContact O-CG 3.2Å; V392-E396 PolarHBondContact O-N 3.32Å; V392-V416 HydrophobicContact CG1-CB 4.38Å; V392-V416 HydrophobicContact CG1-CG1 4.11Å; V392-V416 HydrophobicContact CG1-CG2 4.42Å; V392-K419 HydrophobicContact CG1-CB 3.47Å; V392-K419 VanDerWaalsContact CG1-CB 3.47Å; V392-K419 HydrophobicContact CG1-CD 4.11Å; V392-K419 HydrophobicContact CG1-CG 4.43Å; V392-V420 HydrophobicContact CB-CG2 3.89Å; V392-V420 HydrophobicContact CG1-CG2 3.91Å; V392-V420 HydrophobicContact CG2-CG2 4.09Å |
| 393 | L | 97.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.8 | -51.4 | 175.5 | 175.5 | 65.1 | 0 | 0 | 0 | 110.8 | F324 Y389 I390 Q395 E396 L397 L413 V416 | F324-L393 HydrophobicContact CB-CD2 4.09Å; F324-L393 HydrophobicContact CD1-CD1 4.29Å; F324-L393 HydrophobicContact CD1-CD2 3.55Å; F324-L393 HydrophobicContact CD2-CD2 4.28Å; F324-L393 HydrophobicContact CE1-CD1 3.97Å; F324-L393 HydrophobicContact CE1-CD2 4Å; F324-L393 HydrophobicContact CG-CD2 3.7Å; F324-L393 HydrophobicContact CZ-CD1 4.49Å; Y389-L393 HydrophobicContact CE1-CD2 4.19Å; Y389-L393 WeakPolarHBondContact O-CB 3.35Å; Y389-L393 PolarHBondContact O-N 3.26Å; I390-L393 HydrophobicContact CD1-CD2 4.45Å; I390-L393 PolarHBondContact O-N 3.24Å; L393-Q395 VanDerWaalsContact C-N 3.34Å; L393-Q395 PolarHBondContact O-N 3.39Å; L393-E396 PolarHBondContact O-N 2.9Å; L393-L397 HydrophobicContact CD1-CD1 3.79Å; L393-L397 HydrophobicContact CD1-CG 4.16Å; L393-L397 HydrophobicContact CG-CD1 3.84Å; L393-L397 WeakPolarHBondContact O-CB 3.41Å; L393-L397 VanDerWaalsContact O-CG 3.25Å; L393-L397 WeakPolarHBondContact O-CG 3.37Å; L393-L397 PolarHBondContact O-N 3.34Å; L393-L413 HydrophobicContact CD1-CD2 3.78Å; L393-V416 HydrophobicContact CD1-CG2 4.19Å |
| 394 | C | 97.2 | Very high | 90 | Very high | 11 Ų | 11 | 39 Ų | 39 | 7% | 0.074 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.8 | -44.6 | 179.3 | -73.3 | 0 | 0 | 0 | 0 | 111.6 | L243 I390 Q391 E398 | L243-C394 VanDerWaalsContact CD2-CA 3.5Å; L243-C394 HydrophobicContact CD2-CB 3.8Å; I390-C394 WeakPolarHBondContact O-CB 3.22Å; I390-C394 PolarHBondContact O-N 3.49Å; I390-C394 PolarHBondContact O-SG 3.41Å; Q391-C394 PolarHBondContact O-N 2.86Å; C394-E398 WeakPolarHBondContact O-CB 3.3Å; C394-E398 PolarHBondContact O-N 3.34Å |
| 395 | Q | 95.9 | Very high | 90.8 | Very high | 97 Ų | 97 | 38.4 Ų | 38.4 | 45% | 0.453 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 178.5 | -171.4 | -174.4 | 27.9 | 0 | 0 | 112.1 | Q391 V392 L393 E398 N399 | Q391-Q395 WeakPolarHBondContact O-CB 3.37Å; Q391-Q395 PolarHBondContact O-N 3.19Å; V392-Q395 PolarHBondContact O-N 3.34Å; L393-Q395 VanDerWaalsContact C-N 3.34Å; L393-Q395 PolarHBondContact O-N 3.39Å; Q395-E398 PolarHBondContact O-N 2.94Å; Q395-N399 WeakPolarHBondContact O-CB 3.28Å; Q395-N399 PolarHBondContact O-N 3.31Å; Q395-N399 PolarHBondContact O-ND2 3.15Å |
| 396 | E | 97.1 | Very high | 91.5 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 3% | 0.033 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.1 | -35.1 | -177.9 | -71.5 | -54.8 | 95.3 | 0 | 0 | 112.9 | V392 L393 N399 A400 V412 R415 V416 K419 | V392-E396 HydrophobicContact CG1-CG 4.28Å; V392-E396 WeakPolarHBondContact O-CB 3.26Å; V392-E396 WeakPolarHBondContact O-CG 3.2Å; V392-E396 PolarHBondContact O-N 3.32Å; L393-E396 PolarHBondContact O-N 2.9Å; E396-N399 PolarHBondContact O-N 3.01Å; E396-N399 PolarHBondContact OE1-ND2 2.85Å; E396-A400 VanDerWaalsContact O-CB 3.32Å; E396-A400 WeakPolarHBondContact O-CB 3.47Å; E396-A400 PolarHBondContact O-N 3.42Å; E396-V412 HydrophobicContact CB-CG1 3.82Å; E396-R415 HydrophobicContact CG-CB 4.22Å; E396-R415 WeakPolarHBondContact OE2-CB 3.44Å; E396-R415 WeakPolarHBondContact OE2-CD 3.49Å; E396-V416 HydrophobicContact CB-CG2 3.75Å; E396-V416 HydrophobicContact CG-CG2 3.96Å; E396-K419 VanDerWaalsContact CD-CE 3.49Å; E396-K419 HydrophobicContact CG-CD 3.9Å; E396-K419 WeakPolarHBondContact OE1-CE 3.47Å; E396-K419 IonicContact OE1-NZ 3.49Å; E396-K419 PolarHBondContact OE1-NZ 3.17Å; E396-K419 IonicContact OE2-NZ 3.73Å |
| 397 | L | 97 | Very high | 92 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 170.8 | -75.3 | 169.7 | 0 | 0 | 0 | 111.2 | L243 F244 F247 L393 A400 A401 I409 V412 L444 | L243-L397 HydrophobicContact CD2-CB 3.93Å; L243-L397 HydrophobicContact CD2-CD1 3.96Å; F244-L397 HydrophobicContact CZ-CD1 4.38Å; F247-L397 HydrophobicContact CE2-CB 4.02Å; F247-L397 HydrophobicContact CZ-CB 4.08Å; L393-L397 HydrophobicContact CD1-CD1 3.79Å; L393-L397 HydrophobicContact CD1-CG 4.16Å; L393-L397 HydrophobicContact CG-CD1 3.84Å; L393-L397 WeakPolarHBondContact O-CB 3.41Å; L393-L397 VanDerWaalsContact O-CG 3.25Å; L393-L397 WeakPolarHBondContact O-CG 3.37Å; L393-L397 PolarHBondContact O-N 3.34Å; L397-A400 PolarHBondContact O-N 3.36Å; L397-A401 WeakPolarHBondContact O-CB 3.27Å; L397-A401 PolarHBondContact O-N 2.89Å; L397-I409 HydrophobicContact CD2-CD1 3.58Å; L397-V412 HydrophobicContact CD2-CG1 4.01Å; L397-V412 HydrophobicContact CG-CG1 4.19Å; L397-L444 HydrophobicContact CD2-CD1 3.88Å |
| 398 | E | 96.2 | Very high | 92.4 | Very high | 64 Ų | 64 | 40.3 Ų | 40.3 | 30% | 0.299 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -64.7 | -43.4 | 176 | 174 | 158.1 | -148.2 | 0 | 0 | 112.4 | L243 R246 C394 Q395 A400 A401 N402 F446 | L243-E398 HydrophobicContact CD1-CB 4.08Å; R246-E398 IonicContact CZ-OE1 3.79Å; R246-E398 IonicContact NH1-OE1 3.77Å; R246-E398 PolarHBondContact NH1-OE1 3.4Å; R246-E398 IonicContact NH1-OE2 3.75Å; R246-E398 IonicContact NH2-OE1 3.62Å; R246-E398 PolarHBondContact NH2-OE1 3.15Å; C394-E398 WeakPolarHBondContact O-CB 3.3Å; C394-E398 PolarHBondContact O-N 3.34Å; Q395-E398 PolarHBondContact O-N 2.94Å; E398-A400 VanDerWaalsContact C-N 3.32Å; E398-A400 PolarHBondContact O-N 3.05Å; E398-A401 WeakPolarHBondContact O-CB 3.27Å; E398-A401 PolarHBondContact O-N 3.1Å; E398-N402 WeakPolarHBondContact CG-ND2 3.44Å; E398-N402 WeakPolarHBondContact O-CB 3.18Å; E398-N402 PolarHBondContact O-N 3.44Å; E398-N402 PolarHBondContact O-ND2 3.28Å; E398-N402 VanDerWaalsContact O-ND2 3.14Å; E398-F446 HydrophobicContact CB-CZ 4.23Å; E398-F446 HydrophobicContact CG-CE2 4.34Å; E398-F446 HydrophobicContact CG-CZ 3.94Å |
| 399 | N | 94.3 | Very high | 92.8 | Very high | 68 Ų | 68 | 40.4 Ų | 40.4 | 36% | 0.364 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.2 | -43.1 | 175.9 | -73.1 | -24.1 | 0 | 0 | 0 | 111.5 | Q395 E396 N402 S403 | Q395-N399 WeakPolarHBondContact O-CB 3.28Å; Q395-N399 PolarHBondContact O-N 3.31Å; Q395-N399 PolarHBondContact O-ND2 3.15Å; E396-N399 PolarHBondContact O-N 3.01Å; E396-N399 PolarHBondContact OE1-ND2 2.85Å; N399-N402 PolarHBondContact O-N 3.47Å; N399-S403 WeakPolarHBondContact O-CB 3.48Å; N399-S403 PolarHBondContact O-N 3.25Å |
| 400 | A | 94.8 | Very high | 92.9 | Very high | 6 Ų | 6 | 42.5 Ų | 42.5 | 5% | 0.05 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.2 | -40.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | E396 L397 E398 N402 S403 D407 V412 R445 | E396-A400 VanDerWaalsContact O-CB 3.32Å; E396-A400 WeakPolarHBondContact O-CB 3.47Å; E396-A400 PolarHBondContact O-N 3.42Å; L397-A400 PolarHBondContact O-N 3.36Å; E398-A400 VanDerWaalsContact C-N 3.32Å; E398-A400 PolarHBondContact O-N 3.05Å; A400-N402 PolarHBondContact O-N 3.43Å; A400-S403 PolarHBondContact O-N 3.02Å; A400-D407 HydrophobicContact CB-CB 4.18Å; A400-V412 HydrophobicContact CB-CG2 3.44Å; A400-V412 VanDerWaalsContact CB-CG2 3.44Å; A400-R445 PolarHBondContact O-NH1 3.39Å |
| 401 | A | 93.1 | Very high | 92.9 | Very high | 10 Ų | 10 | 44.8 Ų | 44.8 | 8% | 0.083 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.5 | -42.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F247 L397 E398 R445 F446 | F247-A401 HydrophobicContact CE1-CB 3.56Å; F247-A401 HydrophobicContact CZ-CB 3.94Å; L397-A401 WeakPolarHBondContact O-CB 3.27Å; L397-A401 PolarHBondContact O-N 2.89Å; E398-A401 WeakPolarHBondContact O-CB 3.27Å; E398-A401 PolarHBondContact O-N 3.1Å; A401-R445 PolarHBondContact O-NH1 3.22Å; A401-F446 HydrophobicContact CB-CD1 4.11Å; A401-F446 HydrophobicContact CB-CD2 3.79Å; A401-F446 HydrophobicContact CB-CE1 3.85Å; A401-F446 HydrophobicContact CB-CE2 3.49Å; A401-F446 VanDerWaalsContact CB-CE2 3.49Å; A401-F446 HydrophobicContact CB-CG 4.09Å; A401-F446 HydrophobicContact CB-CZ 3.55Å |
| 402 | N | 90.6 | Very high | 93.2 | Very high | 99 Ų | 99 | 42.9 Ų | 42.9 | 53% | 0.529 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -79 | -22.3 | 179.5 | -71.5 | -40.4 | 0 | 0 | 0 | 113.7 | E398 N399 A400 F446 | E398-N402 WeakPolarHBondContact CG-ND2 3.44Å; E398-N402 WeakPolarHBondContact O-CB 3.18Å; E398-N402 PolarHBondContact O-N 3.44Å; E398-N402 PolarHBondContact O-ND2 3.28Å; E398-N402 VanDerWaalsContact O-ND2 3.14Å; N399-N402 PolarHBondContact O-N 3.47Å; A400-N402 PolarHBondContact O-N 3.43Å; N402-F446 VanDerWaalsContact OD1-CE2 3.31Å; N402-F446 WeakPolarHBondContact OD1-CE2 3.41Å |
| 403 | S | 86.5 | Confident | 93.3 | Very high | 28 Ų | 28 | 42.9 Ų | 42.9 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -69.7 | 138.9 | -179.6 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | N399 A400 K405 R445 | N399-S403 WeakPolarHBondContact O-CB 3.48Å; N399-S403 PolarHBondContact O-N 3.25Å; A400-S403 PolarHBondContact O-N 3.02Å; S403-K405 PolarHBondContact O-N 3.02Å; S403-K405 WeakPolarHBondContact OG-CB 3.42Å; S403-K405 PolarHBondContact OG-N 3.27Å; S403-K405 VanDerWaalsContact OG-N 3.16Å; S403-R445 PolarHBondContact O-NH1 3.44Å |
| 404 | P | 81.7 | Confident | 93.2 | Very high | 128 Ų | 128 | 47.2 Ų | 47.2 | 83% | 0.831 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -64.3 | -19.9 | 172 | 27.5 | -34.1 | 0 | 0 | 0 | 112.1 | ||
| 405 | K | 82.2 | Confident | 93.2 | Very high | 139 Ų | 139 | 49.4 Ų | 49.4 | 60% | 0.604 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -69.6 | 134.3 | 176.2 | -57.8 | -177.3 | 177.9 | -179.2 | 0 | 110.1 | S403 D407 R445 | S403-K405 PolarHBondContact O-N 3.02Å; S403-K405 WeakPolarHBondContact OG-CB 3.42Å; S403-K405 PolarHBondContact OG-N 3.27Å; S403-K405 VanDerWaalsContact OG-N 3.16Å; K405-D407 PolarHBondContact O-N 2.77Å; K405-R445 PolarHBondContact O-NH2 2.84Å |
| 406 | R | 84.4 | Confident | 93.2 | Very high | 96 Ų | 96 | 44.8 Ų | 44.8 | 36% | 0.362 | 24% | 0.236 | S | C | . | . | trans | -80.1 | 65.3 | 173 | -69.3 | -175.6 | 83.1 | -174.6 | 6.1 | 110.3 | E198 D408 | E198-R406 IonicContact OE1-CZ 2.8Å; E198-R406 IonicContact OE1-NH1 3.64Å; E198-R406 PolarHBondContact OE1-NH1 3.46Å; E198-R406 IonicContact OE2-CZ 3.14Å; E198-R406 IonicContact OE2-NH1 2.66Å; E198-R406 PolarHBondContact OE2-NH1 3.37Å; R406-D408 PolarHBondContact O-N 3.39Å | ||
| 407 | D | 91.3 | Very high | 93 | Very high | 22 Ų | 22 | 46 Ų | 46 | 12% | 0.118 | 24% | 0.242 | C | C | . | . | trans | -68.3 | 120.2 | 177.6 | -66.7 | -39.9 | 0 | 0 | 0 | 109.7 | A400 K405 T411 V412 R415 | A400-D407 HydrophobicContact CB-CB 4.18Å; K405-D407 PolarHBondContact O-N 2.77Å; D407-T411 HydrophobicContact CB-CG2 4.33Å; D407-V412 HydrophobicContact CB-CG2 4.39Å; D407-R415 IonicContact OD1-CZ 3.81Å; D407-R415 IonicContact OD1-NH2 2.79Å; D407-R415 PolarHBondContact OD1-NH2 3.03Å; D407-R415 IonicContact OD2-CZ 3.5Å; D407-R415 IonicContact OD2-NH1 2.62Å; D407-R415 PolarHBondContact OD2-NH1 3.19Å; D407-R415 IonicContact OD2-NH2 3.69Å; D407-R415 PolarHBondContact OD2-NH2 3.33Å | ||
| 408 | D | 95 | Very high | 92.8 | Very high | 17 Ų | 17 | 53.1 Ų | 53.1 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | trans | -76.7 | 163.3 | 174.2 | 64.4 | 82.3 | 0 | 0 | 0 | 111.9 | R406 L410 T411 V412 R441 L442 V443 | R406-D408 PolarHBondContact O-N 3.39Å; D408-L410 PolarHBondContact O-N 2.81Å; D408-L410 VanDerWaalsContact O-N 3.17Å; D408-L410 WeakPolarHBondContact OD1-CB 3.41Å; D408-L410 PolarHBondContact OD1-N 3.08Å; D408-T411 WeakPolarHBondContact O-CA 3.49Å; D408-T411 VanDerWaalsContact O-CB 3.31Å; D408-T411 WeakPolarHBondContact O-CB 3.49Å; D408-T411 PolarHBondContact O-N 2.85Å; D408-T411 PolarHBondContact OD1-N 2.99Å; D408-T411 PolarHBondContact OD1-OG1 3.34Å; D408-T411 PolarHBondContact OD2-OG1 3.21Å; D408-T411 VanDerWaalsContact OD2-OG1 3.07Å; D408-V412 WeakPolarHBondContact O-CG2 3.29Å; D408-V412 PolarHBondContact O-N 2.91Å; D408-R441 HydrophobicContact CB-CB 4.21Å; D408-R441 IonicContact OD2-CZ 2.67Å; D408-R441 IonicContact OD2-NE 3.99Å; D408-R441 PolarHBondContact OD2-NE 3Å; D408-R441 IonicContact OD2-NH2 3.71Å; D408-R441 PolarHBondContact OD2-NH2 2.66Å; D408-R441 VanDerWaalsContact OD2-NH2 3.07Å; D408-L442 CarbonylContact C-O 3.1Å; D408-L442 VanDerWaalsContact CA-O 3.25Å; D408-L442 WeakPolarHBondContact CA-O 3.45Å; D408-V443 HydrophobicContact CB-CG2 4.32Å | ||
| 409 | I | 96.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.1 | -32.5 | -174.2 | -166.5 | 58.9 | 0 | 0 | 0 | 113.3 | L368 L397 V412 L413 L438 L442 L444 | L368-I409 HydrophobicContact CD2-CB 4.37Å; L368-I409 HydrophobicContact CD2-CG1 3.46Å; L368-I409 VanDerWaalsContact CD2-CG1 3.46Å; L368-I409 HydrophobicContact CD2-CG2 3.93Å; L397-I409 HydrophobicContact CD2-CD1 3.58Å; I409-V412 PolarHBondContact O-N 3.16Å; I409-L413 HydrophobicContact CG1-CD1 4.22Å; I409-L413 HydrophobicContact CG1-CG 4.44Å; I409-L413 WeakPolarHBondContact O-CB 3.43Å; I409-L413 VanDerWaalsContact O-CG 3.26Å; I409-L413 WeakPolarHBondContact O-CG 3.47Å; I409-L413 PolarHBondContact O-N 3.36Å; I409-L438 HydrophobicContact CG2-CD1 3.66Å; I409-L442 HydrophobicContact CB-CB 4.23Å; I409-L442 HydrophobicContact CB-CD2 4.35Å; I409-L442 HydrophobicContact CB-CG 4.44Å; I409-L442 HydrophobicContact CG2-CB 3.78Å; I409-L442 HydrophobicContact CG2-CD2 4.22Å; I409-L442 HydrophobicContact CG2-CG 4.39Å; I409-L442 PolarHBondContact N-O 3.15Å; I409-L444 HydrophobicContact CD1-CD1 4.27Å |
| 410 | L | 96.6 | Very high | 92.2 | Very high | 45 Ų | 45 | 50 Ų | 50 | 24% | 0.236 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -73.9 | -38.2 | 179.5 | -57.6 | -179.6 | 0 | 0 | 0 | 110.6 | L368 D408 V412 L413 T414 Y436 | L368-L410 HydrophobicContact CD1-CD2 4.05Å; D408-L410 PolarHBondContact O-N 2.81Å; D408-L410 VanDerWaalsContact O-N 3.17Å; D408-L410 WeakPolarHBondContact OD1-CB 3.41Å; D408-L410 PolarHBondContact OD1-N 3.08Å; L410-V412 VanDerWaalsContact C-N 3.31Å; L410-V412 PolarHBondContact O-N 2.56Å; L410-L413 PolarHBondContact O-N 3.31Å; L410-T414 WeakPolarHBondContact O-CB 3.32Å; L410-T414 PolarHBondContact O-N 3.39Å; L410-T414 PolarHBondContact O-OG1 2.91Å; L410-Y436 HydrophobicContact CD1-CD1 4.33Å; L410-Y436 HydrophobicContact CD1-CD2 4.04Å; L410-Y436 HydrophobicContact CD1-CE1 3.96Å; L410-Y436 HydrophobicContact CD1-CE2 3.63Å; L410-Y436 HydrophobicContact CD1-CG 4.38Å; L410-Y436 HydrophobicContact CD2-CD1 3.6Å; L410-Y436 HydrophobicContact CD2-CD2 4.29Å; L410-Y436 HydrophobicContact CD2-CE1 3.89Å; L410-Y436 HydrophobicContact CD2-CG 3.83Å |
| 411 | T | 96 | Very high | 91.8 | Very high | 50 Ų | 50 | 51.5 Ų | 51.5 | 31% | 0.307 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 169.5 | -62.7 | 0 | 0 | 0 | 0 | 110.8 | D407 D408 T414 R415 | D407-T411 HydrophobicContact CB-CG2 4.33Å; D408-T411 WeakPolarHBondContact O-CA 3.49Å; D408-T411 VanDerWaalsContact O-CB 3.31Å; D408-T411 WeakPolarHBondContact O-CB 3.49Å; D408-T411 PolarHBondContact O-N 2.85Å; D408-T411 PolarHBondContact OD1-N 2.99Å; D408-T411 PolarHBondContact OD1-OG1 3.34Å; D408-T411 PolarHBondContact OD2-OG1 3.21Å; D408-T411 VanDerWaalsContact OD2-OG1 3.07Å; T411-T414 WeakPolarHBondContact O-CB 3.47Å; T411-T414 PolarHBondContact O-N 3.19Å; T411-R415 WeakPolarHBondContact O-CG 3.48Å; T411-R415 PolarHBondContact O-N 3.18Å |
| 412 | V | 97.3 | Very high | 91.1 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.024 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.8 | -50.4 | 175.7 | 179.1 | 0 | 0 | 0 | 0 | 111 | E396 L397 A400 D407 D408 I409 L410 T414 R415 V416 | E396-V412 HydrophobicContact CB-CG1 3.82Å; L397-V412 HydrophobicContact CD2-CG1 4.01Å; L397-V412 HydrophobicContact CG-CG1 4.19Å; A400-V412 HydrophobicContact CB-CG2 3.44Å; A400-V412 VanDerWaalsContact CB-CG2 3.44Å; D407-V412 HydrophobicContact CB-CG2 4.39Å; D408-V412 WeakPolarHBondContact O-CG2 3.29Å; D408-V412 PolarHBondContact O-N 2.91Å; I409-V412 PolarHBondContact O-N 3.16Å; L410-V412 VanDerWaalsContact C-N 3.31Å; L410-V412 PolarHBondContact O-N 2.56Å; V412-T414 VanDerWaalsContact C-N 3.26Å; V412-T414 PolarHBondContact O-N 3.2Å; V412-R415 WeakPolarHBondContact O-CA 3.44Å; V412-R415 WeakPolarHBondContact O-CB 3.35Å; V412-R415 PolarHBondContact O-N 3.32Å; V412-V416 HydrophobicContact CG1-CG2 4.46Å; V412-V416 WeakPolarHBondContact O-CG2 3.45Å; V412-V416 PolarHBondContact O-N 2.9Å |
| 413 | L | 97.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.6 | -29.9 | -179.4 | -70.1 | 175.2 | 0 | 0 | 0 | 112.8 | F324 L368 L393 I409 L410 R415 V416 N417 P434 | F324-L413 HydrophobicContact CE1-CD2 4.24Å; L368-L413 HydrophobicContact CD1-CD1 3.78Å; L368-L413 HydrophobicContact CD2-CD1 3.74Å; L368-L413 HydrophobicContact CG-CD1 4.14Å; L393-L413 HydrophobicContact CD1-CD2 3.78Å; I409-L413 HydrophobicContact CG1-CD1 4.22Å; I409-L413 HydrophobicContact CG1-CG 4.44Å; I409-L413 WeakPolarHBondContact O-CB 3.43Å; I409-L413 VanDerWaalsContact O-CG 3.26Å; I409-L413 WeakPolarHBondContact O-CG 3.47Å; I409-L413 PolarHBondContact O-N 3.36Å; L410-L413 PolarHBondContact O-N 3.31Å; L413-R415 VanDerWaalsContact C-N 3.33Å; L413-R415 PolarHBondContact O-N 2.95Å; L413-V416 HydrophobicContact CD2-CG2 4.44Å; L413-V416 WeakPolarHBondContact O-CB 3.32Å; L413-V416 PolarHBondContact O-N 3.36Å; L413-N417 PolarHBondContact O-N 3.24Å; L413-N417 PolarHBondContact O-OD1 2.91Å; L413-P434 HydrophobicContact CB-CB 4.31Å; L413-P434 HydrophobicContact CB-CG 4.48Å; L413-P434 HydrophobicContact CD1-CB 3.95Å |
| 414 | T | 96.1 | Very high | 88.9 | Confident | 91 Ų | 91 | 55.7 Ų | 55.7 | 56% | 0.558 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.3 | -40.1 | 170.3 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | L410 T411 V412 N417 R418 | L410-T414 WeakPolarHBondContact O-CB 3.32Å; L410-T414 PolarHBondContact O-N 3.39Å; L410-T414 PolarHBondContact O-OG1 2.91Å; T411-T414 WeakPolarHBondContact O-CB 3.47Å; T411-T414 PolarHBondContact O-N 3.19Å; V412-T414 VanDerWaalsContact C-N 3.26Å; V412-T414 PolarHBondContact O-N 3.2Å; T414-N417 PolarHBondContact O-N 3.48Å; T414-R418 PolarHBondContact O-N 3.23Å; T414-R418 VanDerWaalsContact O-N 3.07Å |
| 415 | R | 96.4 | Very high | 87.4 | Confident | 58 Ų | 58 | 49.9 Ų | 49.9 | 22% | 0.219 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.5 | -38.1 | 173.9 | -60.9 | 174.6 | -172.7 | 162.2 | 5.9 | 111.6 | E396 D407 T411 V412 L413 R418 K419 | E396-R415 HydrophobicContact CG-CB 4.22Å; E396-R415 WeakPolarHBondContact OE2-CB 3.44Å; E396-R415 WeakPolarHBondContact OE2-CD 3.49Å; D407-R415 IonicContact OD1-CZ 3.81Å; D407-R415 IonicContact OD1-NH2 2.79Å; D407-R415 PolarHBondContact OD1-NH2 3.03Å; D407-R415 IonicContact OD2-CZ 3.5Å; D407-R415 IonicContact OD2-NH1 2.62Å; D407-R415 PolarHBondContact OD2-NH1 3.19Å; D407-R415 IonicContact OD2-NH2 3.69Å; D407-R415 PolarHBondContact OD2-NH2 3.33Å; T411-R415 WeakPolarHBondContact O-CG 3.48Å; T411-R415 PolarHBondContact O-N 3.18Å; V412-R415 WeakPolarHBondContact O-CA 3.44Å; V412-R415 WeakPolarHBondContact O-CB 3.35Å; V412-R415 PolarHBondContact O-N 3.32Å; L413-R415 VanDerWaalsContact C-N 3.33Å; L413-R415 PolarHBondContact O-N 2.95Å; R415-R418 PolarHBondContact O-N 3.28Å; R415-K419 WeakPolarHBondContact O-CB 3.34Å; R415-K419 WeakPolarHBondContact O-CG 3.39Å; R415-K419 PolarHBondContact O-N 2.9Å |
| 416 | V | 96.3 | Very high | 86.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58 | -49.9 | 172.5 | 175 | 0 | 0 | 0 | 0 | 110 | Y389 V392 L393 E396 V412 L413 R418 K419 V420 | Y389-V416 HydrophobicContact CD2-CG1 4.01Å; Y389-V416 HydrophobicContact CE2-CG1 3.85Å; V392-V416 HydrophobicContact CG1-CB 4.38Å; V392-V416 HydrophobicContact CG1-CG1 4.11Å; V392-V416 HydrophobicContact CG1-CG2 4.42Å; L393-V416 HydrophobicContact CD1-CG2 4.19Å; E396-V416 HydrophobicContact CB-CG2 3.75Å; E396-V416 HydrophobicContact CG-CG2 3.96Å; V412-V416 HydrophobicContact CG1-CG2 4.46Å; V412-V416 WeakPolarHBondContact O-CG2 3.45Å; V412-V416 PolarHBondContact O-N 2.9Å; L413-V416 HydrophobicContact CD2-CG2 4.44Å; L413-V416 WeakPolarHBondContact O-CB 3.32Å; L413-V416 PolarHBondContact O-N 3.36Å; V416-R418 VanDerWaalsContact C-N 3.33Å; V416-R418 PolarHBondContact O-N 3.05Å; V416-K419 PolarHBondContact O-N 3.2Å; V416-K419 VanDerWaalsContact O-N 3.16Å; V416-V420 HydrophobicContact CG1-CG2 4Å; V416-V420 WeakPolarHBondContact O-CB 3.22Å; V416-V420 WeakPolarHBondContact O-CG2 3.4Å; V416-V420 PolarHBondContact O-N 3.44Å |
| 417 | N | 94 | Very high | 84.4 | Confident | 32 Ų | 32 | 47.2 Ų | 47.2 | 17% | 0.171 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55 | -49.2 | 176.9 | -74.3 | 9.1 | 0 | 0 | 0 | 111.6 | L413 T414 K419 N421 M431 P432 P434 | L413-N417 PolarHBondContact O-N 3.24Å; L413-N417 PolarHBondContact O-OD1 2.91Å; T414-N417 PolarHBondContact O-N 3.48Å; N417-K419 PolarHBondContact O-N 3.26Å; N417-N421 WeakPolarHBondContact O-CB 3.49Å; N417-N421 PolarHBondContact O-N 3.21Å; N417-M431 HydrophobicContact CB-SD 4.14Å; N417-P432 PolarHBondContact ND2-O 3.49Å; N417-P432 WeakPolarHBondContact OD1-CB 3.47Å; N417-P432 PolarHBondContact OD1-O 2.67Å; N417-P434 WeakPolarHBondContact ND2-CD 3.47Å |
| 418 | R | 91.3 | Very high | 83 | Confident | 152 Ų | 152 | 51.5 Ų | 51.5 | 57% | 0.574 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -60 | -45.8 | 177.9 | -178.7 | 175.8 | 61.5 | 179 | -0.7 | 111.9 | T414 R415 V416 N422 | T414-R418 PolarHBondContact O-N 3.23Å; T414-R418 VanDerWaalsContact O-N 3.07Å; R415-R418 PolarHBondContact O-N 3.28Å; V416-R418 VanDerWaalsContact C-N 3.33Å; V416-R418 PolarHBondContact O-N 3.05Å; R418-N422 WeakPolarHBondContact O-CB 3.48Å; R418-N422 VanDerWaalsContact O-CG 3.29Å; R418-N422 PolarHBondContact O-N 2.91Å; R418-N422 PolarHBondContact O-ND2 2.79Å |
| 419 | K | 92.3 | Very high | 81.9 | Confident | 66 Ų | 66 | 58.6 Ų | 58.6 | 29% | 0.287 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -71.9 | -37.2 | -177.3 | -79.3 | -168.3 | 173.8 | -165.6 | 0 | 112.8 | V392 E396 R415 V416 N417 N422 H423 | V392-K419 HydrophobicContact CG1-CB 3.47Å; V392-K419 VanDerWaalsContact CG1-CB 3.47Å; V392-K419 HydrophobicContact CG1-CD 4.11Å; V392-K419 HydrophobicContact CG1-CG 4.43Å; E396-K419 VanDerWaalsContact CD-CE 3.49Å; E396-K419 HydrophobicContact CG-CD 3.9Å; E396-K419 WeakPolarHBondContact OE1-CE 3.47Å; E396-K419 IonicContact OE1-NZ 3.49Å; E396-K419 PolarHBondContact OE1-NZ 3.17Å; E396-K419 IonicContact OE2-NZ 3.73Å; R415-K419 WeakPolarHBondContact O-CB 3.34Å; R415-K419 WeakPolarHBondContact O-CG 3.39Å; R415-K419 PolarHBondContact O-N 2.9Å; V416-K419 PolarHBondContact O-N 3.2Å; V416-K419 VanDerWaalsContact O-N 3.16Å; N417-K419 PolarHBondContact O-N 3.26Å; K419-N422 CarbonylContact O-C 3.39Å; K419-H423 VanDerWaalsContact O-CA 3.27Å; K419-H423 WeakPolarHBondContact O-CA 3.2Å; K419-H423 VanDerWaalsContact O-CB 3.26Å; K419-H423 WeakPolarHBondContact O-CB 3.13Å; K419-H423 PolarHBondContact O-N 3.26Å |
| 420 | V | 87.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.7 | -45.3 | 175 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | Y389 V392 V416 N422 H423 I426 Q430 P432 | Y389-V420 HydrophobicContact CD2-CG2 4.4Å; V392-V420 HydrophobicContact CB-CG2 3.89Å; V392-V420 HydrophobicContact CG1-CG2 3.91Å; V392-V420 HydrophobicContact CG2-CG2 4.09Å; V416-V420 HydrophobicContact CG1-CG2 4Å; V416-V420 WeakPolarHBondContact O-CB 3.22Å; V416-V420 WeakPolarHBondContact O-CG2 3.4Å; V416-V420 PolarHBondContact O-N 3.44Å; V420-N422 VanDerWaalsContact C-N 3.26Å; V420-N422 PolarHBondContact O-N 3.25Å; V420-H423 WeakPolarHBondContact O-CB 3.48Å; V420-H423 PolarHBondContact O-N 2.96Å; V420-I426 HydrophobicContact CG1-CD1 3.85Å; V420-Q430 HydrophobicContact CG1-CB 3.96Å; V420-Q430 HydrophobicContact CG1-CG 3.79Å; V420-P432 HydrophobicContact CB-CG 3.53Å; V420-P432 HydrophobicContact CG1-CG 3.62Å; V420-P432 HydrophobicContact CG2-CG 3.76Å |
| 421 | N | 85.2 | Confident | 80.9 | Confident | 39 Ų | 39 | 59.4 Ų | 59.4 | 21% | 0.209 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.9 | -34.5 | 178.2 | 175.8 | 76.8 | 0 | 0 | 0 | 113.2 | N417 H423 Q430 M431 | N417-N421 WeakPolarHBondContact O-CB 3.49Å; N417-N421 PolarHBondContact O-N 3.21Å; N421-H423 VanDerWaalsContact C-N 3.35Å; N421-Q430 VanDerWaalsContact CA-O 3.24Å; N421-Q430 WeakPolarHBondContact CA-O 3.32Å; N421-Q430 PolarHBondContact N-O 3.26Å; N421-M431 HydrophobicContact CB-CE 3.53Å; N421-M431 HydrophobicContact CB-SD 4.23Å; N421-M431 VanDerWaalsContact CG-CE 3.42Å; N421-M431 VanDerWaalsContact OD1-CE 3.27Å; N421-M431 WeakPolarHBondContact OD1-CE 3.46Å |
| 422 | N | 78.7 | Confident | 80.7 | Confident | 88 Ų | 88 | 57.1 Ų | 57.1 | 47% | 0.471 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 15.4 | 176.2 | -56.7 | -34.6 | 0 | 0 | 0 | 111.7 | R418 K419 V420 F424 | R418-N422 WeakPolarHBondContact O-CB 3.48Å; R418-N422 VanDerWaalsContact O-CG 3.29Å; R418-N422 PolarHBondContact O-N 2.91Å; R418-N422 PolarHBondContact O-ND2 2.79Å; K419-N422 CarbonylContact O-C 3.39Å; V420-N422 VanDerWaalsContact C-N 3.26Å; V420-N422 PolarHBondContact O-N 3.25Å; N422-F424 PolarHBondContact O-N 3.07Å |
| 423 | H | 73.1 | Confident | 80.4 | Confident | 28 Ų | 28 | 59.4 Ų | 59.4 | 13% | 0.13 | 27% | 0.273 | C | S | . | . | trans | -71.7 | 119.7 | -175.8 | -155.1 | -82.5 | 0 | 0 | 0 | 109.1 | I388 K419 V420 N421 M425 I426 | I388-H423 HydrophobicContact CG2-CB 3.97Å; K419-H423 VanDerWaalsContact O-CA 3.27Å; K419-H423 WeakPolarHBondContact O-CA 3.2Å; K419-H423 VanDerWaalsContact O-CB 3.26Å; K419-H423 WeakPolarHBondContact O-CB 3.13Å; K419-H423 PolarHBondContact O-N 3.26Å; V420-H423 WeakPolarHBondContact O-CB 3.48Å; V420-H423 PolarHBondContact O-N 2.96Å; N421-H423 VanDerWaalsContact C-N 3.35Å; H423-M425 WeakPolarHBondContact CE1-CG 3.43Å; H423-M425 PolarHBondContact CE1-SD 3.29Å; H423-M425 WeakPolarHBondContact ND1-CB 3.4Å; H423-M425 WeakPolarHBondContact ND1-CG 3.31Å; H423-M425 PolarHBondContact ND1-N 2.74Å; H423-M425 PolarHBondContact O-N 3.18Å; H423-I426 HydrophobicContact CB-CD1 3.85Å; H423-I426 HydrophobicContact CB-CG1 4.01Å; H423-I426 WeakPolarHBondContact O-CB 3.49Å; H423-I426 PolarHBondContact O-N 3.39Å | ||
| 424 | F | 57.3 | Low | 80.2 | Confident | 109 Ų | 109 | 61.1 Ų | 61.1 | 48% | 0.478 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -23.4 | -174.8 | 67 | -102.8 | 0 | 0 | 0 | 113.8 | P88 A89 N422 I426 | P88-F424 HydrophobicContact CB-CD2 4.17Å; P88-F424 HydrophobicContact CB-CE2 3.45Å; P88-F424 VanDerWaalsContact CB-CE2 3.45Å; P88-F424 HydrophobicContact CB-CZ 4.43Å; A89-F424 VanDerWaalsContact C-CD2 3.49Å; A89-F424 HydrophobicContact CB-CB 3.69Å; A89-F424 HydrophobicContact CB-CD2 3.75Å; A89-F424 HydrophobicContact CB-CG 4.12Å; A89-F424 WeakPolarHBondContact O-CD2 3.43Å; A89-F424 WeakPolarHBondContact O-CE2 3.31Å; A89-F424 WeakPolarHBondContact O-CG 3.46Å; N422-F424 PolarHBondContact O-N 3.07Å; F424-I426 VanDerWaalsContact C-N 3.29Å; F424-I426 PolarHBondContact O-N 3.01Å |
| 425 | M | 50.3 | Low | 80 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -11.3 | 176.4 | -54.6 | -176 | 71.4 | 0 | 0 | 113.7 | A86 P88 H382 I388 H423 | A86-M425 CarbonylContact C-O 3.58Å; A86-M425 VanDerWaalsContact C-O 3.24Å; P88-M425 HydrophobicContact CB-CE 3.83Å; P88-M425 HydrophobicContact CB-CG 3.72Å; P88-M425 HydrophobicContact CB-SD 4.22Å; P88-M425 HydrophobicContact CG-CE 3.83Å; H382-M425 HydrophobicContact CB-CE 3.94Å; H382-M425 WeakPolarHBondContact CD2-CE 3.38Å; I388-M425 HydrophobicContact CD1-CB 3.56Å; I388-M425 HydrophobicContact CD1-CG 4.43Å; I388-M425 HydrophobicContact CD1-SD 4.31Å; I388-M425 HydrophobicContact CG1-CB 4.42Å; I388-M425 HydrophobicContact CG1-SD 4.19Å; H423-M425 WeakPolarHBondContact CE1-CG 3.43Å; H423-M425 PolarHBondContact CE1-SD 3.29Å; H423-M425 WeakPolarHBondContact ND1-CB 3.4Å; H423-M425 WeakPolarHBondContact ND1-CG 3.31Å; H423-M425 PolarHBondContact ND1-N 2.74Å; H423-M425 PolarHBondContact O-N 3.18Å |
| 426 | I | 55.3 | Low | 79.9 | Confident | 17 Ų | 17 | 64.8 Ų | 64.8 | 9% | 0.087 | 29% | 0.291 | C | S | . | . | trans | -104.5 | 102.3 | -169.4 | -63.1 | -175.5 | 0 | 0 | 0 | 109.2 | Y380 I388 V420 H423 F424 N428 Q430 | Y380-I426 HydrophobicContact CD2-CB 4.28Å; Y380-I426 HydrophobicContact CD2-CD1 4.02Å; Y380-I426 HydrophobicContact CD2-CG1 3.96Å; Y380-I426 HydrophobicContact CD2-CG2 3.54Å; Y380-I426 HydrophobicContact CE2-CG2 3.59Å; Y380-I426 HydrophobicContact CG-CG1 4.33Å; Y380-I426 HydrophobicContact CG-CG2 4.45Å; I388-I426 HydrophobicContact CB-CD1 4.3Å; I388-I426 HydrophobicContact CD1-CD1 4.03Å; I388-I426 HydrophobicContact CD1-CG1 3.56Å; I388-I426 HydrophobicContact CG2-CD1 3.82Å; I388-I426 HydrophobicContact CG2-CG1 4.36Å; V420-I426 HydrophobicContact CG1-CD1 3.85Å; H423-I426 HydrophobicContact CB-CD1 3.85Å; H423-I426 HydrophobicContact CB-CG1 4.01Å; H423-I426 WeakPolarHBondContact O-CB 3.49Å; H423-I426 PolarHBondContact O-N 3.39Å; F424-I426 VanDerWaalsContact C-N 3.29Å; F424-I426 PolarHBondContact O-N 3.01Å; I426-N428 WeakPolarHBondContact CG2-O 3.35Å; I426-Q430 HydrophobicContact CD1-CB 3.64Å; I426-Q430 HydrophobicContact CD1-CG 4.39Å; I426-Q430 HydrophobicContact CG2-CB 3.87Å | ||
| 427 | R | 49.4 | Very low | 79.7 | Confident | 162 Ų | 162 | 68 Ų | 68 | 61% | 0.611 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -67.2 | -40.2 | -179.3 | -78.1 | -178.5 | -172.1 | -175.2 | 4.8 | 113.1 | A86 | A86-R427 HydrophobicContact CB-CB 3.87Å; A86-R427 HydrophobicContact CB-CG 3.49Å; A86-R427 VanDerWaalsContact CB-CG 3.49Å |
| 428 | N | 61.5 | Low | 79.7 | Confident | 112 Ų | 112 | 67.6 Ų | 67.6 | 60% | 0.599 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -108 | 124.8 | 173.8 | -63.3 | -40.4 | 0 | 0 | 0 | 108.2 | Y380 I426 Q430 | Y380-N428 VanDerWaalsContact CE2-O 3.28Å; Y380-N428 WeakPolarHBondContact CE2-O 3.37Å; Y380-N428 WeakPolarHBondContact OH-CB 3.29Å; I426-N428 WeakPolarHBondContact CG2-O 3.35Å; N428-Q430 PolarHBondContact O-N 3.24Å; N428-Q430 VanDerWaalsContact O-N 3.14Å |
| 429 | K | 71.8 | Confident | 79.7 | Confident | 166 Ų | 166 | 65 Ų | 65 | 72% | 0.722 | 31% | 0.31 | S | S | * | . | trans | -45.6 | 120.2 | -173.2 | -65.8 | -175.1 | 177.2 | -179.1 | 0 | 112.3 | ||||
| 430 | Q | 81.3 | Confident | 79.7 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -97 | 128.3 | 166.5 | -177.4 | 179.8 | -31.4 | 0 | 0 | 107.8 | A372 Y380 V420 N421 I426 N428 | A372-Q430 PolarHBondContact O-NE2 3.06Å; Y380-Q430 HydrophobicContact CD2-CB 3.76Å; Y380-Q430 HydrophobicContact CD2-CG 4.26Å; Y380-Q430 HydrophobicContact CE2-CB 3.89Å; V420-Q430 HydrophobicContact CG1-CB 3.96Å; V420-Q430 HydrophobicContact CG1-CG 3.79Å; N421-Q430 VanDerWaalsContact CA-O 3.24Å; N421-Q430 WeakPolarHBondContact CA-O 3.32Å; N421-Q430 PolarHBondContact N-O 3.26Å; I426-Q430 HydrophobicContact CD1-CB 3.64Å; I426-Q430 HydrophobicContact CD1-CG 4.39Å; I426-Q430 HydrophobicContact CG2-CB 3.87Å; N428-Q430 PolarHBondContact O-N 3.24Å; N428-Q430 VanDerWaalsContact O-N 3.14Å | ||
| 431 | M | 91.1 | Very high | 80.1 | Confident | 66 Ų | 66 | 69.7 Ų | 69.7 | 33% | 0.325 | 33% | 0.328 | S | S | . | . | trans | -119.3 | 109.2 | 174.8 | -177 | 59 | 68.9 | 0 | 0 | 108.3 | T373 V374 N417 N421 | T373-M431 CarbonylContact C-O 3.52Å; T373-M431 VanDerWaalsContact CA-O 3.23Å; T373-M431 WeakPolarHBondContact CA-O 3.48Å; V374-M431 HydrophobicContact CG1-CB 4.17Å; V374-M431 HydrophobicContact CG1-CG 4.09Å; V374-M431 WeakPolarHBondContact CG1-O 3.37Å; V374-M431 HydrophobicContact CG2-CB 4.22Å; V374-M431 PolarHBondContact N-O 3.08Å; N417-M431 HydrophobicContact CB-SD 4.14Å; N421-M431 HydrophobicContact CB-CE 3.53Å; N421-M431 HydrophobicContact CB-SD 4.23Å; N421-M431 VanDerWaalsContact CG-CE 3.42Å; N421-M431 VanDerWaalsContact OD1-CE 3.27Å; N421-M431 WeakPolarHBondContact OD1-CE 3.46Å | ||
| 432 | P | 92.8 | Very high | 80.6 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.019 | 32% | 0.319 | C | S | . | . | trans | -63.5 | 151.8 | 169.9 | -13.7 | 26.4 | 0 | 0 | 0 | 111.2 | M371 A372 Y389 N417 V420 | M371-P432 CarbonylContact O-C 3.24Å; M371-P432 VanDerWaalsContact O-CA 3.29Å; M371-P432 WeakPolarHBondContact O-CA 3.3Å; M371-P432 WeakPolarHBondContact O-CB 3.1Å; A372-P432 WeakPolarHBondContact O-CA 3.43Å; Y389-P432 HydrophobicContact CD2-CB 3.92Å; Y389-P432 HydrophobicContact CD2-CG 3.9Å; Y389-P432 HydrophobicContact CE2-CB 3.83Å; Y389-P432 HydrophobicContact CE2-CG 4.25Å; N417-P432 PolarHBondContact ND2-O 3.49Å; N417-P432 WeakPolarHBondContact OD1-CB 3.47Å; N417-P432 PolarHBondContact OD1-O 2.67Å; V420-P432 HydrophobicContact CB-CG 3.53Å; V420-P432 HydrophobicContact CG1-CG 3.62Å; V420-P432 HydrophobicContact CG2-CG 3.76Å | ||
| 433 | E | 90.4 | Very high | 81.3 | Confident | 52 Ų | 52 | 64.6 Ų | 64.6 | 24% | 0.243 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 100 | -176 | -167.5 | -172.4 | -157.3 | 0 | 0 | 110 | M371 V374 P375 K435 | M371-E433 HydrophobicContact CB-CB 4.28Å; M371-E433 WeakPolarHBondContact CB-O 3.48Å; M371-E433 PolarHBondContact N-O 3Å; M371-E433 PolarHBondContact O-N 2.84Å; V374-E433 HydrophobicContact CG1-CB 3.85Å; V374-E433 HydrophobicContact CG1-CG 4.22Å; P375-E433 WeakPolarHBondContact CD-OE2 3.44Å; E433-K435 WeakPolarHBondContact OE1-CE 3.49Å; E433-K435 IonicContact OE1-NZ 2.6Å; E433-K435 WeakPolarHBondContact OE2-CE 2.87Å; E433-K435 IonicContact OE2-NZ 2.69Å; E433-K435 PolarHBondContact OE2-NZ 2.99Å |
| 434 | P | 92.4 | Very high | 82.4 | Confident | 37 Ų | 37 | 63.9 Ų | 63.9 | 24% | 0.24 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 129.2 | 169.4 | 31.4 | -32.5 | 0 | 0 | 0 | 111 | I369 L413 N417 | I369-P434 CarbonylContact O-C 3.44Å; I369-P434 VanDerWaalsContact O-CA 3.31Å; I369-P434 WeakPolarHBondContact O-CA 3.47Å; L413-P434 HydrophobicContact CB-CB 4.31Å; L413-P434 HydrophobicContact CB-CG 4.48Å; L413-P434 HydrophobicContact CD1-CB 3.95Å; N417-P434 WeakPolarHBondContact ND2-CD 3.47Å |
| 435 | K | 92.1 | Very high | 84 | Confident | 96 Ų | 96 | 61.7 Ų | 61.7 | 42% | 0.417 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 136.8 | 170.4 | -63.6 | 178 | -174.2 | 164.8 | 0 | 108.7 | I369 E433 | I369-K435 HydrophobicContact CB-CB 4.45Å; I369-K435 PolarHBondContact N-O 3.5Å; I369-K435 PolarHBondContact O-N 3.48Å; E433-K435 WeakPolarHBondContact OE1-CE 3.49Å; E433-K435 IonicContact OE1-NZ 2.6Å; E433-K435 WeakPolarHBondContact OE2-CE 2.87Å; E433-K435 IonicContact OE2-NZ 2.69Å; E433-K435 PolarHBondContact OE2-NZ 2.99Å |
| 436 | Y | 94.1 | Very high | 86.1 | Confident | 131 Ų | 131 | 63.4 Ų | 63.4 | 51% | 0.514 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 151.9 | -175.3 | 64.6 | -86.6 | 0 | 0 | 0 | 113.8 | I367 L410 L438 | I367-Y436 CarbonylContact O-C 3.51Å; I367-Y436 VanDerWaalsContact O-CA 3.26Å; I367-Y436 WeakPolarHBondContact O-CA 3.32Å; L410-Y436 HydrophobicContact CD1-CD1 4.33Å; L410-Y436 HydrophobicContact CD1-CD2 4.04Å; L410-Y436 HydrophobicContact CD1-CE1 3.96Å; L410-Y436 HydrophobicContact CD1-CE2 3.63Å; L410-Y436 HydrophobicContact CD1-CG 4.38Å; L410-Y436 HydrophobicContact CD2-CD1 3.6Å; L410-Y436 HydrophobicContact CD2-CD2 4.29Å; L410-Y436 HydrophobicContact CD2-CE1 3.89Å; L410-Y436 HydrophobicContact CD2-CG 3.83Å; Y436-L438 HydrophobicContact CD2-CB 4.41Å |
| 437 | T | 93.5 | Very high | 87.7 | Confident | 67 Ų | 67 | 65.3 Ų | 65.3 | 41% | 0.411 | 31% | 0.307 | S | S | . | . | trans | -127.7 | 22.3 | 167.8 | 59.7 | 0 | 0 | 0 | 0 | 110.5 | D364 D366 I367 T439 | D364-T437 WeakPolarHBondContact O-CB 3.47Å; D364-T437 PolarHBondContact O-OG1 3.3Å; D366-T437 PolarHBondContact N-O 3.44Å; I367-T437 PolarHBondContact N-OG1 3.45Å; I367-T437 VanDerWaalsContact N-OG1 3.15Å; I367-T437 PolarHBondContact O-N 3.03Å; T437-T439 PolarHBondContact O-N 3.27Å | ||
| 438 | L | 93.1 | Very high | 88.8 | Confident | 23 Ų | 23 | 66.2 Ų | 66.2 | 12% | 0.12 | 32% | 0.318 | C | S | . | . | trans | -55.8 | 133.2 | 172.3 | -65.1 | -180 | 0 | 0 | 0 | 110.4 | Y204 P320 L368 I409 Y436 | Y204-L438 HydrophobicContact CE2-CB 4.33Å; Y204-L438 HydrophobicContact CE2-CD2 4Å; P320-L438 HydrophobicContact CB-CD2 4.09Å; L368-L438 HydrophobicContact CB-CD1 4.07Å; L368-L438 HydrophobicContact CB-CD2 4.33Å; L368-L438 HydrophobicContact CB-CG 4.16Å; L368-L438 HydrophobicContact CD2-CD1 4.19Å; I409-L438 HydrophobicContact CG2-CD1 3.66Å; Y436-L438 HydrophobicContact CD2-CB 4.41Å | ||
| 439 | T | 91.4 | Very high | 88.4 | Confident | 99 Ų | 99 | 69 Ų | 69 | 61% | 0.607 | 33% | 0.332 | S | S | * | . | trans | -101 | -16 | -177.5 | 59.6 | 0 | 0 | 0 | 0 | 112.8 | Y204 D366 T437 | Y204-T439 PolarHBondContact OH-N 3.34Å; Y204-T439 PolarHBondContact OH-OG1 3.5Å; D366-T439 PolarHBondContact OD1-OG1 3.02Å; T437-T439 PolarHBondContact O-N 3.27Å | ||
| 440 | K | 92.1 | Very high | 87 | Confident | 72 Ų | 72 | 66.5 Ų | 66.5 | 31% | 0.313 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -132 | 164.9 | 177.1 | -56.3 | -173.3 | -174.8 | -163 | 0 | 111.2 | D201 Y204 L442 | D201-K440 WeakPolarHBondContact O-CD 3.39Å; D201-K440 WeakPolarHBondContact OD1-CE 3.35Å; D201-K440 IonicContact OD1-NZ 3.32Å; D201-K440 PolarHBondContact OD1-NZ 3.04Å; Y204-K440 HydrophobicContact CD1-CB 4.25Å; Y204-K440 HydrophobicContact CD1-CD 4.37Å; Y204-K440 HydrophobicContact CD2-CB 3.71Å; Y204-K440 HydrophobicContact CE1-CB 4.21Å; Y204-K440 HydrophobicContact CE1-CG 4.39Å; Y204-K440 HydrophobicContact CE2-CB 3.68Å; Y204-K440 WeakPolarHBondContact CE2-O 3.4Å; Y204-K440 HydrophobicContact CG-CB 4.01Å; K440-L442 PolarHBondContact O-N 3.17Å |
| 441 | R | 94.6 | Very high | 85 | Confident | 92 Ų | 92 | 69.9 Ų | 69.9 | 35% | 0.347 | 37% | 0.37 | S | S | . | . | B | Isolated β-bridge | trans | -73.3 | 125.8 | 174 | -63.7 | -180 | 71.5 | -162.2 | -3.4 | 109.7 | E202 F203 Y204 D408 | E202-R441 HydrophobicContact CG-CG 4.39Å; E202-R441 WeakPolarHBondContact O-CB 3.35Å; E202-R441 PolarHBondContact O-N 2.85Å; E202-R441 WeakPolarHBondContact OE1-CD 3.48Å; E202-R441 IonicContact OE1-CZ 3.4Å; E202-R441 IonicContact OE1-NE 3.54Å; E202-R441 IonicContact OE1-NH1 2.88Å; E202-R441 PolarHBondContact OE1-NH1 2.68Å; F203-R441 VanDerWaalsContact CA-O 3.28Å; F203-R441 WeakPolarHBondContact CA-O 3.35Å; F203-R441 HydrophobicContact CD1-CB 3.59Å; F203-R441 HydrophobicContact CE1-CB 3.7Å; F203-R441 HydrophobicContact CG-CB 4.36Å; Y204-R441 PolarHBondContact N-O 3.33Å; D408-R441 HydrophobicContact CB-CB 4.21Å; D408-R441 IonicContact OD2-CZ 2.67Å; D408-R441 IonicContact OD2-NE 3.99Å; D408-R441 PolarHBondContact OD2-NE 3Å; D408-R441 IonicContact OD2-NH2 3.71Å; D408-R441 PolarHBondContact OD2-NH2 2.66Å; D408-R441 VanDerWaalsContact OD2-NH2 3.07Å |
| 442 | L | 95.8 | Very high | 82.1 | Confident | 3 Ų | 3 | 72.8 Ų | 72.8 | 2% | 0.016 | 39% | 0.392 | C | S | . | . | trans | -101.2 | 118.9 | 176.8 | 179.4 | 62.3 | 0 | 0 | 0 | 109.8 | Y204 L206 P320 L322 D408 I409 K440 | Y204-L442 HydrophobicContact CD2-CB 3.92Å; Y204-L442 HydrophobicContact CD2-CD1 4.23Å; L206-L442 HydrophobicContact CD1-CD1 3.86Å; L206-L442 HydrophobicContact CD2-CD1 4.3Å; L206-L442 HydrophobicContact CG-CD1 4.29Å; P320-L442 HydrophobicContact CB-CD1 4.42Å; P320-L442 HydrophobicContact CB-CD2 4.01Å; P320-L442 HydrophobicContact CG-CD1 3.97Å; P320-L442 HydrophobicContact CG-CD2 4.36Å; L322-L442 HydrophobicContact CD1-CD2 3.82Å; L322-L442 HydrophobicContact CD2-CD2 3.63Å; L322-L442 HydrophobicContact CG-CD2 4.28Å; D408-L442 CarbonylContact C-O 3.1Å; D408-L442 VanDerWaalsContact CA-O 3.25Å; D408-L442 WeakPolarHBondContact CA-O 3.45Å; I409-L442 HydrophobicContact CB-CB 4.23Å; I409-L442 HydrophobicContact CB-CD2 4.35Å; I409-L442 HydrophobicContact CB-CG 4.44Å; I409-L442 HydrophobicContact CG2-CB 3.78Å; I409-L442 HydrophobicContact CG2-CD2 4.22Å; I409-L442 HydrophobicContact CG2-CG 4.39Å; I409-L442 PolarHBondContact N-O 3.15Å; K440-L442 PolarHBondContact O-N 3.17Å | ||
| 443 | V | 95.2 | Very high | 79.3 | Confident | 17 Ų | 17 | 78.5 Ų | 78.5 | 10% | 0.103 | 43% | 0.426 | C | S | . | . | trans | -117.6 | 119.5 | 176 | -179.9 | 0 | 0 | 0 | 0 | 108.8 | F203 D408 R445 | F203-V443 HydrophobicContact CD1-CG2 3.82Å; F203-V443 HydrophobicContact CE1-CG2 3.76Å; D408-V443 HydrophobicContact CB-CG2 4.32Å; V443-R445 HydrophobicContact CG1-CG 4.17Å | ||
| 444 | L | 94.8 | Very high | 76.5 | Confident | 12 Ų | 12 | 80.6 Ų | 80.6 | 6% | 0.063 | 44% | 0.444 | C | S | . | . | trans | -94.3 | 122 | 176.8 | -64.9 | 173.1 | 0 | 0 | 0 | 109.9 | L206 F247 F249 L397 I409 | L206-L444 HydrophobicContact CD1-CD2 3.72Å; F247-L444 HydrophobicContact CD1-CB 3.96Å; F247-L444 HydrophobicContact CE1-CB 3.74Å; F247-L444 HydrophobicContact CE2-CB 4.42Å; F247-L444 HydrophobicContact CG-CB 4.42Å; F247-L444 HydrophobicContact CZ-CB 4Å; F249-L444 HydrophobicContact CE2-CD2 4.18Å; F249-L444 HydrophobicContact CZ-CD2 4.47Å; L397-L444 HydrophobicContact CD2-CD1 3.88Å; I409-L444 HydrophobicContact CD1-CD1 4.27Å | ||
| 445 | R | 92.2 | Very high | 74 | Confident | 64 Ų | 64 | 85.3 Ų | 85.3 | 24% | 0.242 | 47% | 0.472 | C | S | . | . | trans | -122.3 | 147.4 | 179.1 | -67.5 | -63.6 | -165.9 | 178.5 | -0.5 | 110.7 | R211 F247 A400 A401 S403 K405 V443 | R211-R445 PolarHBondContact NH1-O 3.03Å; R211-R445 PolarHBondContact NH2-O 3Å; F247-R445 WeakPolarHBondContact CD1-O 3.49Å; A400-R445 PolarHBondContact O-NH1 3.39Å; A401-R445 PolarHBondContact O-NH1 3.22Å; S403-R445 PolarHBondContact O-NH1 3.44Å; K405-R445 PolarHBondContact O-NH2 2.84Å; V443-R445 HydrophobicContact CG1-CG 4.17Å | ||
| 446 | F | 93.6 | Very high | 71.9 | Confident | 41 Ų | 41 | 94.4 Ų | 94.4 | 18% | 0.18 | 51% | 0.506 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 143.6 | 171.3 | -62.8 | -41.4 | 0 | 0 | 0 | 111.1 | L243 R246 F247 E398 A401 N402 | L243-F446 HydrophobicContact CD1-CE1 3.95Å; L243-F446 HydrophobicContact CD1-CZ 4.22Å; R246-F446 HydrophobicContact CB-CD1 3.56Å; R246-F446 HydrophobicContact CB-CE1 3.78Å; R246-F446 HydrophobicContact CB-CG 4.42Å; R246-F446 VanDerWaalsContact NH2-CZ 3.3Å; R246-F446 WeakPolarHBondContact O-CA 3.18Å; F247-F446 AromaticContact CD1-CD1 3.71Å; F247-F446 HydrophobicContact CD1-CD1 3.71Å; F247-F446 AromaticContact CD1-CE1 3.94Å; F247-F446 HydrophobicContact CD1-CE1 3.94Å; F247-F446 AromaticContact CE1-CD1 3.71Å; F247-F446 HydrophobicContact CE1-CD1 3.71Å; F247-F446 AromaticContact CE1-CE1 3.6Å; F247-F446 HydrophobicContact CE1-CE1 3.6Å; F247-F446 HydrophobicContact CE1-CZ 4.46Å; F247-F446 HydrophobicContact CE2-CE1 4.45Å; F247-F446 HydrophobicContact CG-CD1 4.43Å; F247-F446 HydrophobicContact CG-CE1 4.49Å; F247-F446 HydrophobicContact CZ-CD1 4.43Å; F247-F446 AromaticContact CZ-CE1 3.87Å; F247-F446 HydrophobicContact CZ-CE1 3.87Å; E398-F446 HydrophobicContact CB-CZ 4.23Å; E398-F446 HydrophobicContact CG-CE2 4.34Å; E398-F446 HydrophobicContact CG-CZ 3.94Å; A401-F446 HydrophobicContact CB-CD1 4.11Å; A401-F446 HydrophobicContact CB-CD2 3.79Å; A401-F446 HydrophobicContact CB-CE1 3.85Å; A401-F446 HydrophobicContact CB-CE2 3.49Å; A401-F446 VanDerWaalsContact CB-CE2 3.49Å; A401-F446 HydrophobicContact CB-CG 4.09Å; A401-F446 HydrophobicContact CB-CZ 3.55Å; N402-F446 VanDerWaalsContact OD1-CE2 3.31Å; N402-F446 WeakPolarHBondContact OD1-CE2 3.41Å |
| 447 | V | 89.8 | Confident | 70.8 | Confident | 57 Ų | 57 | 92.6 Ų | 92.6 | 35% | 0.345 | 51% | 0.506 | S | S | . | . | P | Polyproline II helix | trans | -77.6 | 128.1 | 171.5 | -175.6 | 0 | 0 | 0 | 0 | 107.2 | R246 L449 | R246-V447 PolarHBondContact O-N 3.31Å; V447-L449 PolarHBondContact O-N 3.13Å; V447-L449 VanDerWaalsContact O-N 3.16Å |
| 448 | E | 72.3 | Confident | 69.6 | Low | 180 Ų | 180 | 93.9 Ų | 93.9 | 84% | 0.841 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 116.7 | 171.6 | -67.2 | -175.1 | 173.6 | 0 | 0 | 108.3 | S450 | E448-S450 PolarHBondContact O-N 3.38Š|
| 449 | L | 52.9 | Low | 68.2 | Low | 171 Ų | 171 | 97.9 Ų | 97.9 | 90% | 0.895 | 53% | 0.532 | S | S | * | . | trans | -65 | 107.5 | 169.1 | -69.8 | 168.6 | 0 | 0 | 0 | 106.3 | V447 G451 | V447-L449 PolarHBondContact O-N 3.13Å; V447-L449 VanDerWaalsContact O-N 3.16Å; L449-G451 PolarHBondContact O-N 2.8Å | ||
| 450 | S | 42.8 | Very low | 66.9 | Low | 114 Ų | 114 | 97.8 Ų | 97.8 | 80% | 0.797 | 53% | 0.528 | S | S | * | . | trans | -64.9 | 79.3 | 172.3 | 56.3 | 0 | 0 | 0 | 0 | 109.5 | E448 T452 | E448-S450 PolarHBondContact O-N 3.38Å; S450-T452 VanDerWaalsContact C-N 3.33Å; S450-T452 PolarHBondContact O-N 3.03Å | ||
| 451 | G | 37.5 | Very low | 65.3 | Low | 70 Ų | 70 | 99.4 Ų | 99.4 | 72% | 0.722 | 54% | 0.542 | S | S | * | . | trans | -87.4 | 69.1 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | L449 V453 | L449-G451 PolarHBondContact O-N 2.8Å; G451-V453 PolarHBondContact O-N 3.17Å | ||
| 452 | T | 31.9 | Very low | 63.4 | Low | 128 Ų | 128 | 99.9 Ų | 99.9 | 79% | 0.785 | 55% | 0.554 | S | S | * | * | trans | -82 | 96.2 | 155.9 | 44.9 | 0 | 0 | 0 | 0 | 107.4 | S450 P454 | S450-T452 VanDerWaalsContact C-N 3.33Å; S450-T452 PolarHBondContact O-N 3.03Å; T452-P454 WeakPolarHBondContact O-CD 3.44Å | ||
| 453 | V | 32 | Very low | 61 | Low | 123 Ų | 123 | 106.9 Ų | 106.9 | 75% | 0.745 | 59% | 0.593 | S | S | * | * | trans | -76.1 | 113.7 | 153.3 | -178.4 | 0 | 0 | 0 | 0 | 105.2 | G451 T455 | G451-V453 PolarHBondContact O-N 3.17Å; V453-T455 PolarHBondContact O-N 3.27Å; V453-T455 VanDerWaalsContact O-N 3.1Å | ||
| 454 | P | 33.6 | Very low | 58.4 | Low | 95 Ų | 95 | 113.8 Ų | 113.8 | 62% | 0.617 | 63% | 0.631 | S | S | * | * | trans | -70.8 | 109.4 | 171.5 | 20.5 | -12.9 | 0 | 0 | 0 | 107 | T452 Y456 | T452-P454 WeakPolarHBondContact O-CD 3.44Å; P454-Y456 HydrophobicContact CB-CD2 4.16Å; P454-Y456 HydrophobicContact CB-CE2 4.04Å; P454-Y456 PolarHBondContact O-N 2.89Å | ||
| 455 | T | 38.7 | Very low | 55.4 | Low | 137 Ų | 137 | 122.3 Ų | 122.3 | 84% | 0.84 | 68% | 0.678 | S | S | * | * | trans | -69 | 104.7 | 159.7 | 48.8 | 0 | 0 | 0 | 0 | 106.9 | V453 | V453-T455 PolarHBondContact O-N 3.27Å; V453-T455 VanDerWaalsContact O-N 3.1Å | ||
| 456 | Y | 47.4 | Very low | 52 | Low | 287 Ų | 287 | 127.5 Ų | 127.5 | 100% | 1.125 | 72% | 0.718 | S | S | * | * | trans | -91.8 | 0 | 158.3 | -81.2 | -75.8 | 0 | 0 | 0 | 109.5 | P454 | P454-Y456 HydrophobicContact CB-CD2 4.16Å; P454-Y456 HydrophobicContact CB-CE2 4.04Å; P454-Y456 PolarHBondContact O-N 2.89Å |
Retrieved 456 of 456 residues in 343 ms
(Link to these results)