| 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 | 57.7 | Low | 87.9 | Confident | 205 Ų | 205 | 93.9 Ų | 93.9 | 100% | 1.01 | 53% | 0.525 | S | S | * | . | 0 | -40.8 | 0 | -72.3 | 174.2 | 82.5 | 0 | 0 | 111.4 | D3 M4 H5 | M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 PolarHBondContact O-N 2.91Å; M1-M4 PolarHBondContact O-N 3.13Å; M1-H5 PolarHBondContact O-N 3.19Å; M1-H5 VanDerWaalsContact O-N 3.13Å | |||
| 2 | S | 71.6 | Confident | 88.6 | Confident | 82 Ų | 82 | 91.6 Ų | 91.6 | 57% | 0.573 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -53.3 | -38.5 | 170.3 | 45.2 | 0 | 0 | 0 | 0 | 113.7 | H5 S6 | S2-H5 PolarHBondContact O-N 3.44Å; S2-S6 WeakPolarHBondContact O-CB 3.38Å; S2-S6 PolarHBondContact O-N 3.45Å; S2-S6 PolarHBondContact O-OG 3.16Å |
| 3 | D | 86.1 | Confident | 89.2 | Confident | 114 Ų | 114 | 84.6 Ų | 84.6 | 61% | 0.61 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -68.1 | -45.1 | -179.3 | -47.5 | -62.5 | 0 | 0 | 0 | 111.7 | M1 H5 S6 L7 | M1-D3 VanDerWaalsContact C-N 3.26Å; M1-D3 PolarHBondContact O-N 2.91Å; D3-H5 VanDerWaalsContact C-N 3.32Å; D3-H5 PolarHBondContact O-N 2.79Å; D3-S6 PolarHBondContact O-N 3.34Å; D3-L7 WeakPolarHBondContact O-CB 3.49Å; D3-L7 VanDerWaalsContact O-CG 3.32Å; D3-L7 WeakPolarHBondContact O-CG 3.43Å; D3-L7 PolarHBondContact O-N 3.41Å |
| 4 | M | 91.4 | Very high | 89.8 | Confident | 138 Ų | 138 | 80.2 Ų | 80.2 | 68% | 0.68 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62.7 | -41.5 | 177.6 | -171.9 | 63.2 | 70.8 | 0 | 0 | 111.5 | M1 L7 L8 | M1-M4 PolarHBondContact O-N 3.13Å; M4-L7 PolarHBondContact O-N 3.47Å; M4-L8 WeakPolarHBondContact O-CB 3.44Å; M4-L8 PolarHBondContact O-N 2.78Å |
| 5 | H | 91.2 | Very high | 90.2 | Very high | 110 Ų | 110 | 80.9 Ų | 80.9 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 174.3 | -175.8 | -102.7 | 0 | 0 | 0 | 111.3 | M1 S2 D3 L7 L8 I9 | M1-H5 PolarHBondContact O-N 3.19Å; M1-H5 VanDerWaalsContact O-N 3.13Å; S2-H5 PolarHBondContact O-N 3.44Å; D3-H5 VanDerWaalsContact C-N 3.32Å; D3-H5 PolarHBondContact O-N 2.79Å; H5-L7 PolarHBondContact O-N 2.63Å; H5-L8 PolarHBondContact O-N 2.95Å; H5-I9 WeakPolarHBondContact O-CG1 3.49Å; H5-I9 PolarHBondContact O-N 3.47Å |
| 6 | S | 91.5 | Very high | 90.6 | Very high | 64 Ų | 64 | 77.5 Ų | 77.5 | 45% | 0.448 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.2 | -38.8 | 179.1 | -54.3 | 0 | 0 | 0 | 0 | 112.5 | S2 D3 L8 I9 A10 | S2-S6 WeakPolarHBondContact O-CB 3.38Å; S2-S6 PolarHBondContact O-N 3.45Å; S2-S6 PolarHBondContact O-OG 3.16Å; D3-S6 PolarHBondContact O-N 3.34Å; S6-L8 VanDerWaalsContact C-N 3.34Å; S6-I9 PolarHBondContact O-N 3.13Å; S6-A10 WeakPolarHBondContact O-CB 3.44Å; S6-A10 PolarHBondContact O-N 3.34Å |
| 7 | L | 94.2 | Very high | 90.9 | Very high | 115 Ų | 115 | 73.1 Ų | 73.1 | 60% | 0.602 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -64 | -39.9 | 174.1 | -73.7 | 173.6 | 0 | 0 | 0 | 111.8 | D3 M4 H5 A10 A11 | D3-L7 WeakPolarHBondContact O-CB 3.49Å; D3-L7 VanDerWaalsContact O-CG 3.32Å; D3-L7 WeakPolarHBondContact O-CG 3.43Å; D3-L7 PolarHBondContact O-N 3.41Å; M4-L7 PolarHBondContact O-N 3.47Å; H5-L7 PolarHBondContact O-N 2.63Å; L7-A10 PolarHBondContact O-N 3.33Å; L7-A11 WeakPolarHBondContact O-CB 3.49Å; L7-A11 PolarHBondContact O-N 3.15Å |
| 8 | L | 95.6 | Very high | 91 | Very high | 104 Ų | 104 | 71.2 Ų | 71.2 | 55% | 0.545 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 175.2 | -177.4 | 63.1 | 0 | 0 | 0 | 111.2 | M4 H5 S6 A10 A11 I12 | M4-L8 WeakPolarHBondContact O-CB 3.44Å; M4-L8 PolarHBondContact O-N 2.78Å; H5-L8 PolarHBondContact O-N 2.95Å; S6-L8 VanDerWaalsContact C-N 3.34Å; L8-A10 VanDerWaalsContact C-N 3.35Å; L8-A10 PolarHBondContact O-N 3.36Å; L8-A11 PolarHBondContact O-N 3.06Å; L8-I12 HydrophobicContact CD1-CD1 4.25Å; L8-I12 HydrophobicContact CD1-CG1 4.49Å; L8-I12 HydrophobicContact CG-CD1 4Å; L8-I12 VanDerWaalsContact O-CG1 3.28Å; L8-I12 WeakPolarHBondContact O-CG1 3.41Å; L8-I12 PolarHBondContact O-N 3Å |
| 9 | I | 95.7 | Very high | 91.2 | Very high | 10 Ų | 10 | 73.5 Ų | 73.5 | 5% | 0.051 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -58.1 | -48.7 | 173.6 | -65.6 | 176.7 | 0 | 0 | 0 | 110.3 | H5 S6 A11 I12 L13 L38 F40 | H5-I9 WeakPolarHBondContact O-CG1 3.49Å; H5-I9 PolarHBondContact O-N 3.47Å; S6-I9 PolarHBondContact O-N 3.13Å; I9-A11 VanDerWaalsContact C-N 3.29Å; I9-A11 PolarHBondContact O-N 3.32Å; I9-I12 PolarHBondContact O-N 3.27Å; I9-L13 HydrophobicContact CG2-CD1 3.67Å; I9-L13 HydrophobicContact CG2-CG 4.08Å; I9-L13 WeakPolarHBondContact O-CB 3.47Å; I9-L13 WeakPolarHBondContact O-CG 3.49Å; I9-L13 PolarHBondContact O-N 3.27Å; I9-L38 HydrophobicContact CD1-CB 4.38Å; I9-L38 HydrophobicContact CG1-CB 4.33Å; I9-L38 HydrophobicContact CG1-CD1 4.3Å; I9-L38 HydrophobicContact CG2-CD1 4.13Å; I9-F40 HydrophobicContact CD1-CB 4.17Å; I9-F40 HydrophobicContact CG2-CB 3.87Å; I9-F40 HydrophobicContact CG2-CD1 4.08Å; I9-F40 HydrophobicContact CG2-CD2 4.39Å; I9-F40 HydrophobicContact CG2-CG 3.87Å |
| 10 | A | 95.4 | Very high | 91.3 | Very high | 32 Ų | 32 | 70.6 Ų | 70.6 | 26% | 0.264 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.9 | -39.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | S6 L7 L8 G14 F48 | S6-A10 WeakPolarHBondContact O-CB 3.44Å; S6-A10 PolarHBondContact O-N 3.34Å; L7-A10 PolarHBondContact O-N 3.33Å; L8-A10 VanDerWaalsContact C-N 3.35Å; L8-A10 PolarHBondContact O-N 3.36Å; A10-G14 PolarHBondContact O-N 2.88Å; A10-F48 HydrophobicContact CB-CE2 3.73Å; A10-F48 HydrophobicContact CB-CZ 3.89Å |
| 11 | A | 96.3 | Very high | 91.3 | Very high | 59 Ų | 59 | 69.1 Ų | 69.1 | 49% | 0.488 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L7 L8 I9 G14 V15 | L7-A11 WeakPolarHBondContact O-CB 3.49Å; L7-A11 PolarHBondContact O-N 3.15Å; L8-A11 PolarHBondContact O-N 3.06Å; I9-A11 VanDerWaalsContact C-N 3.29Å; I9-A11 PolarHBondContact O-N 3.32Å; A11-G14 PolarHBondContact O-N 3.35Å; A11-V15 WeakPolarHBondContact O-CG2 3.29Å; A11-V15 PolarHBondContact O-N 2.8Å |
| 12 | I | 97.2 | Very high | 92.8 | Very high | 66 Ų | 66 | 62 Ų | 62 | 34% | 0.338 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.6 | -50 | 177.7 | -67.5 | 166.4 | 0 | 0 | 0 | 110.3 | L8 I9 G14 V15 V16 V34 L38 | L8-I12 HydrophobicContact CD1-CD1 4.25Å; L8-I12 HydrophobicContact CD1-CG1 4.49Å; L8-I12 HydrophobicContact CG-CD1 4Å; L8-I12 VanDerWaalsContact O-CG1 3.28Å; L8-I12 WeakPolarHBondContact O-CG1 3.41Å; L8-I12 PolarHBondContact O-N 3Å; I9-I12 PolarHBondContact O-N 3.27Å; I12-G14 VanDerWaalsContact C-N 3.32Å; I12-G14 PolarHBondContact O-N 3.28Å; I12-V15 PolarHBondContact O-N 2.91Å; I12-V16 WeakPolarHBondContact O-CG2 3.32Å; I12-V16 PolarHBondContact O-N 3.31Å; I12-V34 HydrophobicContact CG2-CG1 4.12Å; I12-L38 HydrophobicContact CB-CD1 4.42Å; I12-L38 HydrophobicContact CD1-CD1 4.41Å; I12-L38 HydrophobicContact CG2-CD1 4.09Å |
| 13 | L | 96.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.2 | -35.8 | 179.3 | -67.4 | -179.9 | 0 | 0 | 0 | 112.2 | I9 V16 E17 M31 V34 F40 F48 | I9-L13 HydrophobicContact CG2-CD1 3.67Å; I9-L13 HydrophobicContact CG2-CG 4.08Å; I9-L13 WeakPolarHBondContact O-CB 3.47Å; I9-L13 WeakPolarHBondContact O-CG 3.49Å; I9-L13 PolarHBondContact O-N 3.27Å; L13-V16 PolarHBondContact O-N 2.67Å; L13-E17 WeakPolarHBondContact O-CB 3.49Å; L13-E17 PolarHBondContact O-N 3.16Å; L13-M31 HydrophobicContact CB-SD 4.05Å; L13-M31 HydrophobicContact CD2-CG 4.23Å; L13-V34 HydrophobicContact CD2-CB 3.96Å; L13-V34 HydrophobicContact CD2-CG1 3.7Å; L13-F40 HydrophobicContact CD1-CD1 3.53Å; L13-F40 HydrophobicContact CD1-CE1 3.86Å; L13-F40 HydrophobicContact CD1-CG 4.49Å; L13-F48 HydrophobicContact CB-CD1 4.49Å; L13-F48 HydrophobicContact CB-CE1 3.58Å; L13-F48 HydrophobicContact CB-CZ 4.23Å; L13-F48 HydrophobicContact CD1-CD1 4.07Å; L13-F48 HydrophobicContact CD1-CE1 3.89Å; L13-F48 HydrophobicContact CG-CE1 4.41Å |
| 14 | G | 96.6 | Very high | 94 | Very high | 23 Ų | 23 | 58.3 Ų | 58.3 | 24% | 0.237 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.9 | -38.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A10 A11 I12 G18 | A10-G14 PolarHBondContact O-N 2.88Å; A11-G14 PolarHBondContact O-N 3.35Å; I12-G14 VanDerWaalsContact C-N 3.32Å; I12-G14 PolarHBondContact O-N 3.28Å; G14-G18 PolarHBondContact O-N 3.08Å |
| 15 | V | 96.2 | Very high | 93.9 | Very high | 90 Ų | 90 | 54.2 Ų | 54.2 | 55% | 0.545 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 172.3 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | A11 I12 G18 L19 | A11-V15 WeakPolarHBondContact O-CG2 3.29Å; A11-V15 PolarHBondContact O-N 2.8Å; I12-V15 PolarHBondContact O-N 2.91Å; V15-G18 PolarHBondContact O-N 3.41Å; V15-L19 HydrophobicContact CG1-CD1 3.73Å; V15-L19 HydrophobicContact CG1-CG 4.26Å; V15-L19 WeakPolarHBondContact O-CB 3.32Å; V15-L19 VanDerWaalsContact O-CG 3.25Å; V15-L19 WeakPolarHBondContact O-CG 3.49Å; V15-L19 PolarHBondContact O-N 3.39Å |
| 16 | V | 96.5 | Very high | 94 | Very high | 27 Ų | 27 | 49.3 Ų | 49.3 | 16% | 0.164 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.3 | -50.6 | 176.4 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | I12 L13 L19 T20 H30 V34 | I12-V16 WeakPolarHBondContact O-CG2 3.32Å; I12-V16 PolarHBondContact O-N 3.31Å; L13-V16 PolarHBondContact O-N 2.67Å; V16-L19 PolarHBondContact O-N 3.19Å; V16-T20 HydrophobicContact CG1-CG2 4.34Å; V16-T20 VanDerWaalsContact O-CB 3.31Å; V16-T20 WeakPolarHBondContact O-CB 3.38Å; V16-T20 VanDerWaalsContact O-CG2 3.29Å; V16-T20 WeakPolarHBondContact O-CG2 3.44Å; V16-T20 PolarHBondContact O-N 3.35Å; V16-T20 PolarHBondContact O-OG1 3.05Å; V16-H30 HydrophobicContact CG1-CB 3.8Å; V16-V34 HydrophobicContact CG2-CG1 4.45Å; V16-V34 HydrophobicContact CG2-CG2 4.29Å |
| 17 | E | 95.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -56.6 | -54.3 | 176.5 | 173 | 57.8 | -157.9 | 0 | 0 | 111.5 | L13 L19 T20 E21 S27 M31 I52 Q53 S56 | L13-E17 WeakPolarHBondContact O-CB 3.49Å; L13-E17 PolarHBondContact O-N 3.16Å; E17-L19 PolarHBondContact O-N 3.08Å; E17-T20 PolarHBondContact O-N 2.86Å; E17-T20 VanDerWaalsContact O-N 3.15Å; E17-E21 WeakPolarHBondContact O-CB 3.32Å; E17-E21 PolarHBondContact O-N 3.32Å; E17-S27 WeakPolarHBondContact OE2-CB 3.39Å; E17-M31 HydrophobicContact CB-CE 3.93Å; E17-M31 HydrophobicContact CB-SD 4.24Å; E17-M31 HydrophobicContact CG-CE 4.21Å; E17-M31 WeakPolarHBondContact OE2-CE 3.27Å; E17-I52 HydrophobicContact CB-CG1 4.18Å; E17-I52 HydrophobicContact CB-CG2 4.3Å; E17-I52 HydrophobicContact CG-CG1 4.2Å; E17-I52 HydrophobicContact CG-CG2 4.1Å; E17-Q53 WeakPolarHBondContact OE1-CG 3.4Å; E17-S56 PolarHBondContact OE1-OG 3.47Å |
| 18 | G | 93.6 | Very high | 94 | Very high | 38 Ų | 38 | 42.3 Ų | 42.3 | 39% | 0.392 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.3 | -32.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G14 V15 | G14-G18 PolarHBondContact O-N 3.08Å; V15-G18 PolarHBondContact O-N 3.41Å |
| 19 | L | 93.7 | Very high | 93.9 | Very high | 116 Ų | 116 | 37.3 Ų | 37.3 | 61% | 0.607 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -80.2 | -35.7 | 176.4 | -69.9 | 177.1 | 0 | 0 | 0 | 113 | V15 V16 E17 L23 | V15-L19 HydrophobicContact CG1-CD1 3.73Å; V15-L19 HydrophobicContact CG1-CG 4.26Å; V15-L19 WeakPolarHBondContact O-CB 3.32Å; V15-L19 VanDerWaalsContact O-CG 3.25Å; V15-L19 WeakPolarHBondContact O-CG 3.49Å; V15-L19 PolarHBondContact O-N 3.39Å; V16-L19 PolarHBondContact O-N 3.19Å; E17-L19 PolarHBondContact O-N 3.08Å; L19-L23 VanDerWaalsContact O-CD1 3.26Å; L19-L23 WeakPolarHBondContact O-CD1 3.33Å; L19-L23 WeakPolarHBondContact O-CG 3.04Å |
| 20 | T | 94.2 | Very high | 93.7 | Very high | 14 Ų | 14 | 40.1 Ų | 40.1 | 9% | 0.086 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -93 | -26.3 | -169.1 | 55.2 | 0 | 0 | 0 | 0 | 114 | V16 E17 F22 L23 V25 S27 H30 | V16-T20 HydrophobicContact CG1-CG2 4.34Å; V16-T20 VanDerWaalsContact O-CB 3.31Å; V16-T20 WeakPolarHBondContact O-CB 3.38Å; V16-T20 VanDerWaalsContact O-CG2 3.29Å; V16-T20 WeakPolarHBondContact O-CG2 3.44Å; V16-T20 PolarHBondContact O-N 3.35Å; V16-T20 PolarHBondContact O-OG1 3.05Å; E17-T20 PolarHBondContact O-N 2.86Å; E17-T20 VanDerWaalsContact O-N 3.15Å; T20-F22 VanDerWaalsContact C-N 3.31Å; T20-F22 PolarHBondContact O-N 3.28Å; T20-L23 PolarHBondContact O-N 2.86Å; T20-V25 HydrophobicContact CG2-CG2 4.03Å; T20-S27 VanDerWaalsContact OG1-CA 3.24Å; T20-S27 WeakPolarHBondContact OG1-CA 3.39Å; T20-S27 VanDerWaalsContact OG1-CB 3.28Å; T20-S27 WeakPolarHBondContact OG1-CB 3.48Å; T20-H30 HydrophobicContact CG2-CB 4.29Å |
| 21 | E | 91.8 | Very high | 93.6 | Very high | 40 Ų | 40 | 39 Ų | 39 | 19% | 0.187 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -34.6 | -176.2 | -177.5 | 65.8 | -172.6 | 0 | 0 | 113 | E17 S27 R174 | E17-E21 WeakPolarHBondContact O-CB 3.32Å; E17-E21 PolarHBondContact O-N 3.32Å; E21-S27 WeakPolarHBondContact OE2-CB 3.47Å; E21-S27 PolarHBondContact OE2-OG 2.88Å; E21-R174 IonicContact OE1-CZ 3.53Å; E21-R174 IonicContact OE1-NH2 2.67Å; E21-R174 PolarHBondContact OE1-NH2 3.4Å; E21-R174 IonicContact OE2-NH2 3.66Å |
| 22 | F | 88.3 | Confident | 93.3 | Very high | 57 Ų | 57 | 37.8 Ų | 37.8 | 25% | 0.25 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -8.1 | 179.6 | -58.4 | -67.6 | 0 | 0 | 0 | 113.7 | T20 A59 V60 F221 | T20-F22 VanDerWaalsContact C-N 3.31Å; T20-F22 PolarHBondContact O-N 3.28Å; F22-A59 HydrophobicContact CZ-CB 3.97Å; F22-V60 HydrophobicContact CE1-CG2 3.69Å; F22-V60 HydrophobicContact CZ-CG2 4.36Å; F22-F221 HydrophobicContact CB-CB 4.47Å; F22-F221 HydrophobicContact CB-CD1 3.95Å; F22-F221 HydrophobicContact CB-CE1 4.48Å; F22-F221 HydrophobicContact CB-CG 4.3Å; F22-F221 AromaticContact CD1-CD1 3.81Å; F22-F221 HydrophobicContact CD1-CD1 3.81Å; F22-F221 HydrophobicContact CD1-CE1 4.14Å; F22-F221 HydrophobicContact CG-CD1 4.34Å; F22-F221 WeakPolarHBondContact O-CD2 3.39Å |
| 23 | L | 90.7 | Very high | 93 | Very high | 87 Ų | 87 | 37.1 Ų | 37.1 | 46% | 0.455 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 155.9 | 177.3 | -67.8 | 178.6 | 0 | 0 | 0 | 109.8 | L19 T20 V25 S175 | L19-L23 VanDerWaalsContact O-CD1 3.26Å; L19-L23 WeakPolarHBondContact O-CD1 3.33Å; L19-L23 WeakPolarHBondContact O-CG 3.04Å; T20-L23 PolarHBondContact O-N 2.86Å; L23-V25 HydrophobicContact CB-CG2 3.81Å; L23-V25 PolarHBondContact O-N 3.5Å; L23-S175 PolarHBondContact O-OG 3.28Å |
| 24 | P | 91.6 | Very high | 92.9 | Very high | 31 Ų | 31 | 38.8 Ų | 38.8 | 20% | 0.201 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 47.6 | 173.2 | 34 | -35.7 | 0 | 0 | 0 | 111 | L133 S175 I179 | P24-L133 HydrophobicContact CB-CD1 3.98Å; P24-L133 HydrophobicContact CB-CD2 4.29Å; P24-L133 HydrophobicContact CG-CD1 4.45Å; P24-L133 WeakPolarHBondContact O-CD1 3.24Å; P24-S175 WeakPolarHBondContact CA-OG 3.31Å; P24-I179 HydrophobicContact CB-CD1 3.83Å |
| 25 | V | 90.7 | Very high | 92.7 | Very high | 52 Ų | 52 | 37.8 Ų | 37.8 | 32% | 0.315 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -124.9 | 166.1 | 174.7 | -57 | 0 | 0 | 0 | 0 | 107.8 | T20 L23 S173 | T20-V25 HydrophobicContact CG2-CG2 4.03Å; L23-V25 HydrophobicContact CB-CG2 3.81Å; L23-V25 PolarHBondContact O-N 3.5Å; V25-S173 PolarHBondContact N-OG 3.39Å; V25-S173 WeakPolarHBondContact O-CB 3.45Å; V25-S173 PolarHBondContact O-OG 2.83Å |
| 26 | S | 93.4 | Very high | 92.4 | Very high | 7 Ų | 7 | 38 Ų | 38 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | trans | -88.6 | 111.6 | 175.1 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | G29 H30 G171 | S26-G29 PolarHBondContact O-N 3.36Å; S26-G29 PolarHBondContact OG-N 3.42Å; S26-G29 VanDerWaalsContact OG-N 3.09Å; S26-H30 PolarHBondContact O-N 2.98Å; S26-H30 VanDerWaalsContact O-N 3.11Å; S26-H30 PolarHBondContact O-ND1 2.96Å; S26-G171 WeakPolarHBondContact CB-O 3.28Å; S26-G171 VanDerWaalsContact OG-CA 3.31Å; S26-G171 WeakPolarHBondContact OG-CA 3.09Å; S26-G171 PolarHBondContact OG-O 3.1Å | ||
| 27 | S | 93.6 | Very high | 92.1 | Very high | 6 Ų | 6 | 43.2 Ų | 43.2 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.3 | -52.5 | 173 | 48.1 | 0 | 0 | 0 | 0 | 111.5 | E17 T20 E21 G29 H30 M31 | E17-S27 WeakPolarHBondContact OE2-CB 3.39Å; T20-S27 VanDerWaalsContact OG1-CA 3.24Å; T20-S27 WeakPolarHBondContact OG1-CA 3.39Å; T20-S27 VanDerWaalsContact OG1-CB 3.28Å; T20-S27 WeakPolarHBondContact OG1-CB 3.48Å; E21-S27 WeakPolarHBondContact OE2-CB 3.47Å; E21-S27 PolarHBondContact OE2-OG 2.88Å; S27-G29 VanDerWaalsContact C-N 3.27Å; S27-G29 PolarHBondContact O-N 3.19Å; S27-H30 PolarHBondContact O-N 3.26Å; S27-H30 VanDerWaalsContact O-N 3.11Å; S27-M31 WeakPolarHBondContact O-CB 3.49Å; S27-M31 PolarHBondContact O-N 3.46Å |
| 28 | T | 91.5 | Very high | 92 | Very high | 25 Ų | 25 | 45.8 Ų | 45.8 | 15% | 0.153 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -48.6 | -47.1 | 170.1 | -70.5 | 0 | 0 | 0 | 0 | 112.1 | H30 M31 I32 E49 | T28-H30 PolarHBondContact O-N 3.43Å; T28-M31 PolarHBondContact O-N 3.12Å; T28-I32 HydrophobicContact CG2-CD1 3.67Å; T28-I32 HydrophobicContact CG2-CG1 4.38Å; T28-I32 VanDerWaalsContact O-CG1 3.3Å; T28-I32 WeakPolarHBondContact O-CG1 3.48Å; T28-I32 PolarHBondContact O-N 3.43Å; T28-E49 VanDerWaalsContact CB-OE1 3.24Å; T28-E49 WeakPolarHBondContact CB-OE1 3.37Å; T28-E49 WeakPolarHBondContact CG2-OE1 3.45Å; T28-E49 PolarHBondContact OG1-OE1 2.86Å |
| 29 | G | 92.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.3 | -44.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113 | S26 S27 I33 V122 | S26-G29 PolarHBondContact O-N 3.36Å; S26-G29 PolarHBondContact OG-N 3.42Å; S26-G29 VanDerWaalsContact OG-N 3.09Å; S27-G29 VanDerWaalsContact C-N 3.27Å; S27-G29 PolarHBondContact O-N 3.19Å; G29-I33 VanDerWaalsContact O-CG1 3.28Å; G29-I33 WeakPolarHBondContact O-CG1 3.32Å; G29-I33 PolarHBondContact O-N 3.38Å; G29-I33 VanDerWaalsContact O-N 3.09Å; G29-V122 VanDerWaalsContact CA-CG1 3.46Å |
| 30 | H | 93 | Very high | 91.7 | Very high | 69 Ų | 69 | 43.5 Ų | 43.5 | 32% | 0.319 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.1 | -37.5 | 176.3 | -72.5 | 76 | 0 | 0 | 0 | 112 | V16 T20 S26 S27 T28 I33 V34 | V16-H30 HydrophobicContact CG1-CB 3.8Å; T20-H30 HydrophobicContact CG2-CB 4.29Å; S26-H30 PolarHBondContact O-N 2.98Å; S26-H30 VanDerWaalsContact O-N 3.11Å; S26-H30 PolarHBondContact O-ND1 2.96Å; S27-H30 PolarHBondContact O-N 3.26Å; S27-H30 VanDerWaalsContact O-N 3.11Å; T28-H30 PolarHBondContact O-N 3.43Å; H30-I33 PolarHBondContact O-N 2.95Å; H30-V34 WeakPolarHBondContact O-CB 3.4Å; H30-V34 VanDerWaalsContact O-CG2 3.26Å; H30-V34 WeakPolarHBondContact O-CG2 3.31Å; H30-V34 PolarHBondContact O-N 3.16Å |
| 31 | M | 92.4 | Very high | 91.5 | Very high | 9 Ų | 9 | 48.2 Ų | 48.2 | 4% | 0.044 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 177.3 | -165.1 | 117.2 | 63.5 | 0 | 0 | 111.9 | L13 E17 S27 T28 G35 E49 I52 | L13-M31 HydrophobicContact CB-SD 4.05Å; L13-M31 HydrophobicContact CD2-CG 4.23Å; E17-M31 HydrophobicContact CB-CE 3.93Å; E17-M31 HydrophobicContact CB-SD 4.24Å; E17-M31 HydrophobicContact CG-CE 4.21Å; E17-M31 WeakPolarHBondContact OE2-CE 3.27Å; S27-M31 WeakPolarHBondContact O-CB 3.49Å; S27-M31 PolarHBondContact O-N 3.46Å; T28-M31 PolarHBondContact O-N 3.12Å; M31-G35 WeakPolarHBondContact O-CA 3.3Å; M31-G35 PolarHBondContact O-N 2.88Å; M31-E49 HydrophobicContact CE-CB 4.41Å; M31-E49 HydrophobicContact CE-CG 3.68Å; M31-E49 HydrophobicContact CG-CG 4.16Å; M31-I52 HydrophobicContact CE-CG2 3.3Å; M31-I52 HydrophobicContact SD-CG2 3.81Å |
| 32 | I | 90.7 | Very high | 91.3 | Very high | 33 Ų | 33 | 48.2 Ų | 48.2 | 17% | 0.169 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.7 | -45.5 | 175.1 | -69.4 | 168.9 | 0 | 0 | 0 | 110.6 | T28 H36 P119 V122 | T28-I32 HydrophobicContact CG2-CD1 3.67Å; T28-I32 HydrophobicContact CG2-CG1 4.38Å; T28-I32 VanDerWaalsContact O-CG1 3.3Å; T28-I32 WeakPolarHBondContact O-CG1 3.48Å; T28-I32 PolarHBondContact O-N 3.43Å; I32-H36 VanDerWaalsContact O-CB 3.31Å; I32-H36 WeakPolarHBondContact O-CB 3.28Å; I32-H36 PolarHBondContact O-N 2.9Å; I32-P119 HydrophobicContact CG2-CG 4.42Å; I32-V122 HydrophobicContact CD1-CG2 3.92Å |
| 33 | I | 90.9 | Very high | 91.4 | Very high | 52 Ų | 52 | 51.1 Ų | 51.1 | 27% | 0.267 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.3 | -50.1 | -179.6 | -68.5 | 167.4 | 0 | 0 | 0 | 111.1 | G29 H30 G35 H36 L37 M123 L126 | G29-I33 VanDerWaalsContact O-CG1 3.28Å; G29-I33 WeakPolarHBondContact O-CG1 3.32Å; G29-I33 PolarHBondContact O-N 3.38Å; G29-I33 VanDerWaalsContact O-N 3.09Å; H30-I33 PolarHBondContact O-N 2.95Å; I33-G35 VanDerWaalsContact C-N 3.34Å; I33-H36 PolarHBondContact O-N 2.97Å; I33-L37 HydrophobicContact CG2-CD1 4.18Å; I33-L37 VanDerWaalsContact O-CG 3.32Å; I33-L37 WeakPolarHBondContact O-CG 3.35Å; I33-L37 PolarHBondContact O-N 3.24Å; I33-M123 HydrophobicContact CD1-CG 4.4Å; I33-L126 HydrophobicContact CD1-CD1 3.49Å; I33-L126 VanDerWaalsContact CD1-CD1 3.49Å |
| 34 | V | 92.9 | Very high | 91.5 | Very high | 35 Ų | 35 | 51.9 Ų | 51.9 | 21% | 0.212 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66 | -40 | 179.8 | 175.6 | 0 | 0 | 0 | 0 | 110.4 | I12 L13 V16 H30 L37 L38 | I12-V34 HydrophobicContact CG2-CG1 4.12Å; L13-V34 HydrophobicContact CD2-CB 3.96Å; L13-V34 HydrophobicContact CD2-CG1 3.7Å; V16-V34 HydrophobicContact CG2-CG1 4.45Å; V16-V34 HydrophobicContact CG2-CG2 4.29Å; H30-V34 WeakPolarHBondContact O-CB 3.4Å; H30-V34 VanDerWaalsContact O-CG2 3.26Å; H30-V34 WeakPolarHBondContact O-CG2 3.31Å; H30-V34 PolarHBondContact O-N 3.16Å; V34-L37 PolarHBondContact O-N 3.4Å; V34-L38 HydrophobicContact CG1-CD1 3.8Å; V34-L38 HydrophobicContact CG1-CG 4.31Å; V34-L38 WeakPolarHBondContact O-CB 3.31Å; V34-L38 VanDerWaalsContact O-CG 3.28Å; V34-L38 WeakPolarHBondContact O-CG 3.32Å; V34-L38 PolarHBondContact O-N 2.98Å |
| 35 | G | 92.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 51.2 Ų | 51.2 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.2 | -48.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | M31 I33 L37 L38 G39 F40 | M31-G35 WeakPolarHBondContact O-CA 3.3Å; M31-G35 PolarHBondContact O-N 2.88Å; I33-G35 VanDerWaalsContact C-N 3.34Å; G35-L37 PolarHBondContact O-N 3.32Å; G35-L38 CarbonylContact O-C 3.52Å; G35-L38 PolarHBondContact O-N 3.09Å; G35-L38 VanDerWaalsContact O-N 3.16Å; G35-G39 PolarHBondContact O-N 3.24Å; G35-G39 VanDerWaalsContact O-N 3.08Å; G35-F40 CarbonylContact C-O 3.5Å; G35-F40 PolarHBondContact O-N 3.37Å |
| 36 | H | 90.3 | Very high | 91.4 | Very high | 94 Ų | 94 | 54.2 Ų | 54.2 | 44% | 0.435 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 175.4 | -175.8 | 78 | 0 | 0 | 0 | 112.2 | I32 I33 L38 G39 E41 | I32-H36 VanDerWaalsContact O-CB 3.31Å; I32-H36 WeakPolarHBondContact O-CB 3.28Å; I32-H36 PolarHBondContact O-N 2.9Å; I33-H36 PolarHBondContact O-N 2.97Å; H36-L38 VanDerWaalsContact C-N 3.27Å; H36-L38 PolarHBondContact O-N 2.9Å; H36-G39 PolarHBondContact O-N 3.33Å; H36-G39 VanDerWaalsContact O-N 3.08Å; H36-E41 IonicContact CE1-OE1 2.62Å; H36-E41 IonicContact CG-OE1 3.96Å; H36-E41 IonicContact ND1-OE1 2.84Å; H36-E41 PolarHBondContact ND1-OE1 3.28Å; H36-E41 IonicContact ND1-OE2 3.13Å |
| 37 | L | 91.3 | Very high | 91.4 | Very high | 137 Ų | 137 | 58 Ų | 58 | 72% | 0.717 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.5 | -30 | 178 | -69.3 | 174.6 | 0 | 0 | 0 | 113.3 | I33 V34 G35 G39 | I33-L37 HydrophobicContact CG2-CD1 4.18Å; I33-L37 VanDerWaalsContact O-CG 3.32Å; I33-L37 WeakPolarHBondContact O-CG 3.35Å; I33-L37 PolarHBondContact O-N 3.24Å; V34-L37 PolarHBondContact O-N 3.4Å; G35-L37 PolarHBondContact O-N 3.32Å; L37-G39 VanDerWaalsContact C-N 3.33Å |
| 38 | L | 92.6 | Very high | 91.4 | Very high | 58 Ų | 58 | 59.9 Ų | 59.9 | 30% | 0.304 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 0 | 176.1 | -65.5 | 175.3 | 0 | 0 | 0 | 113 | I9 I12 V34 G35 H36 F40 | I9-L38 HydrophobicContact CD1-CB 4.38Å; I9-L38 HydrophobicContact CG1-CB 4.33Å; I9-L38 HydrophobicContact CG1-CD1 4.3Å; I9-L38 HydrophobicContact CG2-CD1 4.13Å; I12-L38 HydrophobicContact CB-CD1 4.42Å; I12-L38 HydrophobicContact CD1-CD1 4.41Å; I12-L38 HydrophobicContact CG2-CD1 4.09Å; V34-L38 HydrophobicContact CG1-CD1 3.8Å; V34-L38 HydrophobicContact CG1-CG 4.31Å; V34-L38 WeakPolarHBondContact O-CB 3.31Å; V34-L38 VanDerWaalsContact O-CG 3.28Å; V34-L38 WeakPolarHBondContact O-CG 3.32Å; V34-L38 PolarHBondContact O-N 2.98Å; G35-L38 CarbonylContact O-C 3.52Å; G35-L38 PolarHBondContact O-N 3.09Å; G35-L38 VanDerWaalsContact O-N 3.16Å; H36-L38 VanDerWaalsContact C-N 3.27Å; H36-L38 PolarHBondContact O-N 2.9Å; L38-F40 PolarHBondContact O-N 3.09Å |
| 39 | G | 90.6 | Very high | 91.5 | Very high | 63 Ų | 63 | 59.8 Ų | 59.8 | 65% | 0.649 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 21.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | G35 H36 L37 | G35-G39 PolarHBondContact O-N 3.24Å; G35-G39 VanDerWaalsContact O-N 3.08Å; H36-G39 PolarHBondContact O-N 3.33Å; H36-G39 VanDerWaalsContact O-N 3.08Å; L37-G39 VanDerWaalsContact C-N 3.33Å |
| 40 | F | 90.6 | Very high | 91.5 | Very high | 43 Ų | 43 | 64.4 Ų | 64.4 | 19% | 0.189 | 36% | 0.362 | C | S | . | . | trans | -98.6 | 88.7 | 177 | -173.7 | -114.5 | 0 | 0 | 0 | 110.5 | I9 L13 G35 L38 T44 A45 F48 | I9-F40 HydrophobicContact CD1-CB 4.17Å; I9-F40 HydrophobicContact CG2-CB 3.87Å; I9-F40 HydrophobicContact CG2-CD1 4.08Å; I9-F40 HydrophobicContact CG2-CD2 4.39Å; I9-F40 HydrophobicContact CG2-CG 3.87Å; L13-F40 HydrophobicContact CD1-CD1 3.53Å; L13-F40 HydrophobicContact CD1-CE1 3.86Å; L13-F40 HydrophobicContact CD1-CG 4.49Å; G35-F40 CarbonylContact C-O 3.5Å; G35-F40 PolarHBondContact O-N 3.37Å; L38-F40 PolarHBondContact O-N 3.09Å; F40-T44 HydrophobicContact CE2-CG2 4.06Å; F40-T44 HydrophobicContact CZ-CG2 4.14Å; F40-A45 HydrophobicContact CD1-CB 3.63Å; F40-A45 VanDerWaalsContact CE1-CA 3.4Å; F40-A45 HydrophobicContact CE1-CB 3.61Å; F40-A45 HydrophobicContact CG-CB 4.22Å; F40-A45 HydrophobicContact CZ-CB 4.13Å; F40-A45 WeakPolarHBondContact O-CB 3.28Å; F40-F48 HydrophobicContact CE1-CB 3.86Å; F40-F48 HydrophobicContact CE1-CD1 4.03Å; F40-F48 AromaticContact CE1-CG 3.98Å; F40-F48 HydrophobicContact CE1-CG 3.98Å; F40-F48 HydrophobicContact CZ-CB 3.91Å; F40-F48 HydrophobicContact CZ-CG 4.19Å | ||
| 41 | E | 89.2 | Confident | 91.7 | Very high | 112 Ų | 112 | 65.1 Ų | 65.1 | 52% | 0.523 | 37% | 0.371 | S | S | . | . | trans | -129.4 | 172.1 | -177.1 | -57 | -163.8 | 108.6 | 0 | 0 | 112.1 | H36 | H36-E41 IonicContact CE1-OE1 2.62Å; H36-E41 IonicContact CG-OE1 3.96Å; H36-E41 IonicContact ND1-OE1 2.84Å; H36-E41 PolarHBondContact ND1-OE1 3.28Å; H36-E41 IonicContact ND1-OE2 3.13Å | ||
| 42 | G | 88.7 | Confident | 91.9 | Very high | 41 Ų | 41 | 66.8 Ų | 66.8 | 42% | 0.423 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 92.8 | -163.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | T44 A45 K46 | G42-T44 VanDerWaalsContact C-N 3.34Å; G42-T44 PolarHBondContact O-N 3.43Å; G42-A45 PolarHBondContact O-N 3.01Å; G42-K46 PolarHBondContact O-N 3.37Å; G42-K46 VanDerWaalsContact O-N 3.13Å |
| 43 | D | 90.6 | Very high | 92 | Very high | 117 Ų | 117 | 66.8 Ų | 66.8 | 63% | 0.626 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -71.3 | -29.4 | -171.1 | -64.6 | -30.8 | 0 | 0 | 0 | 113 | A45 K46 T47 | D43-A45 VanDerWaalsContact C-N 3.32Å; D43-K46 PolarHBondContact O-N 2.98Å; D43-K46 IonicContact OD1-NZ 3.74Å; D43-T47 WeakPolarHBondContact O-CB 3.46Å; D43-T47 PolarHBondContact O-N 3.34Å; D43-T47 PolarHBondContact O-OG1 2.82Å |
| 44 | T | 91.5 | Very high | 92.3 | Very high | 103 Ų | 103 | 69.2 Ų | 69.2 | 63% | 0.632 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.3 | -42.1 | 171.4 | -51.3 | 0 | 0 | 0 | 0 | 110.9 | F40 G42 T47 F48 | F40-T44 HydrophobicContact CE2-CG2 4.06Å; F40-T44 HydrophobicContact CZ-CG2 4.14Å; G42-T44 VanDerWaalsContact C-N 3.34Å; G42-T44 PolarHBondContact O-N 3.43Å; T44-T47 PolarHBondContact O-N 2.97Å; T44-F48 WeakPolarHBondContact O-CB 3Å; T44-F48 PolarHBondContact O-N 2.71Å |
| 45 | A | 90.7 | Very high | 92.4 | Very high | 18 Ų | 18 | 69.8 Ų | 69.8 | 15% | 0.149 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F40 G42 D43 T47 F48 E49 | F40-A45 HydrophobicContact CD1-CB 3.63Å; F40-A45 VanDerWaalsContact CE1-CA 3.4Å; F40-A45 HydrophobicContact CE1-CB 3.61Å; F40-A45 HydrophobicContact CG-CB 4.22Å; F40-A45 HydrophobicContact CZ-CB 4.13Å; F40-A45 WeakPolarHBondContact O-CB 3.28Å; G42-A45 PolarHBondContact O-N 3.01Å; D43-A45 VanDerWaalsContact C-N 3.32Å; A45-T47 VanDerWaalsContact C-N 3.35Å; A45-T47 PolarHBondContact O-N 3.02Å; A45-F48 WeakPolarHBondContact O-CB 3.24Å; A45-F48 PolarHBondContact O-N 2.9Å; A45-E49 WeakPolarHBondContact O-CB 3.3Å; A45-E49 PolarHBondContact O-N 2.9Å |
| 46 | K | 89.9 | Confident | 92.5 | Very high | 114 Ų | 114 | 70 Ų | 70 | 50% | 0.496 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.5 | -42.7 | 174.1 | -67.6 | 174.5 | -174.7 | 166.6 | 0 | 112.3 | G42 D43 F48 E49 V50 | G42-K46 PolarHBondContact O-N 3.37Å; G42-K46 VanDerWaalsContact O-N 3.13Å; D43-K46 PolarHBondContact O-N 2.98Å; D43-K46 IonicContact OD1-NZ 3.74Å; K46-F48 VanDerWaalsContact C-N 3.35Å; K46-E49 WeakPolarHBondContact O-CB 3.39Å; K46-E49 PolarHBondContact O-N 2.8Å; K46-V50 WeakPolarHBondContact O-CG2 3.28Å; K46-V50 PolarHBondContact O-N 2.83Å |
| 47 | T | 93.9 | Very high | 92.6 | Very high | 88 Ų | 88 | 70 Ų | 70 | 54% | 0.54 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 177.3 | -55.3 | 0 | 0 | 0 | 0 | 110.5 | D43 T44 A45 E49 V50 V51 | D43-T47 WeakPolarHBondContact O-CB 3.46Å; D43-T47 PolarHBondContact O-N 3.34Å; D43-T47 PolarHBondContact O-OG1 2.82Å; T44-T47 PolarHBondContact O-N 2.97Å; A45-T47 VanDerWaalsContact C-N 3.35Å; A45-T47 PolarHBondContact O-N 3.02Å; T47-E49 VanDerWaalsContact C-N 3.35Å; T47-E49 PolarHBondContact O-N 3.16Å; T47-V50 PolarHBondContact O-N 3.49Å; T47-V51 VanDerWaalsContact O-CG2 3.32Å; T47-V51 WeakPolarHBondContact O-CG2 3.45Å; T47-V51 PolarHBondContact O-N 3.48Å |
| 48 | F | 94.1 | Very high | 92.9 | Very high | 45 Ų | 45 | 68.6 Ų | 68.6 | 20% | 0.197 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60 | -44 | 175.1 | -178.6 | -91.1 | 0 | 0 | 0 | 111.7 | A10 L13 F40 T44 A45 K46 V50 V51 I52 | A10-F48 HydrophobicContact CB-CE2 3.73Å; A10-F48 HydrophobicContact CB-CZ 3.89Å; L13-F48 HydrophobicContact CB-CD1 4.49Å; L13-F48 HydrophobicContact CB-CE1 3.58Å; L13-F48 HydrophobicContact CB-CZ 4.23Å; L13-F48 HydrophobicContact CD1-CD1 4.07Å; L13-F48 HydrophobicContact CD1-CE1 3.89Å; L13-F48 HydrophobicContact CG-CE1 4.41Å; F40-F48 HydrophobicContact CE1-CB 3.86Å; F40-F48 HydrophobicContact CE1-CD1 4.03Å; F40-F48 AromaticContact CE1-CG 3.98Å; F40-F48 HydrophobicContact CE1-CG 3.98Å; F40-F48 HydrophobicContact CZ-CB 3.91Å; F40-F48 HydrophobicContact CZ-CG 4.19Å; T44-F48 WeakPolarHBondContact O-CB 3Å; T44-F48 PolarHBondContact O-N 2.71Å; A45-F48 WeakPolarHBondContact O-CB 3.24Å; A45-F48 PolarHBondContact O-N 2.9Å; K46-F48 VanDerWaalsContact C-N 3.35Å; F48-V50 VanDerWaalsContact C-N 3.3Å; F48-V50 PolarHBondContact O-N 3.36Å; F48-V51 PolarHBondContact O-N 3.3Å; F48-V51 VanDerWaalsContact O-N 3.16Å; F48-I52 HydrophobicContact CD1-CB 4.39Å; F48-I52 HydrophobicContact CD1-CG2 4.29Å; F48-I52 HydrophobicContact CE1-CB 3.96Å; F48-I52 HydrophobicContact CE1-CD1 4.41Å; F48-I52 HydrophobicContact CE1-CG1 4.08Å; F48-I52 HydrophobicContact CE1-CG2 4.06Å; F48-I52 HydrophobicContact CE2-CD1 4.43Å; F48-I52 HydrophobicContact CZ-CB 4.14Å; F48-I52 HydrophobicContact CZ-CD1 3.85Å; F48-I52 HydrophobicContact CZ-CG1 4.03Å; F48-I52 WeakPolarHBondContact O-CB 3.38Å; F48-I52 VanDerWaalsContact O-CG2 3.28Å; F48-I52 WeakPolarHBondContact O-CG2 3.39Å; F48-I52 PolarHBondContact O-N 2.89Å |
| 49 | E | 92.6 | Very high | 93 | Very high | 23 Ų | 23 | 67.9 Ų | 67.9 | 11% | 0.107 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -57.6 | -41.1 | 177.8 | -166.1 | -164 | 143.7 | 0 | 0 | 112.3 | T28 M31 A45 K46 T47 I52 Q53 | T28-E49 VanDerWaalsContact CB-OE1 3.24Å; T28-E49 WeakPolarHBondContact CB-OE1 3.37Å; T28-E49 WeakPolarHBondContact CG2-OE1 3.45Å; T28-E49 PolarHBondContact OG1-OE1 2.86Å; M31-E49 HydrophobicContact CE-CB 4.41Å; M31-E49 HydrophobicContact CE-CG 3.68Å; M31-E49 HydrophobicContact CG-CG 4.16Å; A45-E49 WeakPolarHBondContact O-CB 3.3Å; A45-E49 PolarHBondContact O-N 2.9Å; K46-E49 WeakPolarHBondContact O-CB 3.39Å; K46-E49 PolarHBondContact O-N 2.8Å; T47-E49 VanDerWaalsContact C-N 3.35Å; T47-E49 PolarHBondContact O-N 3.16Å; E49-I52 WeakPolarHBondContact O-CG2 3.41Å; E49-Q53 WeakPolarHBondContact O-CG 3.44Å; E49-Q53 PolarHBondContact O-N 3.35Å; E49-Q53 PolarHBondContact O-NE2 2.83Å |
| 50 | V | 93.4 | Very high | 93.1 | Very high | 97 Ų | 97 | 67.5 Ų | 67.5 | 59% | 0.588 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -69.2 | -42.4 | 176.6 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | K46 T47 F48 | K46-V50 WeakPolarHBondContact O-CG2 3.28Å; K46-V50 PolarHBondContact O-N 2.83Å; T47-V50 PolarHBondContact O-N 3.49Å; F48-V50 VanDerWaalsContact C-N 3.3Å; F48-V50 PolarHBondContact O-N 3.36Å |
| 51 | V | 96.2 | Very high | 93.3 | Very high | 84 Ų | 84 | 68.4 Ų | 68.4 | 51% | 0.509 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70.9 | -40.9 | -176.8 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | T47 F48 Q53 L54 | T47-V51 VanDerWaalsContact O-CG2 3.32Å; T47-V51 WeakPolarHBondContact O-CG2 3.45Å; T47-V51 PolarHBondContact O-N 3.48Å; F48-V51 PolarHBondContact O-N 3.3Å; F48-V51 VanDerWaalsContact O-N 3.16Å; V51-Q53 VanDerWaalsContact C-N 3.32Å; V51-Q53 PolarHBondContact O-N 3.37Å; V51-L54 WeakPolarHBondContact O-CB 3.28Å; V51-L54 WeakPolarHBondContact O-CG 3.33Å; V51-L54 PolarHBondContact O-N 3.48Å |
| 52 | I | 95.8 | Very high | 93.6 | Very high | 43 Ų | 43 | 67.7 Ų | 67.7 | 22% | 0.221 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.6 | -32.8 | -176.2 | -162.3 | 68.8 | 0 | 0 | 0 | 111.8 | E17 M31 F48 E49 L54 G55 | E17-I52 HydrophobicContact CB-CG1 4.18Å; E17-I52 HydrophobicContact CB-CG2 4.3Å; E17-I52 HydrophobicContact CG-CG1 4.2Å; E17-I52 HydrophobicContact CG-CG2 4.1Å; M31-I52 HydrophobicContact CE-CG2 3.3Å; M31-I52 HydrophobicContact SD-CG2 3.81Å; F48-I52 HydrophobicContact CD1-CB 4.39Å; F48-I52 HydrophobicContact CD1-CG2 4.29Å; F48-I52 HydrophobicContact CE1-CB 3.96Å; F48-I52 HydrophobicContact CE1-CD1 4.41Å; F48-I52 HydrophobicContact CE1-CG1 4.08Å; F48-I52 HydrophobicContact CE1-CG2 4.06Å; F48-I52 HydrophobicContact CE2-CD1 4.43Å; F48-I52 HydrophobicContact CZ-CB 4.14Å; F48-I52 HydrophobicContact CZ-CD1 3.85Å; F48-I52 HydrophobicContact CZ-CG1 4.03Å; F48-I52 WeakPolarHBondContact O-CB 3.38Å; F48-I52 VanDerWaalsContact O-CG2 3.28Å; F48-I52 WeakPolarHBondContact O-CG2 3.39Å; F48-I52 PolarHBondContact O-N 2.89Å; E49-I52 WeakPolarHBondContact O-CG2 3.41Å; I52-L54 PolarHBondContact O-N 3.18Å; I52-G55 PolarHBondContact O-N 3.48Å |
| 53 | Q | 94 | Very high | 93.7 | Very high | 34 Ų | 34 | 71 Ų | 71 | 16% | 0.159 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.1 | -23.2 | 171.1 | -80.4 | 175.7 | 69 | 0 | 0 | 113.2 | E17 E49 V51 G55 S56 I57 | E17-Q53 WeakPolarHBondContact OE1-CG 3.4Å; E49-Q53 WeakPolarHBondContact O-CG 3.44Å; E49-Q53 PolarHBondContact O-N 3.35Å; E49-Q53 PolarHBondContact O-NE2 2.83Å; V51-Q53 VanDerWaalsContact C-N 3.32Å; V51-Q53 PolarHBondContact O-N 3.37Å; Q53-G55 PolarHBondContact O-N 3.2Å; Q53-S56 PolarHBondContact O-N 2.94Å; Q53-S56 PolarHBondContact O-OG 2.98Å; Q53-I57 WeakPolarHBondContact O-CG1 3.37Å; Q53-I57 PolarHBondContact O-N 2.94Å |
| 54 | L | 96.2 | Very high | 93.6 | Very high | 103 Ų | 103 | 68.5 Ų | 68.5 | 54% | 0.539 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.6 | -28.2 | 173.8 | -58.4 | 178.3 | 0 | 0 | 0 | 111.3 | V51 I52 I57 L58 | V51-L54 WeakPolarHBondContact O-CB 3.28Å; V51-L54 WeakPolarHBondContact O-CG 3.33Å; V51-L54 PolarHBondContact O-N 3.48Å; I52-L54 PolarHBondContact O-N 3.18Å; L54-I57 HydrophobicContact CD2-CD1 4.24Å; L54-L58 VanDerWaalsContact O-CB 3.32Å; L54-L58 WeakPolarHBondContact O-CB 3.21Å; L54-L58 PolarHBondContact O-N 3.36Å |
| 55 | G | 95.7 | Very high | 93.6 | Very high | 46 Ų | 46 | 68.7 Ų | 68.7 | 47% | 0.474 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I52 Q53 L58 A59 | I52-G55 PolarHBondContact O-N 3.48Å; Q53-G55 PolarHBondContact O-N 3.2Å; G55-L58 PolarHBondContact O-N 3.1Å; G55-A59 PolarHBondContact O-N 2.94Å |
| 56 | S | 94 | Very high | 93.6 | Very high | 7 Ų | 7 | 71.5 Ų | 71.5 | 5% | 0.049 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -71.7 | -37.9 | 177.8 | 55.4 | 0 | 0 | 0 | 0 | 112 | E17 Q53 L58 A59 V60 | E17-S56 PolarHBondContact OE1-OG 3.47Å; Q53-S56 PolarHBondContact O-N 2.94Å; Q53-S56 PolarHBondContact O-OG 2.98Å; S56-L58 PolarHBondContact O-N 3.22Å; S56-A59 WeakPolarHBondContact O-CB 3.43Å; S56-A59 PolarHBondContact O-N 3.26Å; S56-V60 PolarHBondContact O-N 3.45Å; S56-V60 VanDerWaalsContact O-N 3.07Å |
| 57 | I | 94.1 | Very high | 93.5 | Very high | 95 Ų | 95 | 68.5 Ų | 68.5 | 49% | 0.487 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.5 | -47.2 | 169.7 | -67.3 | 167.5 | 0 | 0 | 0 | 110.7 | Q53 L54 A59 V60 V61 | Q53-I57 WeakPolarHBondContact O-CG1 3.37Å; Q53-I57 PolarHBondContact O-N 2.94Å; L54-I57 HydrophobicContact CD2-CD1 4.24Å; I57-A59 VanDerWaalsContact C-N 3.29Å; I57-A59 PolarHBondContact O-N 3.08Å; I57-V60 WeakPolarHBondContact O-CB 3.42Å; I57-V60 PolarHBondContact O-N 3.31Å; I57-V60 VanDerWaalsContact O-N 3.15Å; I57-V61 HydrophobicContact CG2-CG2 4.48Å; I57-V61 WeakPolarHBondContact O-CG2 3.31Å; I57-V61 PolarHBondContact O-N 2.97Å |
| 58 | L | 96.4 | Very high | 93.3 | Very high | 106 Ų | 106 | 67.4 Ų | 67.4 | 56% | 0.555 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -60.2 | -40.1 | 177.9 | 179.6 | 62.1 | 0 | 0 | 0 | 111.5 | L54 G55 S56 V60 V61 V62 | L54-L58 VanDerWaalsContact O-CB 3.32Å; L54-L58 WeakPolarHBondContact O-CB 3.21Å; L54-L58 PolarHBondContact O-N 3.36Å; G55-L58 PolarHBondContact O-N 3.1Å; S56-L58 PolarHBondContact O-N 3.22Å; L58-V60 VanDerWaalsContact C-N 3.35Å; L58-V60 PolarHBondContact O-N 2.91Å; L58-V61 PolarHBondContact O-N 3.44Å; L58-V62 HydrophobicContact CD1-CG2 4.05Å; L58-V62 HydrophobicContact CG-CG2 4.27Å; L58-V62 WeakPolarHBondContact O-CB 3.38Å; L58-V62 WeakPolarHBondContact O-CG2 3.41Å; L58-V62 PolarHBondContact O-N 3.35Å |
| 59 | A | 95.5 | Very high | 93.1 | Very high | 43 Ų | 43 | 69 Ų | 69 | 36% | 0.355 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F22 G55 S56 I57 V62 M63 | F22-A59 HydrophobicContact CZ-CB 3.97Å; G55-A59 PolarHBondContact O-N 2.94Å; S56-A59 WeakPolarHBondContact O-CB 3.43Å; S56-A59 PolarHBondContact O-N 3.26Å; I57-A59 VanDerWaalsContact C-N 3.29Å; I57-A59 PolarHBondContact O-N 3.08Å; A59-V62 PolarHBondContact O-N 3.13Å; A59-M63 VanDerWaalsContact O-CB 3.23Å; A59-M63 WeakPolarHBondContact O-CB 3.39Å; A59-M63 PolarHBondContact O-N 3.41Å |
| 60 | V | 92.3 | Very high | 92.9 | Very high | 56 Ų | 56 | 68.5 Ų | 68.5 | 34% | 0.339 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.5 | -44.3 | 172.6 | 175.2 | 0 | 0 | 0 | 0 | 111 | F22 S56 I57 L58 M63 F64 | F22-V60 HydrophobicContact CE1-CG2 3.69Å; F22-V60 HydrophobicContact CZ-CG2 4.36Å; S56-V60 PolarHBondContact O-N 3.45Å; S56-V60 VanDerWaalsContact O-N 3.07Å; I57-V60 WeakPolarHBondContact O-CB 3.42Å; I57-V60 PolarHBondContact O-N 3.31Å; I57-V60 VanDerWaalsContact O-N 3.15Å; L58-V60 VanDerWaalsContact C-N 3.35Å; L58-V60 PolarHBondContact O-N 2.91Å; V60-M63 PolarHBondContact O-N 3.34Å; V60-F64 HydrophobicContact CG1-CD2 4Å; V60-F64 WeakPolarHBondContact O-CB 3.24Å; V60-F64 WeakPolarHBondContact O-CD2 3.2Å; V60-F64 PolarHBondContact O-N 2.99Å |
| 61 | V | 94.7 | Very high | 92.6 | Very high | 62 Ų | 62 | 65.5 Ų | 65.5 | 38% | 0.376 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.5 | -47.4 | 178.3 | 176.6 | 0 | 0 | 0 | 0 | 110.7 | I57 L58 M63 W65 L68 | I57-V61 HydrophobicContact CG2-CG2 4.48Å; I57-V61 WeakPolarHBondContact O-CG2 3.31Å; I57-V61 PolarHBondContact O-N 2.97Å; L58-V61 PolarHBondContact O-N 3.44Å; V61-M63 PolarHBondContact O-N 2.97Å; V61-W65 WeakPolarHBondContact O-CA 3.28Å; V61-W65 WeakPolarHBondContact O-CB 3.24Å; V61-W65 PolarHBondContact O-N 3.09Å; V61-L68 HydrophobicContact CB-CD1 4.28Å; V61-L68 HydrophobicContact CG1-CD1 4.38Å; V61-L68 HydrophobicContact CG2-CD1 4.04Å |
| 62 | V | 95.3 | Very high | 92.2 | Very high | 97 Ų | 97 | 66.5 Ų | 66.5 | 59% | 0.588 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65 | -40.2 | 179.8 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | L58 A59 W65 | L58-V62 HydrophobicContact CD1-CG2 4.05Å; L58-V62 HydrophobicContact CG-CG2 4.27Å; L58-V62 WeakPolarHBondContact O-CB 3.38Å; L58-V62 WeakPolarHBondContact O-CG2 3.41Å; L58-V62 PolarHBondContact O-N 3.35Å; A59-V62 PolarHBondContact O-N 3.13Å; V62-W65 VanDerWaalsContact O-CD1 3.28Å |
| 63 | M | 90.2 | Very high | 91.7 | Very high | 109 Ų | 109 | 66.9 Ų | 66.9 | 54% | 0.537 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.9 | -41.6 | 179.8 | -175.1 | -179.4 | -76.8 | 0 | 0 | 111.9 | A59 V60 V61 | A59-M63 VanDerWaalsContact O-CB 3.23Å; A59-M63 WeakPolarHBondContact O-CB 3.39Å; A59-M63 PolarHBondContact O-N 3.41Å; V60-M63 PolarHBondContact O-N 3.34Å; V61-M63 PolarHBondContact O-N 2.97Å |
| 64 | F | 89.7 | Confident | 91.3 | Very high | 66 Ų | 66 | 69 Ų | 69 | 29% | 0.289 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -112.7 | 17.9 | -171.6 | -59.1 | -70.7 | 0 | 0 | 0 | 114.2 | V60 R66 R67 L68 | V60-F64 HydrophobicContact CG1-CD2 4Å; V60-F64 WeakPolarHBondContact O-CB 3.24Å; V60-F64 WeakPolarHBondContact O-CD2 3.2Å; V60-F64 PolarHBondContact O-N 2.99Å; F64-R66 VanDerWaalsContact C-N 3.28Å; F64-R66 PolarHBondContact O-N 2.84Å; F64-R66 VanDerWaalsContact O-N 3.13Å; F64-R67 WeakPolarHBondContact O-CA 3.26Å; F64-R67 WeakPolarHBondContact O-CB 3.33Å; F64-R67 PolarHBondContact O-N 3.45Å; F64-L68 HydrophobicContact CB-CG 4.48Å; F64-L68 PolarHBondContact O-N 3.11Å |
| 65 | W | 91.7 | Very high | 90.7 | Very high | 106 Ų | 106 | 69.5 Ų | 69.5 | 40% | 0.402 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -49.9 | -47 | -173.4 | 68 | -77.8 | 0 | 0 | 0 | 112.5 | V61 V62 R67 L68 F69 F76 | V61-W65 WeakPolarHBondContact O-CA 3.28Å; V61-W65 WeakPolarHBondContact O-CB 3.24Å; V61-W65 PolarHBondContact O-N 3.09Å; V62-W65 VanDerWaalsContact O-CD1 3.28Å; W65-R67 VanDerWaalsContact C-N 3.28Å; W65-R67 PolarHBondContact O-N 3.26Å; W65-L68 PolarHBondContact O-N 3.11Å; W65-F69 HydrophobicContact CB-CD2 4.33Å; W65-F69 HydrophobicContact CB-CE2 4.41Å; W65-F69 AromaticContact CE3-CD2 3.91Å; W65-F69 HydrophobicContact CE3-CD2 3.91Å; W65-F69 HydrophobicContact CE3-CE2 4.23Å; W65-F69 WeakPolarHBondContact O-CD2 3.41Å; W65-F69 PolarHBondContact O-N 2.85Å; W65-F76 HydrophobicContact CE3-CD2 4.42Å; W65-F76 HydrophobicContact CE3-CE2 4.07Å; W65-F76 HydrophobicContact CE3-CZ 4.44Å; W65-F76 HydrophobicContact CH2-CD2 4.42Å; W65-F76 HydrophobicContact CH2-CG 4.37Å; W65-F76 HydrophobicContact CZ3-CD1 4.19Å; W65-F76 AromaticContact CZ3-CD2 3.71Å; W65-F76 HydrophobicContact CZ3-CD2 3.71Å; W65-F76 HydrophobicContact CZ3-CE1 4.09Å; W65-F76 AromaticContact CZ3-CE2 3.59Å; W65-F76 HydrophobicContact CZ3-CE2 3.59Å; W65-F76 HydrophobicContact CZ3-CG 4.01Å; W65-F76 AromaticContact CZ3-CZ 3.79Å; W65-F76 HydrophobicContact CZ3-CZ 3.79Å |
| 66 | R | 89.8 | Confident | 90.2 | Very high | 78 Ų | 78 | 72.2 Ų | 72.2 | 29% | 0.294 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.2 | -36.5 | -178.5 | -60.1 | 179.3 | 62 | -150.9 | -20.1 | 112.5 | F64 G70 R78 L80 | F64-R66 VanDerWaalsContact C-N 3.28Å; F64-R66 PolarHBondContact O-N 2.84Å; F64-R66 VanDerWaalsContact O-N 3.13Å; R66-G70 PolarHBondContact O-N 2.94Å; R66-R78 VanDerWaalsContact NH2-CD 3.35Å; R66-L80 WeakPolarHBondContact O-CD2 3.43Å |
| 67 | R | 87.7 | Confident | 89.4 | Confident | 50 Ų | 50 | 75.8 Ų | 75.8 | 19% | 0.189 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -73.3 | -42.3 | 176.3 | -173.9 | 172 | -166.9 | 170.1 | 15.5 | 111.2 | F64 W65 G70 L71 E83 L149 D150 R220 | F64-R67 WeakPolarHBondContact O-CA 3.26Å; F64-R67 WeakPolarHBondContact O-CB 3.33Å; F64-R67 PolarHBondContact O-N 3.45Å; W65-R67 VanDerWaalsContact C-N 3.28Å; W65-R67 PolarHBondContact O-N 3.26Å; R67-G70 CarbonylContact O-C 3.6Å; R67-G70 WeakPolarHBondContact O-CA 3.32Å; R67-G70 PolarHBondContact O-N 3.23Å; R67-G70 VanDerWaalsContact O-N 3.12Å; R67-L71 WeakPolarHBondContact O-CG 3.32Å; R67-L71 PolarHBondContact O-N 3.07Å; R67-E83 IonicContact CZ-OE2 3.21Å; R67-E83 IonicContact NH1-OE2 3.9Å; R67-E83 PolarHBondContact NH1-OE2 3.38Å; R67-E83 IonicContact NH2-OE2 2.72Å; R67-E83 PolarHBondContact NH2-OE2 2.91Å; R67-L149 VanDerWaalsContact NH1-CD2 3.33Å; R67-L149 VanDerWaalsContact NH2-CD2 3.34Å; R67-D150 IonicContact NH2-OD1 3.87Å; R67-D150 PolarHBondContact NH2-OD1 2.94Å; R67-D150 IonicContact NH2-OD2 3.57Å; R67-R220 VanDerWaalsContact NH1-NH2 3.12Å |
| 68 | L | 90 | Very high | 88.3 | Confident | 65 Ų | 65 | 79.3 Ų | 79.3 | 34% | 0.34 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 176.3 | -66.5 | 173.5 | 0 | 0 | 0 | 111.7 | V61 F64 W65 G70 L71 | V61-L68 HydrophobicContact CB-CD1 4.28Å; V61-L68 HydrophobicContact CG1-CD1 4.38Å; V61-L68 HydrophobicContact CG2-CD1 4.04Å; F64-L68 HydrophobicContact CB-CG 4.48Å; F64-L68 PolarHBondContact O-N 3.11Å; W65-L68 PolarHBondContact O-N 3.11Å; L68-G70 VanDerWaalsContact C-N 3.29Å; L68-G70 PolarHBondContact O-N 3.24Å; L68-L71 HydrophobicContact CD2-CD1 4.34Å; L68-L71 WeakPolarHBondContact O-CB 3.49Å; L68-L71 PolarHBondContact O-N 3.32Å |
| 69 | F | 89.7 | Confident | 87 | Confident | 80 Ų | 80 | 79.9 Ų | 79.9 | 35% | 0.351 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.2 | -35 | 172.9 | -78.9 | -69.3 | 0 | 0 | 0 | 112.3 | W65 L71 I72 G73 I74 F76 | W65-F69 HydrophobicContact CB-CD2 4.33Å; W65-F69 HydrophobicContact CB-CE2 4.41Å; W65-F69 AromaticContact CE3-CD2 3.91Å; W65-F69 HydrophobicContact CE3-CD2 3.91Å; W65-F69 HydrophobicContact CE3-CE2 4.23Å; W65-F69 WeakPolarHBondContact O-CD2 3.41Å; W65-F69 PolarHBondContact O-N 2.85Å; F69-L71 VanDerWaalsContact C-N 3.28Å; F69-L71 PolarHBondContact O-N 3.28Å; F69-I72 HydrophobicContact CD1-CD1 3.88Å; F69-I72 HydrophobicContact CD1-CG1 4.43Å; F69-I72 HydrophobicContact CE1-CD1 4.36Å; F69-I72 WeakPolarHBondContact O-CG1 3.13Å; F69-I72 PolarHBondContact O-N 3.23Å; F69-G73 PolarHBondContact O-N 3.01Å; F69-I74 CarbonylContact C-O 3.28Å; F69-I74 VanDerWaalsContact C-O 3.28Å; F69-I74 HydrophobicContact CB-CB 4.17Å; F69-I74 HydrophobicContact CB-CG2 4.47Å; F69-I74 HydrophobicContact CD1-CB 4.38Å; F69-I74 HydrophobicContact CD1-CD1 4.11Å; F69-I74 PolarHBondContact O-N 2.85Å; F69-F76 HydrophobicContact CB-CD2 4.47Å; F69-F76 HydrophobicContact CB-CE2 3.72Å; F69-F76 HydrophobicContact CD1-CE2 4.44Å; F69-F76 AromaticContact CD2-CE2 3.95Å; F69-F76 HydrophobicContact CD2-CE2 3.95Å; F69-F76 HydrophobicContact CD2-CZ 4.42Å; F69-F76 AromaticContact CG-CE2 3.79Å; F69-F76 HydrophobicContact CG-CE2 3.79Å; F69-F76 HydrophobicContact CG-CZ 4.36Å |
| 70 | G | 87.9 | Confident | 85.9 | Confident | 12 Ų | 12 | 79.9 Ų | 79.9 | 12% | 0.124 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -60.2 | -34.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R66 R67 L68 I72 G73 I74 | R66-G70 PolarHBondContact O-N 2.94Å; R67-G70 CarbonylContact O-C 3.6Å; R67-G70 WeakPolarHBondContact O-CA 3.32Å; R67-G70 PolarHBondContact O-N 3.23Å; R67-G70 VanDerWaalsContact O-N 3.12Å; L68-G70 VanDerWaalsContact C-N 3.29Å; L68-G70 PolarHBondContact O-N 3.24Å; G70-I72 VanDerWaalsContact C-N 3.27Å; G70-I72 PolarHBondContact O-N 2.82Å; G70-G73 PolarHBondContact O-N 3.17Å; G70-I74 PolarHBondContact N-O 3.44Å |
| 71 | L | 87.4 | Confident | 84.9 | Confident | 33 Ų | 33 | 85.3 Ų | 85.3 | 17% | 0.173 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -68.7 | -25.5 | 177.7 | -70.5 | 163.6 | 0 | 0 | 0 | 113.2 | R67 L68 F69 L90 I95 | R67-L71 WeakPolarHBondContact O-CG 3.32Å; R67-L71 PolarHBondContact O-N 3.07Å; L68-L71 HydrophobicContact CD2-CD1 4.34Å; L68-L71 WeakPolarHBondContact O-CB 3.49Å; L68-L71 PolarHBondContact O-N 3.32Å; F69-L71 VanDerWaalsContact C-N 3.28Å; F69-L71 PolarHBondContact O-N 3.28Å; L71-L90 HydrophobicContact CD1-CD2 4.37Å; L71-L90 HydrophobicContact CD2-CD2 3.46Å; L71-L90 VanDerWaalsContact CD2-CD2 3.46Å; L71-L90 VanDerWaalsContact CD2-O 3.28Å; L71-L90 WeakPolarHBondContact CD2-O 3.37Å; L71-I95 HydrophobicContact CD1-CD1 3.52Å; L71-I95 HydrophobicContact CD2-CD1 4.36Å |
| 72 | I | 88.7 | Confident | 84.1 | Confident | 105 Ų | 105 | 85.7 Ų | 85.7 | 54% | 0.538 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 10.5 | 174.9 | 61.9 | 167.2 | 0 | 0 | 0 | 112.8 | F69 G70 I74 | F69-I72 HydrophobicContact CD1-CD1 3.88Å; F69-I72 HydrophobicContact CD1-CG1 4.43Å; F69-I72 HydrophobicContact CE1-CD1 4.36Å; F69-I72 WeakPolarHBondContact O-CG1 3.13Å; F69-I72 PolarHBondContact O-N 3.23Å; G70-I72 VanDerWaalsContact C-N 3.27Å; G70-I72 PolarHBondContact O-N 2.82Å; I72-I74 HydrophobicContact CD1-CD1 3.95Å; I72-I74 HydrophobicContact CD1-CG1 4.45Å; I72-I74 HydrophobicContact CG1-CD1 4.39Å; I72-I74 HydrophobicContact CG1-CG1 4.35Å |
| 73 | G | 85.1 | Confident | 83.1 | Confident | 52 Ų | 52 | 83.7 Ų | 83.7 | 54% | 0.536 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 8.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | F69 G70 | F69-G73 PolarHBondContact O-N 3.01Å; G70-G73 PolarHBondContact O-N 3.17Å |
| 74 | I | 86.1 | Confident | 82.4 | Confident | 79 Ų | 79 | 80 Ų | 80 | 41% | 0.405 | 42% | 0.418 | S | S | . | . | trans | -94.3 | 111.6 | 177.4 | -59.4 | 178.6 | 0 | 0 | 0 | 109.2 | F69 G70 I72 F76 | F69-I74 CarbonylContact C-O 3.28Å; F69-I74 VanDerWaalsContact C-O 3.28Å; F69-I74 HydrophobicContact CB-CB 4.17Å; F69-I74 HydrophobicContact CB-CG2 4.47Å; F69-I74 HydrophobicContact CD1-CB 4.38Å; F69-I74 HydrophobicContact CD1-CD1 4.11Å; F69-I74 PolarHBondContact O-N 2.85Å; G70-I74 PolarHBondContact N-O 3.44Å; I72-I74 HydrophobicContact CD1-CD1 3.95Å; I72-I74 HydrophobicContact CD1-CG1 4.45Å; I72-I74 HydrophobicContact CG1-CD1 4.39Å; I72-I74 HydrophobicContact CG1-CG1 4.35Å; I74-F76 HydrophobicContact CG2-CD2 4.34Å; I74-F76 HydrophobicContact CG2-CE2 3.78Å; I74-F76 HydrophobicContact CG2-CZ 3.94Å | ||
| 75 | H | 83.2 | Confident | 81.8 | Confident | 113 Ų | 113 | 82.4 Ų | 82.4 | 52% | 0.523 | 43% | 0.431 | S | S | . | . | trans | -113.1 | 115.2 | -179.6 | -55.7 | -57.9 | 0 | 0 | 0 | 110.9 | G77 L80 | H75-G77 PolarHBondContact O-N 3.24Å; H75-L80 WeakPolarHBondContact CE1-CD1 3.43Å; H75-L80 WeakPolarHBondContact ND1-CD1 3.35Å | ||
| 76 | F | 83.7 | Confident | 81.1 | Confident | 102 Ų | 102 | 79.5 Ų | 79.5 | 45% | 0.447 | 43% | 0.426 | S | S | . | . | trans | -79.8 | 51.9 | -178.2 | -68.3 | -89.1 | 0 | 0 | 0 | 113.3 | W65 F69 I74 R78 | W65-F76 HydrophobicContact CE3-CD2 4.42Å; W65-F76 HydrophobicContact CE3-CE2 4.07Å; W65-F76 HydrophobicContact CE3-CZ 4.44Å; W65-F76 HydrophobicContact CH2-CD2 4.42Å; W65-F76 HydrophobicContact CH2-CG 4.37Å; W65-F76 HydrophobicContact CZ3-CD1 4.19Å; W65-F76 AromaticContact CZ3-CD2 3.71Å; W65-F76 HydrophobicContact CZ3-CD2 3.71Å; W65-F76 HydrophobicContact CZ3-CE1 4.09Å; W65-F76 AromaticContact CZ3-CE2 3.59Å; W65-F76 HydrophobicContact CZ3-CE2 3.59Å; W65-F76 HydrophobicContact CZ3-CG 4.01Å; W65-F76 AromaticContact CZ3-CZ 3.79Å; W65-F76 HydrophobicContact CZ3-CZ 3.79Å; F69-F76 HydrophobicContact CB-CD2 4.47Å; F69-F76 HydrophobicContact CB-CE2 3.72Å; F69-F76 HydrophobicContact CD1-CE2 4.44Å; F69-F76 AromaticContact CD2-CE2 3.95Å; F69-F76 HydrophobicContact CD2-CE2 3.95Å; F69-F76 HydrophobicContact CD2-CZ 4.42Å; F69-F76 AromaticContact CG-CE2 3.79Å; F69-F76 HydrophobicContact CG-CE2 3.79Å; F69-F76 HydrophobicContact CG-CZ 4.36Å; I74-F76 HydrophobicContact CG2-CD2 4.34Å; I74-F76 HydrophobicContact CG2-CE2 3.78Å; I74-F76 HydrophobicContact CG2-CZ 3.94Å; F76-R78 PolarHBondContact O-N 3.44Å | ||
| 77 | G | 77.3 | Confident | 80.6 | Confident | 83 Ų | 83 | 86 Ų | 86 | 86% | 0.856 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 63.6 | 4.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | H75 | H75-G77 PolarHBondContact O-N 3.24Š|
| 78 | R | 71.9 | Confident | 80.3 | Confident | 169 Ų | 169 | 85.1 Ų | 85.1 | 64% | 0.638 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -123.4 | 139.6 | 177.1 | -76.9 | -178.1 | 179.5 | -173.1 | 1.1 | 108.4 | R66 F76 L80 | R66-R78 VanDerWaalsContact NH2-CD 3.35Å; F76-R78 PolarHBondContact O-N 3.44Å; R78-L80 PolarHBondContact O-N 3Å |
| 79 | P | 69.2 | Low | 80.1 | Confident | 117 Ų | 117 | 88.2 Ų | 88.2 | 76% | 0.76 | 47% | 0.471 | S | S | * | . | trans | -57.5 | 136 | 178.2 | 24 | -31.9 | 0 | 0 | 0 | 109.4 | Q81 | P79-Q81 PolarHBondContact O-N 2.92Š| ||
| 80 | L | 71.5 | Confident | 79.9 | Confident | 44 Ų | 44 | 85.6 Ų | 85.6 | 23% | 0.23 | 46% | 0.461 | C | S | . | . | trans | -60.4 | 132.6 | 169.9 | -72.4 | 172.2 | 0 | 0 | 0 | 108.3 | R66 H75 R78 H82 | R66-L80 WeakPolarHBondContact O-CD2 3.43Å; H75-L80 WeakPolarHBondContact CE1-CD1 3.43Å; H75-L80 WeakPolarHBondContact ND1-CD1 3.35Å; R78-L80 PolarHBondContact O-N 3Å; L80-H82 PolarHBondContact O-N 2.99Å | ||
| 81 | Q | 71.9 | Confident | 80 | Confident | 169 Ų | 169 | 87.2 Ų | 87.2 | 79% | 0.79 | 47% | 0.468 | S | S | * | . | trans | -57.8 | 113 | 171.1 | -79.8 | 171 | -39.4 | 0 | 0 | 107.6 | P79 | P79-Q81 PolarHBondContact O-N 2.92Š| ||
| 82 | H | 77.7 | Confident | 80.2 | Confident | 71 Ų | 71 | 89.6 Ų | 89.6 | 33% | 0.329 | 48% | 0.48 | S | S | . | . | trans | -84 | 129 | 173.3 | 177.2 | 76.6 | 0 | 0 | 0 | 107.8 | L80 G84 S86 G88 D150 | L80-H82 PolarHBondContact O-N 2.99Å; H82-G84 PolarHBondContact NE2-O 2.94Å; H82-S86 PolarHBondContact CE1-O 2.89Å; H82-S86 PolarHBondContact NE2-O 3.41Å; H82-G88 PolarHBondContact CE1-O 3.28Å; H82-G88 PolarHBondContact ND1-O 3.36Å; H82-D150 VanDerWaalsContact CA-OD2 3.29Å; H82-D150 WeakPolarHBondContact CA-OD2 3.44Å; H82-D150 VanDerWaalsContact CE1-CB 3.46Å; H82-D150 WeakPolarHBondContact CE1-CB 3.42Å; H82-D150 IonicContact CE1-OD2 3.19Å; H82-D150 IonicContact CG-OD2 3.26Å; H82-D150 IonicContact ND1-OD2 2.76Å; H82-D150 PolarHBondContact ND1-OD2 2.8Å | ||
| 83 | E | 75.2 | Confident | 80.5 | Confident | 54 Ų | 54 | 88.9 Ų | 88.9 | 25% | 0.252 | 48% | 0.477 | S | S | . | . | trans | -120.7 | 93.1 | -178.2 | -69.4 | -177.6 | 147.2 | 0 | 0 | 109.9 | R67 G148 L149 D150 R220 | R67-E83 IonicContact CZ-OE2 3.21Å; R67-E83 IonicContact NH1-OE2 3.9Å; R67-E83 PolarHBondContact NH1-OE2 3.38Å; R67-E83 IonicContact NH2-OE2 2.72Å; R67-E83 PolarHBondContact NH2-OE2 2.91Å; E83-G148 CarbonylContact O-C 3.18Å; E83-G148 WeakPolarHBondContact O-CA 3.39Å; E83-L149 PolarHBondContact O-N 2.85Å; E83-D150 PolarHBondContact N-OD2 3.49Å; E83-D150 WeakPolarHBondContact O-CB 3.46Å; E83-D150 PolarHBondContact O-N 3.18Å; E83-R220 IonicContact OE1-CZ 3.82Å; E83-R220 IonicContact OE1-NH1 2.79Å; E83-R220 PolarHBondContact OE1-NH1 3.4Å; E83-R220 IonicContact OE1-NH2 3.64Å; E83-R220 IonicContact OE2-CZ 3.75Å; E83-R220 IonicContact OE2-NH1 3.78Å; E83-R220 PolarHBondContact OE2-NH1 2.81Å; E83-R220 IonicContact OE2-NH2 2.57Å; E83-R220 PolarHBondContact OE2-NH2 3.45Å | ||
| 84 | G | 75 | Confident | 80.8 | Confident | 31 Ų | 31 | 87 Ų | 87 | 32% | 0.32 | 45% | 0.454 | S | S | . | . | S | Bend | trans | 159.3 | -177.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | H82 D151 | H82-G84 PolarHBondContact NE2-O 2.94Å; G84-D151 VanDerWaalsContact CA-CG 3.45Å; G84-D151 WeakPolarHBondContact CA-OD1 3.23Å; G84-D151 WeakPolarHBondContact CA-OD2 3.12Å |
| 85 | E | 76.9 | Confident | 81.2 | Confident | 117 Ų | 117 | 86.2 Ų | 86.2 | 55% | 0.547 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -106.4 | -19.3 | 173.2 | -60.5 | -170 | 164.6 | 0 | 0 | 112.3 | D151 | E85-D151 PolarHBondContact N-OD1 2.78Å; E85-D151 VanDerWaalsContact N-OD1 3.09Å; E85-D151 PolarHBondContact N-OD2 3.35Å |
| 86 | S | 76.8 | Confident | 81.7 | Confident | 45 Ų | 45 | 85 Ų | 85 | 32% | 0.315 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -79.9 | 167.4 | -178.3 | 79.1 | 0 | 0 | 0 | 0 | 112.1 | H82 G88 D151 | H82-S86 PolarHBondContact CE1-O 2.89Å; H82-S86 PolarHBondContact NE2-O 3.41Å; S86-G88 PolarHBondContact O-N 3.25Å; S86-G88 PolarHBondContact OG-N 2.91Å; S86-G88 VanDerWaalsContact OG-N 3.13Å; S86-D151 WeakPolarHBondContact CA-OD1 3.1Å; S86-D151 WeakPolarHBondContact CB-OD1 3.42Å; S86-D151 PolarHBondContact N-OD1 3.33Å; S86-D151 PolarHBondContact OG-OD1 3.31Å |
| 87 | K | 79.5 | Confident | 82.3 | Confident | 214 Ų | 214 | 82.3 Ų | 82.3 | 93% | 0.93 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -81.8 | -3.1 | 169.7 | -65.3 | -177 | 179.7 | 177.3 | 0 | 112.8 | ||
| 88 | G | 81.4 | Confident | 83 | Confident | 33 Ų | 33 | 78.8 Ų | 78.8 | 34% | 0.34 | 40% | 0.4 | S | S | . | . | trans | -63.5 | 167.8 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | H82 S86 D150 | H82-G88 PolarHBondContact CE1-O 3.28Å; H82-G88 PolarHBondContact ND1-O 3.36Å; S86-G88 PolarHBondContact O-N 3.25Å; S86-G88 PolarHBondContact OG-N 2.91Å; S86-G88 VanDerWaalsContact OG-N 3.13Å; G88-D150 CarbonylContact C-O 3.28Å; G88-D150 VanDerWaalsContact C-O 3.28Å | ||
| 89 | R | 85.2 | Confident | 84.1 | Confident | 130 Ų | 130 | 75.2 Ų | 75.2 | 49% | 0.491 | 39% | 0.392 | S | S | . | . | trans | -141.9 | 142.6 | 171.4 | -68.8 | -173 | -178.8 | -97.6 | -1.3 | 108.6 | T91 D150 | R89-T91 WeakPolarHBondContact O-CG2 3.28Å; R89-T91 PolarHBondContact O-N 2.97Å; R89-D150 PolarHBondContact N-O 3.3Å | ||
| 90 | L | 86.3 | Confident | 85.4 | Confident | 25 Ų | 25 | 73.8 Ų | 73.8 | 13% | 0.131 | 38% | 0.377 | C | S | . | . | trans | -65 | 127.7 | 167 | -169.1 | 145.1 | 0 | 0 | 0 | 108.4 | L71 H94 I95 L149 D150 M152 | L71-L90 HydrophobicContact CD1-CD2 4.37Å; L71-L90 HydrophobicContact CD2-CD2 3.46Å; L71-L90 VanDerWaalsContact CD2-CD2 3.46Å; L71-L90 VanDerWaalsContact CD2-O 3.28Å; L71-L90 WeakPolarHBondContact CD2-O 3.37Å; L90-H94 HydrophobicContact CG-CB 4.08Å; L90-I95 HydrophobicContact CD2-CD1 3.93Å; L90-I95 HydrophobicContact CD2-CG1 3.84Å; L90-L149 HydrophobicContact CD1-CD1 4.22Å; L90-L149 HydrophobicContact CD1-CD2 3.56Å; L90-L149 HydrophobicContact CD1-CG 3.53Å; L90-D150 WeakPolarHBondContact CB-OD1 3.44Å; L90-D150 PolarHBondContact N-OD1 3.3Å; L90-M152 HydrophobicContact CD1-SD 4.36Å | ||
| 91 | T | 90.7 | Very high | 86.7 | Confident | 46 Ų | 46 | 72.5 Ų | 72.5 | 28% | 0.282 | 37% | 0.371 | S | S | . | . | trans | -117.6 | 166.6 | -179.9 | 66.6 | 0 | 0 | 0 | 0 | 110.1 | R89 I93 H94 | R89-T91 WeakPolarHBondContact O-CG2 3.28Å; R89-T91 PolarHBondContact O-N 2.97Å; T91-I93 PolarHBondContact O-N 3.09Å; T91-I93 VanDerWaalsContact O-N 3.16Å; T91-I93 PolarHBondContact OG1-N 3.33Å; T91-H94 PolarHBondContact N-ND1 3.44Å; T91-H94 VanDerWaalsContact N-ND1 3.13Å; T91-H94 WeakPolarHBondContact O-CB 3.32Å; T91-H94 PolarHBondContact O-N 3.5Å; T91-H94 PolarHBondContact OG1-ND1 3.45Å | ||
| 92 | L | 92 | Very high | 87.8 | Confident | 82 Ų | 82 | 65.2 Ų | 65.2 | 43% | 0.429 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56.8 | -30.7 | 174.6 | -170.9 | 62.9 | 0 | 0 | 0 | 112.5 | H94 I95 L96 | L92-H94 VanDerWaalsContact C-N 3.3Å; L92-H94 PolarHBondContact O-N 3.22Å; L92-I95 PolarHBondContact O-N 2.91Å; L92-I95 VanDerWaalsContact O-N 3.16Å; L92-L96 HydrophobicContact CG-CD1 4.15Å; L92-L96 HydrophobicContact CG-CG 4.3Å; L92-L96 WeakPolarHBondContact O-CG 3.3Å; L92-L96 PolarHBondContact O-N 3.31Å |
| 93 | I | 93.8 | Very high | 88.7 | Confident | 90 Ų | 90 | 65.2 Ų | 65.2 | 46% | 0.462 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61 | -40.1 | 177 | -60.5 | 172.8 | 0 | 0 | 0 | 110.9 | T91 I95 L96 L97 Y154 | T91-I93 PolarHBondContact O-N 3.09Å; T91-I93 VanDerWaalsContact O-N 3.16Å; T91-I93 PolarHBondContact OG1-N 3.33Å; I93-I95 VanDerWaalsContact C-N 3.33Å; I93-I95 PolarHBondContact O-N 2.84Å; I93-L96 PolarHBondContact O-N 3.24Å; I93-L97 HydrophobicContact CG2-CD1 3.95Å; I93-L97 HydrophobicContact CG2-CG 4.23Å; I93-L97 WeakPolarHBondContact O-CB 3.18Å; I93-L97 VanDerWaalsContact O-CG 3.24Å; I93-L97 WeakPolarHBondContact O-CG 3.22Å; I93-L97 PolarHBondContact O-N 3.1Å; I93-Y154 HydrophobicContact CB-CE1 3.88Å; I93-Y154 HydrophobicContact CG2-CD1 4.03Å; I93-Y154 HydrophobicContact CG2-CE1 3.63Å |
| 94 | H | 92.3 | Very high | 89.8 | Confident | 14 Ų | 14 | 66 Ų | 66 | 7% | 0.065 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.7 | -44.5 | 175.9 | -64.8 | 86.9 | 0 | 0 | 0 | 111.3 | L90 T91 L92 L97 G98 M152 Y154 A157 | L90-H94 HydrophobicContact CG-CB 4.08Å; T91-H94 PolarHBondContact N-ND1 3.44Å; T91-H94 VanDerWaalsContact N-ND1 3.13Å; T91-H94 WeakPolarHBondContact O-CB 3.32Å; T91-H94 PolarHBondContact O-N 3.5Å; T91-H94 PolarHBondContact OG1-ND1 3.45Å; L92-H94 VanDerWaalsContact C-N 3.3Å; L92-H94 PolarHBondContact O-N 3.22Å; H94-L97 PolarHBondContact O-N 2.96Å; H94-G98 PolarHBondContact O-N 2.59Å; H94-M152 PolarHBondContact CD2-O 3.34Å; H94-M152 PolarHBondContact NE2-O 2.93Å; H94-Y154 AromaticContact CD2-CD1 3.5Å; H94-Y154 VanDerWaalsContact CD2-CD1 3.5Å; H94-Y154 WeakPolarHBondContact CD2-CD1 3.25Å; H94-Y154 AromaticContact CD2-CE1 3.86Å; H94-Y154 AromaticContact CE1-CD1 3.57Å; H94-Y154 AromaticContact CE1-CE1 3.13Å; H94-Y154 WeakPolarHBondContact CE1-CE1 3.38Å; H94-Y154 AromaticContact CE1-CZ 3.96Å; H94-Y154 AromaticContact CG-CD1 3.84Å; H94-Y154 AromaticContact CG-CE1 3.86Å; H94-Y154 AromaticContact ND1-CD1 3.86Å; H94-Y154 AromaticContact ND1-CE1 3.41Å; H94-Y154 WeakPolarHBondContact ND1-CE1 3.31Å; H94-Y154 AromaticContact NE2-CD1 3.27Å; H94-Y154 VanDerWaalsContact NE2-CD1 3.27Å; H94-Y154 WeakPolarHBondContact NE2-CD1 3.49Å; H94-Y154 AromaticContact NE2-CE1 3.37Å; H94-Y154 WeakPolarHBondContact NE2-CE1 3.44Å; H94-A157 HydrophobicContact CB-CB 4.03Å; H94-A157 WeakPolarHBondContact O-CB 3.33Å |
| 95 | I | 93 | Very high | 90.8 | Very high | 62 Ų | 62 | 67.5 Ų | 67.5 | 32% | 0.318 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64 | -47.1 | 179.5 | -59.6 | 178.3 | 0 | 0 | 0 | 110.3 | L71 L90 L92 I93 L97 G98 M99 | L71-I95 HydrophobicContact CD1-CD1 3.52Å; L71-I95 HydrophobicContact CD2-CD1 4.36Å; L90-I95 HydrophobicContact CD2-CD1 3.93Å; L90-I95 HydrophobicContact CD2-CG1 3.84Å; L92-I95 PolarHBondContact O-N 2.91Å; L92-I95 VanDerWaalsContact O-N 3.16Å; I93-I95 VanDerWaalsContact C-N 3.33Å; I93-I95 PolarHBondContact O-N 2.84Å; I95-L97 PolarHBondContact O-N 2.79Å; I95-G98 PolarHBondContact O-N 2.98Å; I95-M99 HydrophobicContact CG2-CG 4.42Å; I95-M99 HydrophobicContact CG2-SD 3.85Å; I95-M99 WeakPolarHBondContact O-CG 3.38Å; I95-M99 PolarHBondContact O-N 3.17Å |
| 96 | L | 95.5 | Very high | 91.7 | Very high | 88 Ų | 88 | 62.8 Ų | 62.8 | 46% | 0.461 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 178.8 | -68.2 | 174.4 | 0 | 0 | 0 | 111.5 | L92 I93 G98 M99 I100 | L92-L96 HydrophobicContact CG-CD1 4.15Å; L92-L96 HydrophobicContact CG-CG 4.3Å; L92-L96 WeakPolarHBondContact O-CG 3.3Å; L92-L96 PolarHBondContact O-N 3.31Å; I93-L96 PolarHBondContact O-N 3.24Å; L96-G98 VanDerWaalsContact C-N 3.28Å; L96-G98 PolarHBondContact O-N 2.81Å; L96-M99 PolarHBondContact O-N 3.36Å; L96-M99 VanDerWaalsContact O-N 3.1Å; L96-I100 WeakPolarHBondContact O-CD1 2.89Å; L96-I100 WeakPolarHBondContact O-CG1 3.48Å; L96-I100 PolarHBondContact O-N 2.94Å |
| 97 | L | 94.6 | Very high | 92.6 | Very high | 45 Ų | 45 | 67.1 Ų | 67.1 | 24% | 0.236 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.2 | -37.3 | 176 | -74.6 | 174.8 | 0 | 0 | 0 | 112.7 | I93 H94 I95 P101 Y154 A157 | I93-L97 HydrophobicContact CG2-CD1 3.95Å; I93-L97 HydrophobicContact CG2-CG 4.23Å; I93-L97 WeakPolarHBondContact O-CB 3.18Å; I93-L97 VanDerWaalsContact O-CG 3.24Å; I93-L97 WeakPolarHBondContact O-CG 3.22Å; I93-L97 PolarHBondContact O-N 3.1Å; H94-L97 PolarHBondContact O-N 2.96Å; I95-L97 PolarHBondContact O-N 2.79Å; L97-P101 VanDerWaalsContact O-CD 3.28Å; L97-P101 WeakPolarHBondContact O-CD 3.28Å; L97-Y154 HydrophobicContact CD1-CD1 3.79Å; L97-Y154 HydrophobicContact CD1-CG 3.93Å; L97-A157 HydrophobicContact CB-CB 4.38Å |
| 98 | G | 92.6 | Very high | 93.4 | Very high | 8 Ų | 8 | 62.8 Ų | 62.8 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -69.7 | -34 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | H94 I95 L96 A157 G161 Q164 | H94-G98 PolarHBondContact O-N 2.59Å; I95-G98 PolarHBondContact O-N 2.98Å; L96-G98 VanDerWaalsContact C-N 3.28Å; L96-G98 PolarHBondContact O-N 2.81Å; G98-A157 VanDerWaalsContact CA-O 3.3Å; G98-A157 WeakPolarHBondContact CA-O 3.29Å; G98-G161 WeakPolarHBondContact O-CA 3.4Å; G98-Q164 PolarHBondContact O-OE1 2.63Å |
| 99 | M | 95.5 | Very high | 94.1 | Very high | 95 Ų | 95 | 66.1 Ų | 66.1 | 47% | 0.468 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -78.3 | -35 | -179.1 | -70.1 | 176 | 65.4 | 0 | 0 | 113.4 | I95 L96 A102 V103 | I95-M99 HydrophobicContact CG2-CG 4.42Å; I95-M99 HydrophobicContact CG2-SD 3.85Å; I95-M99 WeakPolarHBondContact O-CG 3.38Å; I95-M99 PolarHBondContact O-N 3.17Å; L96-M99 PolarHBondContact O-N 3.36Å; L96-M99 VanDerWaalsContact O-N 3.1Å; M99-A102 PolarHBondContact O-N 3.21Å; M99-V103 HydrophobicContact CB-CG2 4.43Å; M99-V103 WeakPolarHBondContact O-CB 2.9Å; M99-V103 WeakPolarHBondContact O-CG2 3.4Å; M99-V103 PolarHBondContact O-N 3.38Å |
| 100 | I | 96.9 | Very high | 94.4 | Very high | 86 Ų | 86 | 65.1 Ų | 65.1 | 44% | 0.441 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -52.8 | -52.6 | -169.6 | -78 | 159.7 | 0 | 0 | 0 | 113 | L96 A102 V103 V104 | L96-I100 WeakPolarHBondContact O-CD1 2.89Å; L96-I100 WeakPolarHBondContact O-CG1 3.48Å; L96-I100 PolarHBondContact O-N 2.94Å; I100-A102 PolarHBondContact O-N 3.33Å; I100-V103 PolarHBondContact O-N 3.15Å; I100-V104 HydrophobicContact CG2-CG2 4.21Å; I100-V104 WeakPolarHBondContact O-CB 3.24Å; I100-V104 VanDerWaalsContact O-CG2 3.24Å; I100-V104 WeakPolarHBondContact O-CG2 3.43Å; I100-V104 PolarHBondContact O-N 2.94Å |
| 101 | P | 97.1 | Very high | 94.7 | Very high | 17 Ų | 17 | 70 Ų | 70 | 11% | 0.11 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.1 | -45.4 | -175.6 | -24.4 | 35.2 | 0 | 0 | 0 | 112.8 | L97 V104 L105 F158 | L97-P101 VanDerWaalsContact O-CD 3.28Å; L97-P101 WeakPolarHBondContact O-CD 3.28Å; P101-V104 PolarHBondContact O-N 2.99Å; P101-L105 WeakPolarHBondContact O-CG 3.24Å; P101-L105 PolarHBondContact O-N 3.15Å; P101-F158 HydrophobicContact CG-CD2 4.1Å; P101-F158 HydrophobicContact CG-CE2 3.74Å; P101-F158 HydrophobicContact CG-CZ 4.32Å |
| 102 | A | 95.4 | Very high | 94.7 | Very high | 16 Ų | 16 | 71.8 Ų | 71.8 | 13% | 0.132 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.2 | -40.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | M99 I100 G106 Q164 | M99-A102 PolarHBondContact O-N 3.21Å; I100-A102 PolarHBondContact O-N 3.33Å; A102-G106 WeakPolarHBondContact O-CA 3.29Å; A102-G106 PolarHBondContact O-N 3.01Å; A102-Q164 HydrophobicContact CB-CB 4.26Å |
| 103 | V | 96.8 | Very high | 94.7 | Very high | 72 Ų | 72 | 69.2 Ų | 69.2 | 44% | 0.436 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.7 | -47.5 | 175.6 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | M99 I100 G106 L107 | M99-V103 HydrophobicContact CB-CG2 4.43Å; M99-V103 WeakPolarHBondContact O-CB 2.9Å; M99-V103 WeakPolarHBondContact O-CG2 3.4Å; M99-V103 PolarHBondContact O-N 3.38Å; I100-V103 PolarHBondContact O-N 3.15Å; V103-G106 PolarHBondContact O-N 3.48Å; V103-L107 HydrophobicContact CG1-CD1 4.01Å; V103-L107 HydrophobicContact CG1-CG 4.48Å; V103-L107 VanDerWaalsContact O-CG 3.28Å; V103-L107 WeakPolarHBondContact O-CG 3.41Å; V103-L107 PolarHBondContact O-N 3.38Å |
| 104 | V | 97.7 | Very high | 94.3 | Very high | 70 Ų | 70 | 71.3 Ų | 71.3 | 42% | 0.424 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61 | -50.3 | -179.3 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | I100 P101 L107 L108 | I100-V104 HydrophobicContact CG2-CG2 4.21Å; I100-V104 WeakPolarHBondContact O-CB 3.24Å; I100-V104 VanDerWaalsContact O-CG2 3.24Å; I100-V104 WeakPolarHBondContact O-CG2 3.43Å; I100-V104 PolarHBondContact O-N 2.94Å; P101-V104 PolarHBondContact O-N 2.99Å; V104-L107 PolarHBondContact O-N 3.41Å; V104-L108 HydrophobicContact CG1-CD1 3.8Å; V104-L108 HydrophobicContact CG1-CG 4.47Å; V104-L108 WeakPolarHBondContact O-CB 3.17Å; V104-L108 VanDerWaalsContact O-CG 3.27Å; V104-L108 WeakPolarHBondContact O-CG 3.35Å; V104-L108 PolarHBondContact O-N 2.94Å |
| 105 | L | 97.1 | Very high | 94.1 | Very high | 63 Ų | 63 | 74.7 Ų | 74.7 | 33% | 0.33 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.4 | -36 | 178.8 | -65.7 | -176 | 0 | 0 | 0 | 112.2 | P101 L107 L108 F109 C165 L168 | P101-L105 WeakPolarHBondContact O-CG 3.24Å; P101-L105 PolarHBondContact O-N 3.15Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 3.38Å; L105-L108 PolarHBondContact O-N 3.23Å; L105-F109 HydrophobicContact CB-CD2 4.27Å; L105-F109 HydrophobicContact CD2-CD2 4.06Å; L105-F109 HydrophobicContact CD2-CE2 3.67Å; L105-F109 WeakPolarHBondContact O-CB 3.38Å; L105-F109 WeakPolarHBondContact O-CD2 3.44Å; L105-F109 PolarHBondContact O-N 3.07Å; L105-C165 HydrophobicContact CD1-CB 3.84Å; L105-C165 VanDerWaalsContact CD1-SG 3.59Å; L105-L168 HydrophobicContact CB-CD1 3.55Å |
| 106 | G | 95.4 | Very high | 93.9 | Very high | 18 Ų | 18 | 74.3 Ų | 74.3 | 19% | 0.186 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.6 | -38.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A102 V103 H110 | A102-G106 WeakPolarHBondContact O-CA 3.29Å; A102-G106 PolarHBondContact O-N 3.01Å; V103-G106 PolarHBondContact O-N 3.48Å; G106-H110 WeakPolarHBondContact O-CA 3.28Å; G106-H110 PolarHBondContact O-N 2.82Å |
| 107 | L | 95.8 | Very high | 93.2 | Very high | 135 Ų | 135 | 75.1 Ų | 75.1 | 71% | 0.707 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -74.1 | -41.6 | 175.9 | -67.7 | 175.1 | 0 | 0 | 0 | 112.2 | V103 V104 L105 | V103-L107 HydrophobicContact CG1-CD1 4.01Å; V103-L107 HydrophobicContact CG1-CG 4.48Å; V103-L107 VanDerWaalsContact O-CG 3.28Å; V103-L107 WeakPolarHBondContact O-CG 3.41Å; V103-L107 PolarHBondContact O-N 3.38Å; V104-L107 PolarHBondContact O-N 3.41Å; L105-L107 VanDerWaalsContact C-N 3.29Å; L105-L107 PolarHBondContact O-N 3.38Å |
| 108 | L | 96.6 | Very high | 92.6 | Very high | 123 Ų | 123 | 75.7 Ų | 75.7 | 64% | 0.644 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -69.5 | -34.8 | -179 | -71.3 | 173.9 | 0 | 0 | 0 | 113.1 | V104 L105 | V104-L108 HydrophobicContact CG1-CD1 3.8Å; V104-L108 HydrophobicContact CG1-CG 4.47Å; V104-L108 WeakPolarHBondContact O-CB 3.17Å; V104-L108 VanDerWaalsContact O-CG 3.27Å; V104-L108 WeakPolarHBondContact O-CG 3.35Å; V104-L108 PolarHBondContact O-N 2.94Å; L105-L108 PolarHBondContact O-N 3.23Å |
| 109 | F | 95.2 | Very high | 92.2 | Very high | 104 Ų | 104 | 77.5 Ų | 77.5 | 46% | 0.456 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | 24.5 | -173.9 | -63.8 | -79.5 | 0 | 0 | 0 | 113 | L105 D111 T112 I113 | L105-F109 HydrophobicContact CB-CD2 4.27Å; L105-F109 HydrophobicContact CD2-CD2 4.06Å; L105-F109 HydrophobicContact CD2-CE2 3.67Å; L105-F109 WeakPolarHBondContact O-CB 3.38Å; L105-F109 WeakPolarHBondContact O-CD2 3.44Å; L105-F109 PolarHBondContact O-N 3.07Å; F109-D111 PolarHBondContact O-N 3.3Å; F109-T112 WeakPolarHBondContact O-CB 3.25Å; F109-T112 PolarHBondContact O-N 2.91Å; F109-T112 VanDerWaalsContact O-N 3.15Å; F109-I113 HydrophobicContact CB-CD1 4.16Å; F109-I113 HydrophobicContact CB-CG1 4.38Å; F109-I113 VanDerWaalsContact O-CG1 3.3Å; F109-I113 WeakPolarHBondContact O-CG1 3.44Å; F109-I113 PolarHBondContact O-N 3.49Å |
| 110 | H | 92.4 | Very high | 91.9 | Very high | 109 Ų | 109 | 77.6 Ų | 77.6 | 51% | 0.505 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -50.4 | -50.6 | -174.9 | -179.8 | 73.6 | 0 | 0 | 0 | 113.4 | G106 I113 K114 | G106-H110 WeakPolarHBondContact O-CA 3.28Å; G106-H110 PolarHBondContact O-N 2.82Å; H110-I113 PolarHBondContact O-N 3.09Å; H110-K114 WeakPolarHBondContact O-CB 3.31Å; H110-K114 PolarHBondContact O-N 3.44Å |
| 111 | D | 91.7 | Very high | 91.6 | Very high | 128 Ų | 128 | 75.5 Ų | 75.5 | 68% | 0.684 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -67.3 | -39.4 | -177.7 | -64.4 | -43.9 | 0 | 0 | 0 | 112.1 | F109 K114 S115 | F109-D111 PolarHBondContact O-N 3.3Å; D111-K114 WeakPolarHBondContact O-CB 3.37Å; D111-K114 PolarHBondContact O-N 2.84Å; D111-S115 PolarHBondContact O-N 3.35Å |
| 112 | T | 92.4 | Very high | 91.3 | Very high | 82 Ų | 82 | 74.7 Ų | 74.7 | 50% | 0.503 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 175.2 | -52 | 0 | 0 | 0 | 0 | 110.6 | F109 K114 S115 L116 | F109-T112 WeakPolarHBondContact O-CB 3.25Å; F109-T112 PolarHBondContact O-N 2.91Å; F109-T112 VanDerWaalsContact O-N 3.15Å; T112-K114 VanDerWaalsContact C-N 3.3Å; T112-K114 PolarHBondContact O-N 3.07Å; T112-S115 WeakPolarHBondContact O-CB 3.34Å; T112-S115 PolarHBondContact O-N 3.25Å; T112-S115 VanDerWaalsContact O-N 3.16Å; T112-S115 PolarHBondContact O-OG 3.25Å; T112-L116 PolarHBondContact O-N 3.03Å |
| 113 | I | 90.1 | Very high | 91.1 | Very high | 29 Ų | 29 | 79.2 Ų | 79.2 | 15% | 0.149 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 177.7 | -67.2 | 161.8 | 0 | 0 | 0 | 110.2 | F109 H110 S115 L116 F117 L168 P170 | F109-I113 HydrophobicContact CB-CD1 4.16Å; F109-I113 HydrophobicContact CB-CG1 4.38Å; F109-I113 VanDerWaalsContact O-CG1 3.3Å; F109-I113 WeakPolarHBondContact O-CG1 3.44Å; F109-I113 PolarHBondContact O-N 3.49Å; H110-I113 PolarHBondContact O-N 3.09Å; I113-S115 VanDerWaalsContact C-N 3.26Å; I113-S115 PolarHBondContact O-N 3.15Å; I113-L116 WeakPolarHBondContact O-CB 3.47Å; I113-L116 PolarHBondContact O-N 3.25Å; I113-F117 HydrophobicContact CG2-CE2 3.97Å; I113-F117 VanDerWaalsContact O-CD2 3.29Å; I113-F117 WeakPolarHBondContact O-CD2 3.33Å; I113-L168 HydrophobicContact CD1-CB 3.96Å; I113-L168 HydrophobicContact CD1-CD1 4.32Å; I113-L168 HydrophobicContact CD1-CD2 4.25Å; I113-L168 HydrophobicContact CD1-CG 4.41Å; I113-L168 HydrophobicContact CG1-CB 4.36Å; I113-L168 VanDerWaalsContact CG2-O 3.31Å; I113-L168 WeakPolarHBondContact CG2-O 3.47Å; I113-P170 HydrophobicContact CG2-CG 4.37Å |
| 114 | K | 87.3 | Confident | 90.9 | Very high | 134 Ų | 134 | 82.6 Ų | 82.6 | 58% | 0.583 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -58.7 | -37.9 | 176.7 | -165.7 | 175.6 | -177.8 | 178 | 0 | 112.3 | H110 D111 T112 L116 F117 | H110-K114 WeakPolarHBondContact O-CB 3.31Å; H110-K114 PolarHBondContact O-N 3.44Å; D111-K114 WeakPolarHBondContact O-CB 3.37Å; D111-K114 PolarHBondContact O-N 2.84Å; T112-K114 VanDerWaalsContact C-N 3.3Å; T112-K114 PolarHBondContact O-N 3.07Å; K114-L116 PolarHBondContact O-N 2.99Å; K114-F117 PolarHBondContact O-N 3.44Å |
| 115 | S | 88.2 | Confident | 90.8 | Very high | 85 Ų | 85 | 79.3 Ų | 79.3 | 59% | 0.594 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -65.4 | -20.6 | 176.8 | 81.1 | 0 | 0 | 0 | 0 | 113.7 | D111 T112 I113 | D111-S115 PolarHBondContact O-N 3.35Å; T112-S115 WeakPolarHBondContact O-CB 3.34Å; T112-S115 PolarHBondContact O-N 3.25Å; T112-S115 VanDerWaalsContact O-N 3.16Å; T112-S115 PolarHBondContact O-OG 3.25Å; I113-S115 VanDerWaalsContact C-N 3.26Å; I113-S115 PolarHBondContact O-N 3.15Å |
| 116 | L | 87.3 | Confident | 90.6 | Very high | 53 Ų | 53 | 78.2 Ų | 78.2 | 28% | 0.277 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -6.3 | 179.5 | -60.6 | 174.9 | 0 | 0 | 0 | 113.5 | T112 I113 K114 N118 N121 P170 | T112-L116 PolarHBondContact O-N 3.03Å; I113-L116 WeakPolarHBondContact O-CB 3.47Å; I113-L116 PolarHBondContact O-N 3.25Å; K114-L116 PolarHBondContact O-N 2.99Å; L116-N118 PolarHBondContact O-N 3.41Å; L116-N121 WeakPolarHBondContact O-CB 3.41Å; L116-P170 HydrophobicContact CB-CG 3.93Å |
| 117 | F | 81.7 | Confident | 90.6 | Very high | 106 Ų | 106 | 81.6 Ų | 81.6 | 47% | 0.465 | 42% | 0.417 | S | S | . | . | trans | -77.4 | 65.2 | 178.5 | -78.1 | -93.3 | 0 | 0 | 0 | 112.5 | I113 K114 P170 | I113-F117 HydrophobicContact CG2-CE2 3.97Å; I113-F117 VanDerWaalsContact O-CD2 3.29Å; I113-F117 WeakPolarHBondContact O-CD2 3.33Å; K114-F117 PolarHBondContact O-N 3.44Å; F117-P170 HydrophobicContact CD1-CB 3.88Å; F117-P170 HydrophobicContact CD1-CG 4.06Å; F117-P170 HydrophobicContact CD2-CB 4.25Å; F117-P170 HydrophobicContact CD2-CG 3.52Å; F117-P170 HydrophobicContact CE1-CB 3.91Å; F117-P170 HydrophobicContact CE1-CG 4.03Å; F117-P170 HydrophobicContact CE2-CB 4.32Å; F117-P170 HydrophobicContact CE2-CG 3.52Å; F117-P170 HydrophobicContact CG-CB 4.07Å; F117-P170 HydrophobicContact CG-CG 3.83Å; F117-P170 HydrophobicContact CZ-CB 4.14Å; F117-P170 HydrophobicContact CZ-CG 3.77Å | ||
| 118 | N | 82.2 | Confident | 90.6 | Very high | 57 Ų | 57 | 78.3 Ų | 78.3 | 31% | 0.305 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -126.9 | 155 | 163.8 | 80.1 | -28 | 0 | 0 | 0 | 110.8 | L116 I120 N121 V122 | L116-N118 PolarHBondContact O-N 3.41Å; N118-I120 PolarHBondContact O-N 3.47Å; N118-I120 VanDerWaalsContact O-N 3.16Å; N118-N121 PolarHBondContact O-N 3.5Å; N118-N121 WeakPolarHBondContact OD1-CB 3.49Å; N118-N121 PolarHBondContact OD1-N 2.85Å; N118-N121 PolarHBondContact OD1-ND2 3.33Å; N118-N121 PolarHBondContact OD1-OD1 3.41Å; N118-V122 WeakPolarHBondContact O-CG2 3.49Å; N118-V122 PolarHBondContact O-N 3.43Å; N118-V122 VanDerWaalsContact O-N 3.12Å |
| 119 | P | 83.8 | Confident | 90.5 | Very high | 46 Ų | 46 | 72.9 Ų | 72.9 | 30% | 0.299 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -56 | -35.2 | -177.4 | -28.9 | 36.2 | 0 | 0 | 0 | 114 | I32 V122 M123 | I32-P119 HydrophobicContact CG2-CG 4.42Å; P119-V122 WeakPolarHBondContact O-CB 3.35Å; P119-V122 PolarHBondContact O-N 2.96Å; P119-M123 VanDerWaalsContact O-CG 3.32Å; P119-M123 WeakPolarHBondContact O-CG 3.37Å; P119-M123 PolarHBondContact O-N 3.34Å |
| 120 | I | 89.2 | Confident | 90.4 | Very high | 96 Ų | 96 | 69.4 Ų | 69.4 | 49% | 0.492 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66 | -47.3 | -179.1 | -63.1 | 170.3 | 0 | 0 | 0 | 111.3 | N118 V122 M123 Y124 | N118-I120 PolarHBondContact O-N 3.47Å; N118-I120 VanDerWaalsContact O-N 3.16Å; I120-V122 VanDerWaalsContact C-N 3.28Å; I120-V122 PolarHBondContact O-N 3.43Å; I120-M123 WeakPolarHBondContact O-CB 3.39Å; I120-M123 PolarHBondContact O-N 2.71Å; I120-Y124 HydrophobicContact CG2-CD2 4.05Å; I120-Y124 HydrophobicContact CG2-CE2 3.51Å; I120-Y124 WeakPolarHBondContact O-CD2 3.49Å; I120-Y124 PolarHBondContact O-N 3.46Å; I120-Y124 VanDerWaalsContact O-N 3.09Å |
| 121 | N | 90.5 | Very high | 90.6 | Very high | 42 Ų | 42 | 69.2 Ų | 69.2 | 23% | 0.225 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.5 | -34.7 | 178 | -67.4 | -16.8 | 0 | 0 | 0 | 111.4 | L116 N118 Y124 A125 W169 | L116-N121 WeakPolarHBondContact O-CB 3.41Å; N118-N121 PolarHBondContact O-N 3.5Å; N118-N121 WeakPolarHBondContact OD1-CB 3.49Å; N118-N121 PolarHBondContact OD1-N 2.85Å; N118-N121 PolarHBondContact OD1-ND2 3.33Å; N118-N121 PolarHBondContact OD1-OD1 3.41Å; N121-Y124 PolarHBondContact O-N 3.04Å; N121-A125 PolarHBondContact O-N 3.22Å; N121-W169 PolarHBondContact O-NE1 3.47Å |
| 122 | V | 90.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.4 | -44 | 173.6 | 167.7 | 0 | 0 | 0 | 0 | 111.1 | G29 I32 N118 P119 I120 Y124 A125 L126 P170 | G29-V122 VanDerWaalsContact CA-CG1 3.46Å; I32-V122 HydrophobicContact CD1-CG2 3.92Å; N118-V122 WeakPolarHBondContact O-CG2 3.49Å; N118-V122 PolarHBondContact O-N 3.43Å; N118-V122 VanDerWaalsContact O-N 3.12Å; P119-V122 WeakPolarHBondContact O-CB 3.35Å; P119-V122 PolarHBondContact O-N 2.96Å; I120-V122 VanDerWaalsContact C-N 3.28Å; I120-V122 PolarHBondContact O-N 3.43Å; V122-Y124 VanDerWaalsContact C-N 3.34Å; V122-Y124 PolarHBondContact O-N 3.37Å; V122-A125 WeakPolarHBondContact O-CB 3.46Å; V122-A125 PolarHBondContact O-N 2.97Å; V122-L126 HydrophobicContact CG1-CD1 4.34Å; V122-L126 WeakPolarHBondContact O-CG 3.44Å; V122-L126 PolarHBondContact O-N 3.05Å; V122-P170 HydrophobicContact CG2-CB 4.26Å |
| 123 | M | 90.5 | Very high | 90.6 | Very high | 111 Ų | 111 | 63 Ų | 63 | 55% | 0.547 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.6 | -44.6 | 175.4 | -74.6 | 176.4 | 65.8 | 0 | 0 | 111.8 | I33 P119 I120 A125 L126 V127 | I33-M123 HydrophobicContact CD1-CG 4.4Å; P119-M123 VanDerWaalsContact O-CG 3.32Å; P119-M123 WeakPolarHBondContact O-CG 3.37Å; P119-M123 PolarHBondContact O-N 3.34Å; I120-M123 WeakPolarHBondContact O-CB 3.39Å; I120-M123 PolarHBondContact O-N 2.71Å; M123-A125 VanDerWaalsContact C-N 3.34Å; M123-A125 PolarHBondContact O-N 2.96Å; M123-L126 PolarHBondContact O-N 3.13Å; M123-V127 WeakPolarHBondContact O-CG2 3.45Å; M123-V127 PolarHBondContact O-N 3.43Å; M123-V127 VanDerWaalsContact O-N 3.08Å |
| 124 | Y | 94.1 | Very high | 90.7 | Very high | 144 Ų | 144 | 66.6 Ų | 66.6 | 57% | 0.565 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.3 | -41.1 | 175 | -69 | -46 | 0 | 0 | 0 | 112 | I120 N121 V122 L126 V127 V128 | I120-Y124 HydrophobicContact CG2-CD2 4.05Å; I120-Y124 HydrophobicContact CG2-CE2 3.51Å; I120-Y124 WeakPolarHBondContact O-CD2 3.49Å; I120-Y124 PolarHBondContact O-N 3.46Å; I120-Y124 VanDerWaalsContact O-N 3.09Å; N121-Y124 PolarHBondContact O-N 3.04Å; V122-Y124 VanDerWaalsContact C-N 3.34Å; V122-Y124 PolarHBondContact O-N 3.37Å; Y124-L126 VanDerWaalsContact C-N 3.32Å; Y124-L126 PolarHBondContact O-N 2.78Å; Y124-V127 PolarHBondContact O-N 2.9Å; Y124-V128 WeakPolarHBondContact O-CG2 3.12Å; Y124-V128 PolarHBondContact O-N 3.04Å |
| 125 | A | 94.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N121 V122 M123 G129 W169 P170 G171 F172 | N121-A125 PolarHBondContact O-N 3.22Å; V122-A125 WeakPolarHBondContact O-CB 3.46Å; V122-A125 PolarHBondContact O-N 2.97Å; M123-A125 VanDerWaalsContact C-N 3.34Å; M123-A125 PolarHBondContact O-N 2.96Å; A125-G129 PolarHBondContact O-N 2.99Å; A125-W169 HydrophobicContact CB-CD2 3.92Å; A125-W169 HydrophobicContact CB-CG 3.97Å; A125-W169 HydrophobicContact CB-CZ2 4.24Å; A125-P170 WeakPolarHBondContact CB-O 3.34Å; A125-G171 VanDerWaalsContact CB-C 3.44Å; A125-F172 HydrophobicContact CB-CB 4.25Å |
| 126 | L | 93.9 | Very high | 90.8 | Very high | 41 Ų | 41 | 58.1 Ų | 58.1 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 176.7 | -72.3 | 170.9 | 0 | 0 | 0 | 111.7 | I33 V122 M123 Y124 G130 | I33-L126 HydrophobicContact CD1-CD1 3.49Å; I33-L126 VanDerWaalsContact CD1-CD1 3.49Å; V122-L126 HydrophobicContact CG1-CD1 4.34Å; V122-L126 WeakPolarHBondContact O-CG 3.44Å; V122-L126 PolarHBondContact O-N 3.05Å; M123-L126 PolarHBondContact O-N 3.13Å; Y124-L126 VanDerWaalsContact C-N 3.32Å; Y124-L126 PolarHBondContact O-N 2.78Å; L126-G130 PolarHBondContact O-N 3.22Å |
| 127 | V | 95.2 | Very high | 90.7 | Very high | 89 Ų | 89 | 58.7 Ų | 58.7 | 54% | 0.539 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.6 | -49.9 | 177.5 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | M123 Y124 G129 G130 L131 | M123-V127 WeakPolarHBondContact O-CG2 3.45Å; M123-V127 PolarHBondContact O-N 3.43Å; M123-V127 VanDerWaalsContact O-N 3.08Å; Y124-V127 PolarHBondContact O-N 2.9Å; V127-G129 VanDerWaalsContact C-N 3.33Å; V127-G129 PolarHBondContact O-N 2.94Å; V127-G130 PolarHBondContact O-N 2.96Å; V127-L131 HydrophobicContact CG1-CD1 4.17Å; V127-L131 HydrophobicContact CG1-CG 4.49Å; V127-L131 WeakPolarHBondContact O-CG 3.46Å; V127-L131 PolarHBondContact O-N 2.9Å |
| 128 | V | 95.8 | Very high | 90.9 | Very high | 65 Ų | 65 | 58.4 Ų | 58.4 | 39% | 0.394 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.4 | -40.8 | 179.5 | 176.8 | 0 | 0 | 0 | 0 | 110.9 | Y124 L131 L132 W169 F172 | Y124-V128 WeakPolarHBondContact O-CG2 3.12Å; Y124-V128 PolarHBondContact O-N 3.04Å; V128-L131 PolarHBondContact O-N 3.44Å; V128-L132 WeakPolarHBondContact O-CB 3.3Å; V128-L132 PolarHBondContact O-N 3.42Å; V128-W169 HydrophobicContact CB-CZ3 4.44Å; V128-W169 HydrophobicContact CG1-CZ3 4.49Å; V128-W169 HydrophobicContact CG2-CH2 4.13Å; V128-W169 HydrophobicContact CG2-CZ3 4.29Å; V128-F172 HydrophobicContact CG1-CE2 4.13Å |
| 129 | G | 93.9 | Very high | 91 | Very high | 10 Ų | 10 | 61.7 Ų | 61.7 | 10% | 0.103 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.9 | -42.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | A125 V127 L132 L133 | A125-G129 PolarHBondContact O-N 2.99Å; V127-G129 VanDerWaalsContact C-N 3.33Å; V127-G129 PolarHBondContact O-N 2.94Å; G129-L132 PolarHBondContact O-N 3.17Å; G129-L133 WeakPolarHBondContact O-CG 3.49Å; G129-L133 PolarHBondContact O-N 2.98Å |
| 130 | G | 93.8 | Very high | 90.8 | Very high | 31 Ų | 31 | 62.8 Ų | 62.8 | 32% | 0.32 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L126 V127 L132 L133 I134 | L126-G130 PolarHBondContact O-N 3.22Å; V127-G130 PolarHBondContact O-N 2.96Å; G130-L132 VanDerWaalsContact C-N 3.31Å; G130-L132 PolarHBondContact O-N 3.06Å; G130-L133 PolarHBondContact O-N 3.43Å; G130-I134 WeakPolarHBondContact O-CG1 3.44Å; G130-I134 PolarHBondContact O-N 2.8Å; G130-I134 VanDerWaalsContact O-N 3.07Å |
| 131 | L | 95.5 | Very high | 90 | Very high | 104 Ų | 104 | 62 Ų | 62 | 55% | 0.545 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.4 | -38.1 | 174.5 | -69.2 | 177.2 | 0 | 0 | 0 | 112 | V127 V128 L133 I134 A135 | V127-L131 HydrophobicContact CG1-CD1 4.17Å; V127-L131 HydrophobicContact CG1-CG 4.49Å; V127-L131 WeakPolarHBondContact O-CG 3.46Å; V127-L131 PolarHBondContact O-N 2.9Å; V128-L131 PolarHBondContact O-N 3.44Å; L131-L133 VanDerWaalsContact C-N 3.35Å; L131-I134 PolarHBondContact O-N 3.39Å; L131-A135 WeakPolarHBondContact O-CB 3.5Å; L131-A135 PolarHBondContact O-N 3.45Å |
| 132 | L | 92.9 | Very high | 89.2 | Confident | 45 Ų | 45 | 70.1 Ų | 70.1 | 24% | 0.236 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 176.2 | -178.1 | 65.4 | 0 | 0 | 0 | 111.6 | V128 G129 G130 A135 A136 L166 F172 S180 | V128-L132 WeakPolarHBondContact O-CB 3.3Å; V128-L132 PolarHBondContact O-N 3.42Å; G129-L132 PolarHBondContact O-N 3.17Å; G130-L132 VanDerWaalsContact C-N 3.31Å; G130-L132 PolarHBondContact O-N 3.06Å; L132-A135 PolarHBondContact O-N 3.39Å; L132-A136 VanDerWaalsContact O-CB 3.25Å; L132-A136 WeakPolarHBondContact O-CB 3.3Å; L132-A136 PolarHBondContact O-N 3.16Å; L132-L166 HydrophobicContact CD2-CD1 3.88Å; L132-F172 HydrophobicContact CD2-CE1 4.16Å; L132-F172 HydrophobicContact CD2-CZ 3.58Å; L132-S180 WeakPolarHBondContact CD2-OG 3.45Å |
| 133 | L | 91.1 | Very high | 88.3 | Confident | 35 Ų | 35 | 77.1 Ų | 77.1 | 18% | 0.183 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.7 | -39.6 | 175.9 | -73.5 | 170.4 | 0 | 0 | 0 | 112.4 | P24 G129 G130 L131 A136 E137 I179 | P24-L133 HydrophobicContact CB-CD1 3.98Å; P24-L133 HydrophobicContact CB-CD2 4.29Å; P24-L133 HydrophobicContact CG-CD1 4.45Å; P24-L133 WeakPolarHBondContact O-CD1 3.24Å; G129-L133 WeakPolarHBondContact O-CG 3.49Å; G129-L133 PolarHBondContact O-N 2.98Å; G130-L133 PolarHBondContact O-N 3.43Å; L131-L133 VanDerWaalsContact C-N 3.35Å; L133-A136 PolarHBondContact O-N 2.92Å; L133-E137 WeakPolarHBondContact O-CB 3.43Å; L133-E137 PolarHBondContact O-N 3.04Å; L133-I179 HydrophobicContact CD2-CG2 4.32Å |
| 134 | I | 92 | Very high | 87.3 | Confident | 105 Ų | 105 | 76 Ų | 76 | 54% | 0.538 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.1 | -48.9 | 173.2 | -65.8 | 166 | 0 | 0 | 0 | 109.7 | G130 L131 A136 E137 C138 | G130-I134 WeakPolarHBondContact O-CG1 3.44Å; G130-I134 PolarHBondContact O-N 2.8Å; G130-I134 VanDerWaalsContact O-N 3.07Å; L131-I134 PolarHBondContact O-N 3.39Å; I134-A136 VanDerWaalsContact C-N 3.26Å; I134-A136 PolarHBondContact O-N 3.16Å; I134-E137 PolarHBondContact O-N 2.89Å; I134-C138 PolarHBondContact O-N 3.47Å; I134-C138 PolarHBondContact O-SG 2.88Å |
| 135 | A | 90.4 | Very high | 86.2 | Confident | 39 Ų | 39 | 74.7 Ų | 74.7 | 32% | 0.322 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59 | -39.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L131 L132 C138 L139 | L131-A135 WeakPolarHBondContact O-CB 3.5Å; L131-A135 PolarHBondContact O-N 3.45Å; L132-A135 PolarHBondContact O-N 3.39Å; A135-C138 PolarHBondContact O-N 3.47Å; A135-L139 VanDerWaalsContact O-CB 3.28Å; A135-L139 WeakPolarHBondContact O-CB 3.37Å; A135-L139 VanDerWaalsContact O-CG 3.22Å; A135-L139 WeakPolarHBondContact O-CG 3.43Å; A135-L139 PolarHBondContact O-N 3.42Å |
| 136 | A | 87.3 | Confident | 85.3 | Confident | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.008 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.2 | -47 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | L132 L133 I134 C138 L139 K140 F182 | L132-A136 VanDerWaalsContact O-CB 3.25Å; L132-A136 WeakPolarHBondContact O-CB 3.3Å; L132-A136 PolarHBondContact O-N 3.16Å; L133-A136 PolarHBondContact O-N 2.92Å; I134-A136 VanDerWaalsContact C-N 3.26Å; I134-A136 PolarHBondContact O-N 3.16Å; A136-C138 VanDerWaalsContact C-N 3.27Å; A136-C138 PolarHBondContact O-N 3.18Å; A136-L139 PolarHBondContact O-N 3.28Å; A136-K140 WeakPolarHBondContact O-CB 3.44Å; A136-K140 PolarHBondContact O-N 3.19Å; A136-F182 VanDerWaalsContact CA-CE2 3.49Å; A136-F182 HydrophobicContact CB-CE2 3.7Å; A136-F182 HydrophobicContact CB-CZ 3.6Å; A136-F182 WeakPolarHBondContact O-CZ 3.31Å |
| 137 | E | 86.7 | Confident | 84.2 | Confident | 66 Ų | 66 | 76.5 Ų | 76.5 | 31% | 0.308 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.9 | -38.2 | 175.4 | 177.1 | 61.5 | -165.7 | 0 | 0 | 111.8 | L133 I134 K140 V213 | L133-E137 WeakPolarHBondContact O-CB 3.43Å; L133-E137 PolarHBondContact O-N 3.04Å; I134-E137 PolarHBondContact O-N 2.89Å; E137-K140 WeakPolarHBondContact O-CD 3.24Å; E137-K140 WeakPolarHBondContact O-CG 3.26Å; E137-K140 IonicContact OE1-NZ 2.99Å; E137-K140 PolarHBondContact OE1-NZ 3.19Å; E137-K140 IonicContact OE2-NZ 3.72Å; E137-K140 PolarHBondContact OE2-NZ 3.45Å; E137-V213 WeakPolarHBondContact OE2-CB 3.1Å; E137-V213 VanDerWaalsContact OE2-CG2 3.22Å; E137-V213 WeakPolarHBondContact OE2-CG2 2.98Å; E137-V213 PolarHBondContact OE2-N 2.96Å |
| 138 | C | 85.9 | Confident | 83.4 | Confident | 99 Ų | 99 | 73 Ų | 73 | 67% | 0.669 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -71.6 | -34.8 | 177.7 | -67.7 | 0 | 0 | 0 | 0 | 113.9 | I134 A135 A136 | I134-C138 PolarHBondContact O-N 3.47Å; I134-C138 PolarHBondContact O-SG 2.88Å; A135-C138 PolarHBondContact O-N 3.47Å; A136-C138 VanDerWaalsContact C-N 3.27Å; A136-C138 PolarHBondContact O-N 3.18Å |
| 139 | L | 83.9 | Confident | 82.7 | Confident | 127 Ų | 127 | 72.1 Ų | 72.1 | 67% | 0.665 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -96.3 | -1.9 | -174.4 | -65 | 174.7 | 0 | 0 | 0 | 113.5 | A135 A136 F182 | A135-L139 VanDerWaalsContact O-CB 3.28Å; A135-L139 WeakPolarHBondContact O-CB 3.37Å; A135-L139 VanDerWaalsContact O-CG 3.22Å; A135-L139 WeakPolarHBondContact O-CG 3.43Å; A135-L139 PolarHBondContact O-N 3.42Å; A136-L139 PolarHBondContact O-N 3.28Å; L139-F182 HydrophobicContact CB-CE2 4.48Å |
| 140 | K | 79.9 | Confident | 82.3 | Confident | 68 Ų | 68 | 72 Ų | 72 | 30% | 0.296 | 39% | 0.392 | S | S | . | . | trans | -59.6 | 138.7 | -174.4 | 75.7 | -168.2 | -178.7 | -159.9 | 0 | 112.5 | A136 E137 F182 P211 | A136-K140 WeakPolarHBondContact O-CB 3.44Å; A136-K140 PolarHBondContact O-N 3.19Å; E137-K140 WeakPolarHBondContact O-CD 3.24Å; E137-K140 WeakPolarHBondContact O-CG 3.26Å; E137-K140 IonicContact OE1-NZ 2.99Å; E137-K140 PolarHBondContact OE1-NZ 3.19Å; E137-K140 IonicContact OE2-NZ 3.72Å; E137-K140 PolarHBondContact OE2-NZ 3.45Å; K140-F182 VanDerWaalsContact CA-CE1 3.48Å; K140-F182 HydrophobicContact CB-CE1 3.87Å; K140-F182 HydrophobicContact CB-CZ 4.39Å; K140-P211 WeakPolarHBondContact CE-O 3.46Å; K140-P211 PolarHBondContact NZ-O 3.02Å | ||
| 141 | P | 72.7 | Confident | 81.7 | Confident | 79 Ų | 79 | 71.4 Ų | 71.4 | 51% | 0.513 | 38% | 0.382 | S | S | . | . | trans | -67.1 | 148.5 | 174 | 28.5 | -33.7 | 0 | 0 | 0 | 110.4 | E143 | P141-E143 VanDerWaalsContact C-N 3.25Å; P141-E143 PolarHBondContact O-N 3.42Å | ||
| 142 | K | 72.5 | Confident | 81.1 | Confident | 214 Ų | 214 | 68 Ų | 68 | 93% | 0.93 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -62.9 | -33 | 178.1 | -69.1 | -177 | 178.7 | 179.6 | 0 | 112.9 | ||
| 143 | E | 70.7 | Confident | 80.9 | Confident | 146 Ų | 146 | 67.8 Ų | 67.8 | 68% | 0.682 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -116.5 | 124.4 | 177.6 | -67.7 | -171.2 | -172.2 | 0 | 0 | 109.9 | P141 | P141-E143 VanDerWaalsContact C-N 3.25Å; P141-E143 PolarHBondContact O-N 3.42Å |
| 144 | P | 69.8 | Low | 80.9 | Confident | 88 Ų | 88 | 71.4 Ų | 71.4 | 57% | 0.571 | 38% | 0.376 | S | S | * | . | trans | -69.4 | 133.6 | 176.5 | 28.3 | -32.3 | 0 | 0 | 0 | 109.9 | A146 | P144-A146 VanDerWaalsContact C-N 3.31Å; P144-A146 PolarHBondContact O-N 3.37Å | ||
| 145 | R | 71 | Confident | 80.8 | Confident | 117 Ų | 117 | 71 Ų | 71 | 44% | 0.442 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -73.8 | -25.7 | -178.1 | -145.4 | -176 | -172.8 | 81.8 | 8.5 | 113.1 | A185 | R145-A185 VanDerWaalsContact NH1-CA 3.31Š|
| 146 | A | 76.3 | Confident | 80.6 | Confident | 25 Ų | 25 | 70.1 Ų | 70.1 | 21% | 0.207 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -129 | 93.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | P144 G148 D151 M152 | P144-A146 VanDerWaalsContact C-N 3.31Å; P144-A146 PolarHBondContact O-N 3.37Å; A146-G148 PolarHBondContact O-N 2.92Å; A146-D151 HydrophobicContact CB-CB 3.92Å; A146-M152 HydrophobicContact CB-CG 4.25Å |
| 147 | P | 71.9 | Confident | 80.8 | Confident | 53 Ų | 53 | 70.2 Ų | 70.2 | 34% | 0.344 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -57.9 | -36.6 | -178.8 | -26.6 | 34.1 | 0 | 0 | 0 | 113.1 | D151 | P147-D151 WeakPolarHBondContact CD-OD2 3.14Š|
| 148 | G | 77.1 | Confident | 81 | Confident | 17 Ų | 17 | 71.7 Ų | 71.7 | 18% | 0.175 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -122.3 | 173.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E83 A146 D150 D151 | E83-G148 CarbonylContact O-C 3.18Å; E83-G148 WeakPolarHBondContact O-CA 3.39Å; A146-G148 PolarHBondContact O-N 2.92Å; G148-D150 VanDerWaalsContact C-N 3.3Å; G148-D150 PolarHBondContact O-N 3.18Å; G148-D151 PolarHBondContact N-OD2 2.87Å; G148-D151 WeakPolarHBondContact O-CB 3.33Å; G148-D151 PolarHBondContact O-N 3.44Å |
| 149 | L | 81.1 | Confident | 81.3 | Confident | 45 Ų | 45 | 68.8 Ų | 68.8 | 24% | 0.236 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -69.7 | -28.9 | -177.3 | -161.9 | 79.9 | 0 | 0 | 0 | 112.4 | R67 E83 L90 D151 M152 R220 | R67-L149 VanDerWaalsContact NH1-CD2 3.33Å; R67-L149 VanDerWaalsContact NH2-CD2 3.34Å; E83-L149 PolarHBondContact O-N 2.85Å; L90-L149 HydrophobicContact CD1-CD1 4.22Å; L90-L149 HydrophobicContact CD1-CD2 3.56Å; L90-L149 HydrophobicContact CD1-CG 3.53Å; L149-D151 VanDerWaalsContact C-N 3.27Å; L149-M152 HydrophobicContact CD1-SD 3.49Å; L149-M152 WeakPolarHBondContact CD1-SD 3.15Å; L149-M152 HydrophobicContact CG-SD 4.08Å; L149-M152 WeakPolarHBondContact O-CB 3.11Å; L149-M152 WeakPolarHBondContact O-CG 3.4Å; L149-M152 PolarHBondContact O-N 3.34Å; L149-R220 VanDerWaalsContact CB-NH2 3.31Å |
| 150 | D | 85.3 | Confident | 81.7 | Confident | 9 Ų | 9 | 64.1 Ų | 64.1 | 5% | 0.048 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -80.1 | -10.7 | 177.9 | -69.8 | -25.4 | 0 | 0 | 0 | 113.1 | R67 H82 E83 G88 R89 L90 G148 M152 | R67-D150 IonicContact NH2-OD1 3.87Å; R67-D150 PolarHBondContact NH2-OD1 2.94Å; R67-D150 IonicContact NH2-OD2 3.57Å; H82-D150 VanDerWaalsContact CA-OD2 3.29Å; H82-D150 WeakPolarHBondContact CA-OD2 3.44Å; H82-D150 VanDerWaalsContact CE1-CB 3.46Å; H82-D150 WeakPolarHBondContact CE1-CB 3.42Å; H82-D150 IonicContact CE1-OD2 3.19Å; H82-D150 IonicContact CG-OD2 3.26Å; H82-D150 IonicContact ND1-OD2 2.76Å; H82-D150 PolarHBondContact ND1-OD2 2.8Å; E83-D150 PolarHBondContact N-OD2 3.49Å; E83-D150 WeakPolarHBondContact O-CB 3.46Å; E83-D150 PolarHBondContact O-N 3.18Å; G88-D150 CarbonylContact C-O 3.28Å; G88-D150 VanDerWaalsContact C-O 3.28Å; R89-D150 PolarHBondContact N-O 3.3Å; L90-D150 WeakPolarHBondContact CB-OD1 3.44Å; L90-D150 PolarHBondContact N-OD1 3.3Å; G148-D150 VanDerWaalsContact C-N 3.3Å; G148-D150 PolarHBondContact O-N 3.18Å; D150-M152 VanDerWaalsContact C-N 3.27Å |
| 151 | D | 82.2 | Confident | 82.3 | Confident | 18 Ų | 18 | 60.9 Ų | 60.9 | 10% | 0.096 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -84.6 | -3.6 | 172.3 | -56.6 | -34.1 | 0 | 0 | 0 | 112.6 | G84 E85 S86 A146 P147 G148 L149 T153 | G84-D151 VanDerWaalsContact CA-CG 3.45Å; G84-D151 WeakPolarHBondContact CA-OD1 3.23Å; G84-D151 WeakPolarHBondContact CA-OD2 3.12Å; E85-D151 PolarHBondContact N-OD1 2.78Å; E85-D151 VanDerWaalsContact N-OD1 3.09Å; E85-D151 PolarHBondContact N-OD2 3.35Å; S86-D151 WeakPolarHBondContact CA-OD1 3.1Å; S86-D151 WeakPolarHBondContact CB-OD1 3.42Å; S86-D151 PolarHBondContact N-OD1 3.33Å; S86-D151 PolarHBondContact OG-OD1 3.31Å; A146-D151 HydrophobicContact CB-CB 3.92Å; P147-D151 WeakPolarHBondContact CD-OD2 3.14Å; G148-D151 PolarHBondContact N-OD2 2.87Å; G148-D151 WeakPolarHBondContact O-CB 3.33Å; G148-D151 PolarHBondContact O-N 3.44Å; L149-D151 VanDerWaalsContact C-N 3.27Å; D151-T153 PolarHBondContact O-N 2.93Å |
| 152 | M | 83.2 | Confident | 83.3 | Confident | 32 Ų | 32 | 59.9 Ų | 59.9 | 16% | 0.158 | 30% | 0.296 | C | S | . | . | trans | -66.2 | 130.4 | -179.4 | -73 | -176.5 | 57.9 | 0 | 0 | 111 | L90 H94 A146 L149 D150 A157 I160 | L90-M152 HydrophobicContact CD1-SD 4.36Å; H94-M152 PolarHBondContact CD2-O 3.34Å; H94-M152 PolarHBondContact NE2-O 2.93Å; A146-M152 HydrophobicContact CB-CG 4.25Å; L149-M152 HydrophobicContact CD1-SD 3.49Å; L149-M152 WeakPolarHBondContact CD1-SD 3.15Å; L149-M152 HydrophobicContact CG-SD 4.08Å; L149-M152 WeakPolarHBondContact O-CB 3.11Å; L149-M152 WeakPolarHBondContact O-CG 3.4Å; L149-M152 PolarHBondContact O-N 3.34Å; D150-M152 VanDerWaalsContact C-N 3.27Å; M152-A157 HydrophobicContact CE-CB 4.34Å; M152-I160 HydrophobicContact CE-CD1 3.26Å; M152-I160 HydrophobicContact SD-CD1 4.5Å | ||
| 153 | T | 88.5 | Confident | 84.3 | Confident | 40 Ų | 40 | 52.8 Ų | 52.8 | 25% | 0.245 | 27% | 0.265 | C | S | . | . | trans | -86.1 | 160.1 | 172.4 | 59.5 | 0 | 0 | 0 | 0 | 111.2 | D151 R155 Q156 A157 D189 | D151-T153 PolarHBondContact O-N 2.93Å; T153-R155 VanDerWaalsContact C-N 3.25Å; T153-R155 PolarHBondContact O-N 3.2Å; T153-Q156 PolarHBondContact O-N 3.47Å; T153-Q156 WeakPolarHBondContact OG1-CB 3.38Å; T153-Q156 VanDerWaalsContact OG1-CD 3.26Å; T153-Q156 VanDerWaalsContact OG1-CG 3.29Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.18Å; T153-Q156 PolarHBondContact OG1-N 3.27Å; T153-Q156 PolarHBondContact OG1-OE1 3.31Å; T153-Q156 VanDerWaalsContact OG1-OE1 3.08Å; T153-A157 PolarHBondContact O-N 3.17Å; T153-D189 HydrophobicContact CG2-CB 4.27Å | ||
| 154 | Y | 91.3 | Very high | 85.4 | Confident | 111 Ų | 111 | 48.2 Ų | 48.2 | 44% | 0.435 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.9 | -36.8 | 173.3 | -65.8 | -38.4 | 0 | 0 | 0 | 113 | I93 H94 L97 A157 F158 | I93-Y154 HydrophobicContact CB-CE1 3.88Å; I93-Y154 HydrophobicContact CG2-CD1 4.03Å; I93-Y154 HydrophobicContact CG2-CE1 3.63Å; H94-Y154 AromaticContact CD2-CD1 3.5Å; H94-Y154 VanDerWaalsContact CD2-CD1 3.5Å; H94-Y154 WeakPolarHBondContact CD2-CD1 3.25Å; H94-Y154 AromaticContact CD2-CE1 3.86Å; H94-Y154 AromaticContact CE1-CD1 3.57Å; H94-Y154 AromaticContact CE1-CE1 3.13Å; H94-Y154 WeakPolarHBondContact CE1-CE1 3.38Å; H94-Y154 AromaticContact CE1-CZ 3.96Å; H94-Y154 AromaticContact CG-CD1 3.84Å; H94-Y154 AromaticContact CG-CE1 3.86Å; H94-Y154 AromaticContact ND1-CD1 3.86Å; H94-Y154 AromaticContact ND1-CE1 3.41Å; H94-Y154 WeakPolarHBondContact ND1-CE1 3.31Å; H94-Y154 AromaticContact NE2-CD1 3.27Å; H94-Y154 VanDerWaalsContact NE2-CD1 3.27Å; H94-Y154 WeakPolarHBondContact NE2-CD1 3.49Å; H94-Y154 AromaticContact NE2-CE1 3.37Å; H94-Y154 WeakPolarHBondContact NE2-CE1 3.44Å; L97-Y154 HydrophobicContact CD1-CD1 3.79Å; L97-Y154 HydrophobicContact CD1-CG 3.93Å; Y154-A157 PolarHBondContact O-N 3.5Å; Y154-F158 WeakPolarHBondContact O-CB 3.27Å; Y154-F158 PolarHBondContact O-N 3.32Å |
| 155 | R | 88.8 | Confident | 86.7 | Confident | 98 Ų | 98 | 45.1 Ų | 45.1 | 37% | 0.37 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.7 | -44.8 | 175.9 | -176.3 | -179.2 | 174.4 | -144 | 3.8 | 111.7 | T153 F158 M159 G186 | T153-R155 VanDerWaalsContact C-N 3.25Å; T153-R155 PolarHBondContact O-N 3.2Å; R155-F158 PolarHBondContact O-N 3.36Å; R155-M159 HydrophobicContact CG-SD 4.31Å; R155-M159 VanDerWaalsContact O-CG 3.31Å; R155-M159 WeakPolarHBondContact O-CG 3.5Å; R155-M159 PolarHBondContact O-N 2.94Å; R155-G186 PolarHBondContact NH1-O 2.76Å; R155-G186 PolarHBondContact NH2-O 3.21Å |
| 156 | Q | 87.1 | Confident | 87.8 | Confident | 20 Ų | 20 | 43.2 Ų | 43.2 | 9% | 0.093 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.8 | -44.4 | 176.3 | -76.2 | 161.9 | -20 | 0 | 0 | 111.3 | T153 F158 M159 I160 V183 | T153-Q156 PolarHBondContact O-N 3.47Å; T153-Q156 WeakPolarHBondContact OG1-CB 3.38Å; T153-Q156 VanDerWaalsContact OG1-CD 3.26Å; T153-Q156 VanDerWaalsContact OG1-CG 3.29Å; T153-Q156 WeakPolarHBondContact OG1-CG 3.18Å; T153-Q156 PolarHBondContact OG1-N 3.27Å; T153-Q156 PolarHBondContact OG1-OE1 3.31Å; T153-Q156 VanDerWaalsContact OG1-OE1 3.08Å; Q156-F158 VanDerWaalsContact C-N 3.34Å; Q156-F158 PolarHBondContact O-N 2.98Å; Q156-M159 PolarHBondContact O-N 3.42Å; Q156-I160 WeakPolarHBondContact O-CG1 3.49Å; Q156-I160 PolarHBondContact O-N 3.13Å; Q156-V183 HydrophobicContact CG-CB 4.47Å; Q156-V183 HydrophobicContact CG-CG2 3.84Å |
| 157 | A | 90.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.025 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.4 | -44.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H94 L97 G98 M152 T153 Y154 I160 G161 | H94-A157 HydrophobicContact CB-CB 4.03Å; H94-A157 WeakPolarHBondContact O-CB 3.33Å; L97-A157 HydrophobicContact CB-CB 4.38Å; G98-A157 VanDerWaalsContact CA-O 3.3Å; G98-A157 WeakPolarHBondContact CA-O 3.29Å; M152-A157 HydrophobicContact CE-CB 4.34Å; T153-A157 PolarHBondContact O-N 3.17Å; Y154-A157 PolarHBondContact O-N 3.5Å; A157-I160 WeakPolarHBondContact O-CB 3.37Å; A157-I160 PolarHBondContact O-N 3.28Å; A157-G161 PolarHBondContact O-N 3.01Å; A157-G161 VanDerWaalsContact O-N 3.13Å |
| 158 | F | 92 | Very high | 89.7 | Confident | 97 Ų | 97 | 42.5 Ų | 42.5 | 43% | 0.425 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.7 | -41.8 | 175.2 | -177.1 | -102.4 | 0 | 0 | 0 | 112.7 | P101 Y154 R155 Q156 I160 G161 C162 | P101-F158 HydrophobicContact CG-CD2 4.1Å; P101-F158 HydrophobicContact CG-CE2 3.74Å; P101-F158 HydrophobicContact CG-CZ 4.32Å; Y154-F158 WeakPolarHBondContact O-CB 3.27Å; Y154-F158 PolarHBondContact O-N 3.32Å; R155-F158 PolarHBondContact O-N 3.36Å; Q156-F158 VanDerWaalsContact C-N 3.34Å; Q156-F158 PolarHBondContact O-N 2.98Å; F158-I160 VanDerWaalsContact C-N 3.31Å; F158-I160 PolarHBondContact O-N 3.41Å; F158-G161 WeakPolarHBondContact O-CA 3.49Å; F158-G161 PolarHBondContact O-N 3.41Å; F158-C162 PolarHBondContact O-N 3.12Å; F158-C162 PolarHBondContact O-SG 2.92Å |
| 159 | M | 91.4 | Very high | 90.6 | Very high | 38 Ų | 38 | 45.6 Ų | 45.6 | 19% | 0.187 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63 | -37.5 | 176.2 | -73.8 | -178.5 | 68.6 | 0 | 0 | 112.4 | R155 Q156 G161 C162 F163 V181 V183 | R155-M159 HydrophobicContact CG-SD 4.31Å; R155-M159 VanDerWaalsContact O-CG 3.31Å; R155-M159 WeakPolarHBondContact O-CG 3.5Å; R155-M159 PolarHBondContact O-N 2.94Å; Q156-M159 PolarHBondContact O-N 3.42Å; M159-G161 VanDerWaalsContact C-N 3.28Å; M159-G161 PolarHBondContact O-N 2.89Å; M159-C162 WeakPolarHBondContact O-CB 3.28Å; M159-C162 PolarHBondContact O-N 3Å; M159-F163 WeakPolarHBondContact O-CD2 3.41Å; M159-F163 PolarHBondContact O-N 3.24Å; M159-F163 VanDerWaalsContact O-N 3.09Å; M159-V181 HydrophobicContact CB-CG1 4.15Å; M159-V183 HydrophobicContact CB-CG2 4.5Å; M159-V183 HydrophobicContact CE-CB 4.27Å; M159-V183 HydrophobicContact CE-CG1 4.32Å; M159-V183 HydrophobicContact CE-CG2 3.79Å; M159-V183 HydrophobicContact SD-CB 4.17Å; M159-V183 HydrophobicContact SD-CG1 3.76Å; M159-V183 HydrophobicContact SD-CG2 3.6Å |
| 160 | I | 92 | Very high | 91.1 | Very high | 29 Ų | 29 | 43.8 Ų | 43.8 | 15% | 0.149 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.9 | -45.2 | 170.5 | -72.4 | 162.7 | 0 | 0 | 0 | 110.3 | M152 Q156 A157 F158 C162 F163 Q164 T178 V181 | M152-I160 HydrophobicContact CE-CD1 3.26Å; M152-I160 HydrophobicContact SD-CD1 4.5Å; Q156-I160 WeakPolarHBondContact O-CG1 3.49Å; Q156-I160 PolarHBondContact O-N 3.13Å; A157-I160 WeakPolarHBondContact O-CB 3.37Å; A157-I160 PolarHBondContact O-N 3.28Å; F158-I160 VanDerWaalsContact C-N 3.31Å; F158-I160 PolarHBondContact O-N 3.41Å; I160-C162 VanDerWaalsContact C-N 3.33Å; I160-C162 PolarHBondContact O-N 2.93Å; I160-F163 PolarHBondContact O-N 3.01Å; I160-F163 VanDerWaalsContact O-N 3.15Å; I160-Q164 HydrophobicContact CG2-CG 4.29Å; I160-Q164 WeakPolarHBondContact O-CG 3.48Å; I160-Q164 PolarHBondContact O-N 2.88Å; I160-T178 HydrophobicContact CG2-CG2 3.67Å; I160-V181 HydrophobicContact CB-CG2 4.35Å; I160-V181 HydrophobicContact CG1-CB 4.13Å; I160-V181 HydrophobicContact CG1-CG1 4.08Å; I160-V181 HydrophobicContact CG1-CG2 3.9Å |
| 161 | G | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.7 | -40.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | G98 A157 F158 M159 F163 Q164 C165 | G98-G161 WeakPolarHBondContact O-CA 3.4Å; A157-G161 PolarHBondContact O-N 3.01Å; A157-G161 VanDerWaalsContact O-N 3.13Å; F158-G161 WeakPolarHBondContact O-CA 3.49Å; F158-G161 PolarHBondContact O-N 3.41Å; M159-G161 VanDerWaalsContact C-N 3.28Å; M159-G161 PolarHBondContact O-N 2.89Å; G161-F163 VanDerWaalsContact C-N 3.33Å; G161-F163 PolarHBondContact O-N 3.3Å; G161-Q164 PolarHBondContact O-N 3.37Å; G161-C165 PolarHBondContact O-N 3.32Å; G161-C165 PolarHBondContact O-SG 2.78Å |
| 162 | C | 94.6 | Very high | 92 | Very high | 58 Ų | 58 | 43.3 Ų | 43.3 | 39% | 0.392 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61 | -41.3 | 174.3 | -65.8 | 0 | 0 | 0 | 0 | 112.2 | F158 M159 I160 C165 | F158-C162 PolarHBondContact O-N 3.12Å; F158-C162 PolarHBondContact O-SG 2.92Å; M159-C162 WeakPolarHBondContact O-CB 3.28Å; M159-C162 PolarHBondContact O-N 3Å; I160-C162 VanDerWaalsContact C-N 3.33Å; I160-C162 PolarHBondContact O-N 2.93Å; C162-C165 WeakPolarHBondContact O-CB 3.28Å; C162-C165 PolarHBondContact O-N 3.13Å; C162-C165 PolarHBondContact O-SG 3.2Å; C162-C165 VanDerWaalsContact O-SG 3.36Å |
| 163 | F | 93.2 | Very high | 92.5 | Very high | 64 Ų | 64 | 42.1 Ų | 42.1 | 28% | 0.281 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -72 | -32.9 | 175.7 | -87.1 | -111.7 | 0 | 0 | 0 | 112.6 | M159 I160 G161 C165 L166 S180 V181 | M159-F163 WeakPolarHBondContact O-CD2 3.41Å; M159-F163 PolarHBondContact O-N 3.24Å; M159-F163 VanDerWaalsContact O-N 3.09Å; I160-F163 PolarHBondContact O-N 3.01Å; I160-F163 VanDerWaalsContact O-N 3.15Å; G161-F163 VanDerWaalsContact C-N 3.33Å; G161-F163 PolarHBondContact O-N 3.3Å; F163-C165 PolarHBondContact O-N 2.96Å; F163-C165 VanDerWaalsContact O-N 3.09Å; F163-L166 HydrophobicContact CD1-CD1 4.26Å; F163-L166 WeakPolarHBondContact O-CB 3.46Å; F163-L166 VanDerWaalsContact O-CG 3.3Å; F163-L166 WeakPolarHBondContact O-CG 3.49Å; F163-L166 PolarHBondContact O-N 2.79Å; F163-S180 WeakPolarHBondContact CD1-OG 3.13Å; F163-V181 HydrophobicContact CB-CG2 3.42Å; F163-V181 VanDerWaalsContact CB-CG2 3.42Å; F163-V181 HydrophobicContact CD1-CG2 3.95Å; F163-V181 HydrophobicContact CD2-CG1 4.48Å; F163-V181 HydrophobicContact CD2-CG2 3.84Å; F163-V181 HydrophobicContact CG-CB 4.46Å; F163-V181 HydrophobicContact CG-CG2 3.46Å; F163-V181 VanDerWaalsContact CG-CG2 3.46Å |
| 164 | Q | 94.5 | Very high | 92.7 | Very high | 50 Ų | 50 | 46.4 Ų | 46.4 | 23% | 0.234 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.4 | -16.1 | 173.3 | -76.6 | -175 | -10.7 | 0 | 0 | 112.8 | G98 A102 I160 G161 L166 A167 T178 | G98-Q164 PolarHBondContact O-OE1 2.63Å; A102-Q164 HydrophobicContact CB-CB 4.26Å; I160-Q164 HydrophobicContact CG2-CG 4.29Å; I160-Q164 WeakPolarHBondContact O-CG 3.48Å; I160-Q164 PolarHBondContact O-N 2.88Å; G161-Q164 PolarHBondContact O-N 3.37Å; Q164-L166 PolarHBondContact O-N 2.94Å; Q164-A167 WeakPolarHBondContact O-CA 3.36Å; Q164-A167 VanDerWaalsContact O-CB 3.24Å; Q164-A167 WeakPolarHBondContact O-CB 3.39Å; Q164-A167 PolarHBondContact O-N 2.99Å; Q164-T178 PolarHBondContact NE2-OG1 2.86Å |
| 165 | C | 95.6 | Very high | 92.6 | Very high | 24 Ų | 24 | 42.2 Ų | 42.2 | 16% | 0.162 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -63.1 | -25.3 | 169.8 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | L105 G161 C162 F163 A167 L168 | L105-C165 HydrophobicContact CD1-CB 3.84Å; L105-C165 VanDerWaalsContact CD1-SG 3.59Å; G161-C165 PolarHBondContact O-N 3.32Å; G161-C165 PolarHBondContact O-SG 2.78Å; C162-C165 WeakPolarHBondContact O-CB 3.28Å; C162-C165 PolarHBondContact O-N 3.13Å; C162-C165 PolarHBondContact O-SG 3.2Å; C162-C165 VanDerWaalsContact O-SG 3.36Å; F163-C165 PolarHBondContact O-N 2.96Å; F163-C165 VanDerWaalsContact O-N 3.09Å; C165-A167 PolarHBondContact O-N 3.27Å; C165-L168 HydrophobicContact CB-CD1 4.39Å; C165-L168 VanDerWaalsContact O-CB 3.24Å; C165-L168 WeakPolarHBondContact O-CB 3.42Å; C165-L168 WeakPolarHBondContact O-CG 3.49Å; C165-L168 PolarHBondContact O-N 3.08Å; C165-L168 VanDerWaalsContact O-N 3.1Å |
| 166 | L | 94.5 | Very high | 92.7 | Very high | 76 Ų | 76 | 37.8 Ų | 37.8 | 40% | 0.398 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -61.8 | -31.5 | 170.5 | -61.7 | 174.7 | 0 | 0 | 0 | 111.5 | L132 F163 Q164 L168 W169 F172 | L132-L166 HydrophobicContact CD2-CD1 3.88Å; F163-L166 HydrophobicContact CD1-CD1 4.26Å; F163-L166 WeakPolarHBondContact O-CB 3.46Å; F163-L166 VanDerWaalsContact O-CG 3.3Å; F163-L166 WeakPolarHBondContact O-CG 3.49Å; F163-L166 PolarHBondContact O-N 2.79Å; Q164-L166 PolarHBondContact O-N 2.94Å; L166-L168 PolarHBondContact O-N 3.25Å; L166-W169 WeakPolarHBondContact O-CB 3.41Å; L166-W169 PolarHBondContact O-N 3.13Å; L166-W169 VanDerWaalsContact O-N 3.13Å; L166-F172 HydrophobicContact CB-CD1 3.93Å; L166-F172 HydrophobicContact CB-CE1 3.7Å; L166-F172 HydrophobicContact CB-CE2 4.49Å; L166-F172 HydrophobicContact CB-CG 4.44Å; L166-F172 HydrophobicContact CB-CZ 4.01Å; L166-F172 HydrophobicContact CD1-CE1 4.31Å; L166-F172 HydrophobicContact CD1-CZ 4.14Å; L166-F172 WeakPolarHBondContact O-CB 3.44Å; L166-F172 WeakPolarHBondContact O-CG 3.44Å |
| 167 | A | 94.4 | Very high | 92.9 | Very high | 21 Ų | 21 | 36.8 Ų | 36.8 | 17% | 0.174 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -72.7 | -4.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q164 C165 R174 | Q164-A167 WeakPolarHBondContact O-CA 3.36Å; Q164-A167 VanDerWaalsContact O-CB 3.24Å; Q164-A167 WeakPolarHBondContact O-CB 3.39Å; Q164-A167 PolarHBondContact O-N 2.99Å; C165-A167 PolarHBondContact O-N 3.27Å; A167-R174 HydrophobicContact CB-CB 4.21Å; A167-R174 HydrophobicContact CB-CG 3.46Å; A167-R174 VanDerWaalsContact CB-CG 3.46Å |
| 168 | L | 94.5 | Very high | 93 | Very high | 43 Ų | 43 | 38.7 Ų | 38.7 | 23% | 0.225 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -73.4 | -15.9 | 168.3 | -61.2 | 175.1 | 0 | 0 | 0 | 112.2 | L105 I113 C165 L166 P170 | L105-L168 HydrophobicContact CB-CD1 3.55Å; I113-L168 HydrophobicContact CD1-CB 3.96Å; I113-L168 HydrophobicContact CD1-CD1 4.32Å; I113-L168 HydrophobicContact CD1-CD2 4.25Å; I113-L168 HydrophobicContact CD1-CG 4.41Å; I113-L168 HydrophobicContact CG1-CB 4.36Å; I113-L168 VanDerWaalsContact CG2-O 3.31Å; I113-L168 WeakPolarHBondContact CG2-O 3.47Å; C165-L168 HydrophobicContact CB-CD1 4.39Å; C165-L168 VanDerWaalsContact O-CB 3.24Å; C165-L168 WeakPolarHBondContact O-CB 3.42Å; C165-L168 WeakPolarHBondContact O-CG 3.49Å; C165-L168 PolarHBondContact O-N 3.08Å; C165-L168 VanDerWaalsContact O-N 3.1Å; L166-L168 PolarHBondContact O-N 3.25Å; L168-P170 VanDerWaalsContact O-CD 3.28Å; L168-P170 WeakPolarHBondContact O-CD 3.49Å |
| 169 | W | 94.8 | Very high | 92.7 | Very high | 81 Ų | 81 | 35.3 Ų | 35.3 | 31% | 0.307 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -73.7 | 115.9 | 166.2 | -175.1 | -12.9 | 0 | 0 | 0 | 108.7 | N121 A125 V128 L166 G171 F172 | N121-W169 PolarHBondContact O-NE1 3.47Å; A125-W169 HydrophobicContact CB-CD2 3.92Å; A125-W169 HydrophobicContact CB-CG 3.97Å; A125-W169 HydrophobicContact CB-CZ2 4.24Å; V128-W169 HydrophobicContact CB-CZ3 4.44Å; V128-W169 HydrophobicContact CG1-CZ3 4.49Å; V128-W169 HydrophobicContact CG2-CH2 4.13Å; V128-W169 HydrophobicContact CG2-CZ3 4.29Å; L166-W169 WeakPolarHBondContact O-CB 3.41Å; L166-W169 PolarHBondContact O-N 3.13Å; L166-W169 VanDerWaalsContact O-N 3.13Å; W169-G171 PolarHBondContact O-N 3.26Å; W169-F172 HydrophobicContact CB-CB 4.12Å; W169-F172 WeakPolarHBondContact O-CB 3.22Å; W169-F172 PolarHBondContact O-N 2.93Å |
| 170 | P | 91.2 | Very high | 92.4 | Very high | 8 Ų | 8 | 33.6 Ų | 33.6 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 127.2 | 176.5 | -26.8 | 36.6 | 0 | 0 | 0 | 112.1 | I113 L116 F117 V122 A125 L168 | I113-P170 HydrophobicContact CG2-CG 4.37Å; L116-P170 HydrophobicContact CB-CG 3.93Å; F117-P170 HydrophobicContact CD1-CB 3.88Å; F117-P170 HydrophobicContact CD1-CG 4.06Å; F117-P170 HydrophobicContact CD2-CB 4.25Å; F117-P170 HydrophobicContact CD2-CG 3.52Å; F117-P170 HydrophobicContact CE1-CB 3.91Å; F117-P170 HydrophobicContact CE1-CG 4.03Å; F117-P170 HydrophobicContact CE2-CB 4.32Å; F117-P170 HydrophobicContact CE2-CG 3.52Å; F117-P170 HydrophobicContact CG-CB 4.07Å; F117-P170 HydrophobicContact CG-CG 3.83Å; F117-P170 HydrophobicContact CZ-CB 4.14Å; F117-P170 HydrophobicContact CZ-CG 3.77Å; V122-P170 HydrophobicContact CG2-CB 4.26Å; A125-P170 WeakPolarHBondContact CB-O 3.34Å; L168-P170 VanDerWaalsContact O-CD 3.28Å; L168-P170 WeakPolarHBondContact O-CD 3.49Å |
| 171 | G | 91.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 4% | 0.041 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | -2.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | S26 A125 W169 | S26-G171 WeakPolarHBondContact CB-O 3.28Å; S26-G171 VanDerWaalsContact OG-CA 3.31Å; S26-G171 WeakPolarHBondContact OG-CA 3.09Å; S26-G171 PolarHBondContact OG-O 3.1Å; A125-G171 VanDerWaalsContact CB-C 3.44Å; W169-G171 PolarHBondContact O-N 3.26Å |
| 172 | F | 95.4 | Very high | 91.1 | Very high | 12 Ų | 12 | 36.5 Ų | 36.5 | 5% | 0.053 | 19% | 0.186 | C | C | . | . | trans | -87.8 | 137.7 | 173.7 | -159 | -77.3 | 0 | 0 | 0 | 110.8 | A125 V128 L132 L166 W169 R174 A177 | A125-F172 HydrophobicContact CB-CB 4.25Å; V128-F172 HydrophobicContact CG1-CE2 4.13Å; L132-F172 HydrophobicContact CD2-CE1 4.16Å; L132-F172 HydrophobicContact CD2-CZ 3.58Å; L166-F172 HydrophobicContact CB-CD1 3.93Å; L166-F172 HydrophobicContact CB-CE1 3.7Å; L166-F172 HydrophobicContact CB-CE2 4.49Å; L166-F172 HydrophobicContact CB-CG 4.44Å; L166-F172 HydrophobicContact CB-CZ 4.01Å; L166-F172 HydrophobicContact CD1-CE1 4.31Å; L166-F172 HydrophobicContact CD1-CZ 4.14Å; L166-F172 WeakPolarHBondContact O-CB 3.44Å; L166-F172 WeakPolarHBondContact O-CG 3.44Å; W169-F172 HydrophobicContact CB-CB 4.12Å; W169-F172 WeakPolarHBondContact O-CB 3.22Å; W169-F172 PolarHBondContact O-N 2.93Å; F172-R174 PolarHBondContact O-N 3.17Å; F172-A177 HydrophobicContact CD1-CB 4.31Å; F172-A177 HydrophobicContact CE1-CB 3.9Å | ||
| 173 | S | 94 | Very high | 89.6 | Confident | 8 Ų | 8 | 35.1 Ų | 35.1 | 6% | 0.056 | 18% | 0.176 | C | C | . | . | trans | -77.5 | 124.1 | -174.7 | -179 | 0 | 0 | 0 | 0 | 112 | V25 S175 G176 A177 | V25-S173 PolarHBondContact N-OG 3.39Å; V25-S173 WeakPolarHBondContact O-CB 3.45Å; V25-S173 PolarHBondContact O-OG 2.83Å; S173-S175 PolarHBondContact OG-OG 3.45Å; S173-G176 PolarHBondContact O-N 2.86Å; S173-G176 PolarHBondContact OG-N 3.38Å; S173-A177 WeakPolarHBondContact O-CB 3.35Å; S173-A177 PolarHBondContact O-N 3.28Å | ||
| 174 | R | 92.5 | Very high | 87.7 | Confident | 129 Ų | 129 | 36.4 Ų | 36.4 | 49% | 0.487 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.8 | -46.2 | 173.6 | -74.2 | -180 | -71.4 | 156.3 | 5.4 | 111.9 | E21 A167 F172 A177 T178 | E21-R174 IonicContact OE1-CZ 3.53Å; E21-R174 IonicContact OE1-NH2 2.67Å; E21-R174 PolarHBondContact OE1-NH2 3.4Å; E21-R174 IonicContact OE2-NH2 3.66Å; A167-R174 HydrophobicContact CB-CB 4.21Å; A167-R174 HydrophobicContact CB-CG 3.46Å; A167-R174 VanDerWaalsContact CB-CG 3.46Å; F172-R174 PolarHBondContact O-N 3.17Å; R174-A177 PolarHBondContact O-N 2.99Å; R174-T178 WeakPolarHBondContact O-CB 3.38Å; R174-T178 PolarHBondContact O-N 2.98Å; R174-T178 PolarHBondContact O-OG1 3.01Å |
| 175 | S | 89.4 | Confident | 85.4 | Confident | 24 Ų | 24 | 38.3 Ų | 38.3 | 17% | 0.168 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.2 | -44.4 | 175.1 | 49.4 | 0 | 0 | 0 | 0 | 110.1 | L23 P24 S173 T178 I179 | L23-S175 PolarHBondContact O-OG 3.28Å; P24-S175 WeakPolarHBondContact CA-OG 3.31Å; S173-S175 PolarHBondContact OG-OG 3.45Å; S175-T178 WeakPolarHBondContact O-CB 3.48Å; S175-T178 PolarHBondContact O-N 2.98Å; S175-I179 WeakPolarHBondContact O-CB 3.22Å; S175-I179 VanDerWaalsContact O-CD1 3.3Å; S175-I179 WeakPolarHBondContact O-CD1 3.29Å; S175-I179 VanDerWaalsContact O-CG1 3.24Å; S175-I179 WeakPolarHBondContact O-CG1 3.34Å; S175-I179 PolarHBondContact O-N 3.41Å |
| 176 | G | 90.7 | Very high | 82.5 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 4% | 0.041 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.6 | -45.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S173 T178 I179 S180 | S173-G176 PolarHBondContact O-N 2.86Å; S173-G176 PolarHBondContact OG-N 3.38Å; G176-T178 VanDerWaalsContact C-N 3.31Å; G176-T178 PolarHBondContact O-N 3.1Å; G176-I179 PolarHBondContact O-N 3.05Å; G176-S180 WeakPolarHBondContact O-CB 3.36Å; G176-S180 PolarHBondContact O-N 3.03Å; G176-S180 PolarHBondContact O-OG 2.68Å |
| 177 | A | 92 | Very high | 79.8 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.7 | -44.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F172 S173 R174 S180 | F172-A177 HydrophobicContact CD1-CB 4.31Å; F172-A177 HydrophobicContact CE1-CB 3.9Å; S173-A177 WeakPolarHBondContact O-CB 3.35Å; S173-A177 PolarHBondContact O-N 3.28Å; R174-A177 PolarHBondContact O-N 2.99Å; A177-S180 PolarHBondContact O-N 3.24Å; A177-S180 PolarHBondContact O-OG 3.46Å |
| 178 | T | 90.6 | Very high | 77.4 | Confident | 43 Ų | 43 | 42 Ų | 42 | 26% | 0.264 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 179.8 | -58.4 | 0 | 0 | 0 | 0 | 112.1 | I160 Q164 R174 S175 G176 S180 V181 | I160-T178 HydrophobicContact CG2-CG2 3.67Å; Q164-T178 PolarHBondContact NE2-OG1 2.86Å; R174-T178 WeakPolarHBondContact O-CB 3.38Å; R174-T178 PolarHBondContact O-N 2.98Å; R174-T178 PolarHBondContact O-OG1 3.01Å; S175-T178 WeakPolarHBondContact O-CB 3.48Å; S175-T178 PolarHBondContact O-N 2.98Å; G176-T178 VanDerWaalsContact C-N 3.31Å; G176-T178 PolarHBondContact O-N 3.1Å; T178-S180 VanDerWaalsContact C-N 3.31Å; T178-S180 PolarHBondContact O-N 3.45Å; T178-V181 WeakPolarHBondContact O-CG2 3.34Å; T178-V181 PolarHBondContact O-N 2.62Å |
| 179 | I | 85.8 | Confident | 75.1 | Confident | 26 Ų | 26 | 44.9 Ų | 44.9 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.7 | -32.4 | 179.8 | -70.9 | 158.2 | 0 | 0 | 0 | 111.8 | P24 L133 S175 G176 V181 V213 W216 V217 | P24-I179 HydrophobicContact CB-CD1 3.83Å; L133-I179 HydrophobicContact CD2-CG2 4.32Å; S175-I179 WeakPolarHBondContact O-CB 3.22Å; S175-I179 VanDerWaalsContact O-CD1 3.3Å; S175-I179 WeakPolarHBondContact O-CD1 3.29Å; S175-I179 VanDerWaalsContact O-CG1 3.24Å; S175-I179 WeakPolarHBondContact O-CG1 3.34Å; S175-I179 PolarHBondContact O-N 3.41Å; G176-I179 PolarHBondContact O-N 3.05Å; I179-V181 PolarHBondContact O-N 2.84Å; I179-V213 HydrophobicContact CG2-CG1 3.34Å; I179-V213 HydrophobicContact CG2-CG2 4.37Å; I179-W216 HydrophobicContact CG1-CZ3 4.06Å; I179-V217 HydrophobicContact CD1-CG2 3.42Å; I179-V217 VanDerWaalsContact CD1-CG2 3.42Å; I179-V217 HydrophobicContact CG1-CG2 4.21Å |
| 180 | S | 86.3 | Confident | 72.8 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.007 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -1.5 | -177.7 | 71.3 | 0 | 0 | 0 | 0 | 115.1 | L132 F163 G176 A177 T178 F182 | L132-S180 WeakPolarHBondContact CD2-OG 3.45Å; F163-S180 WeakPolarHBondContact CD1-OG 3.13Å; G176-S180 WeakPolarHBondContact O-CB 3.36Å; G176-S180 PolarHBondContact O-N 3.03Å; G176-S180 PolarHBondContact O-OG 2.68Å; A177-S180 PolarHBondContact O-N 3.24Å; A177-S180 PolarHBondContact O-OG 3.46Å; T178-S180 VanDerWaalsContact C-N 3.31Å; T178-S180 PolarHBondContact O-N 3.45Å; S180-F182 WeakPolarHBondContact O-CD2 3.41Å; S180-F182 WeakPolarHBondContact O-CE2 3.42Å; S180-F182 PolarHBondContact O-N 2.72Å |
| 181 | V | 84.4 | Confident | 70.7 | Confident | 26 Ų | 26 | 51.9 Ų | 51.9 | 16% | 0.158 | 33% | 0.327 | C | S | . | . | trans | -74.3 | 117.8 | -175.9 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | M159 I160 F163 T178 I179 V183 | M159-V181 HydrophobicContact CB-CG1 4.15Å; I160-V181 HydrophobicContact CB-CG2 4.35Å; I160-V181 HydrophobicContact CG1-CB 4.13Å; I160-V181 HydrophobicContact CG1-CG1 4.08Å; I160-V181 HydrophobicContact CG1-CG2 3.9Å; F163-V181 HydrophobicContact CB-CG2 3.42Å; F163-V181 VanDerWaalsContact CB-CG2 3.42Å; F163-V181 HydrophobicContact CD1-CG2 3.95Å; F163-V181 HydrophobicContact CD2-CG1 4.48Å; F163-V181 HydrophobicContact CD2-CG2 3.84Å; F163-V181 HydrophobicContact CG-CB 4.46Å; F163-V181 HydrophobicContact CG-CG2 3.46Å; F163-V181 VanDerWaalsContact CG-CG2 3.46Å; T178-V181 WeakPolarHBondContact O-CG2 3.34Å; T178-V181 PolarHBondContact O-N 2.62Å; I179-V181 PolarHBondContact O-N 2.84Å; V181-V183 HydrophobicContact CG1-CG2 4.22Å | ||
| 182 | F | 73.2 | Confident | 68.4 | Low | 64 Ų | 64 | 54.3 Ų | 54.3 | 28% | 0.281 | 35% | 0.351 | S | S | . | . | trans | -107.5 | 131.1 | 168.7 | -59.7 | -69.4 | 0 | 0 | 0 | 110.7 | A136 L139 K140 S180 P184 | A136-F182 VanDerWaalsContact CA-CE2 3.49Å; A136-F182 HydrophobicContact CB-CE2 3.7Å; A136-F182 HydrophobicContact CB-CZ 3.6Å; A136-F182 WeakPolarHBondContact O-CZ 3.31Å; L139-F182 HydrophobicContact CB-CE2 4.48Å; K140-F182 VanDerWaalsContact CA-CE1 3.48Å; K140-F182 HydrophobicContact CB-CE1 3.87Å; K140-F182 HydrophobicContact CB-CZ 4.39Å; S180-F182 WeakPolarHBondContact O-CD2 3.41Å; S180-F182 WeakPolarHBondContact O-CE2 3.42Å; S180-F182 PolarHBondContact O-N 2.72Å; F182-P184 WeakPolarHBondContact O-CD 3.44Å | ||
| 183 | V | 63 | Low | 66.1 | Low | 29 Ų | 29 | 61 Ų | 61 | 18% | 0.176 | 38% | 0.376 | C | S | . | . | trans | -107.7 | 107.9 | 175 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | Q156 M159 V181 | Q156-V183 HydrophobicContact CG-CB 4.47Å; Q156-V183 HydrophobicContact CG-CG2 3.84Å; M159-V183 HydrophobicContact CB-CG2 4.5Å; M159-V183 HydrophobicContact CE-CB 4.27Å; M159-V183 HydrophobicContact CE-CG1 4.32Å; M159-V183 HydrophobicContact CE-CG2 3.79Å; M159-V183 HydrophobicContact SD-CB 4.17Å; M159-V183 HydrophobicContact SD-CG1 3.76Å; M159-V183 HydrophobicContact SD-CG2 3.6Å; V181-V183 HydrophobicContact CG1-CG2 4.22Å | ||
| 184 | P | 52.6 | Low | 63.6 | Low | 92 Ų | 92 | 67 Ų | 67 | 60% | 0.597 | 41% | 0.408 | S | S | * | . | trans | -58.8 | 150.3 | 178 | -22.3 | 31.8 | 0 | 0 | 0 | 112.5 | F182 G186 | F182-P184 WeakPolarHBondContact O-CD 3.44Å; P184-G186 VanDerWaalsContact C-N 3.31Å; P184-G186 PolarHBondContact O-N 3.43Å | ||
| 185 | A | 46.4 | Very low | 61.2 | Low | 89 Ų | 89 | 62.8 Ų | 62.8 | 74% | 0.736 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -73.2 | 79.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R145 | R145-A185 VanDerWaalsContact NH1-CA 3.31Š|
| 186 | G | 34.2 | Very low | 59.1 | Low | 47 Ų | 47 | 63.8 Ų | 63.8 | 49% | 0.485 | 41% | 0.414 | S | S | . | . | trans | -171.5 | 114 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | R155 P184 | R155-G186 PolarHBondContact NH1-O 2.76Å; R155-G186 PolarHBondContact NH2-O 3.21Å; P184-G186 VanDerWaalsContact C-N 3.31Å; P184-G186 PolarHBondContact O-N 3.43Å | ||
| 187 | G | 39 | Very low | 57 | Low | 49 Ų | 49 | 72.7 Ų | 72.7 | 51% | 0.505 | 45% | 0.447 | S | S | . | . | S | Bend | trans | 140.1 | 99.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D189 | G187-D189 VanDerWaalsContact C-N 3.3Å; G187-D189 PolarHBondContact O-N 2.91Å |
| 188 | A | 44.3 | Very low | 55 | Low | 104 Ų | 104 | 76 Ų | 76 | 86% | 0.86 | 47% | 0.469 | S | S | * | . | S | Bend | trans | 38 | -26.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 124 | D190 | A188-D190 VanDerWaalsContact C-N 3.34Å; A188-D190 PolarHBondContact O-N 3.41Å; A188-D190 VanDerWaalsContact O-N 3.16Å |
| 189 | D | 46.1 | Very low | 52.8 | Low | 103 Ų | 103 | 77.6 Ų | 77.6 | 55% | 0.551 | 48% | 0.476 | S | S | * | . | trans | -96.8 | 60.8 | -174.6 | -66.1 | -30.5 | 0 | 0 | 0 | 111.4 | T153 G187 D191 | T153-D189 HydrophobicContact CG2-CB 4.27Å; G187-D189 VanDerWaalsContact C-N 3.3Å; G187-D189 PolarHBondContact O-N 2.91Å; D189-D191 PolarHBondContact O-N 3.36Å | ||
| 190 | D | 45.8 | Very low | 51.2 | Low | 85 Ų | 85 | 83.1 Ų | 83.1 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -85.9 | 19.6 | -177.7 | -144.6 | 25.5 | 0 | 0 | 0 | 114.2 | A188 G192 R193 | A188-D190 VanDerWaalsContact C-N 3.34Å; A188-D190 PolarHBondContact O-N 3.41Å; A188-D190 VanDerWaalsContact O-N 3.16Å; D190-G192 VanDerWaalsContact C-N 3.31Å; D190-G192 PolarHBondContact O-N 3.36Å; D190-R193 VanDerWaalsContact CG-NE 3.34Å; D190-R193 IonicContact OD1-CZ 3.45Å; D190-R193 IonicContact OD1-NE 3.44Å; D190-R193 PolarHBondContact OD1-NE 2.69Å; D190-R193 IonicContact OD1-NH2 2.68Å; D190-R193 PolarHBondContact OD1-NH2 2.57Å; D190-R193 IonicContact OD2-CZ 3.1Å; D190-R193 IonicContact OD2-NE 2.66Å; D190-R193 PolarHBondContact OD2-NE 2.89Å; D190-R193 IonicContact OD2-NH2 2.77Å; D190-R193 PolarHBondContact OD2-NH2 2.86Å |
| 191 | D | 47.8 | Very low | 49.6 | Very low | 151 Ų | 151 | 92 Ų | 92 | 81% | 0.807 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -75.2 | -19.2 | -175.8 | -163.4 | 38.2 | 0 | 0 | 0 | 112.9 | D189 | D189-D191 PolarHBondContact O-N 3.36Š|
| 192 | G | 43.8 | Very low | 48.1 | Very low | 54 Ų | 54 | 96.2 Ų | 96.2 | 56% | 0.557 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -79.7 | -18.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | D190 N194 G195 | D190-G192 VanDerWaalsContact C-N 3.31Å; D190-G192 PolarHBondContact O-N 3.36Å; G192-N194 PolarHBondContact O-N 3.33Å; G192-G195 PolarHBondContact O-N 3.19Å |
| 193 | R | 45.8 | Very low | 46.6 | Very low | 152 Ų | 152 | 96.5 Ų | 96.5 | 57% | 0.574 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.9 | -19.6 | -172 | -109.9 | -166.5 | -84.6 | -167.9 | -0.1 | 114.1 | D190 | D190-R193 VanDerWaalsContact CG-NE 3.34Å; D190-R193 IonicContact OD1-CZ 3.45Å; D190-R193 IonicContact OD1-NE 3.44Å; D190-R193 PolarHBondContact OD1-NE 2.69Å; D190-R193 IonicContact OD1-NH2 2.68Å; D190-R193 PolarHBondContact OD1-NH2 2.57Å; D190-R193 IonicContact OD2-CZ 3.1Å; D190-R193 IonicContact OD2-NE 2.66Å; D190-R193 PolarHBondContact OD2-NE 2.89Å; D190-R193 IonicContact OD2-NH2 2.77Å; D190-R193 PolarHBondContact OD2-NH2 2.86Å |
| 194 | N | 42.9 | Very low | 45.8 | Very low | 135 Ų | 135 | 100.4 Ų | 100.4 | 72% | 0.722 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -80.4 | -24 | 179 | -77.8 | -16.9 | 0 | 0 | 0 | 113.5 | G192 | G192-N194 PolarHBondContact O-N 3.33Å |
| 195 | G | 41.3 | Very low | 45.1 | Very low | 41 Ų | 41 | 101 Ų | 101 | 42% | 0.423 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -74.6 | -55.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G192 R197 S198 L199 | G192-G195 PolarHBondContact O-N 3.19Å; G195-R197 PolarHBondContact O-N 3.39Å; G195-S198 WeakPolarHBondContact O-CB 3.46Å; G195-S198 PolarHBondContact O-N 3.16Å; G195-L199 PolarHBondContact O-N 3.49Å |
| 196 | A | 45.5 | Very low | 45.1 | Very low | 45 Ų | 45 | 102.3 Ų | 102.3 | 37% | 0.372 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.1 | -37 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113 | S198 L199 Q200 | A196-S198 PolarHBondContact O-N 3Å; A196-L199 PolarHBondContact O-N 2.98Å; A196-Q200 PolarHBondContact O-N 3.36Å |
| 197 | R | 46.7 | Very low | 45.6 | Very low | 191 Ų | 191 | 106.1 Ų | 106.1 | 72% | 0.721 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -63.2 | -26.8 | 174 | -103.1 | -173.5 | 179 | -144.2 | -1.7 | 113.3 | G195 | G195-R197 PolarHBondContact O-N 3.39Å |
| 198 | S | 49 | Very low | 46.2 | Very low | 68 Ų | 68 | 113.1 Ų | 113.1 | 48% | 0.476 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -80.2 | -29.4 | -179.8 | -155.4 | 0 | 0 | 0 | 0 | 112.3 | G195 A196 | G195-S198 WeakPolarHBondContact O-CB 3.46Å; G195-S198 PolarHBondContact O-N 3.16Å; A196-S198 PolarHBondContact O-N 3Å |
| 199 | L | 45.4 | Very low | 46.7 | Very low | 78 Ų | 78 | 113.9 Ų | 113.9 | 41% | 0.408 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -77.3 | -35.9 | 176.2 | -66.2 | -176.6 | 0 | 0 | 0 | 112.4 | G195 A196 K201 L202 | G195-L199 PolarHBondContact O-N 3.49Å; A196-L199 PolarHBondContact O-N 2.98Å; L199-K201 PolarHBondContact O-N 2.61Å; L199-L202 HydrophobicContact CD2-CD1 4.27Å; L199-L202 PolarHBondContact O-N 3.13Å |
| 200 | Q | 51.4 | Low | 47.1 | Very low | 142 Ų | 142 | 112.3 Ų | 112.3 | 66% | 0.664 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.8 | -29.7 | 174.7 | -156.9 | 174.4 | 25.5 | 0 | 0 | 112.2 | A196 L202 | A196-Q200 PolarHBondContact O-N 3.36Å; Q200-L202 VanDerWaalsContact C-N 3.26Å; Q200-L202 PolarHBondContact O-N 3.49Å |
| 201 | K | 53.5 | Low | 47.3 | Very low | 187 Ų | 187 | 111.8 Ų | 111.8 | 81% | 0.813 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -18.5 | 172.1 | -81.4 | -170.4 | 177.8 | -172.2 | 0 | 114.1 | L199 G203 | L199-K201 PolarHBondContact O-N 2.61Å; K201-G203 VanDerWaalsContact C-N 3.34Å |
| 202 | L | 53.6 | Low | 47.6 | Very low | 115 Ų | 115 | 106.8 Ų | 106.8 | 60% | 0.602 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 5.5 | -178 | -74.1 | 163.8 | 0 | 0 | 0 | 113.3 | L199 Q200 L204 | L199-L202 HydrophobicContact CD2-CD1 4.27Å; L199-L202 PolarHBondContact O-N 3.13Å; Q200-L202 VanDerWaalsContact C-N 3.26Å; Q200-L202 PolarHBondContact O-N 3.49Å; L202-L204 HydrophobicContact CB-CD1 4.26Å; L202-L204 HydrophobicContact CB-CG 4.21Å; L202-L204 PolarHBondContact O-N 2.75Å |
| 203 | G | 40.4 | Very low | 48 | Very low | 70 Ų | 70 | 105.6 Ų | 105.6 | 72% | 0.722 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 15.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | K201 | K201-G203 VanDerWaalsContact C-N 3.34Š|
| 204 | L | 47.2 | Very low | 48 | Very low | 110 Ų | 110 | 102.8 Ų | 102.8 | 58% | 0.576 | 54% | 0.541 | S | S | * | . | trans | -72.1 | 142.9 | 175.3 | -67.2 | 173.4 | 0 | 0 | 0 | 108.6 | L202 D206 | L202-L204 HydrophobicContact CB-CD1 4.26Å; L202-L204 HydrophobicContact CB-CG 4.21Å; L202-L204 PolarHBondContact O-N 2.75Å; L204-D206 PolarHBondContact O-N 3.09Å; L204-D206 VanDerWaalsContact O-N 3.12Å | ||
| 205 | P | 36.9 | Very low | 48.3 | Very low | 106 Ų | 106 | 103.3 Ų | 103.3 | 69% | 0.688 | 53% | 0.533 | S | S | * | . | trans | -54.9 | 123.3 | -172.2 | 19.1 | -30.6 | 0 | 0 | 0 | 110.4 | K207 | P205-K207 VanDerWaalsContact C-N 3.29Å; P205-K207 PolarHBondContact O-N 3.08Å | ||
| 206 | D | 46.8 | Very low | 48.6 | Very low | 116 Ų | 116 | 106.1 Ų | 106.1 | 62% | 0.62 | 53% | 0.53 | S | S | * | . | trans | -56 | 91.5 | 172.2 | 174.7 | 19.6 | 0 | 0 | 0 | 108.8 | L204 R208 | L204-D206 PolarHBondContact O-N 3.09Å; L204-D206 VanDerWaalsContact O-N 3.12Å; D206-R208 PolarHBondContact O-N 3.41Å; D206-R208 WeakPolarHBondContact OD2-CG 3.39Å; D206-R208 IonicContact OD2-NE 3.91Å | ||
| 207 | K | 44.3 | Very low | 48.5 | Very low | 126 Ų | 126 | 104.5 Ų | 104.5 | 55% | 0.548 | 52% | 0.516 | S | S | . | . | trans | -74.1 | 79.3 | 171.1 | -64.7 | -155.7 | -174.2 | -162.6 | 0 | 106.6 | P205 R209 | P205-K207 VanDerWaalsContact C-N 3.29Å; P205-K207 PolarHBondContact O-N 3.08Å; K207-R209 HydrophobicContact CB-CB 3.94Å; K207-R209 HydrophobicContact CB-CG 4.16Å; K207-R209 HydrophobicContact CD-CG 4.29Å; K207-R209 VanDerWaalsContact CD-CZ 3.43Å; K207-R209 WeakPolarHBondContact O-CB 3.29Å; K207-R209 PolarHBondContact O-N 2.9Å | ||
| 208 | R | 52.1 | Low | 48.1 | Very low | 197 Ų | 197 | 103 Ų | 103 | 74% | 0.743 | 51% | 0.511 | S | S | * | . | trans | -55.5 | 53.8 | 148.6 | -64.2 | 177.8 | -72.6 | 167.4 | -2.5 | 109.5 | D206 Y210 P211 | D206-R208 PolarHBondContact O-N 3.41Å; D206-R208 WeakPolarHBondContact OD2-CG 3.39Å; D206-R208 IonicContact OD2-NE 3.91Å; R208-Y210 PolarHBondContact O-N 3.04Å; R208-P211 WeakPolarHBondContact O-CD 3.37Å | ||
| 209 | R | 55.3 | Low | 47.7 | Very low | 119 Ų | 119 | 102.4 Ų | 102.4 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | trans | -65.5 | -24.8 | -148.2 | -155.7 | 167 | -157.4 | 164.8 | -2.8 | 111.9 | K207 | K207-R209 HydrophobicContact CB-CB 3.94Å; K207-R209 HydrophobicContact CB-CG 4.16Å; K207-R209 HydrophobicContact CD-CG 4.29Å; K207-R209 VanDerWaalsContact CD-CZ 3.43Å; K207-R209 WeakPolarHBondContact O-CB 3.29Å; K207-R209 PolarHBondContact O-N 2.9Å | ||
| 210 | Y | 52.8 | Low | 47.8 | Very low | 70 Ų | 70 | 101.4 Ų | 101.4 | 28% | 0.275 | 49% | 0.492 | S | S | . | . | trans | -138.5 | 87.3 | 176.3 | -49 | -71.2 | 0 | 0 | 0 | 108.3 | R208 D212 R215 W216 H219 | R208-Y210 PolarHBondContact O-N 3.04Å; Y210-D212 PolarHBondContact O-N 3.01Å; Y210-R215 HydrophobicContact CD1-CG 4.33Å; Y210-W216 AromaticContact CD2-CD1 3.66Å; Y210-W216 HydrophobicContact CG-CB 4.11Å; Y210-W216 AromaticContact CG-CD1 3.89Å; Y210-W216 HydrophobicContact CG-CG 4.42Å; Y210-H219 HydrophobicContact CD1-CB 4.26Å; Y210-H219 HydrophobicContact CE1-CB 3.53Å; Y210-H219 AromaticContact CE1-CD2 3.94Å; Y210-H219 AromaticContact CE1-CG 3.61Å; Y210-H219 PolarHBondContact OH-ND1 3.48Å | ||
| 211 | P | 51.3 | Low | 47.1 | Very low | 74 Ų | 74 | 97.8 Ų | 97.8 | 48% | 0.481 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -65.4 | -15.8 | -178.2 | 25.6 | -32.6 | 0 | 0 | 0 | 112.9 | K140 R208 | K140-P211 WeakPolarHBondContact CE-O 3.46Å; K140-P211 PolarHBondContact NZ-O 3.02Å; R208-P211 WeakPolarHBondContact O-CD 3.37Å |
| 212 | D | 53.2 | Low | 46.2 | Very low | 47 Ų | 47 | 92.8 Ų | 92.8 | 25% | 0.251 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -140.1 | 147.8 | -175.8 | 61.7 | -57.6 | 0 | 0 | 0 | 112.2 | Y210 C214 R215 W216 | Y210-D212 PolarHBondContact O-N 3.01Å; D212-C214 PolarHBondContact O-N 2.77Å; D212-C214 WeakPolarHBondContact OD2-CB 3.34Å; D212-R215 PolarHBondContact O-N 2.66Å; D212-R215 WeakPolarHBondContact OD1-CB 3.03Å; D212-R215 PolarHBondContact OD2-N 3.01Å; D212-R215 VanDerWaalsContact OD2-N 3.1Å; D212-W216 PolarHBondContact O-N 3.29Å; D212-W216 VanDerWaalsContact O-N 3.13Å |
| 213 | V | 53.2 | Low | 45.3 | Very low | 28 Ų | 28 | 89.2 Ų | 89.2 | 17% | 0.17 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -55.5 | -38.9 | 178.9 | 164.5 | 0 | 0 | 0 | 0 | 110.9 | E137 I179 R215 W216 V217 | E137-V213 WeakPolarHBondContact OE2-CB 3.1Å; E137-V213 VanDerWaalsContact OE2-CG2 3.22Å; E137-V213 WeakPolarHBondContact OE2-CG2 2.98Å; E137-V213 PolarHBondContact OE2-N 2.96Å; I179-V213 HydrophobicContact CG2-CG1 3.34Å; I179-V213 HydrophobicContact CG2-CG2 4.37Å; V213-R215 PolarHBondContact O-N 2.76Å; V213-W216 PolarHBondContact O-N 3.42Å; V213-V217 HydrophobicContact CG1-CG2 4.26Å; V213-V217 VanDerWaalsContact O-CG2 3.29Å; V213-V217 WeakPolarHBondContact O-CG2 3.4Å; V213-V217 PolarHBondContact O-N 3.26Å |
| 214 | C | 46 | Very low | 45 | Very low | 93 Ų | 93 | 88 Ų | 88 | 63% | 0.628 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -60.2 | -46.4 | 178.9 | -68.9 | 0 | 0 | 0 | 0 | 112.1 | D212 W216 V217 Y218 | D212-C214 PolarHBondContact O-N 2.77Å; D212-C214 WeakPolarHBondContact OD2-CB 3.34Å; C214-W216 VanDerWaalsContact C-N 3.35Å; C214-V217 PolarHBondContact O-N 2.66Å; C214-Y218 VanDerWaalsContact O-CB 3.31Å; C214-Y218 WeakPolarHBondContact O-CB 3.18Å; C214-Y218 PolarHBondContact O-N 3.45Å |
| 215 | R | 47.6 | Very low | 44.5 | Very low | 147 Ų | 147 | 86.8 Ų | 86.8 | 56% | 0.555 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -69 | -32.2 | 177.9 | -164.7 | 177.7 | -92.3 | -151.9 | -2.7 | 112.8 | Y210 D212 V213 H219 | Y210-R215 HydrophobicContact CD1-CG 4.33Å; D212-R215 PolarHBondContact O-N 2.66Å; D212-R215 WeakPolarHBondContact OD1-CB 3.03Å; D212-R215 PolarHBondContact OD2-N 3.01Å; D212-R215 VanDerWaalsContact OD2-N 3.1Å; V213-R215 PolarHBondContact O-N 2.76Å; R215-H219 WeakPolarHBondContact O-CB 3.4Å; R215-H219 PolarHBondContact O-N 3.27Å; R215-H219 VanDerWaalsContact O-N 3.1Å |
| 216 | W | 48.7 | Very low | 44.6 | Very low | 100 Ų | 100 | 87 Ų | 87 | 38% | 0.379 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.5 | -48.1 | 172.4 | -173.9 | 83.4 | 0 | 0 | 0 | 111.5 | I179 Y210 D212 V213 C214 R220 | I179-W216 HydrophobicContact CG1-CZ3 4.06Å; Y210-W216 AromaticContact CD2-CD1 3.66Å; Y210-W216 HydrophobicContact CG-CB 4.11Å; Y210-W216 AromaticContact CG-CD1 3.89Å; Y210-W216 HydrophobicContact CG-CG 4.42Å; D212-W216 PolarHBondContact O-N 3.29Å; D212-W216 VanDerWaalsContact O-N 3.13Å; V213-W216 PolarHBondContact O-N 3.42Å; C214-W216 VanDerWaalsContact C-N 3.35Å; W216-R220 WeakPolarHBondContact O-CB 3.41Å; W216-R220 PolarHBondContact O-N 3.25Å |
| 217 | V | 43.8 | Very low | 43.8 | Very low | 10 Ų | 10 | 86.8 Ų | 86.8 | 6% | 0.061 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -59.8 | -51 | 175.4 | 169.8 | 0 | 0 | 0 | 0 | 110.7 | I179 V213 C214 H219 R220 F221 | I179-V217 HydrophobicContact CD1-CG2 3.42Å; I179-V217 VanDerWaalsContact CD1-CG2 3.42Å; I179-V217 HydrophobicContact CG1-CG2 4.21Å; V213-V217 HydrophobicContact CG1-CG2 4.26Å; V213-V217 VanDerWaalsContact O-CG2 3.29Å; V213-V217 WeakPolarHBondContact O-CG2 3.4Å; V213-V217 PolarHBondContact O-N 3.26Å; C214-V217 PolarHBondContact O-N 2.66Å; V217-H219 PolarHBondContact O-N 3.25Å; V217-R220 WeakPolarHBondContact O-CB 3.48Å; V217-R220 PolarHBondContact O-N 3.21Å; V217-F221 HydrophobicContact CG1-CD2 3.61Å; V217-F221 HydrophobicContact CG1-CE2 3.86Å; V217-F221 VanDerWaalsContact O-CD2 3.28Å; V217-F221 WeakPolarHBondContact O-CD2 3.4Å; V217-F221 PolarHBondContact O-N 3.38Å |
| 218 | Y | 37.3 | Very low | 43.2 | Very low | 160 Ų | 160 | 92.2 Ų | 92.2 | 63% | 0.627 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -57 | -47.9 | -177.4 | -178.7 | -97.7 | 0 | 0 | 0 | 112.4 | C214 R220 C222 | C214-Y218 VanDerWaalsContact O-CB 3.31Å; C214-Y218 WeakPolarHBondContact O-CB 3.18Å; C214-Y218 PolarHBondContact O-N 3.45Å; Y218-R220 PolarHBondContact O-N 2.85Å; Y218-C222 HydrophobicContact CE2-CB 4.32Å; Y218-C222 VanDerWaalsContact O-CB 3.31Å; Y218-C222 WeakPolarHBondContact O-CB 3.32Å; Y218-C222 PolarHBondContact O-N 3.29Å |
| 219 | H | 40.7 | Very low | 42.8 | Very low | 55 Ų | 55 | 87 Ų | 87 | 26% | 0.255 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.4 | -21.1 | -179.6 | -153.3 | -79.5 | 0 | 0 | 0 | 113.1 | Y210 R215 V217 G224 D226 | Y210-H219 HydrophobicContact CD1-CB 4.26Å; Y210-H219 HydrophobicContact CE1-CB 3.53Å; Y210-H219 AromaticContact CE1-CD2 3.94Å; Y210-H219 AromaticContact CE1-CG 3.61Å; Y210-H219 PolarHBondContact OH-ND1 3.48Å; R215-H219 WeakPolarHBondContact O-CB 3.4Å; R215-H219 PolarHBondContact O-N 3.27Å; R215-H219 VanDerWaalsContact O-N 3.1Å; V217-H219 PolarHBondContact O-N 3.25Å; H219-G224 WeakPolarHBondContact CE1-CA 3.45Å; H219-G224 PolarHBondContact O-N 3.42Å; H219-D226 IonicContact NE2-OD1 2.98Å |
| 220 | R | 47.7 | Very low | 42.1 | Very low | 58 Ų | 58 | 85.3 Ų | 85.3 | 22% | 0.219 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -82.4 | -44.8 | 179.4 | -157.7 | 80.4 | -174.5 | 124 | 1.5 | 112.7 | R67 E83 L149 W216 V217 Y218 | R67-R220 VanDerWaalsContact NH1-NH2 3.12Å; E83-R220 IonicContact OE1-CZ 3.82Å; E83-R220 IonicContact OE1-NH1 2.79Å; E83-R220 PolarHBondContact OE1-NH1 3.4Å; E83-R220 IonicContact OE1-NH2 3.64Å; E83-R220 IonicContact OE2-CZ 3.75Å; E83-R220 IonicContact OE2-NH1 3.78Å; E83-R220 PolarHBondContact OE2-NH1 2.81Å; E83-R220 IonicContact OE2-NH2 2.57Å; E83-R220 PolarHBondContact OE2-NH2 3.45Å; L149-R220 VanDerWaalsContact CB-NH2 3.31Å; W216-R220 WeakPolarHBondContact O-CB 3.41Å; W216-R220 PolarHBondContact O-N 3.25Å; V217-R220 WeakPolarHBondContact O-CB 3.48Å; V217-R220 PolarHBondContact O-N 3.21Å; Y218-R220 PolarHBondContact O-N 2.85Å |
| 221 | F | 35.9 | Very low | 41.5 | Very low | 65 Ų | 65 | 86.1 Ų | 86.1 | 29% | 0.285 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -89.7 | -35.2 | -174.4 | -72.3 | -74.7 | 0 | 0 | 0 | 113.2 | F22 V217 G223 | F22-F221 HydrophobicContact CB-CB 4.47Å; F22-F221 HydrophobicContact CB-CD1 3.95Å; F22-F221 HydrophobicContact CB-CE1 4.48Å; F22-F221 HydrophobicContact CB-CG 4.3Å; F22-F221 AromaticContact CD1-CD1 3.81Å; F22-F221 HydrophobicContact CD1-CD1 3.81Å; F22-F221 HydrophobicContact CD1-CE1 4.14Å; F22-F221 HydrophobicContact CG-CD1 4.34Å; F22-F221 WeakPolarHBondContact O-CD2 3.39Å; V217-F221 HydrophobicContact CG1-CD2 3.61Å; V217-F221 HydrophobicContact CG1-CE2 3.86Å; V217-F221 VanDerWaalsContact O-CD2 3.28Å; V217-F221 WeakPolarHBondContact O-CD2 3.4Å; V217-F221 PolarHBondContact O-N 3.38Å; F221-G223 PolarHBondContact O-N 3.03Å |
| 222 | C | 36 | Very low | 40.9 | Very low | 82 Ų | 82 | 86.8 Ų | 86.8 | 55% | 0.554 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -83.9 | -1.1 | -179.9 | -62.5 | 0 | 0 | 0 | 0 | 113.3 | Y218 | Y218-C222 HydrophobicContact CE2-CB 4.32Å; Y218-C222 VanDerWaalsContact O-CB 3.31Å; Y218-C222 WeakPolarHBondContact O-CB 3.32Å; Y218-C222 PolarHBondContact O-N 3.29Å |
| 223 | G | 34.3 | Very low | 40.2 | Very low | 40 Ų | 40 | 89.3 Ų | 89.3 | 41% | 0.412 | 50% | 0.498 | S | S | . | . | trans | 69.2 | 129.4 | -171 | 0 | 0 | 0 | 0 | 0 | 110.1 | F221 A225 | F221-G223 PolarHBondContact O-N 3.03Å; G223-A225 PolarHBondContact O-N 2.8Å | ||
| 224 | G | 34.9 | Very low | 39.3 | Very low | 45 Ų | 45 | 93.4 Ų | 93.4 | 46% | 0.464 | 52% | 0.519 | S | S | . | . | trans | -62.4 | 89.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110 | H219 D226 | H219-G224 WeakPolarHBondContact CE1-CA 3.45Å; H219-G224 PolarHBondContact O-N 3.42Å; G224-D226 PolarHBondContact O-N 3.32Å | ||
| 225 | A | 35.5 | Very low | 38.8 | Very low | 85 Ų | 85 | 93.4 Ų | 93.4 | 70% | 0.702 | 51% | 0.512 | S | S | * | . | trans | -71.3 | 74.6 | 147.5 | 0 | 0 | 0 | 0 | 0 | 106 | G223 S227 | G223-A225 PolarHBondContact O-N 2.8Å; A225-S227 VanDerWaalsContact C-N 3.32Å; A225-S227 PolarHBondContact O-N 2.99Å; A225-S227 PolarHBondContact O-OG 3Å | ||
| 226 | D | 39.7 | Very low | 38.1 | Very low | 109 Ų | 109 | 89.3 Ų | 89.3 | 58% | 0.583 | 51% | 0.508 | S | S | * | . | trans | -54.7 | 111 | 157.6 | -88.9 | -33 | 0 | 0 | 0 | 104.6 | H219 G224 D228 | H219-D226 IonicContact NE2-OD1 2.98Å; G224-D226 PolarHBondContact O-N 3.32Å; D226-D228 PolarHBondContact O-N 3.12Å | ||
| 227 | S | 29.7 | Very low | 37.2 | Very low | 112 Ų | 112 | 88.4 Ų | 88.4 | 78% | 0.783 | 52% | 0.519 | S | S | * | . | trans | -74.6 | 105 | 177.4 | -46.8 | 0 | 0 | 0 | 0 | 106.1 | A225 | A225-S227 VanDerWaalsContact C-N 3.32Å; A225-S227 PolarHBondContact O-N 2.99Å; A225-S227 PolarHBondContact O-OG 3Å | ||
| 228 | D | 31.6 | Very low | 36.7 | Very low | 240 Ų | 240 | 95.5 Ų | 95.5 | 100% | 1.283 | 56% | 0.561 | S | S | * | * | trans | -126.1 | 0 | 151.5 | -78.7 | -33 | 0 | 0 | 0 | 107.3 | D226 | D226-D228 PolarHBondContact O-N 3.12Š|
Retrieved 228 of 228 residues in 42.3 ms
(Link to these results)