| 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 | 60.6 | Low | 69.1 | Low | 211 Ų | 211 | 119.6 Ų | 119.6 | 100% | 1.039 | 61% | 0.613 | S | S | * | * | 0 | -50.4 | 0 | -97.5 | -178.3 | -87.4 | 0 | 0 | 113.5 | L3 H4 A5 | M1-L3 PolarHBondContact O-N 3.13Å; M1-H4 PolarHBondContact O-N 3.44Å; M1-A5 WeakPolarHBondContact O-CB 3.38Å; M1-A5 PolarHBondContact O-N 3.28Å | |||
| 2 | V | 69.4 | Low | 68.9 | Low | 111 Ų | 111 | 115.3 Ų | 115.3 | 67% | 0.673 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -61.4 | -45 | -177.1 | 179 | 0 | 0 | 0 | 0 | 113.5 | H4 A5 I6 | V2-H4 PolarHBondContact O-N 2.82Å; V2-A5 PolarHBondContact O-N 3.28Å; V2-I6 HydrophobicContact CG1-CD1 3.67Å; V2-I6 HydrophobicContact CG1-CG1 4.33Å; V2-I6 WeakPolarHBondContact O-CB 3.21Å; V2-I6 VanDerWaalsContact O-CG1 3.24Å; V2-I6 WeakPolarHBondContact O-CG1 2.87Å; V2-I6 PolarHBondContact O-N 3.48Å |
| 3 | L | 69.1 | Low | 68.6 | Low | 126 Ų | 126 | 112.2 Ų | 112.2 | 66% | 0.66 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.7 | -40.2 | 178 | -172.4 | 66.4 | 0 | 0 | 0 | 112.8 | M1 I6 L7 | M1-L3 PolarHBondContact O-N 3.13Å; L3-I6 PolarHBondContact O-N 3.21Å; L3-L7 HydrophobicContact CG-CD1 4.07Å; L3-L7 WeakPolarHBondContact O-CB 3.33Å; L3-L7 VanDerWaalsContact O-CG 3.29Å; L3-L7 WeakPolarHBondContact O-CG 3.5Å; L3-L7 PolarHBondContact O-N 3.36Å |
| 4 | H | 72.5 | Confident | 68.2 | Low | 151 Ų | 151 | 108.9 Ų | 108.9 | 70% | 0.699 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -66.3 | -37.4 | 174.9 | -102.9 | -82.2 | 0 | 0 | 0 | 112.2 | M1 V2 A8 | M1-H4 PolarHBondContact O-N 3.44Å; V2-H4 PolarHBondContact O-N 2.82Å; H4-A8 WeakPolarHBondContact O-CB 3.24Å; H4-A8 PolarHBondContact O-N 3.17Å |
| 5 | A | 66.6 | Low | 68 | Low | 59 Ų | 59 | 115.3 Ų | 115.3 | 49% | 0.488 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.3 | -39.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | M1 V2 A8 R9 | M1-A5 WeakPolarHBondContact O-CB 3.38Å; M1-A5 PolarHBondContact O-N 3.28Å; V2-A5 PolarHBondContact O-N 3.28Å; A5-A8 PolarHBondContact O-N 2.94Å; A5-R9 WeakPolarHBondContact O-CB 3.48Å; A5-R9 PolarHBondContact O-N 3.01Å |
| 6 | I | 68.9 | Low | 67.2 | Low | 101 Ų | 101 | 118.1 Ų | 118.1 | 52% | 0.518 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.5 | -45.4 | 175.2 | -69 | 168.3 | 0 | 0 | 0 | 110.8 | V2 L3 R9 G10 | V2-I6 HydrophobicContact CG1-CD1 3.67Å; V2-I6 HydrophobicContact CG1-CG1 4.33Å; V2-I6 WeakPolarHBondContact O-CB 3.21Å; V2-I6 VanDerWaalsContact O-CG1 3.24Å; V2-I6 WeakPolarHBondContact O-CG1 2.87Å; V2-I6 PolarHBondContact O-N 3.48Å; L3-I6 PolarHBondContact O-N 3.21Å; I6-R9 PolarHBondContact O-N 2.93Å; I6-G10 PolarHBondContact O-N 3.38Å |
| 7 | L | 71.2 | Confident | 66.9 | Low | 104 Ų | 104 | 113.1 Ų | 113.1 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.9 | -37.9 | 176.2 | -74.2 | 168.6 | 0 | 0 | 0 | 111.9 | L3 G10 R11 | L3-L7 HydrophobicContact CG-CD1 4.07Å; L3-L7 WeakPolarHBondContact O-CB 3.33Å; L3-L7 VanDerWaalsContact O-CG 3.29Å; L3-L7 WeakPolarHBondContact O-CG 3.5Å; L3-L7 PolarHBondContact O-N 3.36Å; L7-G10 PolarHBondContact O-N 2.81Å; L7-R11 VanDerWaalsContact O-CB 3.29Å; L7-R11 WeakPolarHBondContact O-CB 3.29Å; L7-R11 PolarHBondContact O-N 3.25Å |
| 8 | A | 70.4 | Confident | 66.8 | Low | 33 Ų | 33 | 107.8 Ų | 107.8 | 27% | 0.273 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65 | -45.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | H4 A5 G10 R11 D12 | H4-A8 WeakPolarHBondContact O-CB 3.24Å; H4-A8 PolarHBondContact O-N 3.17Å; A5-A8 PolarHBondContact O-N 2.94Å; A8-G10 VanDerWaalsContact C-N 3.34Å; A8-G10 PolarHBondContact O-N 2.91Å; A8-R11 PolarHBondContact O-N 2.97Å; A8-D12 PolarHBondContact O-N 3.43Å |
| 9 | R | 68.8 | Low | 66.5 | Low | 200 Ų | 200 | 103.4 Ų | 103.4 | 76% | 0.755 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.6 | -43.4 | 172.8 | -118.7 | 178.1 | 178.1 | -174.3 | -0.1 | 111.6 | A5 I6 D12 V13 | A5-R9 WeakPolarHBondContact O-CB 3.48Å; A5-R9 PolarHBondContact O-N 3.01Å; I6-R9 PolarHBondContact O-N 2.93Å; R9-D12 PolarHBondContact O-N 2.98Å; R9-V13 WeakPolarHBondContact O-CB 3.06Å; R9-V13 WeakPolarHBondContact O-CG2 3.46Å; R9-V13 PolarHBondContact O-N 3.48Å |
| 10 | G | 68.8 | Low | 66.3 | Low | 41 Ų | 41 | 100.5 Ų | 100.5 | 42% | 0.423 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | I6 L7 A8 V13 C14 | I6-G10 PolarHBondContact O-N 3.38Å; L7-G10 PolarHBondContact O-N 2.81Å; A8-G10 VanDerWaalsContact C-N 3.34Å; A8-G10 PolarHBondContact O-N 2.91Å; G10-V13 PolarHBondContact O-N 3.46Å; G10-C14 VanDerWaalsContact O-CB 3.3Å; G10-C14 WeakPolarHBondContact O-CB 3.16Å; G10-C14 PolarHBondContact O-N 2.96Å |
| 11 | R | 73.8 | Confident | 66.4 | Low | 179 Ų | 179 | 98.2 Ų | 98.2 | 68% | 0.675 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.5 | -40.3 | 175.2 | -178.7 | 173.3 | 51.2 | 176.2 | -5.4 | 112.4 | L7 A8 C14 R15 | L7-R11 VanDerWaalsContact O-CB 3.29Å; L7-R11 WeakPolarHBondContact O-CB 3.29Å; L7-R11 PolarHBondContact O-N 3.25Å; A8-R11 PolarHBondContact O-N 2.97Å; R11-C14 PolarHBondContact O-N 3.07Å; R11-R15 VanDerWaalsContact O-CB 3.31Å; R11-R15 WeakPolarHBondContact O-CB 3.45Å; R11-R15 PolarHBondContact O-N 3.08Å |
| 12 | D | 67 | Low | 67.2 | Low | 68 Ų | 68 | 91.9 Ų | 91.9 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.5 | -39.1 | 175.6 | -84.1 | -23.1 | 0 | 0 | 0 | 112.6 | A8 R9 R15 R16 | A8-D12 PolarHBondContact O-N 3.43Å; R9-D12 PolarHBondContact O-N 2.98Å; D12-R15 PolarHBondContact O-N 3.47Å; D12-R16 WeakPolarHBondContact O-CB 3.35Å; D12-R16 VanDerWaalsContact O-CG 3.26Å; D12-R16 WeakPolarHBondContact O-CG 3.38Å; D12-R16 PolarHBondContact O-N 3.49Å; D12-R16 VanDerWaalsContact O-N 3.12Å |
| 13 | V | 64.3 | Low | 67.2 | Low | 74 Ų | 74 | 87.6 Ų | 87.6 | 45% | 0.448 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 173.4 | 170.2 | 0 | 0 | 0 | 0 | 110.4 | R9 G10 R15 R16 N17 | R9-V13 WeakPolarHBondContact O-CB 3.06Å; R9-V13 WeakPolarHBondContact O-CG2 3.46Å; R9-V13 PolarHBondContact O-N 3.48Å; G10-V13 PolarHBondContact O-N 3.46Å; V13-R15 VanDerWaalsContact C-N 3.33Å; V13-R15 PolarHBondContact O-N 3.21Å; V13-R16 PolarHBondContact O-N 3.46Å; V13-N17 PolarHBondContact O-N 2.98Å; V13-N17 PolarHBondContact O-ND2 3.35Å |
| 14 | C | 63.2 | Low | 67.5 | Low | 67 Ų | 67 | 83.5 Ų | 83.5 | 45% | 0.453 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 178.8 | -153.6 | 0 | 0 | 0 | 0 | 111.8 | G10 R11 R16 G18 | G10-C14 VanDerWaalsContact O-CB 3.3Å; G10-C14 WeakPolarHBondContact O-CB 3.16Å; G10-C14 PolarHBondContact O-N 2.96Å; R11-C14 PolarHBondContact O-N 3.07Å; C14-R16 VanDerWaalsContact C-N 3.33Å; C14-R16 PolarHBondContact O-N 3.22Å; C14-G18 WeakPolarHBondContact O-CA 3.44Å; C14-G18 PolarHBondContact O-N 2.86Å |
| 15 | R | 64.7 | Low | 68 | Low | 205 Ų | 205 | 80.6 Ų | 80.6 | 77% | 0.774 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -69.7 | -29.3 | 176.4 | -161.3 | 177.9 | 116.9 | -164.5 | 6 | 112.9 | R11 D12 V13 | R11-R15 VanDerWaalsContact O-CB 3.31Å; R11-R15 WeakPolarHBondContact O-CB 3.45Å; R11-R15 PolarHBondContact O-N 3.08Å; D12-R15 PolarHBondContact O-N 3.47Å; V13-R15 VanDerWaalsContact C-N 3.33Å; V13-R15 PolarHBondContact O-N 3.21Å |
| 16 | R | 55.3 | Low | 68.9 | Low | 160 Ų | 160 | 78.5 Ų | 78.5 | 60% | 0.604 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -87.4 | -32.8 | -179.6 | -70 | 174.4 | -171.8 | -173.3 | 3.9 | 113.5 | D12 V13 C14 | D12-R16 WeakPolarHBondContact O-CB 3.35Å; D12-R16 VanDerWaalsContact O-CG 3.26Å; D12-R16 WeakPolarHBondContact O-CG 3.38Å; D12-R16 PolarHBondContact O-N 3.49Å; D12-R16 VanDerWaalsContact O-N 3.12Å; V13-R16 PolarHBondContact O-N 3.46Å; C14-R16 VanDerWaalsContact C-N 3.33Å; C14-R16 PolarHBondContact O-N 3.22Å |
| 17 | N | 62 | Low | 69.5 | Low | 33 Ų | 33 | 74.6 Ų | 74.6 | 18% | 0.176 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -117.9 | 16.4 | -174.1 | -57.5 | -49.6 | 0 | 0 | 0 | 113.3 | V13 L19 L20 I21 S343 | V13-N17 PolarHBondContact O-N 2.98Å; V13-N17 PolarHBondContact O-ND2 3.35Å; N17-L19 VanDerWaalsContact C-N 3.33Å; N17-L19 PolarHBondContact O-N 3.45Å; N17-L20 PolarHBondContact O-N 2.86Å; N17-L20 VanDerWaalsContact O-N 3.09Å; N17-I21 HydrophobicContact CB-CD1 3.91Å; N17-I21 HydrophobicContact CB-CG1 4.24Å; N17-I21 WeakPolarHBondContact O-CG1 3.49Å; N17-I21 PolarHBondContact O-N 3.5Å; N17-S343 PolarHBondContact OD1-O 3.03Å; N17-S343 PolarHBondContact OD1-OG 3.45Å |
| 18 | G | 65.7 | Low | 70.2 | Confident | 18 Ų | 18 | 73.8 Ų | 73.8 | 19% | 0.186 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -52.3 | -45.5 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | C14 L20 I21 L22 | C14-G18 WeakPolarHBondContact O-CA 3.44Å; C14-G18 PolarHBondContact O-N 2.86Å; G18-L20 PolarHBondContact O-N 2.84Å; G18-I21 PolarHBondContact O-N 3.24Å; G18-L22 VanDerWaalsContact O-CB 3.29Å; G18-L22 WeakPolarHBondContact O-CB 3.35Å; G18-L22 WeakPolarHBondContact O-CD1 3.43Å; G18-L22 WeakPolarHBondContact O-CG 3.16Å; G18-L22 PolarHBondContact O-N 2.81Å |
| 19 | L | 61.9 | Low | 71.2 | Confident | 24 Ų | 24 | 75.7 Ų | 75.7 | 13% | 0.126 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.7 | -42.8 | -179.7 | -174.8 | 70.9 | 0 | 0 | 0 | 112.8 | N17 L22 S23 V265 W266 P269 | N17-L19 VanDerWaalsContact C-N 3.33Å; N17-L19 PolarHBondContact O-N 3.45Å; L19-L22 PolarHBondContact O-N 3.42Å; L19-S23 PolarHBondContact O-N 3.31Å; L19-S23 PolarHBondContact O-OG 3.35Å; L19-S23 VanDerWaalsContact O-OG 3.06Å; L19-V265 HydrophobicContact CD1-CG1 4.38Å; L19-V265 WeakPolarHBondContact CD1-O 3.26Å; L19-V265 HydrophobicContact CD2-CG1 3.34Å; L19-V265 HydrophobicContact CG-CG1 4.46Å; L19-W266 HydrophobicContact CD1-CE3 4.47Å; L19-P269 HydrophobicContact CD1-CG 3.76Å |
| 20 | L | 61.4 | Low | 72.2 | Confident | 44 Ų | 44 | 66.2 Ų | 66.2 | 23% | 0.23 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.4 | -42.1 | -179.9 | -176.9 | 144.2 | 0 | 0 | 0 | 111 | N17 G18 L22 S23 V24 | N17-L20 PolarHBondContact O-N 2.86Å; N17-L20 VanDerWaalsContact O-N 3.09Å; G18-L20 PolarHBondContact O-N 2.84Å; L20-L22 VanDerWaalsContact C-N 3.32Å; L20-S23 PolarHBondContact O-N 2.98Å; L20-V24 HydrophobicContact CD2-CG2 4.26Å; L20-V24 WeakPolarHBondContact O-CG2 3.21Å; L20-V24 PolarHBondContact O-N 2.88Å |
| 21 | I | 69.8 | Low | 73.1 | Confident | 53 Ų | 53 | 66.1 Ų | 66.1 | 27% | 0.272 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 175.8 | -66 | 167.8 | 0 | 0 | 0 | 109.7 | N17 G18 V24 L25 | N17-I21 HydrophobicContact CB-CD1 3.91Å; N17-I21 HydrophobicContact CB-CG1 4.24Å; N17-I21 WeakPolarHBondContact O-CG1 3.49Å; N17-I21 PolarHBondContact O-N 3.5Å; G18-I21 PolarHBondContact O-N 3.24Å; I21-V24 PolarHBondContact O-N 3.01Å; I21-L25 HydrophobicContact CG2-CD1 3.75Å; I21-L25 HydrophobicContact CG2-CG 4.31Å; I21-L25 WeakPolarHBondContact O-CB 3.43Å; I21-L25 VanDerWaalsContact O-CG 3.23Å; I21-L25 WeakPolarHBondContact O-CG 3.29Å; I21-L25 PolarHBondContact O-N 2.91Å |
| 22 | L | 75.8 | Confident | 74 | Confident | 78 Ų | 78 | 63.2 Ų | 63.2 | 41% | 0.408 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59 | -47.6 | 175.4 | -75.4 | 166 | 0 | 0 | 0 | 111.3 | G18 L19 L20 V24 L25 S26 W266 P269 | G18-L22 VanDerWaalsContact O-CB 3.29Å; G18-L22 WeakPolarHBondContact O-CB 3.35Å; G18-L22 WeakPolarHBondContact O-CD1 3.43Å; G18-L22 WeakPolarHBondContact O-CG 3.16Å; G18-L22 PolarHBondContact O-N 2.81Å; L19-L22 PolarHBondContact O-N 3.42Å; L20-L22 VanDerWaalsContact C-N 3.32Å; L22-V24 PolarHBondContact O-N 3.17Å; L22-L25 PolarHBondContact O-N 3.33Å; L22-S26 VanDerWaalsContact O-CB 3.3Å; L22-S26 WeakPolarHBondContact O-CB 3.49Å; L22-S26 PolarHBondContact O-N 2.93Å; L22-S26 PolarHBondContact O-OG 3.06Å; L22-W266 HydrophobicContact CD1-CZ3 4.44Å; L22-P269 HydrophobicContact CB-CB 4Å; L22-P269 HydrophobicContact CB-CG 4.01Å |
| 23 | S | 70.3 | Confident | 75.2 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 15% | 0.147 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 178.9 | -61.3 | 0 | 0 | 0 | 0 | 113 | L19 L20 S26 V27 | L19-S23 PolarHBondContact O-N 3.31Å; L19-S23 PolarHBondContact O-OG 3.35Å; L19-S23 VanDerWaalsContact O-OG 3.06Å; L20-S23 PolarHBondContact O-N 2.98Å; S23-S26 WeakPolarHBondContact O-CB 3.45Å; S23-S26 PolarHBondContact O-N 3.45Å; S23-V27 WeakPolarHBondContact O-CG2 3.49Å; S23-V27 PolarHBondContact O-N 3.28Å |
| 24 | V | 75.8 | Confident | 76.4 | Confident | 40 Ų | 40 | 59 Ų | 59 | 24% | 0.242 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.3 | -44 | 177.2 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | L20 I21 L22 S26 V27 I28 W511 | L20-V24 HydrophobicContact CD2-CG2 4.26Å; L20-V24 WeakPolarHBondContact O-CG2 3.21Å; L20-V24 PolarHBondContact O-N 2.88Å; I21-V24 PolarHBondContact O-N 3.01Å; L22-V24 PolarHBondContact O-N 3.17Å; V24-S26 VanDerWaalsContact C-N 3.3Å; V24-S26 PolarHBondContact O-N 3.36Å; V24-V27 PolarHBondContact O-N 3.26Å; V24-I28 HydrophobicContact CG1-CD1 4.07Å; V24-I28 WeakPolarHBondContact O-CG1 3.46Å; V24-I28 PolarHBondContact O-N 2.94Å; V24-I28 VanDerWaalsContact O-N 3.1Å; V24-W511 HydrophobicContact CG2-CD2 4.47Å |
| 25 | L | 83.3 | Confident | 77.7 | Confident | 91 Ų | 91 | 60.9 Ų | 60.9 | 48% | 0.476 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 174.4 | -72.6 | 172.1 | 0 | 0 | 0 | 111.2 | I21 L22 V27 I28 V29 | I21-L25 HydrophobicContact CG2-CD1 3.75Å; I21-L25 HydrophobicContact CG2-CG 4.31Å; I21-L25 WeakPolarHBondContact O-CB 3.43Å; I21-L25 VanDerWaalsContact O-CG 3.23Å; I21-L25 WeakPolarHBondContact O-CG 3.29Å; I21-L25 PolarHBondContact O-N 2.91Å; L22-L25 PolarHBondContact O-N 3.33Å; L25-V27 PolarHBondContact O-N 3.1Å; L25-I28 PolarHBondContact O-N 3.42Å; L25-V29 WeakPolarHBondContact O-CB 3.19Å; L25-V29 VanDerWaalsContact O-CG2 3.24Å; L25-V29 WeakPolarHBondContact O-CG2 3.36Å; L25-V29 PolarHBondContact O-N 3.3Å |
| 26 | S | 84.7 | Confident | 79 | Confident | 14 Ų | 14 | 56.6 Ų | 56.6 | 10% | 0.098 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 176.4 | -72.7 | 0 | 0 | 0 | 0 | 113.1 | L22 S23 V24 G30 P269 V273 | L22-S26 VanDerWaalsContact O-CB 3.3Å; L22-S26 WeakPolarHBondContact O-CB 3.49Å; L22-S26 PolarHBondContact O-N 2.93Å; L22-S26 PolarHBondContact O-OG 3.06Å; S23-S26 WeakPolarHBondContact O-CB 3.45Å; S23-S26 PolarHBondContact O-N 3.45Å; V24-S26 VanDerWaalsContact C-N 3.3Å; V24-S26 PolarHBondContact O-N 3.36Å; S26-G30 PolarHBondContact O-N 2.77Å; S26-P269 WeakPolarHBondContact CB-O 3.49Å; S26-P269 VanDerWaalsContact OG-C 3.26Å; S26-P269 WeakPolarHBondContact OG-CB 3.38Å; S26-P269 PolarHBondContact OG-O 2.94Å; S26-V273 WeakPolarHBondContact O-CG2 3.28Å |
| 27 | V | 81.3 | Confident | 80.7 | Confident | 20 Ų | 20 | 50.4 Ų | 50.4 | 12% | 0.121 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 173.9 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | S23 V24 L25 G30 C31 I272 I276 A508 | S23-V27 WeakPolarHBondContact O-CG2 3.49Å; S23-V27 PolarHBondContact O-N 3.28Å; V24-V27 PolarHBondContact O-N 3.26Å; L25-V27 PolarHBondContact O-N 3.1Å; V27-G30 PolarHBondContact O-N 3.15Å; V27-C31 WeakPolarHBondContact O-CB 3.39Å; V27-C31 PolarHBondContact O-N 3.49Å; V27-C31 PolarHBondContact O-SG 2.87Å; V27-I272 HydrophobicContact CG2-CG2 3.95Å; V27-I276 HydrophobicContact CB-CD1 4.14Å; V27-I276 HydrophobicContact CG1-CD1 3.97Å; V27-I276 HydrophobicContact CG2-CD1 3.81Å; V27-A508 HydrophobicContact CG1-CB 4.24Å |
| 28 | I | 86.2 | Confident | 81.9 | Confident | 87 Ų | 87 | 52.3 Ų | 52.3 | 45% | 0.446 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.8 | -48.1 | 179.4 | -64.5 | 166.3 | 0 | 0 | 0 | 110.4 | V24 L25 C31 L32 | V24-I28 HydrophobicContact CG1-CD1 4.07Å; V24-I28 WeakPolarHBondContact O-CG1 3.46Å; V24-I28 PolarHBondContact O-N 2.94Å; V24-I28 VanDerWaalsContact O-N 3.1Å; L25-I28 PolarHBondContact O-N 3.42Å; I28-C31 PolarHBondContact O-N 2.92Å; I28-L32 HydrophobicContact CG2-CD1 3.97Å; I28-L32 HydrophobicContact CG2-CG 4.45Å; I28-L32 VanDerWaalsContact O-CG 3.3Å; I28-L32 WeakPolarHBondContact O-CG 3.29Å; I28-L32 PolarHBondContact O-N 3.32Å |
| 29 | V | 91.9 | Very high | 83 | Confident | 73 Ų | 73 | 55.9 Ų | 55.9 | 44% | 0.442 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 179 | 170.5 | 0 | 0 | 0 | 0 | 111 | L25 L32 L33 V273 | L25-V29 WeakPolarHBondContact O-CB 3.19Å; L25-V29 VanDerWaalsContact O-CG2 3.24Å; L25-V29 WeakPolarHBondContact O-CG2 3.36Å; L25-V29 PolarHBondContact O-N 3.3Å; V29-L32 PolarHBondContact O-N 2.76Å; V29-L33 WeakPolarHBondContact O-CB 3.31Å; V29-L33 PolarHBondContact O-N 3.44Å; V29-V273 HydrophobicContact CG1-CG1 4.11Å; V29-V273 HydrophobicContact CG1-CG2 4.48Å |
| 30 | G | 89.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S26 V27 G34 A277 | S26-G30 PolarHBondContact O-N 2.77Å; V27-G30 PolarHBondContact O-N 3.15Å; G30-G34 PolarHBondContact O-N 3.27Å; G30-A277 WeakPolarHBondContact O-CA 3.45Å; G30-A277 WeakPolarHBondContact O-CB 3.17Å |
| 31 | C | 87.1 | Confident | 85.4 | Confident | 39 Ų | 39 | 69.2 Ų | 69.2 | 26% | 0.264 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.4 | -50.6 | 174.8 | -72.7 | 0 | 0 | 0 | 0 | 111.9 | V27 I28 L33 G34 F35 I280 | V27-C31 WeakPolarHBondContact O-CB 3.39Å; V27-C31 PolarHBondContact O-N 3.49Å; V27-C31 PolarHBondContact O-SG 2.87Å; I28-C31 PolarHBondContact O-N 2.92Å; C31-L33 PolarHBondContact O-N 3.41Å; C31-G34 PolarHBondContact O-N 3.36Å; C31-F35 WeakPolarHBondContact O-CD2 3.13Å; C31-F35 PolarHBondContact O-N 3.24Å; C31-I280 HydrophobicContact CB-CD1 4.37Å |
| 32 | L | 91.8 | Very high | 86.3 | Confident | 118 Ų | 118 | 69.2 Ų | 69.2 | 62% | 0.618 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.2 | -44.3 | 179.8 | -69.5 | 174.1 | 0 | 0 | 0 | 111.7 | I28 V29 F36 | I28-L32 HydrophobicContact CG2-CD1 3.97Å; I28-L32 HydrophobicContact CG2-CG 4.45Å; I28-L32 VanDerWaalsContact O-CG 3.3Å; I28-L32 WeakPolarHBondContact O-CG 3.29Å; I28-L32 PolarHBondContact O-N 3.32Å; V29-L32 PolarHBondContact O-N 2.76Å; L32-F36 VanDerWaalsContact O-CB 3.28Å; L32-F36 WeakPolarHBondContact O-CB 3.48Å; L32-F36 PolarHBondContact O-N 3.32Å |
| 33 | L | 93.2 | Very high | 87 | Confident | 54 Ų | 54 | 67.8 Ų | 67.8 | 28% | 0.283 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -65.7 | -42.2 | 178.3 | -176.4 | 60.4 | 0 | 0 | 0 | 111.6 | V29 C31 F36 L37 F50 V273 A277 | V29-L33 WeakPolarHBondContact O-CB 3.31Å; V29-L33 PolarHBondContact O-N 3.44Å; C31-L33 PolarHBondContact O-N 3.41Å; L33-F36 PolarHBondContact O-N 3.38Å; L33-L37 HydrophobicContact CD1-CD1 3.92Å; L33-L37 HydrophobicContact CD1-CG 4Å; L33-L37 HydrophobicContact CG-CD1 3.84Å; L33-L37 HydrophobicContact CG-CG 4.32Å; L33-L37 WeakPolarHBondContact O-CB 3.44Å; L33-L37 VanDerWaalsContact O-CG 3.3Å; L33-L37 WeakPolarHBondContact O-CG 3.13Å; L33-L37 PolarHBondContact O-N 3.45Å; L33-F50 HydrophobicContact CD2-CE2 4.25Å; L33-F50 HydrophobicContact CD2-CZ 3.77Å; L33-F50 HydrophobicContact CG-CZ 4.16Å; L33-V273 HydrophobicContact CD2-CG1 4.1Å; L33-A277 HydrophobicContact CB-CB 4.38Å; L33-A277 HydrophobicContact CG-CB 4.4Å |
| 34 | G | 89.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.8 | -49 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G30 C31 F36 L37 R38 | G30-G34 PolarHBondContact O-N 3.27Å; C31-G34 PolarHBondContact O-N 3.36Å; G34-F36 VanDerWaalsContact C-N 3.33Å; G34-F36 PolarHBondContact O-N 2.86Å; G34-L37 PolarHBondContact O-N 3.43Å; G34-R38 WeakPolarHBondContact O-CB 3.39Å; G34-R38 PolarHBondContact O-N 3.47Å |
| 35 | F | 90.3 | Very high | 88.5 | Confident | 106 Ų | 106 | 76 Ų | 76 | 47% | 0.465 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.6 | -38.2 | 176.1 | -78.2 | -64.3 | 0 | 0 | 0 | 112.5 | C31 I280 P286 | C31-F35 WeakPolarHBondContact O-CD2 3.13Å; C31-F35 PolarHBondContact O-N 3.24Å; F35-I280 HydrophobicContact CD1-CG2 4.33Å; F35-I280 HydrophobicContact CE1-CG2 4.41Å; F35-I280 HydrophobicContact CE2-CD1 4.41Å; F35-P286 HydrophobicContact CE1-CB 3.68Å; F35-P286 HydrophobicContact CE1-CG 4Å; F35-P286 HydrophobicContact CZ-CB 3.93Å |
| 36 | F | 92.6 | Very high | 88.8 | Confident | 116 Ų | 116 | 76.3 Ų | 76.3 | 51% | 0.509 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.5 | -50.7 | 175.9 | 176.5 | -102.5 | 0 | 0 | 0 | 111.8 | L32 L33 G34 R38 T39 | L32-F36 VanDerWaalsContact O-CB 3.28Å; L32-F36 WeakPolarHBondContact O-CB 3.48Å; L32-F36 PolarHBondContact O-N 3.32Å; L33-F36 PolarHBondContact O-N 3.38Å; G34-F36 VanDerWaalsContact C-N 3.33Å; G34-F36 PolarHBondContact O-N 2.86Å; F36-R38 PolarHBondContact O-N 2.95Å; F36-T39 WeakPolarHBondContact O-CB 3.32Å; F36-T39 PolarHBondContact O-N 3.32Å; F36-T39 VanDerWaalsContact O-N 3.14Å; F36-T39 PolarHBondContact O-OG1 3.46Å |
| 37 | L | 91 | Very high | 89 | Confident | 29 Ų | 29 | 76.8 Ų | 76.8 | 15% | 0.152 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65 | -28.7 | -179.7 | -72.1 | 174.9 | 0 | 0 | 0 | 112.5 | L33 G34 T39 R40 L42 F50 L281 | L33-L37 HydrophobicContact CD1-CD1 3.92Å; L33-L37 HydrophobicContact CD1-CG 4Å; L33-L37 HydrophobicContact CG-CD1 3.84Å; L33-L37 HydrophobicContact CG-CG 4.32Å; L33-L37 WeakPolarHBondContact O-CB 3.44Å; L33-L37 VanDerWaalsContact O-CG 3.3Å; L33-L37 WeakPolarHBondContact O-CG 3.13Å; L33-L37 PolarHBondContact O-N 3.45Å; G34-L37 PolarHBondContact O-N 3.43Å; L37-T39 PolarHBondContact O-N 3.4Å; L37-R40 WeakPolarHBondContact O-CB 3.42Å; L37-R40 PolarHBondContact O-N 2.97Å; L37-L42 HydrophobicContact CB-CD1 3.91Å; L37-L42 HydrophobicContact CD2-CD1 4.3Å; L37-F50 HydrophobicContact CD1-CD1 4.34Å; L37-F50 HydrophobicContact CD1-CD2 4.11Å; L37-F50 HydrophobicContact CD1-CE1 3.75Å; L37-F50 HydrophobicContact CD1-CE2 3.48Å; L37-F50 VanDerWaalsContact CD1-CE2 3.48Å; L37-F50 HydrophobicContact CD1-CZ 3.27Å; L37-L281 HydrophobicContact CB-CD1 4.08Å; L37-L281 HydrophobicContact CB-CD2 3.8Å; L37-L281 HydrophobicContact CB-CG 4.44Å; L37-L281 HydrophobicContact CD1-CD1 4.31Å |
| 38 | R | 86.3 | Confident | 89.2 | Confident | 73 Ų | 73 | 78.8 Ų | 78.8 | 28% | 0.275 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.2 | -34.2 | 175 | -166.9 | -172.9 | -175.4 | 90.6 | 6.5 | 112.1 | G34 F36 R40 H41 I280 L281 M283 D284 | G34-R38 WeakPolarHBondContact O-CB 3.39Å; G34-R38 PolarHBondContact O-N 3.47Å; F36-R38 PolarHBondContact O-N 2.95Å; R38-R40 PolarHBondContact O-N 3.39Å; R38-R40 VanDerWaalsContact O-N 3.15Å; R38-H41 PolarHBondContact O-N 3.39Å; R38-I280 PolarHBondContact NH1-O 2.79Å; R38-L281 VanDerWaalsContact CA-CD2 3.49Å; R38-L281 HydrophobicContact CB-CD2 3.94Å; R38-L281 VanDerWaalsContact N-CD2 3.26Å; R38-M283 PolarHBondContact NH1-O 2.91Å; R38-M283 PolarHBondContact NH2-O 2.91Å; R38-D284 VanDerWaalsContact NH2-C 3.3Å; R38-D284 PolarHBondContact NH2-O 3Å |
| 39 | T | 88.9 | Confident | 89.6 | Confident | 94 Ų | 94 | 82.1 Ų | 82.1 | 58% | 0.577 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -13.3 | 177 | 69.5 | 0 | 0 | 0 | 0 | 113.6 | F36 L37 | F36-T39 WeakPolarHBondContact O-CB 3.32Å; F36-T39 PolarHBondContact O-N 3.32Å; F36-T39 VanDerWaalsContact O-N 3.14Å; F36-T39 PolarHBondContact O-OG1 3.46Å; L37-T39 PolarHBondContact O-N 3.4Å |
| 40 | R | 88.8 | Confident | 89.5 | Confident | 174 Ų | 174 | 80.9 Ų | 80.9 | 66% | 0.657 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -2.7 | -176.7 | -61.8 | -63.3 | -170.4 | 143.6 | -1.1 | 114.3 | L37 R38 L42 | L37-R40 WeakPolarHBondContact O-CB 3.42Å; L37-R40 PolarHBondContact O-N 2.97Å; R38-R40 PolarHBondContact O-N 3.39Å; R38-R40 VanDerWaalsContact O-N 3.15Å; R40-L42 PolarHBondContact O-N 3.31Å |
| 41 | H | 85.1 | Confident | 89.3 | Confident | 173 Ų | 173 | 82.3 Ų | 82.3 | 80% | 0.801 | 40% | 0.404 | S | S | * | . | trans | 45.7 | 60.4 | 178.4 | -66.4 | -77.9 | 0 | 0 | 0 | 113.7 | R38 | R38-H41 PolarHBondContact O-N 3.39Š| ||
| 42 | L | 87.4 | Confident | 89.5 | Confident | 54 Ų | 54 | 86.1 Ų | 86.1 | 28% | 0.283 | 42% | 0.416 | S | S | . | . | trans | -65.1 | 150 | 178 | -70.3 | 135.1 | 0 | 0 | 0 | 112 | L37 R40 E46 I47 L281 | L37-L42 HydrophobicContact CB-CD1 3.91Å; L37-L42 HydrophobicContact CD2-CD1 4.3Å; R40-L42 PolarHBondContact O-N 3.31Å; L42-E46 HydrophobicContact CB-CB 4.38Å; L42-E46 HydrophobicContact CD2-CB 3.91Å; L42-I47 HydrophobicContact CB-CG1 3.99Å; L42-L281 HydrophobicContact CD1-CD1 4.1Å; L42-L281 HydrophobicContact CD1-CD2 4.39Å | ||
| 43 | S | 91.2 | Very high | 89.5 | Confident | 48 Ų | 48 | 81.6 Ų | 81.6 | 34% | 0.336 | 39% | 0.394 | S | S | . | . | trans | -71.9 | 157.8 | 172.5 | 68.1 | 0 | 0 | 0 | 0 | 112 | Q45 E46 I47 | S43-Q45 PolarHBondContact O-N 3.13Å; S43-E46 WeakPolarHBondContact CB-OE2 3.23Å; S43-E46 PolarHBondContact N-OE2 2.96Å; S43-E46 PolarHBondContact O-N 3.45Å; S43-E46 VanDerWaalsContact O-N 3.15Å; S43-E46 WeakPolarHBondContact OG-CG 3.3Å; S43-E46 PolarHBondContact OG-N 3.42Å; S43-E46 PolarHBondContact OG-OE2 3.45Å; S43-I47 WeakPolarHBondContact O-CG1 3.3Å; S43-I47 PolarHBondContact O-N 3.4Å | ||
| 44 | P | 87.6 | Confident | 88.9 | Confident | 112 Ų | 112 | 79 Ų | 79 | 73% | 0.727 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -57.7 | -34.9 | 179 | -26.2 | 34.9 | 0 | 0 | 0 | 114 | I47 S48 | P44-I47 PolarHBondContact O-N 2.93Å; P44-S48 PolarHBondContact O-N 3.38Å; P44-S48 VanDerWaalsContact O-N 3.09Å |
| 45 | Q | 89.9 | Confident | 88.4 | Confident | 122 Ų | 122 | 82.4 Ų | 82.4 | 57% | 0.57 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -69 | -40.7 | 178.4 | -172.9 | 175.4 | -1.1 | 0 | 0 | 111.7 | S43 I47 S48 Y49 | S43-Q45 PolarHBondContact O-N 3.13Å; Q45-I47 VanDerWaalsContact C-N 3.34Å; Q45-S48 PolarHBondContact O-N 3.37Å; Q45-Y49 HydrophobicContact CG-CD2 4.37Å; Q45-Y49 HydrophobicContact CG-CE2 3.75Å; Q45-Y49 PolarHBondContact NE2-OH 3.45Å; Q45-Y49 PolarHBondContact O-N 3.08Å |
| 46 | E | 90.9 | Very high | 88.2 | Confident | 96 Ų | 96 | 80.6 Ų | 80.6 | 45% | 0.449 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.3 | -37.1 | 175.7 | -69.1 | 165.7 | 137.2 | 0 | 0 | 111.8 | L42 S43 S48 Y49 F50 | L42-E46 HydrophobicContact CB-CB 4.38Å; L42-E46 HydrophobicContact CD2-CB 3.91Å; S43-E46 WeakPolarHBondContact CB-OE2 3.23Å; S43-E46 PolarHBondContact N-OE2 2.96Å; S43-E46 PolarHBondContact O-N 3.45Å; S43-E46 VanDerWaalsContact O-N 3.15Å; S43-E46 WeakPolarHBondContact OG-CG 3.3Å; S43-E46 PolarHBondContact OG-N 3.42Å; S43-E46 PolarHBondContact OG-OE2 3.45Å; E46-S48 VanDerWaalsContact C-N 3.34Å; E46-Y49 PolarHBondContact O-N 3.41Å; E46-F50 VanDerWaalsContact O-CB 3.27Å; E46-F50 WeakPolarHBondContact O-CB 3.41Å; E46-F50 PolarHBondContact O-N 3.1Å |
| 47 | I | 88.2 | Confident | 87.4 | Confident | 24 Ų | 24 | 75.1 Ų | 75.1 | 12% | 0.123 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 174.2 | -65.7 | 168.9 | 0 | 0 | 0 | 110.3 | L42 S43 P44 Q45 Y49 F50 Q51 L281 E282 | L42-I47 HydrophobicContact CB-CG1 3.99Å; S43-I47 WeakPolarHBondContact O-CG1 3.3Å; S43-I47 PolarHBondContact O-N 3.4Å; P44-I47 PolarHBondContact O-N 2.93Å; Q45-I47 VanDerWaalsContact C-N 3.34Å; I47-Y49 PolarHBondContact O-N 3.15Å; I47-F50 PolarHBondContact O-N 3.37Å; I47-Q51 HydrophobicContact CG2-CG 4.42Å; I47-Q51 WeakPolarHBondContact O-CB 3.24Å; I47-Q51 WeakPolarHBondContact O-CG 3.31Å; I47-Q51 PolarHBondContact O-N 3.23Å; I47-L281 HydrophobicContact CD1-CB 4.32Å; I47-L281 HydrophobicContact CG1-CB 4.38Å; I47-L281 HydrophobicContact CG1-CD1 4.45Å; I47-L281 HydrophobicContact CG2-CB 4.37Å; I47-E282 HydrophobicContact CG2-CG 4.24Å |
| 48 | S | 86.1 | Confident | 86.4 | Confident | 62 Ų | 62 | 74.2 Ų | 74.2 | 43% | 0.434 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 177 | -179.7 | 0 | 0 | 0 | 0 | 112.1 | P44 Q45 E46 F50 Q51 F52 | P44-S48 PolarHBondContact O-N 3.38Å; P44-S48 VanDerWaalsContact O-N 3.09Å; Q45-S48 PolarHBondContact O-N 3.37Å; E46-S48 VanDerWaalsContact C-N 3.34Å; S48-F50 VanDerWaalsContact C-N 3.35Å; S48-F50 PolarHBondContact O-N 2.91Å; S48-Q51 PolarHBondContact O-N 2.91Å; S48-F52 PolarHBondContact O-N 3.23Å |
| 49 | Y | 92.7 | Very high | 86.2 | Confident | 157 Ų | 157 | 78.1 Ų | 78.1 | 62% | 0.616 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.9 | -38.5 | 176.1 | -65 | -23.1 | 0 | 0 | 0 | 112.9 | Q45 E46 I47 Q51 F52 | Q45-Y49 HydrophobicContact CG-CD2 4.37Å; Q45-Y49 HydrophobicContact CG-CE2 3.75Å; Q45-Y49 PolarHBondContact NE2-OH 3.45Å; Q45-Y49 PolarHBondContact O-N 3.08Å; E46-Y49 PolarHBondContact O-N 3.41Å; I47-Y49 PolarHBondContact O-N 3.15Å; Y49-Q51 VanDerWaalsContact C-N 3.34Å; Y49-F52 WeakPolarHBondContact O-CB 3.28Å; Y49-F52 PolarHBondContact O-N 3.44Å |
| 50 | F | 91 | Very high | 85.6 | Confident | 47 Ų | 47 | 76.1 Ų | 76.1 | 21% | 0.206 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.8 | -36.6 | 176.9 | 178.5 | -99 | 0 | 0 | 0 | 112.4 | L33 L37 E46 I47 S48 F52 P53 F274 A277 L281 | L33-F50 HydrophobicContact CD2-CE2 4.25Å; L33-F50 HydrophobicContact CD2-CZ 3.77Å; L33-F50 HydrophobicContact CG-CZ 4.16Å; L37-F50 HydrophobicContact CD1-CD1 4.34Å; L37-F50 HydrophobicContact CD1-CD2 4.11Å; L37-F50 HydrophobicContact CD1-CE1 3.75Å; L37-F50 HydrophobicContact CD1-CE2 3.48Å; L37-F50 VanDerWaalsContact CD1-CE2 3.48Å; L37-F50 HydrophobicContact CD1-CZ 3.27Å; E46-F50 VanDerWaalsContact O-CB 3.27Å; E46-F50 WeakPolarHBondContact O-CB 3.41Å; E46-F50 PolarHBondContact O-N 3.1Å; I47-F50 PolarHBondContact O-N 3.37Å; S48-F50 VanDerWaalsContact C-N 3.35Å; S48-F50 PolarHBondContact O-N 2.91Å; F50-F52 VanDerWaalsContact C-N 3.33Å; F50-F52 PolarHBondContact O-N 3.14Å; F50-P53 WeakPolarHBondContact O-CD 3.48Å; F50-F274 HydrophobicContact CD2-CD1 4.33Å; F50-F274 HydrophobicContact CE1-CD1 4.32Å; F50-F274 AromaticContact CE2-CD1 3.89Å; F50-F274 HydrophobicContact CE2-CD1 3.89Å; F50-F274 AromaticContact CE2-CE1 3.97Å; F50-F274 HydrophobicContact CE2-CE1 3.97Å; F50-F274 AromaticContact CZ-CD1 3.87Å; F50-F274 HydrophobicContact CZ-CD1 3.87Å; F50-F274 HydrophobicContact CZ-CE1 4.3Å; F50-F274 WeakPolarHBondContact O-CD1 3.48Å; F50-A277 HydrophobicContact CE1-CB 3.64Å; F50-A277 HydrophobicContact CZ-CB 3.92Å; F50-L281 HydrophobicContact CD1-CD1 4.08Å; F50-L281 HydrophobicContact CE1-CD1 4.28Å |
| 51 | Q | 86.3 | Confident | 84.6 | Confident | 31 Ų | 31 | 68.7 Ų | 68.7 | 15% | 0.145 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -75.6 | -16.5 | 179.3 | -79.7 | 178.7 | 9.3 | 0 | 0 | 114.9 | I47 S48 Y49 P53 G54 E55 G278 E282 | I47-Q51 HydrophobicContact CG2-CG 4.42Å; I47-Q51 WeakPolarHBondContact O-CB 3.24Å; I47-Q51 WeakPolarHBondContact O-CG 3.31Å; I47-Q51 PolarHBondContact O-N 3.23Å; S48-Q51 PolarHBondContact O-N 2.91Å; Y49-Q51 VanDerWaalsContact C-N 3.34Å; Q51-P53 VanDerWaalsContact C-CD 3.45Å; Q51-G54 VanDerWaalsContact O-CA 3.32Å; Q51-G54 WeakPolarHBondContact O-CA 3.4Å; Q51-G54 PolarHBondContact O-N 2.88Å; Q51-E55 PolarHBondContact O-N 3.12Å; Q51-G278 PolarHBondContact NE2-O 2.97Å; Q51-E282 PolarHBondContact NE2-OE1 3.47Å; Q51-E282 PolarHBondContact OE1-OE1 2.95Å; Q51-E282 VanDerWaalsContact OE1-OE1 3.11Å |
| 52 | F | 91.4 | Very high | 83.8 | Confident | 118 Ų | 118 | 64.5 Ų | 64.5 | 52% | 0.518 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -49.4 | -44.2 | -172.3 | 177.7 | -101.4 | 0 | 0 | 0 | 115.2 | S48 Y49 F50 G54 E55 L56 | S48-F52 PolarHBondContact O-N 3.23Å; Y49-F52 WeakPolarHBondContact O-CB 3.28Å; Y49-F52 PolarHBondContact O-N 3.44Å; F50-F52 VanDerWaalsContact C-N 3.33Å; F50-F52 PolarHBondContact O-N 3.14Å; F52-G54 PolarHBondContact O-N 2.5Å; F52-E55 WeakPolarHBondContact O-CB 3.3Å; F52-E55 PolarHBondContact O-N 2.98Å; F52-E55 VanDerWaalsContact O-N 3.15Å; F52-L56 PolarHBondContact O-N 3.43Å |
| 53 | P | 90.9 | Very high | 83.6 | Confident | 24 Ų | 24 | 68 Ų | 68 | 16% | 0.156 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.2 | -32 | 176.6 | -24.1 | 35.5 | 0 | 0 | 0 | 113.4 | F50 Q51 L57 Y267 F270 F274 | F50-P53 WeakPolarHBondContact O-CD 3.48Å; Q51-P53 VanDerWaalsContact C-CD 3.45Å; P53-L57 PolarHBondContact O-N 3.39Å; P53-Y267 WeakPolarHBondContact CA-OH 3.26Å; P53-Y267 WeakPolarHBondContact O-CE1 3.26Å; P53-Y267 PolarHBondContact O-OH 3.4Å; P53-F270 HydrophobicContact CB-CE1 3.82Å; P53-F270 HydrophobicContact CB-CZ 4.44Å; P53-F274 HydrophobicContact CB-CB 4.23Å; P53-F274 HydrophobicContact CB-CD2 3.7Å; P53-F274 HydrophobicContact CB-CE2 4.24Å; P53-F274 HydrophobicContact CB-CG 3.94Å; P53-F274 HydrophobicContact CG-CB 4.48Å; P53-F274 HydrophobicContact CG-CD1 4.18Å; P53-F274 HydrophobicContact CG-CD2 4.04Å; P53-F274 HydrophobicContact CG-CE1 4.46Å; P53-F274 HydrophobicContact CG-CE2 4.33Å; P53-F274 HydrophobicContact CG-CG 3.96Å |
| 54 | G | 79.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -73 | -42.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q51 F52 L56 L57 M58 L275 | Q51-G54 VanDerWaalsContact O-CA 3.32Å; Q51-G54 WeakPolarHBondContact O-CA 3.4Å; Q51-G54 PolarHBondContact O-N 2.88Å; F52-G54 PolarHBondContact O-N 2.5Å; G54-L56 VanDerWaalsContact C-N 3.26Å; G54-L56 PolarHBondContact O-N 3.27Å; G54-L57 WeakPolarHBondContact O-CB 3.48Å; G54-L57 PolarHBondContact O-N 2.84Å; G54-L57 VanDerWaalsContact O-N 3.09Å; G54-M58 PolarHBondContact O-N 3.36Å; G54-L275 VanDerWaalsContact CA-CD2 3.46Å; G54-L275 WeakPolarHBondContact O-CD2 3.48Å |
| 55 | E | 80.6 | Confident | 82.1 | Confident | 70 Ų | 70 | 60.9 Ų | 60.9 | 33% | 0.327 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.8 | -41.5 | 173.6 | -166.8 | -163 | 148.8 | 0 | 0 | 111.3 | Q51 F52 L57 M58 R59 | Q51-E55 PolarHBondContact O-N 3.12Å; F52-E55 WeakPolarHBondContact O-CB 3.3Å; F52-E55 PolarHBondContact O-N 2.98Å; F52-E55 VanDerWaalsContact O-N 3.15Å; E55-L57 VanDerWaalsContact C-N 3.28Å; E55-L57 PolarHBondContact O-N 3.33Å; E55-M58 PolarHBondContact O-N 3.47Å; E55-M58 VanDerWaalsContact O-N 3.1Å; E55-R59 WeakPolarHBondContact O-CG 3.43Å; E55-R59 PolarHBondContact O-N 2.97Å; E55-R59 IonicContact OE1-CZ 3.16Å; E55-R59 IonicContact OE1-NE 2.81Å; E55-R59 PolarHBondContact OE1-NE 3.39Å; E55-R59 IonicContact OE1-NH2 2.68Å; E55-R59 PolarHBondContact OE1-NH2 3.03Å |
| 56 | L | 85.1 | Confident | 81.8 | Confident | 69 Ų | 69 | 57.8 Ų | 57.8 | 36% | 0.361 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.3 | -40.7 | 175.7 | -172.6 | 64.4 | 0 | 0 | 0 | 111.8 | F52 G54 M58 R59 M60 | F52-L56 PolarHBondContact O-N 3.43Å; G54-L56 VanDerWaalsContact C-N 3.26Å; G54-L56 PolarHBondContact O-N 3.27Å; L56-M58 VanDerWaalsContact C-N 3.35Å; L56-M58 PolarHBondContact O-N 3.04Å; L56-R59 PolarHBondContact O-N 3.15Å; L56-M60 HydrophobicContact CG-SD 4.41Å; L56-M60 VanDerWaalsContact O-CG 3.28Å; L56-M60 WeakPolarHBondContact O-CG 3.32Å; L56-M60 PolarHBondContact O-N 3.2Å |
| 57 | L | 77.3 | Confident | 81.5 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.9 | -46.2 | 175.3 | 176.2 | 62.2 | 0 | 0 | 0 | 110.8 | P53 G54 E55 R59 M60 L61 Y267 F268 L275 | P53-L57 PolarHBondContact O-N 3.39Å; G54-L57 WeakPolarHBondContact O-CB 3.48Å; G54-L57 PolarHBondContact O-N 2.84Å; G54-L57 VanDerWaalsContact O-N 3.09Å; E55-L57 VanDerWaalsContact C-N 3.28Å; E55-L57 PolarHBondContact O-N 3.33Å; L57-R59 VanDerWaalsContact C-N 3.34Å; L57-R59 PolarHBondContact O-N 3.22Å; L57-M60 PolarHBondContact O-N 3.45Å; L57-L61 HydrophobicContact CD1-CG 4.37Å; L57-L61 HydrophobicContact CG-CD1 4.42Å; L57-L61 WeakPolarHBondContact O-CG 3.4Å; L57-L61 PolarHBondContact O-N 2.92Å; L57-Y267 HydrophobicContact CB-CD1 4.12Å; L57-Y267 HydrophobicContact CB-CE1 3.87Å; L57-Y267 HydrophobicContact CD1-CD1 3.98Å; L57-F268 HydrophobicContact CD1-CB 4.44Å; L57-F268 HydrophobicContact CD1-CD2 3.99Å; L57-F268 HydrophobicContact CD2-CD2 3.7Å; L57-F268 HydrophobicContact CD2-CE2 4.1Å; L57-F268 HydrophobicContact CD2-CG 4.44Å; L57-F268 HydrophobicContact CG-CD2 4.36Å; L57-L275 HydrophobicContact CB-CD1 4.49Å; L57-L275 HydrophobicContact CD2-CD1 3.84Å; L57-L275 HydrophobicContact CG-CD1 4.5Å |
| 58 | M | 70 | Confident | 81 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 179.1 | -64.6 | -58 | -70.5 | 0 | 0 | 112.1 | G54 E55 L56 L61 K62 L275 I503 | G54-M58 PolarHBondContact O-N 3.36Å; E55-M58 PolarHBondContact O-N 3.47Å; E55-M58 VanDerWaalsContact O-N 3.1Å; L56-M58 VanDerWaalsContact C-N 3.35Å; L56-M58 PolarHBondContact O-N 3.04Å; M58-L61 PolarHBondContact O-N 3.29Å; M58-K62 WeakPolarHBondContact O-CB 3.2Å; M58-K62 WeakPolarHBondContact O-CG 3.39Å; M58-K62 PolarHBondContact O-N 2.87Å; M58-L275 HydrophobicContact CG-CD1 4.17Å; M58-L275 HydrophobicContact CG-CD2 4.14Å; M58-L275 HydrophobicContact SD-CD1 4.15Å; M58-I503 HydrophobicContact CE-CB 4.41Å; M58-I503 HydrophobicContact CE-CD1 4.25Å |
| 59 | R | 80.8 | Confident | 80.5 | Confident | 155 Ų | 155 | 51.6 Ų | 51.6 | 59% | 0.585 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -63.9 | -44.1 | 174.5 | -70.8 | 177.3 | 177.5 | -124.5 | 4.2 | 112 | E55 L56 L57 L61 K62 M63 | E55-R59 WeakPolarHBondContact O-CG 3.43Å; E55-R59 PolarHBondContact O-N 2.97Å; E55-R59 IonicContact OE1-CZ 3.16Å; E55-R59 IonicContact OE1-NE 2.81Å; E55-R59 PolarHBondContact OE1-NE 3.39Å; E55-R59 IonicContact OE1-NH2 2.68Å; E55-R59 PolarHBondContact OE1-NH2 3.03Å; L56-R59 PolarHBondContact O-N 3.15Å; L57-R59 VanDerWaalsContact C-N 3.34Å; L57-R59 PolarHBondContact O-N 3.22Å; R59-L61 VanDerWaalsContact C-N 3.35Å; R59-L61 PolarHBondContact O-N 3.06Å; R59-K62 PolarHBondContact O-N 3.23Å; R59-M63 WeakPolarHBondContact O-CB 3.44Å; R59-M63 PolarHBondContact O-N 3.09Å |
| 60 | M | 76.4 | Confident | 80.2 | Confident | 53 Ų | 53 | 46 Ų | 46 | 26% | 0.261 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.2 | -47.5 | 175.1 | -71.5 | 173.5 | 72 | 0 | 0 | 110.8 | L56 L57 M63 M64 A264 Y267 | L56-M60 HydrophobicContact CG-SD 4.41Å; L56-M60 VanDerWaalsContact O-CG 3.28Å; L56-M60 WeakPolarHBondContact O-CG 3.32Å; L56-M60 PolarHBondContact O-N 3.2Å; L57-M60 PolarHBondContact O-N 3.45Å; M60-M63 WeakPolarHBondContact O-CB 3.37Å; M60-M63 PolarHBondContact O-N 3.12Å; M60-M64 WeakPolarHBondContact O-CG 3.41Å; M60-M64 PolarHBondContact O-N 3.32Å; M60-A264 HydrophobicContact CE-CB 3.74Å; M60-Y267 HydrophobicContact SD-CD1 3.94Å; M60-Y267 HydrophobicContact SD-CE1 4.37Å; M60-Y267 HydrophobicContact SD-CG 4.44Å |
| 61 | L | 66.9 | Low | 79.9 | Confident | 18 Ų | 18 | 43.8 Ų | 43.8 | 9% | 0.094 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 178.7 | -64.8 | 178.6 | 0 | 0 | 0 | 112.2 | L57 M58 R59 M63 M64 V487 | L57-L61 HydrophobicContact CD1-CG 4.37Å; L57-L61 HydrophobicContact CG-CD1 4.42Å; L57-L61 WeakPolarHBondContact O-CG 3.4Å; L57-L61 PolarHBondContact O-N 2.92Å; M58-L61 PolarHBondContact O-N 3.29Å; R59-L61 VanDerWaalsContact C-N 3.35Å; R59-L61 PolarHBondContact O-N 3.06Å; L61-M63 VanDerWaalsContact C-N 3.33Å; L61-M63 PolarHBondContact O-N 3.11Å; L61-M64 PolarHBondContact O-N 3.33Å; L61-V487 HydrophobicContact CD2-CG2 4.14Å |
| 62 | K | 69.9 | Low | 79.5 | Confident | 85 Ų | 85 | 42.7 Ų | 42.7 | 37% | 0.37 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.3 | -40.8 | 177.8 | -77.1 | 174.8 | 179.2 | 178.8 | 0 | 112.6 | M58 R59 M64 I65 V490 T500 | M58-K62 WeakPolarHBondContact O-CB 3.2Å; M58-K62 WeakPolarHBondContact O-CG 3.39Å; M58-K62 PolarHBondContact O-N 2.87Å; R59-K62 PolarHBondContact O-N 3.23Å; K62-M64 PolarHBondContact O-N 2.81Å; K62-I65 PolarHBondContact O-N 3.47Å; K62-V490 HydrophobicContact CG-CG1 4.14Å; K62-T500 WeakPolarHBondContact CE-OG1 3.3Å; K62-T500 PolarHBondContact NZ-OG1 2.81Å |
| 63 | M | 82.1 | Confident | 78.9 | Confident | 126 Ų | 126 | 37.3 Ų | 37.3 | 62% | 0.621 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -59.5 | -32.7 | 178.2 | -177 | -172 | 73 | 0 | 0 | 112.6 | R59 M60 L61 I65 | R59-M63 WeakPolarHBondContact O-CB 3.44Å; R59-M63 PolarHBondContact O-N 3.09Å; M60-M63 WeakPolarHBondContact O-CB 3.37Å; M60-M63 PolarHBondContact O-N 3.12Å; L61-M63 VanDerWaalsContact C-N 3.33Å; L61-M63 PolarHBondContact O-N 3.11Å; M63-I65 VanDerWaalsContact C-N 3.34Å |
| 64 | M | 75.5 | Confident | 78.7 | Confident | 9 Ų | 9 | 36.9 Ų | 36.9 | 4% | 0.044 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -78.4 | -18.9 | -176.1 | -48.9 | -150.9 | 67.1 | 0 | 0 | 113.3 | M60 L61 K62 P67 L68 V257 I260 V261 A264 | M60-M64 WeakPolarHBondContact O-CG 3.41Å; M60-M64 PolarHBondContact O-N 3.32Å; L61-M64 PolarHBondContact O-N 3.33Å; K62-M64 PolarHBondContact O-N 2.81Å; M64-P67 WeakPolarHBondContact O-CD 3.2Å; M64-P67 WeakPolarHBondContact O-CG 3.44Å; M64-L68 WeakPolarHBondContact O-CB 3.32Å; M64-L68 PolarHBondContact O-N 3.2Å; M64-V257 HydrophobicContact CE-CG1 3.75Å; M64-V257 WeakPolarHBondContact CE-O 3.18Å; M64-I260 HydrophobicContact CE-CB 3.63Å; M64-I260 HydrophobicContact CE-CG2 3.52Å; M64-I260 HydrophobicContact SD-CG2 4.31Å; M64-V261 HydrophobicContact CE-CB 4.04Å; M64-V261 HydrophobicContact CE-CG2 3.24Å; M64-V261 VanDerWaalsContact CE-N 3.34Å; M64-V261 HydrophobicContact SD-CB 4.12Å; M64-V261 HydrophobicContact SD-CG2 3.56Å; M64-V261 VanDerWaalsContact SD-CG2 3.56Å; M64-A264 HydrophobicContact SD-CB 4.28Å |
| 65 | I | 73.3 | Confident | 78.7 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.7 | -54.1 | -170.2 | -63.5 | 173.7 | 0 | 0 | 0 | 111.2 | K62 M63 L68 V69 M220 V487 V490 I491 | K62-I65 PolarHBondContact O-N 3.47Å; M63-I65 VanDerWaalsContact C-N 3.34Å; I65-L68 PolarHBondContact O-N 3.48Å; I65-V69 HydrophobicContact CG2-CG2 3.95Å; I65-V69 WeakPolarHBondContact O-CB 3.46Å; I65-V69 VanDerWaalsContact O-CG2 3.24Å; I65-V69 WeakPolarHBondContact O-CG2 3.43Å; I65-V69 PolarHBondContact O-N 3.42Å; I65-M220 HydrophobicContact CB-CE 3.9Å; I65-M220 HydrophobicContact CG2-CE 3.36Å; I65-V487 HydrophobicContact CG1-CG1 3.91Å; I65-V490 HydrophobicContact CD1-CB 3.69Å; I65-V490 HydrophobicContact CD1-CG1 3.36Å; I65-I491 HydrophobicContact CG2-CD1 3.92Å; I65-I491 HydrophobicContact CG2-CG1 3.54Å |
| 66 | L | 83.3 | Confident | 78.5 | Confident | 57 Ų | 57 | 35.1 Ų | 35.1 | 30% | 0.298 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -56.7 | -57.8 | -175.2 | 177.4 | 65.6 | 0 | 0 | 0 | 113.2 | L68 V70 T155 M220 I225 | L66-L68 PolarHBondContact O-N 2.98Å; L66-V70 HydrophobicContact CD1-CG2 4.21Å; L66-V70 WeakPolarHBondContact O-CG2 3.43Å; L66-V70 PolarHBondContact O-N 2.88Å; L66-T155 HydrophobicContact CD1-CG2 3.87Å; L66-T155 HydrophobicContact CD2-CG2 3.75Å; L66-T155 HydrophobicContact CG-CG2 4.48Å; L66-M220 HydrophobicContact CB-SD 4.01Å; L66-M220 HydrophobicContact CD1-SD 4.19Å; L66-I225 HydrophobicContact CD1-CD1 3.65Å; L66-I225 HydrophobicContact CD1-CG1 4.5Å; L66-I225 HydrophobicContact CD1-CG2 4.16Å |
| 67 | P | 84.6 | Confident | 78.1 | Confident | 42 Ų | 42 | 32.7 Ų | 32.7 | 27% | 0.273 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.2 | -30.7 | -177 | 27.5 | -36.4 | 0 | 0 | 0 | 112.2 | M64 S71 V257 | M64-P67 WeakPolarHBondContact O-CD 3.2Å; M64-P67 WeakPolarHBondContact O-CG 3.44Å; P67-S71 VanDerWaalsContact O-CB 3.23Å; P67-S71 WeakPolarHBondContact O-CB 3.29Å; P67-S71 PolarHBondContact O-N 3.42Å; P67-S71 VanDerWaalsContact O-N 3.14Å; P67-S71 PolarHBondContact O-OG 3.13Å; P67-V257 HydrophobicContact CB-CG2 3.91Å; P67-V257 HydrophobicContact CG-CG1 4.47Å; P67-V257 HydrophobicContact CG-CG2 4.22Å |
| 68 | L | 77.2 | Confident | 78.2 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -72.5 | -48.2 | 179.8 | -172 | 59.7 | 0 | 0 | 0 | 112 | M64 I65 L66 V70 S71 S72 N254 V257 M258 I481 V487 | M64-L68 WeakPolarHBondContact O-CB 3.32Å; M64-L68 PolarHBondContact O-N 3.2Å; I65-L68 PolarHBondContact O-N 3.48Å; L66-L68 PolarHBondContact O-N 2.98Å; L68-V70 PolarHBondContact O-N 2.76Å; L68-S71 PolarHBondContact O-OG 2.77Å; L68-S72 WeakPolarHBondContact O-CB 3.4Å; L68-S72 PolarHBondContact O-N 3.16Å; L68-S72 PolarHBondContact O-OG 2.96Å; L68-N254 WeakPolarHBondContact CD1-OD1 3.41Å; L68-V257 HydrophobicContact CB-CG1 4.1Å; L68-V257 HydrophobicContact CD1-CG1 4.1Å; L68-M258 HydrophobicContact CD1-SD 4.01Å; L68-I481 HydrophobicContact CD1-CD1 4.33Å; L68-I481 HydrophobicContact CD1-CG1 4.21Å; L68-I481 HydrophobicContact CD2-CD1 3.21Å; L68-I481 HydrophobicContact CD2-CG1 3.7Å; L68-I481 HydrophobicContact CG-CD1 3.84Å; L68-I481 HydrophobicContact CG-CG1 4.27Å; L68-V487 HydrophobicContact CD2-CG1 4.44Å |
| 69 | V | 76.3 | Confident | 78.2 | Confident | 8 Ų | 8 | 36.3 Ų | 36.3 | 5% | 0.048 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.4 | -48 | 179.2 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | I65 S72 L73 I225 V226 I491 | I65-V69 HydrophobicContact CG2-CG2 3.95Å; I65-V69 WeakPolarHBondContact O-CB 3.46Å; I65-V69 VanDerWaalsContact O-CG2 3.24Å; I65-V69 WeakPolarHBondContact O-CG2 3.43Å; I65-V69 PolarHBondContact O-N 3.42Å; V69-S72 PolarHBondContact O-OG 2.69Å; V69-L73 HydrophobicContact CG1-CD1 3.75Å; V69-L73 VanDerWaalsContact O-CB 3.26Å; V69-L73 WeakPolarHBondContact O-CB 3.25Å; V69-L73 VanDerWaalsContact O-CG 3.31Å; V69-L73 WeakPolarHBondContact O-CG 3.48Å; V69-L73 PolarHBondContact O-N 3.45Å; V69-L73 VanDerWaalsContact O-N 3.08Å; V69-I225 HydrophobicContact CG1-CG2 4.26Å; V69-V226 HydrophobicContact CG1-CG2 3.56Å; V69-I491 HydrophobicContact CG2-CD1 3.43Å; V69-I491 VanDerWaalsContact CG2-CD1 3.43Å; V69-I491 HydrophobicContact CG2-CG1 4.43Å |
| 70 | V | 85.9 | Confident | 77.6 | Confident | 40 Ų | 40 | 30.7 Ų | 30.7 | 24% | 0.242 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.2 | -52.4 | -178.8 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | L66 L68 M74 I225 | L66-V70 HydrophobicContact CD1-CG2 4.21Å; L66-V70 WeakPolarHBondContact O-CG2 3.43Å; L66-V70 PolarHBondContact O-N 2.88Å; L68-V70 PolarHBondContact O-N 2.76Å; V70-M74 HydrophobicContact CG1-SD 3.62Å; V70-M74 VanDerWaalsContact O-CB 3.23Å; V70-M74 WeakPolarHBondContact O-CB 3.06Å; V70-M74 WeakPolarHBondContact O-CG 3.34Å; V70-M74 PolarHBondContact O-N 3.03Å; V70-M74 VanDerWaalsContact O-N 3.08Å; V70-I225 HydrophobicContact CG2-CG2 3.54Å |
| 71 | S | 84.7 | Confident | 76.7 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69.6 | -40.7 | -175.6 | 62.7 | 0 | 0 | 0 | 0 | 113.5 | P67 L68 S75 C250 N254 | P67-S71 VanDerWaalsContact O-CB 3.23Å; P67-S71 WeakPolarHBondContact O-CB 3.29Å; P67-S71 PolarHBondContact O-N 3.42Å; P67-S71 VanDerWaalsContact O-N 3.14Å; P67-S71 PolarHBondContact O-OG 3.13Å; L68-S71 PolarHBondContact O-OG 2.77Å; S71-S75 VanDerWaalsContact O-CB 3.32Å; S71-S75 WeakPolarHBondContact O-CB 3.46Å; S71-S75 PolarHBondContact O-N 3.22Å; S71-S75 PolarHBondContact O-OG 3.39Å; S71-C250 WeakPolarHBondContact CB-O 3.22Å; S71-N254 WeakPolarHBondContact OG-CA 3.35Å |
| 72 | S | 78.7 | Confident | 76.1 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 6% | 0.056 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.2 | -43.7 | -179.6 | 65.1 | 0 | 0 | 0 | 0 | 112.5 | L68 V69 S75 G76 | L68-S72 WeakPolarHBondContact O-CB 3.4Å; L68-S72 PolarHBondContact O-N 3.16Å; L68-S72 PolarHBondContact O-OG 2.96Å; V69-S72 PolarHBondContact O-OG 2.69Å; S72-S75 PolarHBondContact O-OG 2.9Å; S72-G76 WeakPolarHBondContact O-CA 3.31Å; S72-G76 PolarHBondContact O-N 2.97Å |
| 73 | L | 78.6 | Confident | 75.1 | Confident | 5 Ų | 5 | 36.8 Ų | 36.8 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.1 | -43.1 | 178.5 | -69.8 | 177.2 | 0 | 0 | 0 | 111.6 | V69 L77 V226 I476 | V69-L73 HydrophobicContact CG1-CD1 3.75Å; V69-L73 VanDerWaalsContact O-CB 3.26Å; V69-L73 WeakPolarHBondContact O-CB 3.25Å; V69-L73 VanDerWaalsContact O-CG 3.31Å; V69-L73 WeakPolarHBondContact O-CG 3.48Å; V69-L73 PolarHBondContact O-N 3.45Å; V69-L73 VanDerWaalsContact O-N 3.08Å; L73-L77 WeakPolarHBondContact O-CB 3.46Å; L73-L77 WeakPolarHBondContact O-CG 3.46Å; L73-L77 PolarHBondContact O-N 3.37Å; L73-V226 HydrophobicContact CD1-CB 4.1Å; L73-V226 HydrophobicContact CD1-CG1 3.82Å; L73-V226 HydrophobicContact CD1-CG2 3.97Å; L73-I476 HydrophobicContact CD2-CB 4.02Å; L73-I476 HydrophobicContact CD2-CG2 3.84Å |
| 74 | M | 86 | Confident | 73.4 | Confident | 15 Ų | 15 | 35.9 Ų | 35.9 | 7% | 0.074 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62 | -50.4 | 178.4 | -73.6 | 178.4 | 65 | 0 | 0 | 111.3 | V70 A78 S229 M232 G233 L236 L246 C250 | V70-M74 HydrophobicContact CG1-SD 3.62Å; V70-M74 VanDerWaalsContact O-CB 3.23Å; V70-M74 WeakPolarHBondContact O-CB 3.06Å; V70-M74 WeakPolarHBondContact O-CG 3.34Å; V70-M74 PolarHBondContact O-N 3.03Å; V70-M74 VanDerWaalsContact O-N 3.08Å; M74-A78 WeakPolarHBondContact O-CB 3.36Å; M74-A78 PolarHBondContact O-N 3.18Å; M74-S229 WeakPolarHBondContact CG-O 3.37Å; M74-M232 HydrophobicContact CE-CB 4.35Å; M74-M232 HydrophobicContact CE-CG 3.62Å; M74-M232 HydrophobicContact SD-CG 4.46Å; M74-G233 WeakPolarHBondContact O-CA 3.3Å; M74-L236 HydrophobicContact CE-CD1 3.66Å; M74-L246 HydrophobicContact CE-CD2 4.36Å; M74-C250 HydrophobicContact CB-CB 4.43Å |
| 75 | S | 80.6 | Confident | 72.2 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 7% | 0.07 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.6 | -39.6 | 180 | 60 | 0 | 0 | 0 | 0 | 112.9 | S71 S72 A78 S79 | S71-S75 VanDerWaalsContact O-CB 3.32Å; S71-S75 WeakPolarHBondContact O-CB 3.46Å; S71-S75 PolarHBondContact O-N 3.22Å; S71-S75 PolarHBondContact O-OG 3.39Å; S72-S75 PolarHBondContact O-OG 2.9Å; S75-A78 PolarHBondContact O-N 2.89Å; S75-S79 WeakPolarHBondContact O-CB 3.33Å; S75-S79 PolarHBondContact O-N 3.17Å |
| 76 | G | 74.6 | Confident | 71.8 | Confident | 23 Ų | 23 | 40.1 Ų | 40.1 | 24% | 0.237 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.4 | -48.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S72 S79 | S72-G76 WeakPolarHBondContact O-CA 3.31Å; S72-G76 PolarHBondContact O-N 2.97Å; G76-S79 PolarHBondContact O-OG 2.9Å |
| 77 | L | 77.6 | Confident | 71.5 | Confident | 18 Ų | 18 | 44.9 Ų | 44.9 | 9% | 0.094 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -78.6 | -27.4 | -180 | -67.1 | 167.5 | 0 | 0 | 0 | 113.4 | L73 L80 A230 I234 | L73-L77 WeakPolarHBondContact O-CB 3.46Å; L73-L77 WeakPolarHBondContact O-CG 3.46Å; L73-L77 PolarHBondContact O-N 3.37Å; L77-L80 HydrophobicContact CD2-CD1 3.83Å; L77-L80 WeakPolarHBondContact O-CB 3.4Å; L77-L80 PolarHBondContact O-N 3.19Å; L77-A230 VanDerWaalsContact CD1-CA 3.44Å; L77-A230 HydrophobicContact CD1-CB 3.53Å; L77-I234 HydrophobicContact CB-CG1 4.16Å; L77-I234 HydrophobicContact CD1-CG1 4.49Å |
| 78 | A | 79.1 | Confident | 71.4 | Confident | 10 Ų | 10 | 43.3 Ų | 43.3 | 8% | 0.083 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -74.2 | -27.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | M74 S75 L80 G233 L236 G237 V247 | M74-A78 WeakPolarHBondContact O-CB 3.36Å; M74-A78 PolarHBondContact O-N 3.18Å; S75-A78 PolarHBondContact O-N 2.89Å; A78-L80 PolarHBondContact O-N 3.29Å; A78-G233 WeakPolarHBondContact CA-O 3.25Å; A78-G233 VanDerWaalsContact CB-O 3.26Å; A78-G233 WeakPolarHBondContact CB-O 3.48Å; A78-G233 PolarHBondContact N-O 3.11Å; A78-L236 HydrophobicContact CB-CB 4.07Å; A78-G237 WeakPolarHBondContact O-CA 3.38Å; A78-V247 HydrophobicContact CB-CB 4.37Å; A78-V247 HydrophobicContact CB-CG1 4.03Å; A78-V247 HydrophobicContact CB-CG2 3.39Å |
| 79 | S | 70.3 | Confident | 71.5 | Confident | 75 Ų | 75 | 43.3 Ų | 43.3 | 52% | 0.524 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -11.5 | 173.8 | 74.6 | 0 | 0 | 0 | 0 | 113.5 | S75 G76 D81 | S75-S79 WeakPolarHBondContact O-CB 3.33Å; S75-S79 PolarHBondContact O-N 3.17Å; G76-S79 PolarHBondContact O-OG 2.9Å; S79-D81 VanDerWaalsContact C-N 3.31Å; S79-D81 PolarHBondContact O-N 2.94Å |
| 80 | L | 67.3 | Low | 71.8 | Confident | 37 Ų | 37 | 47.9 Ų | 47.9 | 19% | 0.194 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -75.2 | 87.8 | 170.7 | -57.7 | 173.2 | 0 | 0 | 0 | 108.5 | L77 A78 A82 V93 V431 I435 | L77-L80 HydrophobicContact CD2-CD1 3.83Å; L77-L80 WeakPolarHBondContact O-CB 3.4Å; L77-L80 PolarHBondContact O-N 3.19Å; A78-L80 PolarHBondContact O-N 3.29Å; L80-A82 PolarHBondContact O-N 3.17Å; L80-V93 HydrophobicContact CD1-CG1 4.5Å; L80-V93 HydrophobicContact CD1-CG2 3.87Å; L80-V93 HydrophobicContact CD2-CG2 3.87Å; L80-V431 HydrophobicContact CD2-CG1 4.11Å; L80-I435 HydrophobicContact CD1-CD1 4.11Å; L80-I435 HydrophobicContact CD2-CD1 4.06Å |
| 81 | D | 58.7 | Low | 71.8 | Confident | 79 Ų | 79 | 48.5 Ų | 48.5 | 42% | 0.422 | 28% | 0.276 | S | S | . | . | trans | -57.1 | 99.7 | -174 | -169 | -16.5 | 0 | 0 | 0 | 112.5 | S79 K83 T84 S85 | S79-D81 VanDerWaalsContact C-N 3.31Å; S79-D81 PolarHBondContact O-N 2.94Å; D81-K83 PolarHBondContact O-N 3.35Å; D81-K83 PolarHBondContact OD1-N 3.03Å; D81-K83 VanDerWaalsContact OD1-N 3.14Å; D81-T84 PolarHBondContact OD1-N 3.34Å; D81-T84 WeakPolarHBondContact OD2-CB 3.06Å; D81-T84 PolarHBondContact OD2-OG1 3.5Å; D81-T84 VanDerWaalsContact OD2-OG1 3.13Å; D81-S85 WeakPolarHBondContact O-CA 3.48Å; D81-S85 WeakPolarHBondContact O-CB 3.23Å; D81-S85 PolarHBondContact O-N 3.33Å | ||
| 82 | A | 53.1 | Low | 71.9 | Confident | 47 Ų | 47 | 48.5 Ų | 48.5 | 39% | 0.388 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -14.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L80 R238 | L80-A82 PolarHBondContact O-N 3.17Å; A82-R238 HydrophobicContact CB-CG 3.74Å |
| 83 | K | 50.7 | Low | 72.2 | Confident | 158 Ų | 158 | 49.4 Ų | 49.4 | 69% | 0.687 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -24.7 | -176.5 | -76.2 | -178.2 | 178.2 | 178.8 | 0 | 113 | D81 | D81-K83 PolarHBondContact O-N 3.35Å; D81-K83 PolarHBondContact OD1-N 3.03Å; D81-K83 VanDerWaalsContact OD1-N 3.14Å |
| 84 | T | 44.7 | Very low | 72.6 | Confident | 108 Ų | 108 | 51.8 Ų | 51.8 | 66% | 0.663 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.3 | -5.2 | 177.1 | -30 | 0 | 0 | 0 | 0 | 113.6 | D81 S86 | D81-T84 PolarHBondContact OD1-N 3.34Å; D81-T84 WeakPolarHBondContact OD2-CB 3.06Å; D81-T84 PolarHBondContact OD2-OG1 3.5Å; D81-T84 VanDerWaalsContact OD2-OG1 3.13Å; T84-S86 PolarHBondContact O-N 2.68Å |
| 85 | S | 51.4 | Low | 73 | Confident | 34 Ų | 34 | 51.9 Ų | 51.9 | 24% | 0.238 | 30% | 0.301 | C | S | . | . | trans | -69.6 | 85.1 | 169.5 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | D81 G89 | D81-S85 WeakPolarHBondContact O-CA 3.48Å; D81-S85 WeakPolarHBondContact O-CB 3.23Å; D81-S85 PolarHBondContact O-N 3.33Å; S85-G89 VanDerWaalsContact OG-CA 3.3Å; S85-G89 WeakPolarHBondContact OG-CA 3.22Å | ||
| 86 | S | 64.9 | Low | 73.4 | Confident | 65 Ų | 65 | 51.5 Ų | 51.5 | 46% | 0.455 | 30% | 0.298 | S | S | . | . | trans | -26.9 | 147.5 | 146 | 59.4 | 0 | 0 | 0 | 0 | 112.2 | T84 L88 G89 | T84-S86 PolarHBondContact O-N 2.68Å; S86-L88 CarbonylContact O-C 2.98Å; S86-L88 PolarHBondContact O-N 2.98Å; S86-L88 WeakPolarHBondContact OG-CB 3.28Å; S86-G89 PolarHBondContact O-N 2.77Å | ||
| 87 | R | 77.6 | Confident | 74.1 | Confident | 158 Ų | 158 | 54 Ų | 54 | 60% | 0.596 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -33.5 | -31.4 | 167.5 | -176.3 | -179.1 | 175.7 | -167.2 | 5.5 | 114.8 | L91 D539 | R87-L91 VanDerWaalsContact O-CB 3.25Å; R87-L91 WeakPolarHBondContact O-CB 3.43Å; R87-L91 PolarHBondContact O-N 3.37Å; R87-D539 IonicContact CZ-OD2 2.87Å; R87-D539 IonicContact NH1-OD1 2.62Å; R87-D539 PolarHBondContact NH1-OD1 3.2Å; R87-D539 IonicContact NH1-OD2 3.51Å; R87-D539 PolarHBondContact NH1-OD2 2.99Å |
| 88 | L | 82.2 | Confident | 74.8 | Confident | 9 Ų | 9 | 59.9 Ų | 59.9 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -53.2 | -47.4 | 171.9 | 179.9 | 68.1 | 0 | 0 | 0 | 113.7 | S86 T92 I424 F427 V428 M532 C536 F540 | S86-L88 CarbonylContact O-C 2.98Å; S86-L88 PolarHBondContact O-N 2.98Å; S86-L88 WeakPolarHBondContact OG-CB 3.28Å; L88-T92 WeakPolarHBondContact O-CB 3.47Å; L88-T92 PolarHBondContact O-N 3.31Å; L88-T92 PolarHBondContact O-OG1 3.02Å; L88-I424 HydrophobicContact CD1-CG2 4.4Å; L88-F427 HydrophobicContact CD2-CB 4.35Å; L88-F427 HydrophobicContact CD2-CD1 3.87Å; L88-F427 HydrophobicContact CD2-CG 4.18Å; L88-F427 HydrophobicContact CG-CD1 4.15Å; L88-F427 HydrophobicContact CG-CE1 4.43Å; L88-V428 HydrophobicContact CD1-CG2 4.48Å; L88-M532 HydrophobicContact CD1-CB 3.68Å; L88-M532 HydrophobicContact CD1-CG 4.12Å; L88-M532 HydrophobicContact CD1-SD 4.39Å; L88-C536 HydrophobicContact CD1-CB 4.36Å; L88-F540 HydrophobicContact CD2-CZ 4.16Å |
| 89 | G | 79.6 | Confident | 75.6 | Confident | 3 Ų | 3 | 59.5 Ų | 59.5 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -73.5 | -43.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S85 S86 L91 T92 V93 | S85-G89 VanDerWaalsContact OG-CA 3.3Å; S85-G89 WeakPolarHBondContact OG-CA 3.22Å; S86-G89 PolarHBondContact O-N 2.77Å; G89-L91 VanDerWaalsContact C-N 3.3Å; G89-L91 PolarHBondContact O-N 3.14Å; G89-T92 PolarHBondContact O-N 3.45Å; G89-V93 WeakPolarHBondContact O-CG2 3.35Å; G89-V93 PolarHBondContact O-N 2.99Å |
| 90 | V | 80.6 | Confident | 76.7 | Confident | 103 Ų | 103 | 56.1 Ų | 56.1 | 62% | 0.624 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -59.1 | -44.5 | 173.7 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | T92 A94 | V90-T92 VanDerWaalsContact C-N 3.35Å; V90-T92 PolarHBondContact O-N 3.19Å; V90-A94 VanDerWaalsContact O-CB 3.27Å; V90-A94 WeakPolarHBondContact O-CB 3.13Å; V90-A94 PolarHBondContact O-N 2.89Å |
| 91 | L | 86.8 | Confident | 77.9 | Confident | 54 Ų | 54 | 58 Ų | 58 | 28% | 0.283 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.3 | -40 | 178.1 | -174.1 | 68.2 | 0 | 0 | 0 | 112 | R87 G89 Y95 M532 I535 | R87-L91 VanDerWaalsContact O-CB 3.25Å; R87-L91 WeakPolarHBondContact O-CB 3.43Å; R87-L91 PolarHBondContact O-N 3.37Å; G89-L91 VanDerWaalsContact C-N 3.3Å; G89-L91 PolarHBondContact O-N 3.14Å; L91-Y95 VanDerWaalsContact O-CB 3.31Å; L91-Y95 WeakPolarHBondContact O-CB 3.47Å; L91-Y95 PolarHBondContact O-N 3.32Å; L91-M532 HydrophobicContact CB-SD 4.05Å; L91-M532 HydrophobicContact CD2-CE 4.39Å; L91-M532 HydrophobicContact CD2-SD 3.56Å; L91-M532 VanDerWaalsContact CD2-SD 3.56Å; L91-M532 HydrophobicContact CG-CE 3.93Å; L91-M532 HydrophobicContact CG-SD 3.61Å; L91-M532 WeakPolarHBondContact O-CE 3.21Å; L91-I535 HydrophobicContact CD2-CB 3.87Å; L91-I535 HydrophobicContact CD2-CD1 3.77Å; L91-I535 HydrophobicContact CD2-CG1 4.44Å; L91-I535 HydrophobicContact CD2-CG2 3.44Å; L91-I535 VanDerWaalsContact CD2-CG2 3.44Å; L91-I535 HydrophobicContact CG-CD1 4.47Å |
| 92 | T | 87.2 | Confident | 79.7 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.1 | -49.3 | 177.8 | -59.9 | 0 | 0 | 0 | 0 | 111.6 | L88 G89 V90 Y95 Y96 V428 M532 | L88-T92 WeakPolarHBondContact O-CB 3.47Å; L88-T92 PolarHBondContact O-N 3.31Å; L88-T92 PolarHBondContact O-OG1 3.02Å; G89-T92 PolarHBondContact O-N 3.45Å; V90-T92 VanDerWaalsContact C-N 3.35Å; V90-T92 PolarHBondContact O-N 3.19Å; T92-Y95 PolarHBondContact O-N 2.96Å; T92-Y96 HydrophobicContact CG2-CD2 3.87Å; T92-Y96 HydrophobicContact CG2-CE2 3.33Å; T92-Y96 WeakPolarHBondContact O-CD2 3.21Å; T92-Y96 PolarHBondContact O-N 3Å; T92-V428 HydrophobicContact CG2-CG1 4.06Å; T92-V428 HydrophobicContact CG2-CG2 4.27Å; T92-M532 PolarHBondContact OG1-SD 2.87Å |
| 93 | V | 84.8 | Confident | 81.7 | Confident | 27 Ų | 27 | 54.5 Ų | 54.5 | 16% | 0.164 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 178.9 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | L80 G89 Y95 Y96 L97 I435 | L80-V93 HydrophobicContact CD1-CG1 4.5Å; L80-V93 HydrophobicContact CD1-CG2 3.87Å; L80-V93 HydrophobicContact CD2-CG2 3.87Å; G89-V93 WeakPolarHBondContact O-CG2 3.35Å; G89-V93 PolarHBondContact O-N 2.99Å; V93-Y95 VanDerWaalsContact C-N 3.31Å; V93-Y95 PolarHBondContact O-N 3.09Å; V93-Y96 PolarHBondContact O-N 2.83Å; V93-L97 HydrophobicContact CG1-CD1 4.11Å; V93-L97 HydrophobicContact CG1-CG 4.39Å; V93-L97 WeakPolarHBondContact O-CG 3.48Å; V93-L97 PolarHBondContact O-N 3Å; V93-I435 HydrophobicContact CG2-CD1 4.43Å |
| 94 | A | 87.9 | Confident | 83.9 | Confident | 54 Ų | 54 | 47 Ų | 47 | 45% | 0.446 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.9 | -40.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | V90 W98 | V90-A94 VanDerWaalsContact O-CB 3.27Å; V90-A94 WeakPolarHBondContact O-CB 3.13Å; V90-A94 PolarHBondContact O-N 2.89Å; A94-W98 WeakPolarHBondContact O-CB 3.5Å; A94-W98 PolarHBondContact O-N 2.85Å; A94-W98 VanDerWaalsContact O-N 3.08Å |
| 95 | Y | 92.5 | Very high | 86.3 | Confident | 18 Ų | 18 | 45.2 Ų | 45.2 | 7% | 0.071 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.1 | -48.3 | 174.4 | 174.4 | -89.3 | 0 | 0 | 0 | 111.5 | L91 T92 V93 W98 T99 L315 A528 I531 M532 | L91-Y95 VanDerWaalsContact O-CB 3.31Å; L91-Y95 WeakPolarHBondContact O-CB 3.47Å; L91-Y95 PolarHBondContact O-N 3.32Å; T92-Y95 PolarHBondContact O-N 2.96Å; V93-Y95 VanDerWaalsContact C-N 3.31Å; V93-Y95 PolarHBondContact O-N 3.09Å; Y95-W98 PolarHBondContact O-N 3.35Å; Y95-T99 HydrophobicContact CD1-CG2 4.17Å; Y95-T99 HydrophobicContact CD2-CG2 4.33Å; Y95-T99 HydrophobicContact CE1-CG2 3.64Å; Y95-T99 HydrophobicContact CE2-CG2 3.85Å; Y95-T99 HydrophobicContact CG-CG2 4.48Å; Y95-T99 VanDerWaalsContact CZ-CG2 3.48Å; Y95-T99 WeakPolarHBondContact O-CG2 3.36Å; Y95-T99 PolarHBondContact O-N 3.05Å; Y95-T99 PolarHBondContact O-OG1 3.09Å; Y95-L315 HydrophobicContact CD2-CD2 4.36Å; Y95-L315 HydrophobicContact CE2-CD2 3.49Å; Y95-L315 VanDerWaalsContact CE2-CD2 3.49Å; Y95-L315 HydrophobicContact CE2-CG 4.18Å; Y95-A528 HydrophobicContact CD1-CB 3.76Å; Y95-A528 HydrophobicContact CE1-CB 3.5Å; Y95-A528 VanDerWaalsContact CE1-CB 3.5Å; Y95-I531 HydrophobicContact CD2-CD1 4.39Å; Y95-I531 HydrophobicContact CE2-CD1 3.42Å; Y95-I531 VanDerWaalsContact CE2-CD1 3.42Å; Y95-I531 WeakPolarHBondContact OH-CD1 3.34Å; Y95-M532 HydrophobicContact CD1-CE 4.45Å; Y95-M532 HydrophobicContact CD2-CE 4.46Å; Y95-M532 HydrophobicContact CG-CE 3.91Å |
| 96 | Y | 90.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.5 | -46.2 | 179.9 | -66.8 | -33.9 | 0 | 0 | 0 | 113 | T92 V93 W98 T99 T100 V428 V431 G432 I435 N436 A528 | T92-Y96 HydrophobicContact CG2-CD2 3.87Å; T92-Y96 HydrophobicContact CG2-CE2 3.33Å; T92-Y96 WeakPolarHBondContact O-CD2 3.21Å; T92-Y96 PolarHBondContact O-N 3Å; V93-Y96 PolarHBondContact O-N 2.83Å; Y96-W98 PolarHBondContact O-N 3.43Å; Y96-T99 PolarHBondContact O-N 3.31Å; Y96-T99 PolarHBondContact O-OG1 2.92Å; Y96-T99 VanDerWaalsContact O-OG1 3.11Å; Y96-T100 WeakPolarHBondContact O-CB 3.37Å; Y96-T100 PolarHBondContact O-N 3.28Å; Y96-T100 PolarHBondContact O-OG1 3.47Å; Y96-V428 WeakPolarHBondContact OH-CG1 3.29Å; Y96-V428 PolarHBondContact OH-O 3.01Å; Y96-V431 HydrophobicContact CE2-CG1 4.21Å; Y96-G432 VanDerWaalsContact CE2-CA 3.45Å; Y96-G432 VanDerWaalsContact CZ-CA 3.5Å; Y96-G432 WeakPolarHBondContact OH-CA 3.41Å; Y96-I435 HydrophobicContact CD2-CB 4.47Å; Y96-I435 HydrophobicContact CD2-CG2 4.48Å; Y96-N436 HydrophobicContact CD1-CB 3.4Å; Y96-N436 HydrophobicContact CD2-CB 4.01Å; Y96-N436 HydrophobicContact CE1-CB 3.62Å; Y96-N436 WeakPolarHBondContact CE1-ND2 3.23Å; Y96-N436 HydrophobicContact CE2-CB 4.21Å; Y96-N436 HydrophobicContact CG-CB 3.61Å; Y96-A528 HydrophobicContact CD1-CB 4.26Å; Y96-A528 HydrophobicContact CE1-CB 3.33Å |
| 97 | L | 89.1 | Confident | 90 | Very high | 77 Ų | 77 | 41.4 Ų | 41.4 | 40% | 0.403 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.4 | -39.1 | 176.1 | -68.5 | 176.7 | 0 | 0 | 0 | 111.6 | V93 F101 I476 | V93-L97 HydrophobicContact CG1-CD1 4.11Å; V93-L97 HydrophobicContact CG1-CG 4.39Å; V93-L97 WeakPolarHBondContact O-CG 3.48Å; V93-L97 PolarHBondContact O-N 3Å; L97-F101 VanDerWaalsContact O-CB 3.29Å; L97-F101 WeakPolarHBondContact O-CB 3.23Å; L97-F101 PolarHBondContact O-N 3.37Å; L97-I476 HydrophobicContact CD2-CD1 3.75Å |
| 98 | W | 92.6 | Very high | 90.8 | Very high | 141 Ų | 141 | 34.9 Ų | 34.9 | 53% | 0.534 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67.8 | -46.4 | 177.1 | -178.7 | -101.9 | 0 | 0 | 0 | 112.9 | A94 Y95 Y96 F101 M102 | A94-W98 WeakPolarHBondContact O-CB 3.5Å; A94-W98 PolarHBondContact O-N 2.85Å; A94-W98 VanDerWaalsContact O-N 3.08Å; Y95-W98 PolarHBondContact O-N 3.35Å; Y96-W98 PolarHBondContact O-N 3.43Å; W98-F101 PolarHBondContact O-N 3.23Å; W98-M102 HydrophobicContact CD2-CG 4.48Å; W98-M102 HydrophobicContact CH2-CE 4.11Å; W98-M102 HydrophobicContact CZ2-CE 4.11Å; W98-M102 HydrophobicContact CZ2-CG 4.28Å; W98-M102 HydrophobicContact CZ2-SD 4.06Å; W98-M102 VanDerWaalsContact O-CG 3.32Å; W98-M102 WeakPolarHBondContact O-CG 3.41Å; W98-M102 PolarHBondContact O-N 2.81Å |
| 99 | T | 94.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.5 | -38.8 | -179.8 | 53.3 | 0 | 0 | 0 | 0 | 112.2 | Y95 Y96 M102 A103 H307 L312 L315 N436 D438 | Y95-T99 HydrophobicContact CD1-CG2 4.17Å; Y95-T99 HydrophobicContact CD2-CG2 4.33Å; Y95-T99 HydrophobicContact CE1-CG2 3.64Å; Y95-T99 HydrophobicContact CE2-CG2 3.85Å; Y95-T99 HydrophobicContact CG-CG2 4.48Å; Y95-T99 VanDerWaalsContact CZ-CG2 3.48Å; Y95-T99 WeakPolarHBondContact O-CG2 3.36Å; Y95-T99 PolarHBondContact O-N 3.05Å; Y95-T99 PolarHBondContact O-OG1 3.09Å; Y96-T99 PolarHBondContact O-N 3.31Å; Y96-T99 PolarHBondContact O-OG1 2.92Å; Y96-T99 VanDerWaalsContact O-OG1 3.11Å; T99-M102 PolarHBondContact O-N 3.32Å; T99-A103 PolarHBondContact O-N 2.84Å; T99-H307 PolarHBondContact O-CE1 3.45Å; T99-L312 HydrophobicContact CG2-CD2 3.89Å; T99-L315 HydrophobicContact CG2-CD2 3.67Å; T99-N436 PolarHBondContact OG1-OD1 3.5Å; T99-D438 PolarHBondContact OG1-OD1 2.92Å |
| 100 | T | 93.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.2 | -43.3 | 177.4 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | Y96 M102 A103 V104 D438 A441 T472 S475 | Y96-T100 WeakPolarHBondContact O-CB 3.37Å; Y96-T100 PolarHBondContact O-N 3.28Å; Y96-T100 PolarHBondContact O-OG1 3.47Å; T100-M102 PolarHBondContact O-N 3.47Å; T100-A103 WeakPolarHBondContact O-CB 3.46Å; T100-A103 PolarHBondContact O-N 3.14Å; T100-V104 WeakPolarHBondContact O-CG2 3.48Å; T100-V104 PolarHBondContact O-N 3.2Å; T100-D438 WeakPolarHBondContact CA-OD1 3.24Å; T100-D438 WeakPolarHBondContact CB-OD1 3.38Å; T100-D438 PolarHBondContact N-OD1 3.31Å; T100-D438 PolarHBondContact OG1-OD1 3.01Å; T100-A441 HydrophobicContact CG2-CB 3.48Å; T100-A441 VanDerWaalsContact CG2-CB 3.48Å; T100-T472 HydrophobicContact CG2-CG2 4.02Å; T100-S475 WeakPolarHBondContact CG2-OG 3.46Å |
| 101 | F | 93.4 | Very high | 92.9 | Very high | 76 Ų | 76 | 37.1 Ų | 37.1 | 33% | 0.333 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.5 | -43.6 | 173.9 | -177.9 | -106.7 | 0 | 0 | 0 | 111.9 | L97 W98 A103 V104 I105 | L97-F101 VanDerWaalsContact O-CB 3.29Å; L97-F101 WeakPolarHBondContact O-CB 3.23Å; L97-F101 PolarHBondContact O-N 3.37Å; W98-F101 PolarHBondContact O-N 3.23Å; F101-A103 VanDerWaalsContact C-N 3.34Å; F101-A103 PolarHBondContact O-N 2.93Å; F101-V104 WeakPolarHBondContact O-CB 3.36Å; F101-V104 PolarHBondContact O-N 3.09Å; F101-I105 HydrophobicContact CD1-CG1 4.41Å; F101-I105 HydrophobicContact CE1-CD1 4.42Å; F101-I105 HydrophobicContact CE1-CG1 4.05Å; F101-I105 HydrophobicContact CE2-CD1 4.34Å; F101-I105 HydrophobicContact CZ-CD1 4Å; F101-I105 HydrophobicContact CZ-CG1 4.12Å; F101-I105 WeakPolarHBondContact O-CG1 3.24Å; F101-I105 PolarHBondContact O-N 2.9Å |
| 102 | M | 95.1 | Very high | 93.1 | Very high | 53 Ų | 53 | 36.9 Ų | 36.9 | 26% | 0.261 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 173.9 | -71.9 | -68.7 | 99 | 0 | 0 | 112.6 | W98 T99 T100 V104 I105 V106 | W98-M102 HydrophobicContact CD2-CG 4.48Å; W98-M102 HydrophobicContact CH2-CE 4.11Å; W98-M102 HydrophobicContact CZ2-CE 4.11Å; W98-M102 HydrophobicContact CZ2-CG 4.28Å; W98-M102 HydrophobicContact CZ2-SD 4.06Å; W98-M102 VanDerWaalsContact O-CG 3.32Å; W98-M102 WeakPolarHBondContact O-CG 3.41Å; W98-M102 PolarHBondContact O-N 2.81Å; T99-M102 PolarHBondContact O-N 3.32Å; T100-M102 PolarHBondContact O-N 3.47Å; M102-V104 VanDerWaalsContact C-N 3.32Å; M102-V104 PolarHBondContact O-N 2.95Å; M102-I105 HydrophobicContact CE-CG1 4.42Å; M102-I105 PolarHBondContact O-N 2.96Å; M102-V106 WeakPolarHBondContact O-CG2 3.44Å; M102-V106 PolarHBondContact O-N 3.39Å |
| 103 | A | 96.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | T99 T100 F101 V106 G107 D438 L442 | T99-A103 PolarHBondContact O-N 2.84Å; T100-A103 WeakPolarHBondContact O-CB 3.46Å; T100-A103 PolarHBondContact O-N 3.14Å; F101-A103 VanDerWaalsContact C-N 3.34Å; F101-A103 PolarHBondContact O-N 2.93Å; A103-V106 WeakPolarHBondContact O-CB 3.34Å; A103-V106 PolarHBondContact O-N 2.85Å; A103-G107 PolarHBondContact O-N 3.37Å; A103-D438 HydrophobicContact CB-CB 4Å; A103-L442 HydrophobicContact CB-CB 4.22Å; A103-L442 WeakPolarHBondContact O-CD1 3.34Å; A103-L442 WeakPolarHBondContact O-CG 3.36Å |
| 104 | V | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.3 | -47.1 | 176.7 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | T100 F101 M102 V106 G107 I108 A441 A445 S468 A471 | T100-V104 WeakPolarHBondContact O-CG2 3.48Å; T100-V104 PolarHBondContact O-N 3.2Å; F101-V104 WeakPolarHBondContact O-CB 3.36Å; F101-V104 PolarHBondContact O-N 3.09Å; M102-V104 VanDerWaalsContact C-N 3.32Å; M102-V104 PolarHBondContact O-N 2.95Å; V104-V106 VanDerWaalsContact C-N 3.28Å; V104-V106 PolarHBondContact O-N 2.89Å; V104-G107 WeakPolarHBondContact O-CA 3.49Å; V104-G107 PolarHBondContact O-N 2.97Å; V104-G107 VanDerWaalsContact O-N 3.08Å; V104-I108 HydrophobicContact CG1-CD1 3.89Å; V104-I108 HydrophobicContact CG1-CG1 4.45Å; V104-I108 WeakPolarHBondContact O-CG1 3.41Å; V104-I108 PolarHBondContact O-N 3.13Å; V104-A441 HydrophobicContact CG2-CB 3.48Å; V104-A441 VanDerWaalsContact CG2-CB 3.48Å; V104-A445 HydrophobicContact CG1-CB 4.01Å; V104-S468 WeakPolarHBondContact CG1-OG 3.33Å; V104-A471 HydrophobicContact CG2-CB 4.26Å |
| 105 | I | 95.8 | Very high | 93.8 | Very high | 71 Ų | 71 | 45 Ų | 45 | 36% | 0.364 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -59.4 | -41.2 | 176.8 | -63.6 | -56.5 | 0 | 0 | 0 | 111.1 | F101 M102 G107 I108 F109 | F101-I105 HydrophobicContact CD1-CG1 4.41Å; F101-I105 HydrophobicContact CE1-CD1 4.42Å; F101-I105 HydrophobicContact CE1-CG1 4.05Å; F101-I105 HydrophobicContact CE2-CD1 4.34Å; F101-I105 HydrophobicContact CZ-CD1 4Å; F101-I105 HydrophobicContact CZ-CG1 4.12Å; F101-I105 WeakPolarHBondContact O-CG1 3.24Å; F101-I105 PolarHBondContact O-N 2.9Å; M102-I105 HydrophobicContact CE-CG1 4.42Å; M102-I105 PolarHBondContact O-N 2.96Å; I105-G107 VanDerWaalsContact C-N 3.34Å; I105-G107 PolarHBondContact O-N 3.33Å; I105-I108 PolarHBondContact O-N 2.86Å; I105-F109 WeakPolarHBondContact O-CB 3.3Å; I105-F109 PolarHBondContact O-N 3.37Å |
| 106 | V | 96.7 | Very high | 93.6 | Very high | 20 Ų | 20 | 44.1 Ų | 44.1 | 12% | 0.121 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.2 | -42.6 | 175.1 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | M102 A103 V104 F109 M110 L306 I311 L442 | M102-V106 WeakPolarHBondContact O-CG2 3.44Å; M102-V106 PolarHBondContact O-N 3.39Å; A103-V106 WeakPolarHBondContact O-CB 3.34Å; A103-V106 PolarHBondContact O-N 2.85Å; V104-V106 VanDerWaalsContact C-N 3.28Å; V104-V106 PolarHBondContact O-N 2.89Å; V106-F109 PolarHBondContact O-N 3.38Å; V106-M110 VanDerWaalsContact O-CB 3.3Å; V106-M110 WeakPolarHBondContact O-CB 3.39Å; V106-M110 PolarHBondContact O-N 3.23Å; V106-L306 HydrophobicContact CG1-CB 4.42Å; V106-L306 HydrophobicContact CG1-CD2 3.88Å; V106-L306 HydrophobicContact CG1-CG 4.27Å; V106-I311 HydrophobicContact CB-CD1 4.39Å; V106-I311 HydrophobicContact CG1-CD1 4.39Å; V106-I311 HydrophobicContact CG2-CD1 3.2Å; V106-L442 HydrophobicContact CB-CD1 4.47Å; V106-L442 HydrophobicContact CG1-CD1 4.23Å |
| 107 | G | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.7 | -49.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A103 V104 I105 F109 M110 V111 V446 | A103-G107 PolarHBondContact O-N 3.37Å; V104-G107 WeakPolarHBondContact O-CA 3.49Å; V104-G107 PolarHBondContact O-N 2.97Å; V104-G107 VanDerWaalsContact O-N 3.08Å; I105-G107 VanDerWaalsContact C-N 3.34Å; I105-G107 PolarHBondContact O-N 3.33Å; G107-F109 VanDerWaalsContact C-N 3.35Å; G107-F109 PolarHBondContact O-N 3.46Å; G107-M110 PolarHBondContact O-N 3.47Å; G107-V111 WeakPolarHBondContact O-CG1 3.24Å; G107-V111 PolarHBondContact O-N 2.89Å; G107-V446 VanDerWaalsContact CA-CG2 3.48Å; G107-V446 VanDerWaalsContact O-CG2 3.3Å; G107-V446 WeakPolarHBondContact O-CG2 3.23Å |
| 108 | I | 95.4 | Very high | 92.4 | Very high | 20 Ų | 20 | 42 Ų | 42 | 10% | 0.103 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.7 | -45.1 | 177.5 | -65.2 | 170.2 | 0 | 0 | 0 | 110.5 | V104 I105 M110 V111 S112 A445 I449 I464 | V104-I108 HydrophobicContact CG1-CD1 3.89Å; V104-I108 HydrophobicContact CG1-CG1 4.45Å; V104-I108 WeakPolarHBondContact O-CG1 3.41Å; V104-I108 PolarHBondContact O-N 3.13Å; I105-I108 PolarHBondContact O-N 2.86Å; I108-M110 PolarHBondContact O-N 2.99Å; I108-V111 VanDerWaalsContact O-CG1 3.3Å; I108-V111 WeakPolarHBondContact O-CG1 3.35Å; I108-S112 VanDerWaalsContact O-CB 3.22Å; I108-S112 WeakPolarHBondContact O-CB 3.36Å; I108-S112 PolarHBondContact O-N 2.99Å; I108-S112 PolarHBondContact O-OG 3.07Å; I108-A445 HydrophobicContact CG1-CB 4.05Å; I108-I449 HydrophobicContact CB-CD1 4.2Å; I108-I449 HydrophobicContact CG1-CD1 3.85Å; I108-I449 HydrophobicContact CG2-CD1 4Å; I108-I464 HydrophobicContact CD1-CG2 4.14Å; I108-I464 HydrophobicContact CG2-CG2 3.99Å |
| 109 | F | 95.3 | Very high | 90.7 | Very high | 133 Ų | 133 | 37.2 Ų | 37.2 | 58% | 0.583 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -63.3 | -43.7 | 177.8 | -168.7 | -109.5 | 0 | 0 | 0 | 111.8 | I105 V106 G107 S112 I113 | I105-F109 WeakPolarHBondContact O-CB 3.3Å; I105-F109 PolarHBondContact O-N 3.37Å; V106-F109 PolarHBondContact O-N 3.38Å; G107-F109 VanDerWaalsContact C-N 3.35Å; G107-F109 PolarHBondContact O-N 3.46Å; F109-S112 PolarHBondContact O-N 2.88Å; F109-I113 HydrophobicContact CD1-CD1 3.53Å; F109-I113 HydrophobicContact CD2-CD1 4.34Å; F109-I113 HydrophobicContact CE1-CD1 3.15Å; F109-I113 HydrophobicContact CE1-CG1 4.41Å; F109-I113 HydrophobicContact CE2-CD1 4.02Å; F109-I113 HydrophobicContact CG-CD1 4.13Å; F109-I113 HydrophobicContact CZ-CD1 3.43Å; F109-I113 VanDerWaalsContact CZ-CD1 3.43Å; F109-I113 HydrophobicContact CZ-CG1 4.47Å; F109-I113 WeakPolarHBondContact O-CG1 3.46Å; F109-I113 PolarHBondContact O-N 3.17Å |
| 110 | M | 95.1 | Very high | 88.7 | Confident | 30 Ų | 30 | 38.6 Ų | 38.6 | 15% | 0.148 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.8 | -44.4 | -178.9 | -166.4 | 65.4 | 80 | 0 | 0 | 112 | V106 G107 I108 I113 I114 T299 C302 L306 | V106-M110 VanDerWaalsContact O-CB 3.3Å; V106-M110 WeakPolarHBondContact O-CB 3.39Å; V106-M110 PolarHBondContact O-N 3.23Å; G107-M110 PolarHBondContact O-N 3.47Å; I108-M110 PolarHBondContact O-N 2.99Å; M110-I113 PolarHBondContact O-N 3.37Å; M110-I114 HydrophobicContact CG-CD1 3.92Å; M110-I114 WeakPolarHBondContact O-CG1 3.36Å; M110-I114 PolarHBondContact O-N 3.24Å; M110-I114 HydrophobicContact SD-CD1 3.72Å; M110-I114 HydrophobicContact SD-CG1 4.43Å; M110-T299 HydrophobicContact CB-CG2 4.24Å; M110-T299 HydrophobicContact CG-CG2 3.77Å; M110-C302 HydrophobicContact CE-CB 3.99Å; M110-C302 HydrophobicContact SD-CB 4.19Å; M110-L306 HydrophobicContact CE-CB 4.24Å; M110-L306 HydrophobicContact CE-CD2 3.7Å |
| 111 | V | 95.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.1 | -32.6 | 179.2 | 70 | 0 | 0 | 0 | 0 | 112.7 | G107 I108 I113 H115 P116 T299 V446 I449 | G107-V111 WeakPolarHBondContact O-CG1 3.24Å; G107-V111 PolarHBondContact O-N 2.89Å; I108-V111 VanDerWaalsContact O-CG1 3.3Å; I108-V111 WeakPolarHBondContact O-CG1 3.35Å; V111-I113 VanDerWaalsContact C-N 3.34Å; V111-H115 WeakPolarHBondContact O-CA 3.32Å; V111-H115 PolarHBondContact O-N 3.37Å; V111-P116 HydrophobicContact CG2-CG 3.84Å; V111-P116 WeakPolarHBondContact O-CD 3.3Å; V111-T299 HydrophobicContact CB-CG2 4.03Å; V111-T299 HydrophobicContact CG2-CG2 4.45Å; V111-V446 HydrophobicContact CB-CB 4.47Å; V111-V446 HydrophobicContact CB-CG1 4.08Å; V111-V446 HydrophobicContact CB-CG2 4.38Å; V111-V446 HydrophobicContact CG2-CG1 4.15Å; V111-I449 HydrophobicContact CB-CG2 4.46Å; V111-I449 HydrophobicContact CG1-CB 3.76Å; V111-I449 HydrophobicContact CG1-CD1 3.57Å; V111-I449 HydrophobicContact CG1-CG1 4.25Å; V111-I449 HydrophobicContact CG1-CG2 3.69Å; V111-I449 HydrophobicContact CG2-CB 4.13Å; V111-I449 HydrophobicContact CG2-CG2 3.9Å |
| 112 | S | 91 | Very high | 84.1 | Confident | 49 Ų | 49 | 49.3 Ų | 49.3 | 34% | 0.343 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -78.4 | -13.2 | 174.7 | -62.3 | 0 | 0 | 0 | 0 | 113.6 | I108 F109 H115 | I108-S112 VanDerWaalsContact O-CB 3.22Å; I108-S112 WeakPolarHBondContact O-CB 3.36Å; I108-S112 PolarHBondContact O-N 2.99Å; I108-S112 PolarHBondContact O-OG 3.07Å; F109-S112 PolarHBondContact O-N 2.88Å; S112-H115 PolarHBondContact O-CE1 3.47Å; S112-H115 PolarHBondContact O-ND1 3.44Å |
| 113 | I | 91.6 | Very high | 81.7 | Confident | 101 Ų | 101 | 54.8 Ų | 54.8 | 52% | 0.518 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -89 | -51.2 | 169.5 | -73.2 | 171.7 | 0 | 0 | 0 | 109.8 | F109 M110 V111 H115 | F109-I113 HydrophobicContact CD1-CD1 3.53Å; F109-I113 HydrophobicContact CD2-CD1 4.34Å; F109-I113 HydrophobicContact CE1-CD1 3.15Å; F109-I113 HydrophobicContact CE1-CG1 4.41Å; F109-I113 HydrophobicContact CE2-CD1 4.02Å; F109-I113 HydrophobicContact CG-CD1 4.13Å; F109-I113 HydrophobicContact CZ-CD1 3.43Å; F109-I113 VanDerWaalsContact CZ-CD1 3.43Å; F109-I113 HydrophobicContact CZ-CG1 4.47Å; F109-I113 WeakPolarHBondContact O-CG1 3.46Å; F109-I113 PolarHBondContact O-N 3.17Å; M110-I113 PolarHBondContact O-N 3.37Å; V111-I113 VanDerWaalsContact C-N 3.34Å; I113-H115 VanDerWaalsContact C-N 3.35Å; I113-H115 PolarHBondContact O-N 3.48Å |
| 114 | I | 91.5 | Very high | 79.1 | Confident | 52 Ų | 52 | 61 Ų | 61 | 27% | 0.267 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -74.6 | -28.6 | -172.3 | -62.2 | 175.6 | 0 | 0 | 0 | 111.5 | M110 F295 T299 | M110-I114 HydrophobicContact CG-CD1 3.92Å; M110-I114 WeakPolarHBondContact O-CG1 3.36Å; M110-I114 PolarHBondContact O-N 3.24Å; M110-I114 HydrophobicContact SD-CD1 3.72Å; M110-I114 HydrophobicContact SD-CG1 4.43Å; I114-F295 HydrophobicContact CG2-CD1 4.39Å; I114-T299 HydrophobicContact CD1-CG2 4.18Å; I114-T299 WeakPolarHBondContact CG2-OG1 3.09Å |
| 115 | H | 90.4 | Very high | 76.3 | Confident | 97 Ų | 97 | 67.2 Ų | 67.2 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | trans | 47 | 57.4 | -177.3 | -77.1 | 93.8 | 0 | 0 | 0 | 113.5 | V111 S112 I113 G117 G118 A119 Q453 | V111-H115 WeakPolarHBondContact O-CA 3.32Å; V111-H115 PolarHBondContact O-N 3.37Å; S112-H115 PolarHBondContact O-CE1 3.47Å; S112-H115 PolarHBondContact O-ND1 3.44Å; I113-H115 VanDerWaalsContact C-N 3.35Å; I113-H115 PolarHBondContact O-N 3.48Å; H115-G117 VanDerWaalsContact C-N 3.26Å; H115-G117 PolarHBondContact O-N 3.39Å; H115-G118 PolarHBondContact O-N 2.88Å; H115-G118 VanDerWaalsContact O-N 3.1Å; H115-A119 PolarHBondContact O-N 3.4Å; H115-Q453 PolarHBondContact CD2-NE2 2.98Å | ||
| 116 | P | 89 | Confident | 73.6 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -29.2 | -172.7 | 23.8 | -33.4 | 0 | 0 | 0 | 114.3 | V111 F295 F450 | V111-P116 HydrophobicContact CG2-CG 3.84Å; V111-P116 WeakPolarHBondContact O-CD 3.3Å; P116-F295 HydrophobicContact CB-CB 3.77Å; P116-F450 HydrophobicContact CB-CD2 3.98Å; P116-F450 HydrophobicContact CB-CE2 4.26Å; P116-F450 HydrophobicContact CG-CD2 3.86Å |
| 117 | G | 81.6 | Confident | 70.8 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -26.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | H115 K292 | H115-G117 VanDerWaalsContact C-N 3.26Å; H115-G117 PolarHBondContact O-N 3.39Å; G117-K292 WeakPolarHBondContact O-CD 3.28Å; G117-K292 WeakPolarHBondContact O-CE 3.36Å; G117-K292 PolarHBondContact O-NZ 3.12Å; G117-K292 VanDerWaalsContact O-NZ 3.11Å |
| 118 | G | 73 | Confident | 68.1 | Low | 35 Ų | 35 | 84.4 Ų | 84.4 | 36% | 0.361 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -21.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | H115 A120 Q121 | H115-G118 PolarHBondContact O-N 2.88Å; H115-G118 VanDerWaalsContact O-N 3.1Å; G118-A120 PolarHBondContact O-N 2.93Å; G118-Q121 CarbonylContact O-C 3.54Å; G118-Q121 PolarHBondContact O-N 2.95Å |
| 119 | A | 57.9 | Low | 65.5 | Low | 40 Ų | 40 | 87.3 Ų | 87.3 | 33% | 0.331 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -7.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | H115 F295 | H115-A119 PolarHBondContact O-N 3.4Å; A119-F295 HydrophobicContact CB-CD2 4.27Å; A119-F295 HydrophobicContact CB-CG 4.39Å |
| 120 | A | 52.6 | Low | 63.2 | Low | 31 Ų | 31 | 86.6 Ų | 86.6 | 26% | 0.256 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -4.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | G118 K292 | G118-A120 PolarHBondContact O-N 2.93Å; A120-K292 HydrophobicContact CB-CD 4.24Å; A120-K292 HydrophobicContact CB-CG 3.55Å |
| 121 | Q | 47.3 | Very low | 61 | Low | 101 Ų | 101 | 90 Ų | 90 | 47% | 0.472 | 50% | 0.504 | S | S | . | . | trans | -111.9 | 86.4 | 170.7 | -87.6 | -178.3 | -33.1 | 0 | 0 | 109 | G118 N456 | G118-Q121 CarbonylContact O-C 3.54Å; G118-Q121 PolarHBondContact O-N 2.95Å; Q121-N456 PolarHBondContact OE1-OD1 3.07Å | ||
| 122 | K | 43.3 | Very low | 58.9 | Low | 202 Ų | 202 | 97.5 Ų | 97.5 | 88% | 0.878 | 54% | 0.543 | S | S | * | . | trans | -92.5 | 114.3 | 147.8 | -136.2 | 178.4 | -177 | -176.4 | 0 | 104 | ||||
| 123 | E | 44.9 | Very low | 57.2 | Low | 169 Ų | 169 | 97.3 Ų | 97.3 | 79% | 0.79 | 54% | 0.537 | S | S | * | . | S | Bend | trans | 116.2 | 126 | 171.3 | -58.6 | -166.3 | -175.2 | 0 | 0 | 117 | ||
| 124 | T | 40.4 | Very low | 56.1 | Low | 131 Ų | 131 | 95.5 Ų | 95.5 | 80% | 0.804 | 53% | 0.533 | S | S | * | . | trans | 65.8 | 85.8 | 171.8 | 23.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 125 | T | 38.1 | Very low | 54.9 | Low | 129 Ų | 129 | 95.8 Ų | 95.8 | 79% | 0.791 | 54% | 0.54 | S | S | * | . | trans | -89.8 | 94.7 | 157.8 | -51.4 | 0 | 0 | 0 | 0 | 108.6 | Q127 | T125-Q127 PolarHBondContact O-N 3.02Š| ||
| 126 | E | 39.7 | Very low | 54 | Low | 182 Ų | 182 | 93.7 Ų | 93.7 | 85% | 0.85 | 54% | 0.54 | S | S | * | . | trans | -69 | 120.8 | 151 | -79.4 | -164.3 | 155.2 | 0 | 0 | 107.3 | S128 | E126-S128 PolarHBondContact O-N 3.38Š| ||
| 127 | Q | 38 | Very low | 53.4 | Low | 182 Ų | 182 | 95.1 Ų | 95.1 | 85% | 0.85 | 55% | 0.547 | S | S | * | . | trans | -61.7 | 105.4 | 177 | -76.1 | 175.5 | -29.4 | 0 | 0 | 109.2 | T125 G129 | T125-Q127 PolarHBondContact O-N 3.02Å; Q127-G129 PolarHBondContact O-N 3.04Å | ||
| 128 | S | 39.5 | Very low | 52.8 | Low | 88 Ų | 88 | 95.6 Ų | 95.6 | 62% | 0.615 | 55% | 0.551 | S | S | * | * | trans | -65 | 105.8 | 167.8 | -169.4 | 0 | 0 | 0 | 0 | 107.6 | E126 K130 | E126-S128 PolarHBondContact O-N 3.38Å; S128-K130 PolarHBondContact O-N 2.83Å | ||
| 129 | G | 40.3 | Very low | 52.7 | Low | 82 Ų | 82 | 97.4 Ų | 97.4 | 85% | 0.845 | 55% | 0.552 | S | S | * | * | trans | -67.3 | 60.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q127 | Q127-G129 PolarHBondContact O-N 3.04Š| ||
| 130 | K | 46.3 | Very low | 53.8 | Low | 118 Ų | 118 | 99.1 Ų | 99.1 | 51% | 0.513 | 56% | 0.555 | S | S | . | * | trans | -79.6 | 133.1 | 161.2 | -73.8 | 175.6 | -177.9 | 160.3 | 0 | 107.3 | S128 I132 Y457 | S128-K130 PolarHBondContact O-N 2.83Å; K130-I132 PolarHBondContact O-N 2.83Å; K130-Y457 VanDerWaalsContact NZ-CE1 3.3Å | ||
| 131 | P | 49.1 | Very low | 55.1 | Low | 100 Ų | 100 | 98.1 Ų | 98.1 | 65% | 0.649 | 55% | 0.546 | S | S | * | . | trans | -60.2 | 125.7 | -174.6 | 23.4 | -31.9 | 0 | 0 | 0 | 109.7 | M133 | P131-M133 PolarHBondContact O-N 3.34Š| ||
| 132 | I | 51.7 | Low | 56.6 | Low | 159 Ų | 159 | 94 Ų | 94 | 82% | 0.815 | 53% | 0.527 | S | S | * | . | trans | -63.1 | 102.7 | 173.3 | -59.2 | 166.8 | 0 | 0 | 0 | 106.3 | K130 | K130-I132 PolarHBondContact O-N 2.83Š| ||
| 133 | M | 55.5 | Low | 58.5 | Low | 44 Ų | 44 | 88.4 Ų | 88.4 | 22% | 0.217 | 51% | 0.505 | C | S | . | . | trans | -61.2 | 137.3 | 164 | -83.8 | -179.2 | 71.1 | 0 | 0 | 107.5 | P131 S135 D137 | P131-M133 PolarHBondContact O-N 3.34Å; M133-S135 PolarHBondContact O-N 3.5Å; M133-D137 HydrophobicContact CE-CB 4.19Å | ||
| 134 | S | 67 | Low | 60.5 | Low | 64 Ų | 64 | 84.8 Ų | 84.8 | 45% | 0.448 | 49% | 0.485 | S | S | . | . | trans | -60.9 | 135.5 | 169 | 178.2 | 0 | 0 | 0 | 0 | 109 | A136 D137 A138 | S134-A136 PolarHBondContact O-N 2.89Å; S134-A136 VanDerWaalsContact O-N 3.07Å; S134-D137 WeakPolarHBondContact O-CB 3.46Å; S134-D137 PolarHBondContact O-N 3.42Å; S134-A138 PolarHBondContact O-N 3.3Å | ||
| 135 | S | 66.9 | Low | 62.6 | Low | 57 Ų | 57 | 79.4 Ų | 79.4 | 40% | 0.399 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.4 | -26.8 | 178.2 | -46.7 | 0 | 0 | 0 | 0 | 112.9 | M133 L139 D460 | M133-S135 PolarHBondContact O-N 3.5Å; S135-L139 PolarHBondContact O-N 3.35Å; S135-L139 VanDerWaalsContact O-N 3.09Å; S135-D460 VanDerWaalsContact CA-OD2 3.24Å; S135-D460 WeakPolarHBondContact CA-OD2 3.38Å; S135-D460 WeakPolarHBondContact CB-OD1 3.36Å; S135-D460 PolarHBondContact OG-OD1 3.34Å |
| 136 | A | 72 | Confident | 64.8 | Low | 54 Ų | 54 | 75.6 Ų | 75.6 | 45% | 0.446 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | S134 A138 L139 L140 | S134-A136 PolarHBondContact O-N 2.89Å; S134-A136 VanDerWaalsContact O-N 3.07Å; A136-A138 VanDerWaalsContact C-N 3.32Å; A136-A138 PolarHBondContact O-N 3.39Å; A136-L139 PolarHBondContact O-N 3.38Å; A136-L140 WeakPolarHBondContact O-CB 3.44Å; A136-L140 VanDerWaalsContact O-CG 3.26Å; A136-L140 WeakPolarHBondContact O-CG 3.17Å; A136-L140 PolarHBondContact O-N 2.91Å |
| 137 | D | 75.4 | Confident | 67.2 | Low | 29 Ų | 29 | 73 Ų | 73 | 16% | 0.155 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 178.6 | -75.1 | -18.5 | 0 | 0 | 0 | 110.9 | M133 S134 L140 D141 T161 S212 | M133-D137 HydrophobicContact CE-CB 4.19Å; S134-D137 WeakPolarHBondContact O-CB 3.46Å; S134-D137 PolarHBondContact O-N 3.42Å; D137-L140 PolarHBondContact O-N 3.04Å; D137-D141 WeakPolarHBondContact O-CB 3.49Å; D137-D141 VanDerWaalsContact O-CG 3.24Å; D137-D141 PolarHBondContact O-N 2.82Å; D137-T161 HydrophobicContact CB-CG2 4.43Å; D137-S212 PolarHBondContact OD2-OG 2.97Å |
| 138 | A | 70.1 | Confident | 69.6 | Low | 10 Ų | 10 | 65.8 Ų | 65.8 | 8% | 0.083 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S134 A136 D141 L142 D460 | S134-A138 PolarHBondContact O-N 3.3Å; A136-A138 VanDerWaalsContact C-N 3.32Å; A136-A138 PolarHBondContact O-N 3.39Å; A138-D141 PolarHBondContact O-N 3.19Å; A138-L142 PolarHBondContact O-N 2.8Å; A138-D460 WeakPolarHBondContact CB-OD2 3.47Å |
| 139 | L | 70.6 | Confident | 72.1 | Confident | 73 Ų | 73 | 67 Ų | 67 | 38% | 0.382 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 175.4 | -178.5 | 65.4 | 0 | 0 | 0 | 111.9 | S135 A136 L142 I143 | S135-L139 PolarHBondContact O-N 3.35Å; S135-L139 VanDerWaalsContact O-N 3.09Å; A136-L139 PolarHBondContact O-N 3.38Å; L139-L142 HydrophobicContact CD1-CD2 4.24Å; L139-L142 WeakPolarHBondContact O-CB 2.77Å; L139-L142 PolarHBondContact O-N 2.92Å; L139-I143 WeakPolarHBondContact O-CG1 3.36Å; L139-I143 PolarHBondContact O-N 2.76Å; L139-I143 VanDerWaalsContact O-N 3.13Å |
| 140 | L | 81.2 | Confident | 74.6 | Confident | 77 Ų | 77 | 66.9 Ų | 66.9 | 40% | 0.403 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.2 | -39.8 | 176.7 | -69.5 | 175.4 | 0 | 0 | 0 | 111.4 | A136 D137 L142 I143 R144 | A136-L140 WeakPolarHBondContact O-CB 3.44Å; A136-L140 VanDerWaalsContact O-CG 3.26Å; A136-L140 WeakPolarHBondContact O-CG 3.17Å; A136-L140 PolarHBondContact O-N 2.91Å; D137-L140 PolarHBondContact O-N 3.04Å; L140-L142 VanDerWaalsContact C-N 3.33Å; L140-I143 PolarHBondContact O-N 3.22Å; L140-R144 VanDerWaalsContact O-CG 3.25Å; L140-R144 WeakPolarHBondContact O-CG 3.29Å; L140-R144 PolarHBondContact O-N 2.85Å |
| 141 | D | 80.8 | Confident | 76.7 | Confident | 10 Ų | 10 | 64.6 Ų | 64.6 | 5% | 0.053 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 174.2 | -76 | -3.3 | 0 | 0 | 0 | 112.1 | D137 A138 R144 N145 Y159 T161 | D137-D141 WeakPolarHBondContact O-CB 3.49Å; D137-D141 VanDerWaalsContact O-CG 3.24Å; D137-D141 PolarHBondContact O-N 2.82Å; A138-D141 PolarHBondContact O-N 3.19Å; D141-R144 PolarHBondContact O-N 3.28Å; D141-R144 IonicContact OD1-NH1 2.85Å; D141-R144 PolarHBondContact OD1-NH1 2.97Å; D141-N145 WeakPolarHBondContact O-CB 3.43Å; D141-N145 PolarHBondContact O-N 3.47Å; D141-N145 PolarHBondContact O-ND2 3.32Å; D141-Y159 WeakPolarHBondContact OD1-CD1 3.4Å; D141-Y159 VanDerWaalsContact OD1-CE1 3.28Å; D141-Y159 WeakPolarHBondContact OD1-CE1 3.34Å; D141-T161 VanDerWaalsContact CG-OG1 3.3Å; D141-T161 PolarHBondContact OD1-OG1 2.85Å; D141-T161 WeakPolarHBondContact OD2-CB 3.35Å; D141-T161 PolarHBondContact OD2-N 2.88Å; D141-T161 PolarHBondContact OD2-OG1 2.68Å |
| 142 | L | 78.4 | Confident | 78.8 | Confident | 15 Ų | 15 | 64.7 Ų | 64.7 | 8% | 0.079 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.1 | -49.9 | 172.7 | 168.4 | 65.8 | 0 | 0 | 0 | 111.3 | A138 L139 L140 N145 M146 L223 I465 T466 I469 | A138-L142 PolarHBondContact O-N 2.8Å; L139-L142 HydrophobicContact CD1-CD2 4.24Å; L139-L142 WeakPolarHBondContact O-CB 2.77Å; L139-L142 PolarHBondContact O-N 2.92Å; L140-L142 VanDerWaalsContact C-N 3.33Å; L142-N145 PolarHBondContact O-N 3.12Å; L142-M146 PolarHBondContact O-N 3.41Å; L142-L223 HydrophobicContact CD1-CD2 3.27Å; L142-L223 HydrophobicContact CG-CD2 4.48Å; L142-I465 HydrophobicContact CD2-CB 4.3Å; L142-I465 HydrophobicContact CD2-CG2 3.67Å; L142-T466 HydrophobicContact CD1-CG2 3.95Å; L142-T466 WeakPolarHBondContact CD1-OG1 3.39Å; L142-I469 HydrophobicContact CD2-CD1 4.49Å |
| 143 | I | 83.4 | Confident | 80.7 | Confident | 83 Ų | 83 | 60.5 Ų | 60.5 | 43% | 0.426 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | -179.5 | -64.8 | 168.6 | 0 | 0 | 0 | 110.9 | L139 L140 N145 M146 F147 | L139-I143 WeakPolarHBondContact O-CG1 3.36Å; L139-I143 PolarHBondContact O-N 2.76Å; L139-I143 VanDerWaalsContact O-N 3.13Å; L140-I143 PolarHBondContact O-N 3.22Å; I143-N145 VanDerWaalsContact C-N 3.28Å; I143-N145 PolarHBondContact O-N 2.9Å; I143-M146 WeakPolarHBondContact O-CB 3.44Å; I143-M146 PolarHBondContact O-N 2.95Å; I143-M146 VanDerWaalsContact O-N 3.16Å; I143-F147 PolarHBondContact O-N 3.4Å |
| 144 | R | 86.9 | Confident | 82.3 | Confident | 93 Ų | 93 | 58.6 Ų | 58.6 | 35% | 0.351 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.2 | -38 | 176.2 | -70.4 | 170.5 | -170.3 | 134.6 | -1.5 | 111.8 | L140 D141 M146 F147 Y159 T161 | L140-R144 VanDerWaalsContact O-CG 3.25Å; L140-R144 WeakPolarHBondContact O-CG 3.29Å; L140-R144 PolarHBondContact O-N 2.85Å; D141-R144 PolarHBondContact O-N 3.28Å; D141-R144 IonicContact OD1-NH1 2.85Å; D141-R144 PolarHBondContact OD1-NH1 2.97Å; R144-M146 VanDerWaalsContact C-N 3.35Å; R144-F147 CarbonylContact O-C 3.11Å; R144-F147 VanDerWaalsContact O-C 3.23Å; R144-F147 PolarHBondContact O-N 2.93Å; R144-F147 VanDerWaalsContact O-O 3.06Å; R144-Y159 HydrophobicContact CB-CD1 4.19Å; R144-Y159 HydrophobicContact CB-CG 4.26Å; R144-T161 PolarHBondContact NH1-OG1 3.06Å |
| 145 | N | 83.7 | Confident | 83.2 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 10% | 0.096 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -73.6 | -25.2 | 176.9 | -76.9 | -46.8 | 0 | 0 | 0 | 113 | D141 L142 I143 F147 Y159 N221 L223 G224 | D141-N145 WeakPolarHBondContact O-CB 3.43Å; D141-N145 PolarHBondContact O-N 3.47Å; D141-N145 PolarHBondContact O-ND2 3.32Å; L142-N145 PolarHBondContact O-N 3.12Å; I143-N145 VanDerWaalsContact C-N 3.28Å; I143-N145 PolarHBondContact O-N 2.9Å; N145-F147 VanDerWaalsContact C-N 3.27Å; N145-F147 PolarHBondContact O-N 3.35Å; N145-Y159 PolarHBondContact ND2-O 3.44Å; N145-Y159 VanDerWaalsContact OD1-CB 3.31Å; N145-Y159 WeakPolarHBondContact OD1-CB 3.44Å; N145-Y159 PolarHBondContact OD1-N 3.11Å; N145-N221 PolarHBondContact O-ND2 3.23Å; N145-N221 PolarHBondContact O-OD1 2.92Å; N145-L223 HydrophobicContact CB-CD2 4.34Å; N145-G224 WeakPolarHBondContact O-CA 3.31Å; N145-G224 PolarHBondContact O-N 3.44Å |
| 146 | M | 85.1 | Confident | 84.1 | Confident | 49 Ų | 49 | 60.2 Ų | 60.2 | 24% | 0.241 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -66.5 | -30.3 | 172.5 | -164.8 | 169.6 | 74.1 | 0 | 0 | 112.4 | L142 I143 R144 P148 L223 F227 | L142-M146 PolarHBondContact O-N 3.41Å; I143-M146 WeakPolarHBondContact O-CB 3.44Å; I143-M146 PolarHBondContact O-N 2.95Å; I143-M146 VanDerWaalsContact O-N 3.16Å; R144-M146 VanDerWaalsContact C-N 3.35Å; M146-P148 WeakPolarHBondContact O-CD 3.5Å; M146-L223 HydrophobicContact CB-CD2 4.38Å; M146-F227 HydrophobicContact CE-CE2 4.13Å; M146-F227 HydrophobicContact CE-CZ 4.29Å; M146-F227 HydrophobicContact CG-CB 3.97Å; M146-F227 HydrophobicContact CG-CD1 4.03Å; M146-F227 HydrophobicContact CG-CD2 3.51Å; M146-F227 HydrophobicContact CG-CE1 4.45Å; M146-F227 HydrophobicContact CG-CE2 3.97Å; M146-F227 HydrophobicContact CG-CG 3.54Å; M146-F227 HydrophobicContact CG-CZ 4.42Å; M146-F227 HydrophobicContact SD-CD2 3.68Å; M146-F227 HydrophobicContact SD-CE2 3.7Å; M146-F227 HydrophobicContact SD-CG 4.34Å; M146-F227 HydrophobicContact SD-CZ 4.38Å |
| 147 | F | 89.4 | Confident | 84.8 | Confident | 127 Ų | 127 | 60.7 Ų | 60.7 | 56% | 0.557 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -121.3 | 76.6 | 176.8 | -61 | -79.9 | 0 | 0 | 0 | 111.1 | I143 R144 N145 F227 | I143-F147 PolarHBondContact O-N 3.4Å; R144-F147 CarbonylContact O-C 3.11Å; R144-F147 VanDerWaalsContact O-C 3.23Å; R144-F147 PolarHBondContact O-N 2.93Å; R144-F147 VanDerWaalsContact O-O 3.06Å; N145-F147 VanDerWaalsContact C-N 3.27Å; N145-F147 PolarHBondContact O-N 3.35Å; F147-F227 HydrophobicContact CD1-CE1 4.16Å; F147-F227 HydrophobicContact CE1-CD1 4.17Å; F147-F227 AromaticContact CE1-CE1 3.41Å; F147-F227 HydrophobicContact CE1-CE1 3.41Å; F147-F227 VanDerWaalsContact CE1-CE1 3.41Å; F147-F227 HydrophobicContact CE1-CZ 4.04Å; F147-F227 AromaticContact CZ-CE1 3.75Å; F147-F227 HydrophobicContact CZ-CE1 3.75Å; F147-F227 AromaticContact CZ-CZ 3.9Å; F147-F227 HydrophobicContact CZ-CZ 3.9Å |
| 148 | P | 89.2 | Confident | 85.1 | Confident | 32 Ų | 32 | 60.3 Ų | 60.3 | 21% | 0.208 | 32% | 0.32 | C | S | . | . | trans | -63.4 | 140.3 | -179.2 | 27 | -33.9 | 0 | 0 | 0 | 111.2 | M146 N150 L151 A154 | M146-P148 WeakPolarHBondContact O-CD 3.5Å; P148-N150 PolarHBondContact O-N 2.8Å; P148-L151 HydrophobicContact CG-CD2 4.07Å; P148-A154 HydrophobicContact CB-CB 3.76Å; P148-A154 HydrophobicContact CG-CB 4.01Å | ||
| 149 | A | 90.3 | Very high | 85.7 | Confident | 112 Ų | 112 | 63.2 Ų | 63.2 | 93% | 0.926 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -62.4 | -28 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 150 | N | 93.3 | Very high | 86.2 | Confident | 80 Ų | 80 | 65 Ų | 65 | 43% | 0.428 | 33% | 0.331 | S | S | . | . | trans | -144.5 | 127.8 | 177.1 | -175.9 | -57.8 | 0 | 0 | 0 | 110.4 | P148 V152 E153 A154 | P148-N150 PolarHBondContact O-N 2.8Å; N150-V152 WeakPolarHBondContact OD1-CA 3.46Å; N150-V152 WeakPolarHBondContact OD1-CB 3.3Å; N150-V152 PolarHBondContact OD1-N 2.98Å; N150-E153 HydrophobicContact CB-CB 3.87Å; N150-E153 PolarHBondContact OD1-N 2.86Å; N150-A154 WeakPolarHBondContact O-CB 3.07Å; N150-A154 PolarHBondContact O-N 3.13Å | ||
| 151 | L | 91 | Very high | 86.3 | Confident | 71 Ų | 71 | 61.7 Ų | 61.7 | 37% | 0.372 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -33.5 | -178.5 | -70.6 | 170.4 | 0 | 0 | 0 | 113.4 | P148 A154 T155 F228 | P148-L151 HydrophobicContact CG-CD2 4.07Å; L151-A154 WeakPolarHBondContact O-CB 3.18Å; L151-A154 PolarHBondContact O-N 3.14Å; L151-T155 WeakPolarHBondContact O-CG2 3.09Å; L151-F228 HydrophobicContact CD1-CD1 3.92Å; L151-F228 HydrophobicContact CD1-CD2 3.76Å; L151-F228 HydrophobicContact CD1-CE1 3.67Å; L151-F228 HydrophobicContact CD1-CE2 3.5Å; L151-F228 HydrophobicContact CD1-CG 3.96Å; L151-F228 HydrophobicContact CD1-CZ 3.45Å; L151-F228 VanDerWaalsContact CD1-CZ 3.45Å; L151-F228 HydrophobicContact CD2-CB 3.83Å; L151-F228 HydrophobicContact CD2-CD1 3.91Å; L151-F228 HydrophobicContact CD2-CD2 3.94Å; L151-F228 HydrophobicContact CD2-CG 3.59Å; L151-F228 HydrophobicContact CG-CD2 4.46Å; L151-F228 HydrophobicContact CG-CG 4.45Å |
| 152 | V | 93.4 | Very high | 86.2 | Confident | 102 Ų | 102 | 68 Ų | 68 | 62% | 0.618 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -45.2 | 177 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | N150 A154 T155 F156 | N150-V152 WeakPolarHBondContact OD1-CA 3.46Å; N150-V152 WeakPolarHBondContact OD1-CB 3.3Å; N150-V152 PolarHBondContact OD1-N 2.98Å; V152-A154 VanDerWaalsContact C-N 3.28Å; V152-A154 PolarHBondContact O-N 3.18Å; V152-T155 WeakPolarHBondContact O-CB 3.43Å; V152-T155 PolarHBondContact O-N 3.21Å; V152-T155 PolarHBondContact O-OG1 2.79Å; V152-F156 WeakPolarHBondContact O-CD1 3.33Å; V152-F156 VanDerWaalsContact O-CE1 3.31Å; V152-F156 WeakPolarHBondContact O-CE1 3.35Å |
| 153 | E | 91.3 | Very high | 86 | Confident | 71 Ų | 71 | 69 Ų | 69 | 33% | 0.332 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -60.1 | -39.6 | 174.3 | -174.6 | 171.3 | -163.2 | 0 | 0 | 111.7 | N150 T155 F156 K157 | N150-E153 HydrophobicContact CB-CB 3.87Å; N150-E153 PolarHBondContact OD1-N 2.86Å; E153-T155 PolarHBondContact O-N 3.31Å; E153-F156 HydrophobicContact CB-CZ 4.45Å; E153-F156 HydrophobicContact CG-CZ 4.35Å; E153-F156 PolarHBondContact O-N 3.22Å; E153-K157 HydrophobicContact CG-CB 3.95Å; E153-K157 HydrophobicContact CG-CD 4.08Å; E153-K157 PolarHBondContact O-N 3.32Å; E153-K157 WeakPolarHBondContact OE1-CD 3.39Å |
| 154 | A | 88.4 | Confident | 85.5 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 3% | 0.025 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -57.9 | -20.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | P148 N150 L151 V152 F156 K157 N221 I225 | P148-A154 HydrophobicContact CB-CB 3.76Å; P148-A154 HydrophobicContact CG-CB 4.01Å; N150-A154 WeakPolarHBondContact O-CB 3.07Å; N150-A154 PolarHBondContact O-N 3.13Å; L151-A154 WeakPolarHBondContact O-CB 3.18Å; L151-A154 PolarHBondContact O-N 3.14Å; V152-A154 VanDerWaalsContact C-N 3.28Å; V152-A154 PolarHBondContact O-N 3.18Å; A154-F156 VanDerWaalsContact C-N 3.27Å; A154-F156 PolarHBondContact O-N 2.91Å; A154-K157 WeakPolarHBondContact CA-O 3.27Å; A154-N221 HydrophobicContact CB-CB 4.14Å; A154-N221 PolarHBondContact O-N 3Å; A154-I225 HydrophobicContact CB-CG1 4.48Å |
| 155 | T | 87.2 | Confident | 85 | Confident | 46 Ų | 46 | 65.8 Ų | 65.8 | 28% | 0.282 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -71.8 | -19.3 | 176.7 | 69.3 | 0 | 0 | 0 | 0 | 113.7 | L66 L151 V152 E153 M220 I225 | L66-T155 HydrophobicContact CD1-CG2 3.87Å; L66-T155 HydrophobicContact CD2-CG2 3.75Å; L66-T155 HydrophobicContact CG-CG2 4.48Å; L151-T155 WeakPolarHBondContact O-CG2 3.09Å; V152-T155 WeakPolarHBondContact O-CB 3.43Å; V152-T155 PolarHBondContact O-N 3.21Å; V152-T155 PolarHBondContact O-OG1 2.79Å; E153-T155 PolarHBondContact O-N 3.31Å; T155-M220 WeakPolarHBondContact O-CB 3.14Å; T155-M220 WeakPolarHBondContact O-CG 3.42Å; T155-I225 HydrophobicContact CG2-CD1 4.41Å |
| 156 | F | 86 | Confident | 84.4 | Confident | 110 Ų | 110 | 68 Ų | 68 | 48% | 0.482 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.1 | -8.8 | -177.6 | 61.5 | -90.4 | 0 | 0 | 0 | 115 | V152 E153 A154 G219 | V152-F156 WeakPolarHBondContact O-CD1 3.33Å; V152-F156 VanDerWaalsContact O-CE1 3.31Å; V152-F156 WeakPolarHBondContact O-CE1 3.35Å; E153-F156 HydrophobicContact CB-CZ 4.45Å; E153-F156 HydrophobicContact CG-CZ 4.35Å; E153-F156 PolarHBondContact O-N 3.22Å; A154-F156 VanDerWaalsContact C-N 3.27Å; A154-F156 PolarHBondContact O-N 2.91Å; F156-G219 CarbonylContact C-O 3.57Å; F156-G219 CarbonylContact O-C 3.23Å; F156-G219 PolarHBondContact O-N 3.45Å |
| 157 | K | 86.7 | Confident | 83.7 | Confident | 64 Ų | 64 | 69.7 Ų | 69.7 | 28% | 0.278 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 153 | 174.7 | -74.3 | 177.3 | -180 | -176.7 | 0 | 112.3 | E153 A154 G219 N221 | E153-K157 HydrophobicContact CG-CB 3.95Å; E153-K157 HydrophobicContact CG-CD 4.08Å; E153-K157 PolarHBondContact O-N 3.32Å; E153-K157 WeakPolarHBondContact OE1-CD 3.39Å; A154-K157 WeakPolarHBondContact CA-O 3.27Å; K157-G219 CarbonylContact C-O 3.58Å; K157-G219 WeakPolarHBondContact CA-O 3.38Å; K157-G219 PolarHBondContact N-O 3.28Å; K157-G219 VanDerWaalsContact N-O 3.12Å; K157-N221 WeakPolarHBondContact O-CB 3.45Å |
| 158 | Q | 80.4 | Confident | 82.5 | Confident | 21 Ų | 21 | 68.9 Ų | 68.9 | 10% | 0.098 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 151.1 | 171.7 | 68.4 | -174.6 | -0.4 | 0 | 0 | 111.4 | T216 S217 G219 N221 T494 | Q158-T216 CarbonylContact O-C 3.57Å; Q158-T216 WeakPolarHBondContact O-CA 3.44Å; Q158-S217 WeakPolarHBondContact CG-OG 3.49Å; Q158-S217 PolarHBondContact N-O 3.06Å; Q158-S217 PolarHBondContact NE2-OG 3.38Å; Q158-S217 VanDerWaalsContact NE2-OG 3.14Å; Q158-S217 PolarHBondContact O-N 3.16Å; Q158-G219 PolarHBondContact N-O 3.25Å; Q158-N221 HydrophobicContact CB-CB 3.81Å; Q158-T494 PolarHBondContact OE1-O 2.75Å |
| 159 | Y | 83.8 | Confident | 80.9 | Confident | 70 Ų | 70 | 72 Ų | 72 | 28% | 0.275 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 131.7 | 178.6 | -167.4 | -82.7 | 0 | 0 | 0 | 110.3 | D141 R144 N145 P214 | D141-Y159 WeakPolarHBondContact OD1-CD1 3.4Å; D141-Y159 VanDerWaalsContact OD1-CE1 3.28Å; D141-Y159 WeakPolarHBondContact OD1-CE1 3.34Å; R144-Y159 HydrophobicContact CB-CD1 4.19Å; R144-Y159 HydrophobicContact CB-CG 4.26Å; N145-Y159 PolarHBondContact ND2-O 3.44Å; N145-Y159 VanDerWaalsContact OD1-CB 3.31Å; N145-Y159 WeakPolarHBondContact OD1-CB 3.44Å; N145-Y159 PolarHBondContact OD1-N 3.11Å; Y159-P214 HydrophobicContact CE2-CB 4.23Å; Y159-P214 VanDerWaalsContact OH-CB 3.29Å; Y159-P214 WeakPolarHBondContact OH-CB 3.48Å |
| 160 | R | 81 | Confident | 79.2 | Confident | 111 Ų | 111 | 71.9 Ų | 71.9 | 42% | 0.419 | 38% | 0.379 | S | S | . | . | trans | -146.6 | 121.1 | 175.8 | -169.1 | 171.9 | -174.7 | 160.2 | 3 | 110.3 | K162 G215 | R160-K162 PolarHBondContact O-N 3.48Å; R160-G215 CarbonylContact C-O 3.59Å; R160-G215 PolarHBondContact N-O 2.99Å; R160-G215 CarbonylContact O-C 3.57Å; R160-G215 WeakPolarHBondContact O-CA 3.45Å; R160-G215 PolarHBondContact O-N 3.35Å | ||
| 161 | T | 82.4 | Confident | 77.1 | Confident | 8 Ų | 8 | 78 Ų | 78 | 5% | 0.049 | 40% | 0.402 | C | S | . | . | trans | -65.3 | 123.8 | 175.4 | -65.7 | 0 | 0 | 0 | 0 | 109.2 | D137 D141 R144 | D137-T161 HydrophobicContact CB-CG2 4.43Å; D141-T161 VanDerWaalsContact CG-OG1 3.3Å; D141-T161 PolarHBondContact OD1-OG1 2.85Å; D141-T161 WeakPolarHBondContact OD2-CB 3.35Å; D141-T161 PolarHBondContact OD2-N 2.88Å; D141-T161 PolarHBondContact OD2-OG1 2.68Å; R144-T161 PolarHBondContact NH1-OG1 3.06Å | ||
| 162 | K | 79.1 | Confident | 75.1 | Confident | 141 Ų | 141 | 78 Ų | 78 | 61% | 0.613 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 119.6 | 175.4 | -172.3 | 179 | 179.5 | -178 | 0 | 108.4 | R160 T164 E213 | R160-K162 PolarHBondContact O-N 3.48Å; K162-T164 HydrophobicContact CD-CG2 4.33Å; K162-T164 HydrophobicContact CG-CG2 4.26Å; K162-T164 PolarHBondContact O-N 2.87Å; K162-E213 PolarHBondContact N-O 2.88Å; K162-E213 PolarHBondContact O-N 3.3Å |
| 163 | T | 73.3 | Confident | 73.2 | Confident | 36 Ų | 36 | 76.5 Ų | 76.5 | 22% | 0.221 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 113.1 | 174.4 | -44.4 | 0 | 0 | 0 | 0 | 109 | Y210 | T163-Y210 HydrophobicContact CG2-CD1 3.72Å; T163-Y210 HydrophobicContact CG2-CG 4.09Å |
| 164 | T | 74.8 | Confident | 71.4 | Confident | 30 Ų | 30 | 79.4 Ų | 79.4 | 18% | 0.184 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 128.2 | 175.4 | 51.5 | 0 | 0 | 0 | 0 | 109.7 | K162 V166 K211 E213 | K162-T164 HydrophobicContact CD-CG2 4.33Å; K162-T164 HydrophobicContact CG-CG2 4.26Å; K162-T164 PolarHBondContact O-N 2.87Å; T164-V166 PolarHBondContact O-N 3.47Å; T164-K211 PolarHBondContact N-O 3.38Å; T164-K211 PolarHBondContact O-N 2.87Å; T164-K211 PolarHBondContact OG1-O 3.21Å; T164-E213 PolarHBondContact OG1-OE2 2.7Å |
| 165 | P | 74.4 | Confident | 69.6 | Low | 80 Ų | 80 | 88.2 Ų | 88.2 | 52% | 0.519 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 113 | 174 | 28.2 | -31.3 | 0 | 0 | 0 | 108.8 | V208 Y210 | P165-V208 HydrophobicContact CB-CG1 3.49Å; P165-V208 VanDerWaalsContact CB-CG1 3.49Å; P165-Y210 HydrophobicContact CB-CD1 4.38Å; P165-Y210 HydrophobicContact CB-CE1 4.21Å |
| 166 | V | 71.1 | Confident | 67.9 | Low | 65 Ų | 65 | 94 Ų | 94 | 39% | 0.394 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 106.3 | 172.5 | -176.9 | 0 | 0 | 0 | 0 | 107.4 | T164 K168 I209 K211 | T164-V166 PolarHBondContact O-N 3.47Å; V166-K168 PolarHBondContact O-N 2.83Å; V166-I209 PolarHBondContact N-O 2.8Å; V166-I209 PolarHBondContact O-N 3.27Å; V166-K211 HydrophobicContact CG2-CB 3.77Å; V166-K211 HydrophobicContact CG2-CD 4.29Å |
| 167 | V | 71.5 | Confident | 66.2 | Low | 83 Ų | 83 | 91.7 Ų | 91.7 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 113.5 | 173 | -174.6 | 0 | 0 | 0 | 0 | 107.6 | S169 P206 | V167-S169 PolarHBondContact O-N 3.4Å; V167-P206 HydrophobicContact CG1-CB 3.54Å; V167-P206 HydrophobicContact CG1-CG 3.83Å |
| 168 | K | 62.9 | Low | 64.7 | Low | 111 Ų | 111 | 92.9 Ų | 92.9 | 48% | 0.483 | 51% | 0.508 | S | S | . | . | trans | -70.8 | 112.7 | 169 | -85.8 | -176 | 171.7 | 165.2 | 0 | 108 | V166 E207 I209 | V166-K168 PolarHBondContact O-N 2.83Å; K168-E207 PolarHBondContact N-O 3.38Å; K168-I209 HydrophobicContact CD-CD1 3.51Å; K168-I209 HydrophobicContact CG-CD1 4.1Å | ||
| 169 | S | 56.9 | Low | 63.5 | Low | 98 Ų | 98 | 97.5 Ų | 97.5 | 69% | 0.685 | 54% | 0.54 | S | S | * | . | trans | -59.9 | 131 | 163 | -50.7 | 0 | 0 | 0 | 0 | 108.2 | V167 K171 | V167-S169 PolarHBondContact O-N 3.4Å; S169-K171 PolarHBondContact O-N 3.26Å | ||
| 170 | P | 53.5 | Low | 62.2 | Low | 109 Ų | 109 | 103.3 Ų | 103.3 | 71% | 0.708 | 56% | 0.561 | S | S | * | * | trans | -62.6 | 103.6 | 177.2 | 22.5 | -30 | 0 | 0 | 0 | 109.1 | V172 | P170-V172 HydrophobicContact CB-CG2 4.2Å; P170-V172 PolarHBondContact O-N 3.14Å | ||
| 171 | K | 50.8 | Low | 61 | Low | 209 Ų | 209 | 107.5 Ų | 107.5 | 91% | 0.909 | 58% | 0.577 | S | S | * | * | trans | -78.9 | 69.9 | 162.6 | -76.1 | -175.5 | 177.5 | -179.2 | 0 | 107.5 | S169 | S169-K171 PolarHBondContact O-N 3.26Š| ||
| 172 | V | 48.9 | Very low | 59.9 | Low | 69 Ų | 69 | 112.1 Ų | 112.1 | 42% | 0.418 | 60% | 0.6 | S | S | . | * | trans | -108.7 | 116.1 | 169.9 | -173 | 0 | 0 | 0 | 0 | 105.7 | P170 E176 A177 | P170-V172 HydrophobicContact CB-CG2 4.2Å; P170-V172 PolarHBondContact O-N 3.14Å; V172-E176 HydrophobicContact CG1-CB 3.86Å; V172-A177 HydrophobicContact CG1-CB 4.33Å | ||
| 173 | A | 51.8 | Low | 58.9 | Low | 71 Ų | 71 | 110 Ų | 110 | 59% | 0.587 | 60% | 0.596 | S | S | * | * | trans | -56.3 | 148.7 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108 | E175 E176 | A173-E175 PolarHBondContact O-N 2.96Å; A173-E176 PolarHBondContact O-N 2.9Å | ||
| 174 | P | 53.9 | Low | 58.4 | Low | 133 Ų | 133 | 113.9 Ų | 113.9 | 86% | 0.864 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | -12.9 | -169.1 | -26.2 | 33.4 | 0 | 0 | 0 | 116.6 | ||
| 175 | E | 51.2 | Low | 57.7 | Low | 187 Ų | 187 | 117.7 Ų | 117.7 | 87% | 0.874 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -13.8 | -173.3 | -67.8 | -173.8 | 147.8 | 0 | 0 | 115.6 | A173 | A173-E175 PolarHBondContact O-N 2.96Š|
| 176 | E | 50.8 | Low | 57 | Low | 169 Ų | 169 | 116 Ų | 116 | 79% | 0.79 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -120.2 | 15.1 | -176.3 | -75.4 | -174 | 164.3 | 0 | 0 | 114.9 | V172 A173 | V172-E176 HydrophobicContact CG1-CB 3.86Å; A173-E176 PolarHBondContact O-N 2.9Å |
| 177 | A | 50.9 | Low | 56.6 | Low | 61 Ų | 61 | 116.3 Ų | 116.3 | 50% | 0.504 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -70.9 | 136.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | V172 | V172-A177 HydrophobicContact CG1-CB 4.33Š|
| 178 | P | 55.5 | Low | 56.1 | Low | 88 Ų | 88 | 118.2 Ų | 118.2 | 57% | 0.571 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -58 | 148.9 | 172.9 | 25.2 | -32.7 | 0 | 0 | 0 | 109.8 | R180 | P178-R180 PolarHBondContact O-N 3.16Š|
| 179 | P | 54.1 | Low | 56 | Low | 119 Ų | 119 | 119.8 Ų | 119.8 | 77% | 0.773 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 118.5 | -175.5 | 24 | -32.6 | 0 | 0 | 0 | 109.1 | R181 | P179-R181 PolarHBondContact O-N 3.07Š|
| 180 | R | 57.8 | Low | 56.1 | Low | 191 Ų | 191 | 124.6 Ų | 124.6 | 72% | 0.721 | 65% | 0.649 | S | S | * | * | trans | -53.6 | 111.8 | 172.4 | -70.2 | -176.2 | -178.4 | 179.1 | 3.8 | 108 | P178 I182 D201 | P178-R180 PolarHBondContact O-N 3.16Å; R180-I182 PolarHBondContact O-N 3.19Å; R180-I182 VanDerWaalsContact O-N 3.1Å; R180-D201 IonicContact NH1-OD2 3.54Å | ||
| 181 | R | 55.8 | Low | 56.5 | Low | 199 Ų | 199 | 127.7 Ų | 127.7 | 75% | 0.751 | 66% | 0.659 | S | S | * | * | trans | -78.4 | 97.1 | 177.9 | -88.6 | -174.9 | 174.3 | -178 | -0.8 | 108.3 | P179 L183 | P179-R181 PolarHBondContact O-N 3.07Å; R181-L183 PolarHBondContact O-N 3.28Å | ||
| 182 | I | 58.8 | Low | 57 | Low | 105 Ų | 105 | 119.2 Ų | 119.2 | 54% | 0.538 | 63% | 0.631 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.6 | 109 | 171.4 | -57.6 | 172.1 | 0 | 0 | 0 | 107.5 | R180 I184 A199 | R180-I182 PolarHBondContact O-N 3.19Å; R180-I182 VanDerWaalsContact O-N 3.1Å; I182-I184 HydrophobicContact CG2-CG1 3.99Å; I182-A199 HydrophobicContact CG2-CB 3.72Å |
| 183 | L | 59.1 | Low | 57.5 | Low | 98 Ų | 98 | 121.7 Ų | 121.7 | 51% | 0.513 | 65% | 0.651 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.8 | 119.8 | 165.9 | -91.5 | 103.3 | 0 | 0 | 0 | 108.7 | R181 L200 L202 | R181-L183 PolarHBondContact O-N 3.28Å; L183-L200 PolarHBondContact N-O 3.1Å; L183-L200 PolarHBondContact O-N 3.36Å; L183-L200 VanDerWaalsContact O-N 3.08Å; L183-L202 HydrophobicContact CD1-CD1 3.65Å |
| 184 | I | 61 | Low | 57.7 | Low | 116 Ų | 116 | 128 Ų | 128 | 60% | 0.595 | 66% | 0.66 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.7 | 114 | 172.6 | -54.4 | 176.9 | 0 | 0 | 0 | 107.3 | I182 N197 F198 | I182-I184 HydrophobicContact CG2-CG1 3.99Å; I184-N197 HydrophobicContact CG2-CB 3.76Å; I184-F198 WeakPolarHBondContact CA-O 3.39Å |
| 185 | Y | 60.5 | Low | 58 | Low | 110 Ų | 110 | 125.1 Ų | 125.1 | 43% | 0.431 | 64% | 0.64 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.2 | 127.3 | 169.3 | 55.7 | -87.8 | 0 | 0 | 0 | 109 | V187 F198 L200 | Y185-V187 HydrophobicContact CD2-CG2 3.87Å; Y185-V187 HydrophobicContact CE2-CG2 4.03Å; Y185-F198 HydrophobicContact CD2-CB 4.43Å; Y185-F198 HydrophobicContact CE1-CB 4.24Å; Y185-F198 HydrophobicContact CE2-CB 3.81Å; Y185-F198 HydrophobicContact CE2-CD2 4.15Å; Y185-F198 HydrophobicContact CE2-CG 4.28Å; Y185-F198 PolarHBondContact N-O 3.25Å; Y185-F198 PolarHBondContact O-N 3.06Å; Y185-L200 HydrophobicContact CE1-CB 4.28Å; Y185-L200 HydrophobicContact CE1-CD1 4.1Å |
| 186 | G | 59.8 | Low | 58.6 | Low | 45 Ų | 45 | 122 Ų | 122 | 46% | 0.464 | 63% | 0.625 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.9 | 116.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 187 | V | 63 | Low | 59.2 | Low | 72 Ų | 72 | 119.1 Ų | 119.1 | 44% | 0.436 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.9 | 118.4 | 168.4 | -175.9 | 0 | 0 | 0 | 0 | 106.9 | Y185 Q196 F198 | Y185-V187 HydrophobicContact CD2-CG2 3.87Å; Y185-V187 HydrophobicContact CE2-CG2 4.03Å; V187-Q196 PolarHBondContact N-O 3.23Å; V187-Q196 PolarHBondContact O-N 3.43Å; V187-F198 HydrophobicContact CB-CE2 4.34Å; V187-F198 HydrophobicContact CG2-CD2 4.04Å; V187-F198 HydrophobicContact CG2-CE2 4.14Å |
| 188 | Q | 61.6 | Low | 59.8 | Low | 123 Ų | 123 | 120.4 Ų | 120.4 | 58% | 0.575 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.9 | 119.1 | 176.2 | -171.3 | 153.3 | 7.9 | 0 | 0 | 108.6 | V195 | Q188-V195 HydrophobicContact CB-CG2 4.45Å; Q188-V195 HydrophobicContact CG-CG2 4.37Å |
| 189 | E | 59.7 | Low | 59.9 | Low | 143 Ų | 143 | 119.8 Ų | 119.8 | 67% | 0.668 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 140.1 | 176.1 | -76.8 | -178.6 | 160.8 | 0 | 0 | 110.4 | N191 G192 | E189-N191 PolarHBondContact O-N 3.24Å; E189-G192 PolarHBondContact O-N 2.83Å |
| 190 | E | 60.2 | Low | 60 | Low | 200 Ų | 200 | 118 Ų | 118 | 94% | 0.935 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -8.1 | -169.1 | -108.2 | -178.5 | 163.9 | 0 | 0 | 115.8 | ||
| 191 | N | 62.1 | Low | 60 | Low | 173 Ų | 173 | 112.6 Ų | 112.6 | 93% | 0.925 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.9 | 27.6 | 176.5 | -88.6 | -35.5 | 0 | 0 | 0 | 114.7 | E189 | E189-N191 PolarHBondContact O-N 3.24Š|
| 192 | G | 59.8 | Low | 60 | Low | 31 Ų | 31 | 107.6 Ų | 107.6 | 32% | 0.32 | 57% | 0.569 | S | S | . | * | trans | -137.3 | 144.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | E189 R194 | E189-G192 PolarHBondContact O-N 2.83Å; G192-R194 PolarHBondContact O-N 3.1Å | ||
| 193 | S | 59.8 | Low | 60 | Low | 121 Ų | 121 | 108.3 Ų | 108.3 | 85% | 0.846 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -75.5 | 7.3 | 174 | 56 | 0 | 0 | 0 | 0 | 114.3 | ||
| 194 | R | 56.5 | Low | 60.1 | Low | 205 Ų | 205 | 107.7 Ų | 107.7 | 77% | 0.774 | 58% | 0.58 | S | S | * | * | trans | -97.3 | 112.2 | 179.6 | -77.9 | 176.7 | 78.6 | 169.6 | 2.7 | 110.3 | G192 | G192-R194 PolarHBondContact O-N 3.1Š| ||
| 195 | V | 61.2 | Low | 60 | Low | 71 Ų | 71 | 107.9 Ų | 107.9 | 43% | 0.43 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.6 | 121.8 | 168.8 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | Q188 | Q188-V195 HydrophobicContact CB-CG2 4.45Å; Q188-V195 HydrophobicContact CG-CG2 4.37Å |
| 196 | Q | 63.5 | Low | 60 | Low | 121 Ų | 121 | 106.1 Ų | 106.1 | 57% | 0.565 | 59% | 0.591 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.9 | 116.1 | 173.9 | -137.6 | 170.7 | 33 | 0 | 0 | 108.8 | V187 F198 | V187-Q196 PolarHBondContact N-O 3.23Å; V187-Q196 PolarHBondContact O-N 3.43Å; Q196-F198 HydrophobicContact CB-CE2 3.95Å; Q196-F198 HydrophobicContact CB-CZ 4.38Å; Q196-F198 HydrophobicContact CG-CE2 4.36Å; Q196-F198 HydrophobicContact CG-CZ 4.33Å |
| 197 | N | 62.9 | Low | 59.9 | Low | 110 Ų | 110 | 110 Ų | 110 | 59% | 0.588 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.8 | 118.4 | -177.8 | -70.3 | -28.2 | 0 | 0 | 0 | 109.5 | I184 | I184-N197 HydrophobicContact CG2-CB 3.76Å |
| 198 | F | 62.4 | Low | 60.1 | Low | 87 Ų | 87 | 109.5 Ų | 109.5 | 38% | 0.382 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.2 | 129.7 | 172.8 | -64.7 | -86.8 | 0 | 0 | 0 | 109.4 | I184 Y185 V187 Q196 | I184-F198 WeakPolarHBondContact CA-O 3.39Å; Y185-F198 HydrophobicContact CD2-CB 4.43Å; Y185-F198 HydrophobicContact CE1-CB 4.24Å; Y185-F198 HydrophobicContact CE2-CB 3.81Å; Y185-F198 HydrophobicContact CE2-CD2 4.15Å; Y185-F198 HydrophobicContact CE2-CG 4.28Å; Y185-F198 PolarHBondContact N-O 3.25Å; Y185-F198 PolarHBondContact O-N 3.06Å; V187-F198 HydrophobicContact CB-CE2 4.34Å; V187-F198 HydrophobicContact CG2-CD2 4.04Å; V187-F198 HydrophobicContact CG2-CE2 4.14Å; Q196-F198 HydrophobicContact CB-CE2 3.95Å; Q196-F198 HydrophobicContact CB-CZ 4.38Å; Q196-F198 HydrophobicContact CG-CE2 4.36Å; Q196-F198 HydrophobicContact CG-CZ 4.33Å |
| 199 | A | 58.7 | Low | 60.5 | Low | 75 Ų | 75 | 106.8 Ų | 106.8 | 62% | 0.62 | 58% | 0.583 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -99.2 | 112.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | I182 | I182-A199 HydrophobicContact CG2-CB 3.72Å |
| 200 | L | 56.2 | Low | 61 | Low | 83 Ų | 83 | 107.5 Ų | 107.5 | 44% | 0.435 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.7 | 118.6 | 173.7 | -138.8 | 89 | 0 | 0 | 0 | 109.3 | L183 Y185 L202 | L183-L200 PolarHBondContact N-O 3.1Å; L183-L200 PolarHBondContact O-N 3.36Å; L183-L200 VanDerWaalsContact O-N 3.08Å; Y185-L200 HydrophobicContact CE1-CB 4.28Å; Y185-L200 HydrophobicContact CE1-CD1 4.1Å; L200-L202 HydrophobicContact CD2-CD2 4.03Å; L200-L202 PolarHBondContact O-N 3.13Å |
| 201 | D | 56.9 | Low | 61.7 | Low | 77 Ų | 77 | 103.3 Ų | 103.3 | 41% | 0.412 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 99.7 | 173.7 | -161.5 | -0.8 | 0 | 0 | 0 | 109 | R180 T203 | R180-D201 IonicContact NH1-OD2 3.54Å; D201-T203 PolarHBondContact O-N 3.17Å; D201-T203 VanDerWaalsContact O-N 3.15Å |
| 202 | L | 56.5 | Low | 62.5 | Low | 94 Ų | 94 | 97.8 Ų | 97.8 | 49% | 0.492 | 53% | 0.534 | S | S | . | . | trans | -77.7 | 97.8 | 178 | -71 | 171 | 0 | 0 | 0 | 109.4 | L183 L200 | L183-L202 HydrophobicContact CD1-CD1 3.65Å; L200-L202 HydrophobicContact CD2-CD2 4.03Å; L200-L202 PolarHBondContact O-N 3.13Å | ||
| 203 | T | 58.2 | Low | 63.4 | Low | 120 Ų | 120 | 99.9 Ų | 99.9 | 74% | 0.736 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -66 | 127 | 169.7 | -56 | 0 | 0 | 0 | 0 | 108.7 | D201 | D201-T203 PolarHBondContact O-N 3.17Å; D201-T203 VanDerWaalsContact O-N 3.15Å |
| 204 | P | 61.3 | Low | 64.4 | Low | 85 Ų | 85 | 99 Ų | 99 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 141.7 | 176.4 | 23.3 | -31.5 | 0 | 0 | 0 | 109.7 | ||
| 205 | P | 58.7 | Low | 65.6 | Low | 119 Ų | 119 | 90.1 Ų | 90.1 | 77% | 0.773 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 134 | 179.5 | 24.3 | -32.5 | 0 | 0 | 0 | 109.4 | ||
| 206 | P | 60.3 | Low | 66.7 | Low | 74 Ų | 74 | 90.6 Ų | 90.6 | 48% | 0.481 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 141.6 | -176.5 | 28.6 | -35.1 | 0 | 0 | 0 | 110.2 | V167 V208 | V167-P206 HydrophobicContact CG1-CB 3.54Å; V167-P206 HydrophobicContact CG1-CG 3.83Å; P206-V208 PolarHBondContact O-N 2.83Å; P206-V208 VanDerWaalsContact O-N 3.11Å |
| 207 | E | 59.4 | Low | 67.5 | Low | 126 Ų | 126 | 86 Ų | 86 | 59% | 0.589 | 48% | 0.483 | S | S | * | . | trans | -67.5 | 109.5 | 175.4 | -164.6 | -172.7 | -174.8 | 0 | 0 | 109 | K168 | K168-E207 PolarHBondContact N-O 3.38Š| ||
| 208 | V | 66.8 | Low | 68.3 | Low | 61 Ų | 61 | 87.5 Ų | 87.5 | 37% | 0.37 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 116.3 | 177.6 | -177 | 0 | 0 | 0 | 0 | 108.4 | P165 P206 | P165-V208 HydrophobicContact CB-CG1 3.49Å; P165-V208 VanDerWaalsContact CB-CG1 3.49Å; P206-V208 PolarHBondContact O-N 2.83Å; P206-V208 VanDerWaalsContact O-N 3.11Å |
| 209 | I | 68.4 | Low | 68.8 | Low | 67 Ų | 67 | 84.7 Ų | 84.7 | 34% | 0.344 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 126.9 | 170.5 | -71.1 | 162.5 | 0 | 0 | 0 | 108.4 | V166 K168 | V166-I209 PolarHBondContact N-O 2.8Å; V166-I209 PolarHBondContact O-N 3.27Å; K168-I209 HydrophobicContact CD-CD1 3.51Å; K168-I209 HydrophobicContact CG-CD1 4.1Å |
| 210 | Y | 70.9 | Confident | 69.7 | Low | 158 Ų | 158 | 82.6 Ų | 82.6 | 62% | 0.62 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 123.8 | 175.3 | -66.3 | -81.5 | 0 | 0 | 0 | 109.5 | T163 P165 | T163-Y210 HydrophobicContact CG2-CD1 3.72Å; T163-Y210 HydrophobicContact CG2-CG 4.09Å; P165-Y210 HydrophobicContact CB-CD1 4.38Å; P165-Y210 HydrophobicContact CB-CE1 4.21Å |
| 211 | K | 76.1 | Confident | 71 | Confident | 112 Ų | 112 | 78.9 Ų | 78.9 | 49% | 0.487 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 127.3 | 173 | -169.5 | -177.1 | 174.9 | -159.4 | 0 | 108.8 | T164 V166 E213 | T164-K211 PolarHBondContact N-O 3.38Å; T164-K211 PolarHBondContact O-N 2.87Å; T164-K211 PolarHBondContact OG1-O 3.21Å; V166-K211 HydrophobicContact CG2-CB 3.77Å; V166-K211 HydrophobicContact CG2-CD 4.29Å; K211-E213 HydrophobicContact CD-CG 4.49Å; K211-E213 HydrophobicContact CG-CG 4.46Å; K211-E213 IonicContact NZ-OE1 3.59Å |
| 212 | S | 77.4 | Confident | 71.9 | Confident | 57 Ų | 57 | 75.2 Ų | 75.2 | 40% | 0.399 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 119.2 | 174.1 | -64.1 | 0 | 0 | 0 | 0 | 109.3 | D137 | D137-S212 PolarHBondContact OD2-OG 2.97Å |
| 213 | E | 78.7 | Confident | 72.8 | Confident | 75 Ų | 75 | 71.3 Ų | 71.3 | 35% | 0.35 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 144 | 178.7 | -67.2 | -171.1 | 151.4 | 0 | 0 | 111.1 | K162 T164 K211 G215 | K162-E213 PolarHBondContact N-O 2.88Å; K162-E213 PolarHBondContact O-N 3.3Å; T164-E213 PolarHBondContact OG1-OE2 2.7Å; K211-E213 HydrophobicContact CD-CG 4.49Å; K211-E213 HydrophobicContact CG-CG 4.46Å; K211-E213 IonicContact NZ-OE1 3.59Å; E213-G215 PolarHBondContact O-N 3.06Å |
| 214 | P | 81.4 | Confident | 74.1 | Confident | 103 Ų | 103 | 65.6 Ų | 65.6 | 67% | 0.669 | 37% | 0.37 | S | S | * | . | trans | -62.8 | 126.7 | 175.1 | 27.2 | -33.9 | 0 | 0 | 0 | 109.5 | Y159 | Y159-P214 HydrophobicContact CE2-CB 4.23Å; Y159-P214 VanDerWaalsContact OH-CB 3.29Å; Y159-P214 WeakPolarHBondContact OH-CB 3.48Å | ||
| 215 | G | 82.3 | Confident | 75.2 | Confident | 17 Ų | 17 | 61.9 Ų | 61.9 | 18% | 0.175 | 35% | 0.345 | C | S | . | . | trans | -134.7 | 164 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R160 E213 | R160-G215 CarbonylContact C-O 3.59Å; R160-G215 PolarHBondContact N-O 2.99Å; R160-G215 CarbonylContact O-C 3.57Å; R160-G215 WeakPolarHBondContact O-CA 3.45Å; R160-G215 PolarHBondContact O-N 3.35Å; E213-G215 PolarHBondContact O-N 3.06Å | ||
| 216 | T | 84.4 | Confident | 76.3 | Confident | 82 Ų | 82 | 56.8 Ų | 56.8 | 50% | 0.503 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 149.1 | 168.8 | 54.1 | 0 | 0 | 0 | 0 | 108.8 | Q158 | Q158-T216 CarbonylContact O-C 3.57Å; Q158-T216 WeakPolarHBondContact O-CA 3.44Å |
| 217 | S | 80.1 | Confident | 77.5 | Confident | 24 Ų | 24 | 56.7 Ų | 56.7 | 17% | 0.168 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 144.6 | 169.7 | 59.2 | 0 | 0 | 0 | 0 | 109.6 | Q158 G219 | Q158-S217 WeakPolarHBondContact CG-OG 3.49Å; Q158-S217 PolarHBondContact N-O 3.06Å; Q158-S217 PolarHBondContact NE2-OG 3.38Å; Q158-S217 VanDerWaalsContact NE2-OG 3.14Å; Q158-S217 PolarHBondContact O-N 3.16Å; S217-G219 PolarHBondContact O-N 3.11Å |
| 218 | D | 79.4 | Confident | 79 | Confident | 142 Ų | 142 | 54.9 Ų | 54.9 | 76% | 0.759 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 127.3 | 178.1 | -64.3 | -34.5 | 0 | 0 | 0 | 109.6 | ||
| 219 | G | 73.3 | Confident | 80 | Confident | 28 Ų | 28 | 52 Ų | 52 | 29% | 0.289 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 145.9 | 143.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F156 K157 Q158 S217 N221 | F156-G219 CarbonylContact C-O 3.57Å; F156-G219 CarbonylContact O-C 3.23Å; F156-G219 PolarHBondContact O-N 3.45Å; K157-G219 CarbonylContact C-O 3.58Å; K157-G219 WeakPolarHBondContact CA-O 3.38Å; K157-G219 PolarHBondContact N-O 3.28Å; K157-G219 VanDerWaalsContact N-O 3.12Å; Q158-G219 PolarHBondContact N-O 3.25Å; S217-G219 PolarHBondContact O-N 3.11Å; G219-N221 PolarHBondContact O-N 2.89Å |
| 220 | M | 78.1 | Confident | 80.7 | Confident | 31 Ų | 31 | 49.8 Ų | 49.8 | 15% | 0.153 | 27% | 0.269 | C | S | . | . | trans | -67.1 | 124.5 | 178.8 | -178 | 169.4 | 63.5 | 0 | 0 | 110.6 | I65 L66 T155 V222 I225 | I65-M220 HydrophobicContact CB-CE 3.9Å; I65-M220 HydrophobicContact CG2-CE 3.36Å; L66-M220 HydrophobicContact CB-SD 4.01Å; L66-M220 HydrophobicContact CD1-SD 4.19Å; T155-M220 WeakPolarHBondContact O-CB 3.14Å; T155-M220 WeakPolarHBondContact O-CG 3.42Å; M220-V222 VanDerWaalsContact C-N 3.26Å; M220-V222 HydrophobicContact CB-CG2 4.29Å; M220-V222 HydrophobicContact CE-CG1 4.46Å; M220-V222 HydrophobicContact CE-CG2 3.53Å; M220-V222 HydrophobicContact CG-CG2 4Å; M220-V222 WeakPolarHBondContact O-CG2 3.43Å; M220-V222 PolarHBondContact O-N 3.42Å; M220-V222 HydrophobicContact SD-CG2 4.48Å; M220-I225 HydrophobicContact CG-CD1 3.58Å; M220-I225 HydrophobicContact SD-CD1 3.87Å | ||
| 221 | N | 83.3 | Confident | 81.4 | Confident | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | trans | -75.4 | 79.5 | 169.2 | 178.1 | 9.7 | 0 | 0 | 0 | 110.1 | N145 A154 K157 Q158 G219 L223 G224 I225 | N145-N221 PolarHBondContact O-ND2 3.23Å; N145-N221 PolarHBondContact O-OD1 2.92Å; A154-N221 HydrophobicContact CB-CB 4.14Å; A154-N221 PolarHBondContact O-N 3Å; K157-N221 WeakPolarHBondContact O-CB 3.45Å; Q158-N221 HydrophobicContact CB-CB 3.81Å; G219-N221 PolarHBondContact O-N 2.89Å; N221-L223 VanDerWaalsContact C-N 3.28Å; N221-L223 PolarHBondContact O-N 2.8Å; N221-G224 PolarHBondContact O-N 3.34Å; N221-G224 PolarHBondContact OD1-N 2.78Å; N221-G224 VanDerWaalsContact OD1-N 3.08Å; N221-I225 WeakPolarHBondContact O-CG1 3.24Å; N221-I225 PolarHBondContact O-N 3.33Å | ||
| 222 | V | 75.5 | Confident | 82.1 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.8 | -33.8 | -176.8 | -160.5 | 0 | 0 | 0 | 0 | 112.1 | M220 G224 I225 V226 I491 T494 | M220-V222 VanDerWaalsContact C-N 3.26Å; M220-V222 HydrophobicContact CB-CG2 4.29Å; M220-V222 HydrophobicContact CE-CG1 4.46Å; M220-V222 HydrophobicContact CE-CG2 3.53Å; M220-V222 HydrophobicContact CG-CG2 4Å; M220-V222 WeakPolarHBondContact O-CG2 3.43Å; M220-V222 PolarHBondContact O-N 3.42Å; M220-V222 HydrophobicContact SD-CG2 4.48Å; V222-G224 PolarHBondContact O-N 3.32Å; V222-I225 PolarHBondContact O-N 3.45Å; V222-V226 HydrophobicContact CG1-CG2 4.07Å; V222-V226 WeakPolarHBondContact O-CB 3.34Å; V222-V226 WeakPolarHBondContact O-CG2 3.08Å; V222-V226 PolarHBondContact O-N 2.62Å; V222-I491 HydrophobicContact CB-CG2 3.87Å; V222-I491 HydrophobicContact CG1-CB 4.09Å; V222-I491 HydrophobicContact CG1-CD1 4.48Å; V222-I491 HydrophobicContact CG1-CG1 4.03Å; V222-I491 HydrophobicContact CG1-CG2 3.31Å; V222-I491 HydrophobicContact CG2-CG2 4.4Å; V222-T494 WeakPolarHBondContact CG2-OG1 3.45Å |
| 223 | L | 75.2 | Confident | 82.5 | Confident | 11 Ų | 11 | 40.1 Ų | 40.1 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.6 | -48.8 | 178.5 | 175.4 | 68.2 | 0 | 0 | 0 | 111.6 | L142 N145 M146 N221 I225 V226 F227 I469 T470 | L142-L223 HydrophobicContact CD1-CD2 3.27Å; L142-L223 HydrophobicContact CG-CD2 4.48Å; N145-L223 HydrophobicContact CB-CD2 4.34Å; M146-L223 HydrophobicContact CB-CD2 4.38Å; N221-L223 VanDerWaalsContact C-N 3.28Å; N221-L223 PolarHBondContact O-N 2.8Å; L223-I225 VanDerWaalsContact C-N 3.34Å; L223-I225 PolarHBondContact O-N 3.47Å; L223-V226 PolarHBondContact O-N 3.28Å; L223-F227 WeakPolarHBondContact O-CB 3.1Å; L223-F227 PolarHBondContact O-N 3.01Å; L223-I469 HydrophobicContact CD1-CG2 4.09Å; L223-T470 HydrophobicContact CB-CG2 4.11Å; L223-T470 HydrophobicContact CD1-CG2 3.7Å; L223-T470 HydrophobicContact CG-CG2 4.4Å |
| 224 | G | 84.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.7 | -40.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | N145 N221 V222 F227 F228 | N145-G224 WeakPolarHBondContact O-CA 3.31Å; N145-G224 PolarHBondContact O-N 3.44Å; N221-G224 PolarHBondContact O-N 3.34Å; N221-G224 PolarHBondContact OD1-N 2.78Å; N221-G224 VanDerWaalsContact OD1-N 3.08Å; V222-G224 PolarHBondContact O-N 3.32Å; G224-F227 PolarHBondContact O-N 3.44Å; G224-F228 VanDerWaalsContact O-CB 3.3Å; G224-F228 WeakPolarHBondContact O-CB 3.25Å; G224-F228 PolarHBondContact O-N 3.17Å |
| 225 | I | 86 | Confident | 83 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 177.4 | -65.1 | 166.5 | 0 | 0 | 0 | 111 | L66 V69 V70 A154 T155 M220 N221 V222 L223 S229 | L66-I225 HydrophobicContact CD1-CD1 3.65Å; L66-I225 HydrophobicContact CD1-CG1 4.5Å; L66-I225 HydrophobicContact CD1-CG2 4.16Å; V69-I225 HydrophobicContact CG1-CG2 4.26Å; V70-I225 HydrophobicContact CG2-CG2 3.54Å; A154-I225 HydrophobicContact CB-CG1 4.48Å; T155-I225 HydrophobicContact CG2-CD1 4.41Å; M220-I225 HydrophobicContact CG-CD1 3.58Å; M220-I225 HydrophobicContact SD-CD1 3.87Å; N221-I225 WeakPolarHBondContact O-CG1 3.24Å; N221-I225 PolarHBondContact O-N 3.33Å; V222-I225 PolarHBondContact O-N 3.45Å; L223-I225 VanDerWaalsContact C-N 3.34Å; L223-I225 PolarHBondContact O-N 3.47Å; I225-S229 WeakPolarHBondContact O-CB 3.41Å; I225-S229 PolarHBondContact O-N 3.22Å; I225-S229 PolarHBondContact O-OG 2.99Å |
| 226 | V | 81.7 | Confident | 83.3 | Confident | 12 Ų | 12 | 38.6 Ų | 38.6 | 7% | 0.073 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.3 | -48.7 | 177.7 | 165.9 | 0 | 0 | 0 | 0 | 110.9 | V69 L73 V222 L223 F228 S229 A230 A473 | V69-V226 HydrophobicContact CG1-CG2 3.56Å; L73-V226 HydrophobicContact CD1-CB 4.1Å; L73-V226 HydrophobicContact CD1-CG1 3.82Å; L73-V226 HydrophobicContact CD1-CG2 3.97Å; V222-V226 HydrophobicContact CG1-CG2 4.07Å; V222-V226 WeakPolarHBondContact O-CB 3.34Å; V222-V226 WeakPolarHBondContact O-CG2 3.08Å; V222-V226 PolarHBondContact O-N 2.62Å; L223-V226 PolarHBondContact O-N 3.28Å; V226-F228 PolarHBondContact O-N 2.8Å; V226-S229 PolarHBondContact O-N 3.49Å; V226-A230 VanDerWaalsContact O-CB 3.25Å; V226-A230 WeakPolarHBondContact O-CB 3.29Å; V226-A230 PolarHBondContact O-N 2.63Å; V226-A473 HydrophobicContact CG1-CB 3.42Å; V226-A473 VanDerWaalsContact CG1-CB 3.42Å |
| 227 | F | 84.6 | Confident | 83.2 | Confident | 71 Ų | 71 | 35.2 Ų | 35.2 | 31% | 0.311 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.6 | -44.7 | -179.3 | -172 | -91 | 0 | 0 | 0 | 111.9 | M146 F147 L223 G224 T231 | M146-F227 HydrophobicContact CE-CE2 4.13Å; M146-F227 HydrophobicContact CE-CZ 4.29Å; M146-F227 HydrophobicContact CG-CB 3.97Å; M146-F227 HydrophobicContact CG-CD1 4.03Å; M146-F227 HydrophobicContact CG-CD2 3.51Å; M146-F227 HydrophobicContact CG-CE1 4.45Å; M146-F227 HydrophobicContact CG-CE2 3.97Å; M146-F227 HydrophobicContact CG-CG 3.54Å; M146-F227 HydrophobicContact CG-CZ 4.42Å; M146-F227 HydrophobicContact SD-CD2 3.68Å; M146-F227 HydrophobicContact SD-CE2 3.7Å; M146-F227 HydrophobicContact SD-CG 4.34Å; M146-F227 HydrophobicContact SD-CZ 4.38Å; F147-F227 HydrophobicContact CD1-CE1 4.16Å; F147-F227 HydrophobicContact CE1-CD1 4.17Å; F147-F227 AromaticContact CE1-CE1 3.41Å; F147-F227 HydrophobicContact CE1-CE1 3.41Å; F147-F227 VanDerWaalsContact CE1-CE1 3.41Å; F147-F227 HydrophobicContact CE1-CZ 4.04Å; F147-F227 AromaticContact CZ-CE1 3.75Å; F147-F227 HydrophobicContact CZ-CE1 3.75Å; F147-F227 AromaticContact CZ-CZ 3.9Å; F147-F227 HydrophobicContact CZ-CZ 3.9Å; L223-F227 WeakPolarHBondContact O-CB 3.1Å; L223-F227 PolarHBondContact O-N 3.01Å; G224-F227 PolarHBondContact O-N 3.44Å; F227-T231 WeakPolarHBondContact O-CB 3.45Å; F227-T231 PolarHBondContact O-N 3.37Å; F227-T231 PolarHBondContact O-OG1 2.88Å |
| 228 | F | 90.9 | Very high | 83.4 | Confident | 88 Ų | 88 | 41.7 Ų | 41.7 | 39% | 0.386 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.3 | -51 | 174.7 | 173.6 | -100.1 | 0 | 0 | 0 | 112 | L151 G224 V226 A230 T231 M232 | L151-F228 HydrophobicContact CD1-CD1 3.92Å; L151-F228 HydrophobicContact CD1-CD2 3.76Å; L151-F228 HydrophobicContact CD1-CE1 3.67Å; L151-F228 HydrophobicContact CD1-CE2 3.5Å; L151-F228 HydrophobicContact CD1-CG 3.96Å; L151-F228 HydrophobicContact CD1-CZ 3.45Å; L151-F228 VanDerWaalsContact CD1-CZ 3.45Å; L151-F228 HydrophobicContact CD2-CB 3.83Å; L151-F228 HydrophobicContact CD2-CD1 3.91Å; L151-F228 HydrophobicContact CD2-CD2 3.94Å; L151-F228 HydrophobicContact CD2-CG 3.59Å; L151-F228 HydrophobicContact CG-CD2 4.46Å; L151-F228 HydrophobicContact CG-CG 4.45Å; G224-F228 VanDerWaalsContact O-CB 3.3Å; G224-F228 WeakPolarHBondContact O-CB 3.25Å; G224-F228 PolarHBondContact O-N 3.17Å; V226-F228 PolarHBondContact O-N 2.8Å; F228-A230 VanDerWaalsContact C-N 3.28Å; F228-A230 PolarHBondContact O-N 3.27Å; F228-T231 PolarHBondContact O-N 2.95Å; F228-M232 WeakPolarHBondContact O-CB 3.3Å; F228-M232 PolarHBondContact O-N 2.97Å |
| 229 | S | 87.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62 | -37.8 | -178.7 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | M74 I225 V226 G233 | M74-S229 WeakPolarHBondContact CG-O 3.37Å; I225-S229 WeakPolarHBondContact O-CB 3.41Å; I225-S229 PolarHBondContact O-N 3.22Å; I225-S229 PolarHBondContact O-OG 2.99Å; V226-S229 PolarHBondContact O-N 3.49Å; S229-G233 PolarHBondContact O-N 3.42Å |
| 230 | A | 82.6 | Confident | 84.2 | Confident | 22 Ų | 22 | 39.4 Ų | 39.4 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.3 | -47.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L77 V226 F228 M232 G233 I234 | L77-A230 VanDerWaalsContact CD1-CA 3.44Å; L77-A230 HydrophobicContact CD1-CB 3.53Å; V226-A230 VanDerWaalsContact O-CB 3.25Å; V226-A230 WeakPolarHBondContact O-CB 3.29Å; V226-A230 PolarHBondContact O-N 2.63Å; F228-A230 VanDerWaalsContact C-N 3.28Å; F228-A230 PolarHBondContact O-N 3.27Å; A230-M232 VanDerWaalsContact C-N 3.33Å; A230-M232 PolarHBondContact O-N 3.04Å; A230-G233 PolarHBondContact O-N 3.23Å; A230-I234 WeakPolarHBondContact O-CG1 3.46Å; A230-I234 PolarHBondContact O-N 3.45Å |
| 231 | T | 86.7 | Confident | 84.6 | Confident | 63 Ų | 63 | 46.5 Ų | 46.5 | 39% | 0.387 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60 | -45.8 | 176.4 | -56.8 | 0 | 0 | 0 | 0 | 110.7 | F227 F228 I234 M235 | F227-T231 WeakPolarHBondContact O-CB 3.45Å; F227-T231 PolarHBondContact O-N 3.37Å; F227-T231 PolarHBondContact O-OG1 2.88Å; F228-T231 PolarHBondContact O-N 2.95Å; T231-I234 PolarHBondContact O-N 3.46Å; T231-M235 WeakPolarHBondContact O-CG 3.34Å; T231-M235 PolarHBondContact O-N 3.03Å |
| 232 | M | 89.9 | Confident | 85 | Confident | 61 Ų | 61 | 51 Ų | 51 | 30% | 0.3 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.5 | -43.5 | 178 | -169.8 | 63.5 | 179.1 | 0 | 0 | 112 | M74 F228 A230 I234 M235 L236 L246 | M74-M232 HydrophobicContact CE-CB 4.35Å; M74-M232 HydrophobicContact CE-CG 3.62Å; M74-M232 HydrophobicContact SD-CG 4.46Å; F228-M232 WeakPolarHBondContact O-CB 3.3Å; F228-M232 PolarHBondContact O-N 2.97Å; A230-M232 VanDerWaalsContact C-N 3.33Å; A230-M232 PolarHBondContact O-N 3.04Å; M232-I234 PolarHBondContact O-N 3.46Å; M232-M235 PolarHBondContact O-N 3.06Å; M232-L236 HydrophobicContact CE-CD1 4.28Å; M232-L236 HydrophobicContact CE-CD2 4.07Å; M232-L236 HydrophobicContact CE-CG 4.16Å; M232-L236 HydrophobicContact CG-CD1 4.12Å; M232-L236 HydrophobicContact CG-CG 4.41Å; M232-L236 WeakPolarHBondContact O-CB 3.42Å; M232-L236 VanDerWaalsContact O-CG 3.29Å; M232-L236 WeakPolarHBondContact O-CG 3.37Å; M232-L236 PolarHBondContact O-N 3.07Å; M232-L246 HydrophobicContact CE-CD2 3.84Å |
| 233 | G | 86.2 | Confident | 85.6 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.5 | -46.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M74 A78 S229 A230 M235 L236 G237 | M74-G233 WeakPolarHBondContact O-CA 3.3Å; A78-G233 WeakPolarHBondContact CA-O 3.25Å; A78-G233 VanDerWaalsContact CB-O 3.26Å; A78-G233 WeakPolarHBondContact CB-O 3.48Å; A78-G233 PolarHBondContact N-O 3.11Å; S229-G233 PolarHBondContact O-N 3.42Å; A230-G233 PolarHBondContact O-N 3.23Å; G233-M235 PolarHBondContact O-N 3.44Å; G233-L236 PolarHBondContact O-N 3.46Å; G233-G237 PolarHBondContact O-N 3.02Å |
| 234 | I | 83.2 | Confident | 86.3 | Confident | 69 Ų | 69 | 52.6 Ų | 52.6 | 35% | 0.354 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.1 | -41.3 | 177.3 | -63 | 166.7 | 0 | 0 | 0 | 111.2 | L77 A230 T231 M232 G237 R238 | L77-I234 HydrophobicContact CB-CG1 4.16Å; L77-I234 HydrophobicContact CD1-CG1 4.49Å; A230-I234 WeakPolarHBondContact O-CG1 3.46Å; A230-I234 PolarHBondContact O-N 3.45Å; T231-I234 PolarHBondContact O-N 3.46Å; M232-I234 PolarHBondContact O-N 3.46Å; I234-G237 PolarHBondContact O-N 2.81Å; I234-R238 PolarHBondContact O-N 3.27Å; I234-R238 VanDerWaalsContact O-N 3.14Å |
| 235 | M | 88.1 | Confident | 86.8 | Confident | 89 Ų | 89 | 57 Ų | 57 | 44% | 0.438 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64 | -42.4 | 177 | -69.8 | -55.7 | 105.1 | 0 | 0 | 111.6 | T231 M232 G233 G237 R238 M239 | T231-M235 WeakPolarHBondContact O-CG 3.34Å; T231-M235 PolarHBondContact O-N 3.03Å; M232-M235 PolarHBondContact O-N 3.06Å; G233-M235 PolarHBondContact O-N 3.44Å; M235-G237 PolarHBondContact O-N 3.46Å; M235-R238 WeakPolarHBondContact O-CA 3.21Å; M235-R238 WeakPolarHBondContact O-CB 3.33Å; M235-R238 PolarHBondContact O-N 3.31Å; M235-M239 WeakPolarHBondContact O-CG 3.41Å; M235-M239 PolarHBondContact O-N 2.83Å |
| 236 | L | 88.3 | Confident | 87.1 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63 | -40.5 | 177 | -71.4 | 171.8 | 0 | 0 | 0 | 112.6 | M74 A78 M232 G233 R238 M239 L246 V247 | M74-L236 HydrophobicContact CE-CD1 3.66Å; A78-L236 HydrophobicContact CB-CB 4.07Å; M232-L236 HydrophobicContact CE-CD1 4.28Å; M232-L236 HydrophobicContact CE-CD2 4.07Å; M232-L236 HydrophobicContact CE-CG 4.16Å; M232-L236 HydrophobicContact CG-CD1 4.12Å; M232-L236 HydrophobicContact CG-CG 4.41Å; M232-L236 WeakPolarHBondContact O-CB 3.42Å; M232-L236 VanDerWaalsContact O-CG 3.29Å; M232-L236 WeakPolarHBondContact O-CG 3.37Å; M232-L236 PolarHBondContact O-N 3.07Å; G233-L236 PolarHBondContact O-N 3.46Å; L236-R238 VanDerWaalsContact C-N 3.25Å; L236-R238 PolarHBondContact O-N 3.06Å; L236-M239 HydrophobicContact CD2-SD 4.05Å; L236-M239 PolarHBondContact O-N 3.3Å; L236-L246 HydrophobicContact CD1-CB 4.36Å; L236-L246 HydrophobicContact CD1-CD2 3.78Å; L236-L246 HydrophobicContact CD1-CG 3.99Å; L236-L246 HydrophobicContact CD2-CB 4.18Å; L236-L246 HydrophobicContact CD2-CD2 3.82Å; L236-L246 HydrophobicContact CD2-CG 4.4Å; L236-L246 HydrophobicContact CG-CD2 4.4Å; L236-V247 HydrophobicContact CB-CG2 3.9Å; L236-V247 HydrophobicContact CD1-CG2 4.41Å |
| 237 | G | 82.8 | Confident | 87.4 | Confident | 11 Ų | 11 | 60.2 Ų | 60.2 | 11% | 0.113 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.1 | -34 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A78 G233 I234 M235 | A78-G237 WeakPolarHBondContact O-CA 3.38Å; G233-G237 PolarHBondContact O-N 3.02Å; I234-G237 PolarHBondContact O-N 2.81Å; M235-G237 PolarHBondContact O-N 3.46Å |
| 238 | R | 83.7 | Confident | 87.6 | Confident | 160 Ų | 160 | 59.5 Ų | 59.5 | 60% | 0.604 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -74.4 | -29.4 | 176 | -76.5 | -165.2 | 144.5 | 94.9 | 4.4 | 114.2 | A82 I234 M235 L236 G240 | A82-R238 HydrophobicContact CB-CG 3.74Å; I234-R238 PolarHBondContact O-N 3.27Å; I234-R238 VanDerWaalsContact O-N 3.14Å; M235-R238 WeakPolarHBondContact O-CA 3.21Å; M235-R238 WeakPolarHBondContact O-CB 3.33Å; M235-R238 PolarHBondContact O-N 3.31Å; L236-R238 VanDerWaalsContact C-N 3.25Å; L236-R238 PolarHBondContact O-N 3.06Å; R238-G240 PolarHBondContact O-N 3.27Å |
| 239 | M | 86.6 | Confident | 87.8 | Confident | 97 Ų | 97 | 61.2 Ų | 61.2 | 48% | 0.478 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.3 | -17.8 | 177.3 | -69.5 | 171.2 | 71 | 0 | 0 | 112.6 | M235 L236 E241 | M235-M239 WeakPolarHBondContact O-CG 3.41Å; M235-M239 PolarHBondContact O-N 2.83Å; L236-M239 HydrophobicContact CD2-SD 4.05Å; L236-M239 PolarHBondContact O-N 3.3Å; M239-E241 PolarHBondContact O-N 3.12Å |
| 240 | G | 83.2 | Confident | 87.8 | Confident | 25 Ų | 25 | 61.5 Ų | 61.5 | 26% | 0.258 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | 62.3 | -127.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R238 S242 G243 A244 | R238-G240 PolarHBondContact O-N 3.27Å; G240-S242 VanDerWaalsContact C-N 3.28Å; G240-S242 PolarHBondContact O-N 2.76Å; G240-G243 PolarHBondContact O-N 3Å; G240-A244 PolarHBondContact O-N 3.02Å |
| 241 | E | 86.6 | Confident | 87.9 | Confident | 179 Ų | 179 | 64.2 Ų | 64.2 | 84% | 0.836 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -58.3 | -36 | -176.9 | -63.1 | -171.3 | 163.6 | 0 | 0 | 113.5 | M239 G243 A244 P245 | M239-E241 PolarHBondContact O-N 3.12Å; E241-G243 PolarHBondContact O-N 2.83Å; E241-A244 WeakPolarHBondContact O-CB 3.38Å; E241-A244 PolarHBondContact O-N 3.46Å; E241-P245 WeakPolarHBondContact O-CD 3.35Å |
| 242 | S | 90.8 | Very high | 88 | Confident | 99 Ų | 99 | 64.9 Ų | 64.9 | 69% | 0.692 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -65.8 | -26.9 | 177.2 | -52.8 | 0 | 0 | 0 | 0 | 113 | G240 | G240-S242 VanDerWaalsContact C-N 3.28Å; G240-S242 PolarHBondContact O-N 2.76Å |
| 243 | G | 89.4 | Confident | 87.9 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -19.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G240 E241 P245 L246 V247 | G240-G243 PolarHBondContact O-N 3Å; E241-G243 PolarHBondContact O-N 2.83Å; G243-P245 VanDerWaalsContact C-CD 3.47Å; G243-L246 PolarHBondContact O-N 2.95Å; G243-L246 VanDerWaalsContact O-N 3.14Å; G243-V247 WeakPolarHBondContact O-CG2 3.47Å; G243-V247 PolarHBondContact O-N 3.21Å; G243-V247 VanDerWaalsContact O-N 3.12Å |
| 244 | A | 88.6 | Confident | 87.6 | Confident | 44 Ų | 44 | 65.8 Ų | 65.8 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -56.4 | -39.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G240 E241 L246 V247 S248 | G240-A244 PolarHBondContact O-N 3.02Å; E241-A244 WeakPolarHBondContact O-CB 3.38Å; E241-A244 PolarHBondContact O-N 3.46Å; A244-L246 VanDerWaalsContact C-N 3.35Å; A244-L246 PolarHBondContact O-N 3.4Å; A244-V247 PolarHBondContact O-N 3.43Å; A244-S248 WeakPolarHBondContact O-CB 3.42Å; A244-S248 PolarHBondContact O-N 3Å; A244-S248 PolarHBondContact O-OG 3.11Å |
| 245 | P | 94.8 | Very high | 87.3 | Confident | 93 Ų | 93 | 66.6 Ų | 66.6 | 60% | 0.604 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.8 | -41.9 | 177.1 | -25.1 | 35.2 | 0 | 0 | 0 | 112.8 | E241 G243 S248 F249 | E241-P245 WeakPolarHBondContact O-CD 3.35Å; G243-P245 VanDerWaalsContact C-CD 3.47Å; P245-S248 PolarHBondContact O-N 3.04Å; P245-F249 PolarHBondContact O-N 3.35Å |
| 246 | L | 92.9 | Very high | 87 | Confident | 69 Ų | 69 | 65.4 Ų | 65.4 | 36% | 0.361 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -74.3 | -35.2 | -178.8 | -171.3 | 58.9 | 0 | 0 | 0 | 111.9 | M74 M232 L236 G243 A244 F249 C250 | M74-L246 HydrophobicContact CE-CD2 4.36Å; M232-L246 HydrophobicContact CE-CD2 3.84Å; L236-L246 HydrophobicContact CD1-CB 4.36Å; L236-L246 HydrophobicContact CD1-CD2 3.78Å; L236-L246 HydrophobicContact CD1-CG 3.99Å; L236-L246 HydrophobicContact CD2-CB 4.18Å; L236-L246 HydrophobicContact CD2-CD2 3.82Å; L236-L246 HydrophobicContact CD2-CG 4.4Å; L236-L246 HydrophobicContact CG-CD2 4.4Å; G243-L246 PolarHBondContact O-N 2.95Å; G243-L246 VanDerWaalsContact O-N 3.14Å; A244-L246 VanDerWaalsContact C-N 3.35Å; A244-L246 PolarHBondContact O-N 3.4Å; L246-F249 HydrophobicContact CD1-CD1 4.18Å; L246-F249 PolarHBondContact O-N 3.35Å; L246-C250 PolarHBondContact O-N 3.05Å; L246-C250 PolarHBondContact O-SG 3Å |
| 247 | V | 88.6 | Confident | 86.5 | Confident | 18 Ų | 18 | 65.6 Ų | 65.6 | 11% | 0.109 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 172.3 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | A78 L236 G243 A244 F249 C250 Q251 | A78-V247 HydrophobicContact CB-CB 4.37Å; A78-V247 HydrophobicContact CB-CG1 4.03Å; A78-V247 HydrophobicContact CB-CG2 3.39Å; L236-V247 HydrophobicContact CB-CG2 3.9Å; L236-V247 HydrophobicContact CD1-CG2 4.41Å; G243-V247 WeakPolarHBondContact O-CG2 3.47Å; G243-V247 PolarHBondContact O-N 3.21Å; G243-V247 VanDerWaalsContact O-N 3.12Å; A244-V247 PolarHBondContact O-N 3.43Å; V247-F249 VanDerWaalsContact C-N 3.35Å; V247-F249 PolarHBondContact O-N 3.3Å; V247-C250 PolarHBondContact O-N 3.33Å; V247-Q251 WeakPolarHBondContact O-CG 3.49Å; V247-Q251 PolarHBondContact O-N 3.31Å |
| 248 | S | 88.9 | Confident | 85.8 | Confident | 57 Ų | 57 | 66 Ų | 66 | 40% | 0.399 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.3 | -42.2 | 177.8 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | A244 P245 C250 Q251 C252 | A244-S248 WeakPolarHBondContact O-CB 3.42Å; A244-S248 PolarHBondContact O-N 3Å; A244-S248 PolarHBondContact O-OG 3.11Å; P245-S248 PolarHBondContact O-N 3.04Å; S248-C250 PolarHBondContact O-N 2.87Å; S248-Q251 PolarHBondContact O-N 3.17Å; S248-C252 PolarHBondContact O-N 3.44Å; S248-C252 PolarHBondContact O-SG 2.88Å |
| 249 | F | 94.1 | Very high | 85.4 | Confident | 124 Ų | 124 | 65.5 Ų | 65.5 | 54% | 0.544 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -57.9 | -47.6 | 172.2 | 172 | -95.5 | 0 | 0 | 0 | 112 | P245 L246 V247 Q251 C252 L253 | P245-F249 PolarHBondContact O-N 3.35Å; L246-F249 HydrophobicContact CD1-CD1 4.18Å; L246-F249 PolarHBondContact O-N 3.35Å; V247-F249 VanDerWaalsContact C-N 3.35Å; V247-F249 PolarHBondContact O-N 3.3Å; F249-Q251 VanDerWaalsContact C-N 3.3Å; F249-Q251 PolarHBondContact O-N 3.15Å; F249-C252 PolarHBondContact O-N 3.4Å; F249-L253 HydrophobicContact CE1-CD2 4.29Å; F249-L253 WeakPolarHBondContact O-CB 3.4Å; F249-L253 PolarHBondContact O-N 3.47Å |
| 250 | C | 88.4 | Confident | 84.9 | Confident | 5 Ų | 5 | 65.3 Ų | 65.3 | 3% | 0.034 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.3 | -38.2 | 178.4 | -67.2 | 0 | 0 | 0 | 0 | 111.9 | S71 M74 L246 V247 S248 L253 N254 | S71-C250 WeakPolarHBondContact CB-O 3.22Å; M74-C250 HydrophobicContact CB-CB 4.43Å; L246-C250 PolarHBondContact O-N 3.05Å; L246-C250 PolarHBondContact O-SG 3Å; V247-C250 PolarHBondContact O-N 3.33Å; S248-C250 PolarHBondContact O-N 2.87Å; C250-L253 PolarHBondContact O-N 3.27Å; C250-N254 WeakPolarHBondContact O-CB 2.83Å; C250-N254 PolarHBondContact O-N 3.32Å |
| 251 | Q | 85 | Confident | 84.2 | Confident | 80 Ų | 80 | 64.4 Ų | 64.4 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.2 | -48.4 | 174.6 | -71.5 | 171.6 | -14.8 | 0 | 0 | 111.5 | V247 S248 F249 L253 N254 E255 | V247-Q251 WeakPolarHBondContact O-CG 3.49Å; V247-Q251 PolarHBondContact O-N 3.31Å; S248-Q251 PolarHBondContact O-N 3.17Å; F249-Q251 VanDerWaalsContact C-N 3.3Å; F249-Q251 PolarHBondContact O-N 3.15Å; Q251-L253 VanDerWaalsContact C-N 3.32Å; Q251-L253 PolarHBondContact O-N 2.91Å; Q251-N254 WeakPolarHBondContact O-CB 3.43Å; Q251-N254 PolarHBondContact O-N 3.27Å; Q251-E255 WeakPolarHBondContact O-CG 3.36Å; Q251-E255 PolarHBondContact O-N 3.45Å |
| 252 | C | 88.7 | Confident | 83.3 | Confident | 77 Ų | 77 | 58.1 Ų | 58.1 | 52% | 0.52 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 176.5 | -69.9 | 0 | 0 | 0 | 0 | 112.3 | S248 F249 S256 | S248-C252 PolarHBondContact O-N 3.44Å; S248-C252 PolarHBondContact O-SG 2.88Å; F249-C252 PolarHBondContact O-N 3.4Å; C252-S256 WeakPolarHBondContact O-CB 3.33Å; C252-S256 PolarHBondContact O-N 3.31Å; C252-S256 PolarHBondContact O-OG 2.76Å |
| 253 | L | 87.2 | Confident | 82.6 | Confident | 60 Ų | 60 | 58.4 Ų | 58.4 | 31% | 0.314 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.1 | -47.2 | 176 | 180 | 59.7 | 0 | 0 | 0 | 110.9 | F249 C250 Q251 E255 S256 V257 | F249-L253 HydrophobicContact CE1-CD2 4.29Å; F249-L253 WeakPolarHBondContact O-CB 3.4Å; F249-L253 PolarHBondContact O-N 3.47Å; C250-L253 PolarHBondContact O-N 3.27Å; Q251-L253 VanDerWaalsContact C-N 3.32Å; Q251-L253 PolarHBondContact O-N 2.91Å; L253-E255 PolarHBondContact O-N 2.67Å; L253-S256 PolarHBondContact O-N 2.9Å; L253-V257 HydrophobicContact CD1-CG2 4.14Å; L253-V257 HydrophobicContact CG-CG2 4.43Å; L253-V257 VanDerWaalsContact O-CG2 3.25Å; L253-V257 WeakPolarHBondContact O-CG2 3.18Å; L253-V257 PolarHBondContact O-N 3.2Å |
| 254 | N | 79.3 | Confident | 81.8 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 10% | 0.102 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.4 | -50.1 | 177.1 | -174 | 35.8 | 0 | 0 | 0 | 110.9 | L68 S71 C250 Q251 S256 V257 M258 | L68-N254 WeakPolarHBondContact CD1-OD1 3.41Å; S71-N254 WeakPolarHBondContact OG-CA 3.35Å; C250-N254 WeakPolarHBondContact O-CB 2.83Å; C250-N254 PolarHBondContact O-N 3.32Å; Q251-N254 WeakPolarHBondContact O-CB 3.43Å; Q251-N254 PolarHBondContact O-N 3.27Å; N254-S256 VanDerWaalsContact C-N 3.29Å; N254-S256 PolarHBondContact O-N 3.22Å; N254-V257 PolarHBondContact O-N 2.91Å; N254-M258 WeakPolarHBondContact O-CB 3.47Å; N254-M258 WeakPolarHBondContact O-CG 3.35Å; N254-M258 PolarHBondContact O-N 2.99Å |
| 255 | E | 77.3 | Confident | 80.8 | Confident | 87 Ų | 87 | 57 Ų | 57 | 41% | 0.407 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.9 | -37.8 | 177.2 | -73.8 | -173.4 | -168.8 | 0 | 0 | 113.3 | Q251 L253 M258 K259 | Q251-E255 WeakPolarHBondContact O-CG 3.36Å; Q251-E255 PolarHBondContact O-N 3.45Å; L253-E255 PolarHBondContact O-N 2.67Å; E255-M258 WeakPolarHBondContact O-CB 3.35Å; E255-M258 PolarHBondContact O-N 3.39Å; E255-K259 PolarHBondContact O-N 3.27Å |
| 256 | S | 82.4 | Confident | 80 | Confident | 64 Ų | 64 | 60.3 Ų | 60.3 | 45% | 0.448 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.4 | -46.4 | 177.6 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | C252 L253 N254 M258 K259 I260 | C252-S256 WeakPolarHBondContact O-CB 3.33Å; C252-S256 PolarHBondContact O-N 3.31Å; C252-S256 PolarHBondContact O-OG 2.76Å; L253-S256 PolarHBondContact O-N 2.9Å; N254-S256 VanDerWaalsContact C-N 3.29Å; N254-S256 PolarHBondContact O-N 3.22Å; S256-M258 VanDerWaalsContact C-N 3.27Å; S256-M258 PolarHBondContact O-N 2.9Å; S256-K259 WeakPolarHBondContact O-CB 3.34Å; S256-K259 PolarHBondContact O-N 2.95Å; S256-K259 VanDerWaalsContact O-N 3.15Å; S256-I260 PolarHBondContact O-N 3.28Å |
| 257 | V | 77.8 | Confident | 79.4 | Confident | 9 Ų | 9 | 59.7 Ų | 59.7 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.7 | -40.6 | 175.4 | 175.4 | 0 | 0 | 0 | 0 | 110.2 | M64 P67 L68 L253 N254 K259 I260 V261 | M64-V257 HydrophobicContact CE-CG1 3.75Å; M64-V257 WeakPolarHBondContact CE-O 3.18Å; P67-V257 HydrophobicContact CB-CG2 3.91Å; P67-V257 HydrophobicContact CG-CG1 4.47Å; P67-V257 HydrophobicContact CG-CG2 4.22Å; L68-V257 HydrophobicContact CB-CG1 4.1Å; L68-V257 HydrophobicContact CD1-CG1 4.1Å; L253-V257 HydrophobicContact CD1-CG2 4.14Å; L253-V257 HydrophobicContact CG-CG2 4.43Å; L253-V257 VanDerWaalsContact O-CG2 3.25Å; L253-V257 WeakPolarHBondContact O-CG2 3.18Å; L253-V257 PolarHBondContact O-N 3.2Å; N254-V257 PolarHBondContact O-N 2.91Å; V257-K259 VanDerWaalsContact C-N 3.29Å; V257-K259 PolarHBondContact O-N 3.4Å; V257-I260 CarbonylContact O-C 3.21Å; V257-I260 WeakPolarHBondContact O-CA 3.5Å; V257-I260 WeakPolarHBondContact O-CB 3.42Å; V257-I260 PolarHBondContact O-N 2.91Å; V257-V261 HydrophobicContact CG1-CG2 4.48Å; V257-V261 WeakPolarHBondContact O-CG2 3.47Å; V257-V261 PolarHBondContact O-N 3.48Å |
| 258 | M | 67.3 | Low | 78.8 | Confident | 20 Ų | 20 | 59.2 Ų | 59.2 | 10% | 0.099 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60 | -34.5 | 176.4 | -77.1 | -54.5 | -45.9 | 0 | 0 | 113.7 | L68 N254 E255 S256 V261 A262 P399 G480 I481 | L68-M258 HydrophobicContact CD1-SD 4.01Å; N254-M258 WeakPolarHBondContact O-CB 3.47Å; N254-M258 WeakPolarHBondContact O-CG 3.35Å; N254-M258 PolarHBondContact O-N 2.99Å; E255-M258 WeakPolarHBondContact O-CB 3.35Å; E255-M258 PolarHBondContact O-N 3.39Å; S256-M258 VanDerWaalsContact C-N 3.27Å; S256-M258 PolarHBondContact O-N 2.9Å; M258-V261 WeakPolarHBondContact O-CB 3.33Å; M258-V261 PolarHBondContact O-N 2.96Å; M258-V261 HydrophobicContact SD-CG2 4.35Å; M258-A262 PolarHBondContact O-N 3.42Å; M258-P399 HydrophobicContact CG-CB 4.41Å; M258-G480 VanDerWaalsContact CE-C 3.48Å; M258-G480 WeakPolarHBondContact CE-O 3.27Å; M258-I481 HydrophobicContact SD-CG1 4.08Å |
| 259 | K | 75.1 | Confident | 78.3 | Confident | 149 Ų | 149 | 56.9 Ų | 56.9 | 65% | 0.648 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -67.2 | -38.5 | 171.8 | -69.6 | 174 | -176 | 170.6 | 0 | 111.8 | E255 S256 V257 V261 A262 V263 | E255-K259 PolarHBondContact O-N 3.27Å; S256-K259 WeakPolarHBondContact O-CB 3.34Å; S256-K259 PolarHBondContact O-N 2.95Å; S256-K259 VanDerWaalsContact O-N 3.15Å; V257-K259 VanDerWaalsContact C-N 3.29Å; V257-K259 PolarHBondContact O-N 3.4Å; K259-V261 VanDerWaalsContact C-N 3.32Å; K259-A262 WeakPolarHBondContact O-CB 3.35Å; K259-A262 PolarHBondContact O-N 2.96Å; K259-V263 PolarHBondContact O-N 2.92Å |
| 260 | I | 77.6 | Confident | 78 | Confident | 92 Ų | 92 | 56 Ų | 56 | 47% | 0.472 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 173.4 | -58.2 | 170.6 | 0 | 0 | 0 | 109.9 | M64 S256 V257 A262 V263 A264 | M64-I260 HydrophobicContact CE-CB 3.63Å; M64-I260 HydrophobicContact CE-CG2 3.52Å; M64-I260 HydrophobicContact SD-CG2 4.31Å; S256-I260 PolarHBondContact O-N 3.28Å; V257-I260 CarbonylContact O-C 3.21Å; V257-I260 WeakPolarHBondContact O-CA 3.5Å; V257-I260 WeakPolarHBondContact O-CB 3.42Å; V257-I260 PolarHBondContact O-N 2.91Å; I260-A262 VanDerWaalsContact C-N 3.26Å; I260-A262 PolarHBondContact O-N 3.44Å; I260-V263 PolarHBondContact O-N 3.39Å; I260-V263 VanDerWaalsContact O-N 3.11Å; I260-A264 PolarHBondContact O-N 3.12Å |
| 261 | V | 67.1 | Low | 77.8 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 4% | 0.036 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 177.9 | 176 | 0 | 0 | 0 | 0 | 109 | M64 V257 M258 K259 V263 A264 V265 I481 | M64-V261 HydrophobicContact CE-CB 4.04Å; M64-V261 HydrophobicContact CE-CG2 3.24Å; M64-V261 VanDerWaalsContact CE-N 3.34Å; M64-V261 HydrophobicContact SD-CB 4.12Å; M64-V261 HydrophobicContact SD-CG2 3.56Å; M64-V261 VanDerWaalsContact SD-CG2 3.56Å; V257-V261 HydrophobicContact CG1-CG2 4.48Å; V257-V261 WeakPolarHBondContact O-CG2 3.47Å; V257-V261 PolarHBondContact O-N 3.48Å; M258-V261 WeakPolarHBondContact O-CB 3.33Å; M258-V261 PolarHBondContact O-N 2.96Å; M258-V261 HydrophobicContact SD-CG2 4.35Å; K259-V261 VanDerWaalsContact C-N 3.32Å; V261-V263 VanDerWaalsContact C-N 3.25Å; V261-V263 PolarHBondContact O-N 3.17Å; V261-A264 PolarHBondContact O-N 3.47Å; V261-A264 VanDerWaalsContact O-N 3.12Å; V261-V265 HydrophobicContact CG1-CG2 3.92Å; V261-V265 WeakPolarHBondContact O-CB 3.32Å; V261-V265 WeakPolarHBondContact O-CG2 3.44Å; V261-V265 PolarHBondContact O-N 3.42Å; V261-I481 HydrophobicContact CG1-CG2 4.21Å |
| 262 | A | 68.2 | Low | 77.6 | Confident | 48 Ų | 48 | 52 Ų | 52 | 40% | 0.397 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.8 | -36.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | M258 K259 I260 W266 | M258-A262 PolarHBondContact O-N 3.42Å; K259-A262 WeakPolarHBondContact O-CB 3.35Å; K259-A262 PolarHBondContact O-N 2.96Å; I260-A262 VanDerWaalsContact C-N 3.26Å; I260-A262 PolarHBondContact O-N 3.44Å; A262-W266 VanDerWaalsContact O-CD1 3.23Å; A262-W266 PolarHBondContact O-N 3.21Å |
| 263 | V | 77 | Confident | 77.6 | Confident | 104 Ų | 104 | 49.2 Ų | 49.2 | 63% | 0.63 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -68.8 | -46.8 | 174 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | K259 I260 V261 V265 W266 Y267 | K259-V263 PolarHBondContact O-N 2.92Å; I260-V263 PolarHBondContact O-N 3.39Å; I260-V263 VanDerWaalsContact O-N 3.11Å; V261-V263 VanDerWaalsContact C-N 3.25Å; V261-V263 PolarHBondContact O-N 3.17Å; V263-V265 VanDerWaalsContact C-N 3.25Å; V263-V265 PolarHBondContact O-N 3.14Å; V263-W266 WeakPolarHBondContact O-CB 3.42Å; V263-W266 PolarHBondContact O-N 3.18Å; V263-Y267 PolarHBondContact O-N 3.3Å |
| 264 | A | 71.5 | Confident | 77.7 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.9 | -37.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M60 M64 I260 V261 W266 Y267 F268 | M60-A264 HydrophobicContact CE-CB 3.74Å; M64-A264 HydrophobicContact SD-CB 4.28Å; I260-A264 PolarHBondContact O-N 3.12Å; V261-A264 PolarHBondContact O-N 3.47Å; V261-A264 VanDerWaalsContact O-N 3.12Å; A264-W266 PolarHBondContact O-N 3Å; A264-Y267 WeakPolarHBondContact O-CB 3.43Å; A264-Y267 PolarHBondContact O-N 3.25Å; A264-F268 PolarHBondContact O-N 3.29Å; A264-F268 VanDerWaalsContact O-N 3.07Å |
| 265 | V | 68.6 | Low | 77.8 | Confident | 12 Ų | 12 | 48 Ų | 48 | 7% | 0.073 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.7 | -25.6 | 176.5 | 167.9 | 0 | 0 | 0 | 0 | 112.4 | L19 V261 V263 F268 P482 | L19-V265 HydrophobicContact CD1-CG1 4.38Å; L19-V265 WeakPolarHBondContact CD1-O 3.26Å; L19-V265 HydrophobicContact CD2-CG1 3.34Å; L19-V265 HydrophobicContact CG-CG1 4.46Å; V261-V265 HydrophobicContact CG1-CG2 3.92Å; V261-V265 WeakPolarHBondContact O-CB 3.32Å; V261-V265 WeakPolarHBondContact O-CG2 3.44Å; V261-V265 PolarHBondContact O-N 3.42Å; V263-V265 VanDerWaalsContact C-N 3.25Å; V263-V265 PolarHBondContact O-N 3.14Å; V265-F268 WeakPolarHBondContact O-CB 3.08Å; V265-F268 PolarHBondContact O-N 2.82Å; V265-P482 HydrophobicContact CG2-CB 4.28Å |
| 266 | W | 76.8 | Confident | 78.1 | Confident | 164 Ų | 164 | 44.4 Ų | 44.4 | 62% | 0.621 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -75.8 | -28.3 | 171.8 | -82.6 | 105.5 | 0 | 0 | 0 | 113.2 | L19 L22 A262 V263 A264 F268 P269 | L19-W266 HydrophobicContact CD1-CE3 4.47Å; L22-W266 HydrophobicContact CD1-CZ3 4.44Å; A262-W266 VanDerWaalsContact O-CD1 3.23Å; A262-W266 PolarHBondContact O-N 3.21Å; V263-W266 WeakPolarHBondContact O-CB 3.42Å; V263-W266 PolarHBondContact O-N 3.18Å; A264-W266 PolarHBondContact O-N 3Å; W266-F268 VanDerWaalsContact C-N 3.29Å; W266-P269 WeakPolarHBondContact O-CD 3.35Å |
| 267 | Y | 81.1 | Confident | 78.4 | Confident | 55 Ų | 55 | 41.4 Ų | 41.4 | 22% | 0.216 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -74.3 | -23.4 | 171.1 | -175.8 | -103.1 | 0 | 0 | 0 | 112.1 | P53 L57 M60 V263 A264 F270 G271 | P53-Y267 WeakPolarHBondContact CA-OH 3.26Å; P53-Y267 WeakPolarHBondContact O-CE1 3.26Å; P53-Y267 PolarHBondContact O-OH 3.4Å; L57-Y267 HydrophobicContact CB-CD1 4.12Å; L57-Y267 HydrophobicContact CB-CE1 3.87Å; L57-Y267 HydrophobicContact CD1-CD1 3.98Å; M60-Y267 HydrophobicContact SD-CD1 3.94Å; M60-Y267 HydrophobicContact SD-CE1 4.37Å; M60-Y267 HydrophobicContact SD-CG 4.44Å; V263-Y267 PolarHBondContact O-N 3.3Å; A264-Y267 WeakPolarHBondContact O-CB 3.43Å; A264-Y267 PolarHBondContact O-N 3.25Å; Y267-F270 HydrophobicContact CD2-CD1 4.07Å; Y267-F270 AromaticContact CE2-CD1 3.39Å; Y267-F270 HydrophobicContact CE2-CD1 3.39Å; Y267-F270 AromaticContact CE2-CE1 3.83Å; Y267-F270 HydrophobicContact CE2-CE1 3.83Å; Y267-F270 HydrophobicContact CE2-CG 4.48Å; Y267-F270 AromaticContact CZ-CD1 3.71Å; Y267-F270 WeakPolarHBondContact O-CB 3.47Å; Y267-F270 PolarHBondContact O-N 3.38Å; Y267-G271 PolarHBondContact O-N 3.07Å |
| 268 | F | 74.8 | Confident | 78.6 | Confident | 8 Ų | 8 | 41 Ų | 41 | 4% | 0.035 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -51.1 | -50 | -175.4 | -172.4 | -101.4 | 0 | 0 | 0 | 114.9 | L57 A264 V265 W266 F270 G271 I272 Q483 L486 I507 | L57-F268 HydrophobicContact CD1-CB 4.44Å; L57-F268 HydrophobicContact CD1-CD2 3.99Å; L57-F268 HydrophobicContact CD2-CD2 3.7Å; L57-F268 HydrophobicContact CD2-CE2 4.1Å; L57-F268 HydrophobicContact CD2-CG 4.44Å; L57-F268 HydrophobicContact CG-CD2 4.36Å; A264-F268 PolarHBondContact O-N 3.29Å; A264-F268 VanDerWaalsContact O-N 3.07Å; V265-F268 WeakPolarHBondContact O-CB 3.08Å; V265-F268 PolarHBondContact O-N 2.82Å; W266-F268 VanDerWaalsContact C-N 3.29Å; F268-F270 VanDerWaalsContact C-N 3.26Å; F268-F270 PolarHBondContact O-N 3.39Å; F268-G271 PolarHBondContact O-N 3.27Å; F268-I272 HydrophobicContact CD1-CD1 3.36Å; F268-I272 HydrophobicContact CD1-CG1 4.13Å; F268-I272 HydrophobicContact CE1-CD1 2.97Å; F268-I272 HydrophobicContact CE1-CG1 3.83Å; F268-I272 HydrophobicContact CE2-CD1 4.24Å; F268-I272 HydrophobicContact CE2-CG1 4.21Å; F268-I272 HydrophobicContact CG-CD1 4.13Å; F268-I272 HydrophobicContact CG-CG1 4.44Å; F268-I272 HydrophobicContact CZ-CD1 3.44Å; F268-I272 VanDerWaalsContact CZ-CD1 3.44Å; F268-I272 HydrophobicContact CZ-CG1 3.82Å; F268-I272 VanDerWaalsContact O-CG1 3.27Å; F268-I272 WeakPolarHBondContact O-CG1 3.48Å; F268-I272 PolarHBondContact O-N 3.05Å; F268-Q483 VanDerWaalsContact CE1-NE2 3.31Å; F268-Q483 VanDerWaalsContact CZ-CD 3.45Å; F268-L486 HydrophobicContact CE2-CD1 3.9Å; F268-L486 HydrophobicContact CZ-CD1 3.72Å; F268-I507 HydrophobicContact CZ-CG2 4Å |
| 269 | P | 79.9 | Confident | 79.2 | Confident | 8 Ų | 8 | 41.4 Ų | 41.4 | 5% | 0.052 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.9 | -35.2 | 178.7 | -20.6 | 33.2 | 0 | 0 | 0 | 112.7 | L19 L22 S26 W266 | L19-P269 HydrophobicContact CD1-CG 3.76Å; L22-P269 HydrophobicContact CB-CB 4Å; L22-P269 HydrophobicContact CB-CG 4.01Å; S26-P269 WeakPolarHBondContact CB-O 3.49Å; S26-P269 VanDerWaalsContact OG-C 3.26Å; S26-P269 WeakPolarHBondContact OG-CB 3.38Å; S26-P269 PolarHBondContact OG-O 2.94Å; W266-P269 WeakPolarHBondContact O-CD 3.35Å |
| 270 | F | 87.4 | Confident | 79.7 | Confident | 106 Ų | 106 | 35 Ų | 35 | 47% | 0.465 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -69.7 | -48.6 | 177.3 | 176.8 | -101 | 0 | 0 | 0 | 111 | P53 Y267 F268 I272 V273 F274 | P53-F270 HydrophobicContact CB-CE1 3.82Å; P53-F270 HydrophobicContact CB-CZ 4.44Å; Y267-F270 HydrophobicContact CD2-CD1 4.07Å; Y267-F270 AromaticContact CE2-CD1 3.39Å; Y267-F270 HydrophobicContact CE2-CD1 3.39Å; Y267-F270 AromaticContact CE2-CE1 3.83Å; Y267-F270 HydrophobicContact CE2-CE1 3.83Å; Y267-F270 HydrophobicContact CE2-CG 4.48Å; Y267-F270 AromaticContact CZ-CD1 3.71Å; Y267-F270 WeakPolarHBondContact O-CB 3.47Å; Y267-F270 PolarHBondContact O-N 3.38Å; F268-F270 VanDerWaalsContact C-N 3.26Å; F268-F270 PolarHBondContact O-N 3.39Å; F270-I272 PolarHBondContact O-N 3.24Å; F270-V273 PolarHBondContact O-N 2.89Å; F270-F274 HydrophobicContact CD1-CE2 4.45Å; F270-F274 AromaticContact CD2-CE2 4Å; F270-F274 HydrophobicContact CD2-CE2 4Å; F270-F274 HydrophobicContact CE1-CD2 4.47Å; F270-F274 HydrophobicContact CE1-CE2 4.05Å; F270-F274 AromaticContact CE2-CE2 3.53Å; F270-F274 HydrophobicContact CE2-CE2 3.53Å; F270-F274 HydrophobicContact CE2-CZ 4.15Å; F270-F274 HydrophobicContact CG-CE2 4.45Å; F270-F274 HydrophobicContact CZ-CD2 4.39Å; F270-F274 AromaticContact CZ-CE2 3.56Å; F270-F274 HydrophobicContact CZ-CE2 3.56Å; F270-F274 HydrophobicContact CZ-CZ 4.17Å; F270-F274 WeakPolarHBondContact O-CD2 3.27Å |
| 271 | G | 84.7 | Confident | 80 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.4 | -37.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y267 F268 V273 F274 L275 | Y267-G271 PolarHBondContact O-N 3.07Å; F268-G271 PolarHBondContact O-N 3.27Å; G271-V273 VanDerWaalsContact C-N 3.31Å; G271-V273 PolarHBondContact O-N 2.99Å; G271-F274 PolarHBondContact O-N 2.9Å; G271-L275 WeakPolarHBondContact O-CG 3.31Å; G271-L275 PolarHBondContact O-N 2.94Å |
| 272 | I | 81.2 | Confident | 80.7 | Confident | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.7 | -40.3 | 178.1 | -70.8 | 166.4 | 0 | 0 | 0 | 112.4 | V27 F268 F270 F274 L275 I276 I507 | V27-I272 HydrophobicContact CG2-CG2 3.95Å; F268-I272 HydrophobicContact CD1-CD1 3.36Å; F268-I272 HydrophobicContact CD1-CG1 4.13Å; F268-I272 HydrophobicContact CE1-CD1 2.97Å; F268-I272 HydrophobicContact CE1-CG1 3.83Å; F268-I272 HydrophobicContact CE2-CD1 4.24Å; F268-I272 HydrophobicContact CE2-CG1 4.21Å; F268-I272 HydrophobicContact CG-CD1 4.13Å; F268-I272 HydrophobicContact CG-CG1 4.44Å; F268-I272 HydrophobicContact CZ-CD1 3.44Å; F268-I272 VanDerWaalsContact CZ-CD1 3.44Å; F268-I272 HydrophobicContact CZ-CG1 3.82Å; F268-I272 VanDerWaalsContact O-CG1 3.27Å; F268-I272 WeakPolarHBondContact O-CG1 3.48Å; F268-I272 PolarHBondContact O-N 3.05Å; F270-I272 PolarHBondContact O-N 3.24Å; I272-F274 VanDerWaalsContact C-N 3.28Å; I272-F274 PolarHBondContact O-N 3.23Å; I272-L275 PolarHBondContact O-N 2.91Å; I272-I276 HydrophobicContact CG2-CD1 3.34Å; I272-I276 HydrophobicContact CG2-CG1 3.85Å; I272-I276 WeakPolarHBondContact O-CB 3.39Å; I272-I276 WeakPolarHBondContact O-CG1 3.38Å; I272-I276 PolarHBondContact O-N 3.46Å; I272-I507 HydrophobicContact CD1-CG2 4.16Å; I272-I507 HydrophobicContact CG1-CG2 4.1Å |
| 273 | V | 86.9 | Confident | 81.1 | Confident | 17 Ų | 17 | 35 Ų | 35 | 10% | 0.103 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.5 | -49.3 | -177.5 | 174.1 | 0 | 0 | 0 | 0 | 109.7 | S26 V29 L33 F270 G271 A277 | S26-V273 WeakPolarHBondContact O-CG2 3.28Å; V29-V273 HydrophobicContact CG1-CG1 4.11Å; V29-V273 HydrophobicContact CG1-CG2 4.48Å; L33-V273 HydrophobicContact CD2-CG1 4.1Å; F270-V273 PolarHBondContact O-N 2.89Å; G271-V273 VanDerWaalsContact C-N 3.31Å; G271-V273 PolarHBondContact O-N 2.99Å; V273-A277 WeakPolarHBondContact O-CB 3.26Å; V273-A277 PolarHBondContact O-N 2.9Å |
| 274 | F | 89.4 | Confident | 81.1 | Confident | 42 Ų | 42 | 37.5 Ų | 37.5 | 18% | 0.184 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -74.9 | -35.1 | -178.8 | -61.5 | -83.6 | 0 | 0 | 0 | 112.7 | F50 P53 F270 G271 I272 G278 | F50-F274 HydrophobicContact CD2-CD1 4.33Å; F50-F274 HydrophobicContact CE1-CD1 4.32Å; F50-F274 AromaticContact CE2-CD1 3.89Å; F50-F274 HydrophobicContact CE2-CD1 3.89Å; F50-F274 AromaticContact CE2-CE1 3.97Å; F50-F274 HydrophobicContact CE2-CE1 3.97Å; F50-F274 AromaticContact CZ-CD1 3.87Å; F50-F274 HydrophobicContact CZ-CD1 3.87Å; F50-F274 HydrophobicContact CZ-CE1 4.3Å; F50-F274 WeakPolarHBondContact O-CD1 3.48Å; P53-F274 HydrophobicContact CB-CB 4.23Å; P53-F274 HydrophobicContact CB-CD2 3.7Å; P53-F274 HydrophobicContact CB-CE2 4.24Å; P53-F274 HydrophobicContact CB-CG 3.94Å; P53-F274 HydrophobicContact CG-CB 4.48Å; P53-F274 HydrophobicContact CG-CD1 4.18Å; P53-F274 HydrophobicContact CG-CD2 4.04Å; P53-F274 HydrophobicContact CG-CE1 4.46Å; P53-F274 HydrophobicContact CG-CE2 4.33Å; P53-F274 HydrophobicContact CG-CG 3.96Å; F270-F274 HydrophobicContact CD1-CE2 4.45Å; F270-F274 AromaticContact CD2-CE2 4Å; F270-F274 HydrophobicContact CD2-CE2 4Å; F270-F274 HydrophobicContact CE1-CD2 4.47Å; F270-F274 HydrophobicContact CE1-CE2 4.05Å; F270-F274 AromaticContact CE2-CE2 3.53Å; F270-F274 HydrophobicContact CE2-CE2 3.53Å; F270-F274 HydrophobicContact CE2-CZ 4.15Å; F270-F274 HydrophobicContact CG-CE2 4.45Å; F270-F274 HydrophobicContact CZ-CD2 4.39Å; F270-F274 AromaticContact CZ-CE2 3.56Å; F270-F274 HydrophobicContact CZ-CE2 3.56Å; F270-F274 HydrophobicContact CZ-CZ 4.17Å; F270-F274 WeakPolarHBondContact O-CD2 3.27Å; G271-F274 PolarHBondContact O-N 2.9Å; I272-F274 VanDerWaalsContact C-N 3.28Å; I272-F274 PolarHBondContact O-N 3.23Å; F274-G278 WeakPolarHBondContact O-CA 3.36Å; F274-G278 PolarHBondContact O-N 3.35Å |
| 275 | L | 82.1 | Confident | 81.6 | Confident | 13 Ų | 13 | 41.1 Ų | 41.1 | 7% | 0.068 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.5 | -51.4 | 173.9 | -76.8 | 175.1 | 0 | 0 | 0 | 111.8 | G54 L57 M58 G271 I272 K279 T504 | G54-L275 VanDerWaalsContact CA-CD2 3.46Å; G54-L275 WeakPolarHBondContact O-CD2 3.48Å; L57-L275 HydrophobicContact CB-CD1 4.49Å; L57-L275 HydrophobicContact CD2-CD1 3.84Å; L57-L275 HydrophobicContact CG-CD1 4.5Å; M58-L275 HydrophobicContact CG-CD1 4.17Å; M58-L275 HydrophobicContact CG-CD2 4.14Å; M58-L275 HydrophobicContact SD-CD1 4.15Å; G271-L275 WeakPolarHBondContact O-CG 3.31Å; G271-L275 PolarHBondContact O-N 2.94Å; I272-L275 PolarHBondContact O-N 2.91Å; L275-K279 WeakPolarHBondContact O-CB 3.31Å; L275-K279 WeakPolarHBondContact O-CG 3.49Å; L275-K279 PolarHBondContact O-N 3.4Å; L275-T504 HydrophobicContact CB-CG2 4.04Å; L275-T504 HydrophobicContact CD1-CG2 4.1Å; L275-T504 HydrophobicContact CD2-CG2 3.8Å; L275-T504 HydrophobicContact CG-CG2 4.18Å |
| 276 | I | 83.9 | Confident | 82.1 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 6% | 0.056 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.3 | -48 | -178 | -68.8 | -179.3 | 0 | 0 | 0 | 110.3 | V27 I272 G278 K279 I280 A508 | V27-I276 HydrophobicContact CB-CD1 4.14Å; V27-I276 HydrophobicContact CG1-CD1 3.97Å; V27-I276 HydrophobicContact CG2-CD1 3.81Å; I272-I276 HydrophobicContact CG2-CD1 3.34Å; I272-I276 HydrophobicContact CG2-CG1 3.85Å; I272-I276 WeakPolarHBondContact O-CB 3.39Å; I272-I276 WeakPolarHBondContact O-CG1 3.38Å; I272-I276 PolarHBondContact O-N 3.46Å; I276-G278 VanDerWaalsContact C-N 3.32Å; I276-G278 PolarHBondContact O-N 3.44Å; I276-K279 PolarHBondContact O-N 3.18Å; I276-I280 HydrophobicContact CG2-CD1 3.83Å; I276-I280 VanDerWaalsContact O-CG1 3.3Å; I276-I280 WeakPolarHBondContact O-CG1 3.38Å; I276-I280 PolarHBondContact O-N 3.35Å; I276-A508 HydrophobicContact CD1-CB 4.16Å |
| 277 | A | 87.5 | Confident | 82.4 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.9 | -46.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | G30 L33 F50 V273 I280 L281 | G30-A277 WeakPolarHBondContact O-CA 3.45Å; G30-A277 WeakPolarHBondContact O-CB 3.17Å; L33-A277 HydrophobicContact CB-CB 4.38Å; L33-A277 HydrophobicContact CG-CB 4.4Å; F50-A277 HydrophobicContact CE1-CB 3.64Å; F50-A277 HydrophobicContact CZ-CB 3.92Å; V273-A277 WeakPolarHBondContact O-CB 3.26Å; V273-A277 PolarHBondContact O-N 2.9Å; A277-I280 PolarHBondContact O-N 3.31Å; A277-L281 WeakPolarHBondContact O-CG 3.3Å; A277-L281 PolarHBondContact O-N 2.9Å; A277-L281 VanDerWaalsContact O-N 3.15Å |
| 278 | G | 83.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.4 | -41.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q51 F274 I276 L281 E282 | Q51-G278 PolarHBondContact NE2-O 2.97Å; F274-G278 WeakPolarHBondContact O-CA 3.36Å; F274-G278 PolarHBondContact O-N 3.35Å; I276-G278 VanDerWaalsContact C-N 3.32Å; I276-G278 PolarHBondContact O-N 3.44Å; G278-L281 WeakPolarHBondContact O-CB 3.32Å; G278-L281 PolarHBondContact O-N 3.38Å; G278-L281 VanDerWaalsContact O-N 3.12Å; G278-E282 PolarHBondContact O-N 3.44Å; G278-E282 VanDerWaalsContact O-N 3.13Å |
| 279 | K | 79.6 | Confident | 82.8 | Confident | 29 Ų | 29 | 44 Ų | 44 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.9 | -40.6 | 176.3 | -74 | -81.3 | 166.2 | -157.3 | 0 | 111.9 | L275 I276 L281 E282 M283 D501 T504 | L275-K279 WeakPolarHBondContact O-CB 3.31Å; L275-K279 WeakPolarHBondContact O-CG 3.49Å; L275-K279 PolarHBondContact O-N 3.4Å; I276-K279 PolarHBondContact O-N 3.18Å; K279-L281 PolarHBondContact O-N 2.96Å; K279-E282 WeakPolarHBondContact CE-OE2 3.41Å; K279-E282 IonicContact NZ-OE2 2.75Å; K279-E282 PolarHBondContact NZ-OE2 3.26Å; K279-E282 PolarHBondContact O-N 2.95Å; K279-E282 VanDerWaalsContact O-N 3.1Å; K279-M283 WeakPolarHBondContact O-CG 3.28Å; K279-M283 PolarHBondContact O-N 3.39Å; K279-M283 VanDerWaalsContact O-N 3.11Å; K279-D501 WeakPolarHBondContact CE-O 3.39Å; K279-T504 WeakPolarHBondContact CD-OG1 3.28Å; K279-T504 HydrophobicContact CG-CG2 4.4Å; K279-T504 VanDerWaalsContact CG-OG1 3.29Å; K279-T504 WeakPolarHBondContact CG-OG1 3.34Å |
| 280 | I | 84.7 | Confident | 83 | Confident | 16 Ų | 16 | 45.7 Ų | 45.7 | 8% | 0.082 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.1 | -30.4 | 173 | -69 | 167.6 | 0 | 0 | 0 | 111.7 | C31 F35 R38 I276 A277 | C31-I280 HydrophobicContact CB-CD1 4.37Å; F35-I280 HydrophobicContact CD1-CG2 4.33Å; F35-I280 HydrophobicContact CE1-CG2 4.41Å; F35-I280 HydrophobicContact CE2-CD1 4.41Å; R38-I280 PolarHBondContact NH1-O 2.79Å; I276-I280 HydrophobicContact CG2-CD1 3.83Å; I276-I280 VanDerWaalsContact O-CG1 3.3Å; I276-I280 WeakPolarHBondContact O-CG1 3.38Å; I276-I280 PolarHBondContact O-N 3.35Å; A277-I280 PolarHBondContact O-N 3.31Å |
| 281 | L | 85.1 | Confident | 83 | Confident | 23 Ų | 23 | 46.1 Ų | 46.1 | 12% | 0.12 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -74.6 | -35.5 | 175.8 | -66.2 | 172.4 | 0 | 0 | 0 | 113 | L37 R38 L42 I47 F50 A277 G278 K279 | L37-L281 HydrophobicContact CB-CD1 4.08Å; L37-L281 HydrophobicContact CB-CD2 3.8Å; L37-L281 HydrophobicContact CB-CG 4.44Å; L37-L281 HydrophobicContact CD1-CD1 4.31Å; R38-L281 VanDerWaalsContact CA-CD2 3.49Å; R38-L281 HydrophobicContact CB-CD2 3.94Å; R38-L281 VanDerWaalsContact N-CD2 3.26Å; L42-L281 HydrophobicContact CD1-CD1 4.1Å; L42-L281 HydrophobicContact CD1-CD2 4.39Å; I47-L281 HydrophobicContact CD1-CB 4.32Å; I47-L281 HydrophobicContact CG1-CB 4.38Å; I47-L281 HydrophobicContact CG1-CD1 4.45Å; I47-L281 HydrophobicContact CG2-CB 4.37Å; F50-L281 HydrophobicContact CD1-CD1 4.08Å; F50-L281 HydrophobicContact CE1-CD1 4.28Å; A277-L281 WeakPolarHBondContact O-CG 3.3Å; A277-L281 PolarHBondContact O-N 2.9Å; A277-L281 VanDerWaalsContact O-N 3.15Å; G278-L281 WeakPolarHBondContact O-CB 3.32Å; G278-L281 PolarHBondContact O-N 3.38Å; G278-L281 VanDerWaalsContact O-N 3.12Å; K279-L281 PolarHBondContact O-N 2.96Å |
| 282 | E | 80.8 | Confident | 83.1 | Confident | 89 Ų | 89 | 47 Ų | 47 | 42% | 0.416 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -72.6 | -27 | 177.4 | -73 | 178.1 | 173.8 | 0 | 0 | 113.6 | I47 Q51 G278 K279 | I47-E282 HydrophobicContact CG2-CG 4.24Å; Q51-E282 PolarHBondContact NE2-OE1 3.47Å; Q51-E282 PolarHBondContact OE1-OE1 2.95Å; Q51-E282 VanDerWaalsContact OE1-OE1 3.11Å; G278-E282 PolarHBondContact O-N 3.44Å; G278-E282 VanDerWaalsContact O-N 3.13Å; K279-E282 WeakPolarHBondContact CE-OE2 3.41Å; K279-E282 IonicContact NZ-OE2 2.75Å; K279-E282 PolarHBondContact NZ-OE2 3.26Å; K279-E282 PolarHBondContact O-N 2.95Å; K279-E282 VanDerWaalsContact O-N 3.1Å |
| 283 | M | 77.3 | Confident | 83.5 | Confident | 33 Ų | 33 | 48.1 Ų | 48.1 | 16% | 0.163 | 24% | 0.244 | C | C | . | . | trans | -78.1 | 132.3 | -172.8 | -66.3 | 155.8 | 71.5 | 0 | 0 | 111.8 | R38 K279 V289 L505 | R38-M283 PolarHBondContact NH1-O 2.91Å; R38-M283 PolarHBondContact NH2-O 2.91Å; K279-M283 WeakPolarHBondContact O-CG 3.28Å; K279-M283 PolarHBondContact O-N 3.39Å; K279-M283 VanDerWaalsContact O-N 3.11Å; M283-V289 HydrophobicContact CE-CB 3.14Å; M283-V289 HydrophobicContact CE-CG1 3.25Å; M283-V289 HydrophobicContact CE-CG2 3.45Å; M283-V289 VanDerWaalsContact CE-CG2 3.45Å; M283-L505 HydrophobicContact CE-CD2 4.17Å; M283-L505 HydrophobicContact SD-CD2 3.86Å | ||
| 284 | D | 76.1 | Confident | 83.6 | Confident | 156 Ų | 156 | 49 Ų | 49 | 83% | 0.834 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -71.6 | -36.9 | 177.6 | -63.1 | -51.1 | 0 | 0 | 0 | 113.7 | R38 | R38-D284 VanDerWaalsContact NH2-C 3.3Å; R38-D284 PolarHBondContact NH2-O 3Å |
| 285 | D | 81.3 | Confident | 83.6 | Confident | 80 Ų | 80 | 51 Ų | 51 | 43% | 0.428 | 27% | 0.265 | S | S | . | . | trans | -132.1 | 100.1 | 175.4 | -176.6 | 9 | 0 | 0 | 0 | 112.9 | R287 A288 V289 | D285-R287 VanDerWaalsContact C-N 3.27Å; D285-R287 PolarHBondContact O-N 2.82Å; D285-R287 WeakPolarHBondContact OD1-CB 3.16Å; D285-R287 PolarHBondContact OD1-N 3.28Å; D285-A288 HydrophobicContact CB-CB 4.14Å; D285-A288 PolarHBondContact OD1-N 3.49Å; D285-A288 WeakPolarHBondContact OD2-CB 3.46Å; D285-A288 PolarHBondContact OD2-N 2.98Å; D285-V289 PolarHBondContact O-N 3.1Å | ||
| 286 | P | 80.5 | Confident | 84.2 | Confident | 23 Ų | 23 | 50.3 Ų | 50.3 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.7 | -27.7 | 176.4 | -24.3 | 34.7 | 0 | 0 | 0 | 114.4 | F35 G290 | F35-P286 HydrophobicContact CE1-CB 3.68Å; F35-P286 HydrophobicContact CE1-CG 4Å; F35-P286 HydrophobicContact CZ-CB 3.93Å; P286-G290 PolarHBondContact O-N 3.39Å |
| 287 | R | 83.3 | Confident | 84.6 | Confident | 218 Ų | 218 | 50.9 Ų | 50.9 | 82% | 0.823 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -73.5 | -45.5 | -177.9 | -66.9 | -178.2 | 178.1 | -173.5 | 1 | 110.8 | D285 V289 G290 K291 | D285-R287 VanDerWaalsContact C-N 3.27Å; D285-R287 PolarHBondContact O-N 2.82Å; D285-R287 WeakPolarHBondContact OD1-CB 3.16Å; D285-R287 PolarHBondContact OD1-N 3.28Å; R287-V289 VanDerWaalsContact C-N 3.32Å; R287-V289 PolarHBondContact O-N 3.29Å; R287-G290 PolarHBondContact O-N 3.47Å; R287-K291 PolarHBondContact O-N 3.41Å |
| 288 | A | 82.6 | Confident | 84.9 | Confident | 29 Ų | 29 | 54.8 Ų | 54.8 | 24% | 0.24 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.7 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D285 K291 K292 | D285-A288 HydrophobicContact CB-CB 4.14Å; D285-A288 PolarHBondContact OD1-N 3.49Å; D285-A288 WeakPolarHBondContact OD2-CB 3.46Å; D285-A288 PolarHBondContact OD2-N 2.98Å; A288-K291 WeakPolarHBondContact O-CB 3.41Å; A288-K291 PolarHBondContact O-N 2.94Å; A288-K292 WeakPolarHBondContact O-CG 2.89Å; A288-K292 PolarHBondContact O-N 3.39Å |
| 289 | V | 81.8 | Confident | 85.4 | Confident | 29 Ų | 29 | 54.8 Ų | 54.8 | 18% | 0.176 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71 | -36.4 | 179.2 | 180 | 0 | 0 | 0 | 0 | 112.2 | M283 D285 R287 K291 K292 L293 L505 | M283-V289 HydrophobicContact CE-CB 3.14Å; M283-V289 HydrophobicContact CE-CG1 3.25Å; M283-V289 HydrophobicContact CE-CG2 3.45Å; M283-V289 VanDerWaalsContact CE-CG2 3.45Å; D285-V289 PolarHBondContact O-N 3.1Å; R287-V289 VanDerWaalsContact C-N 3.32Å; R287-V289 PolarHBondContact O-N 3.29Å; V289-K291 PolarHBondContact O-N 3.02Å; V289-K292 PolarHBondContact O-N 2.95Å; V289-K292 VanDerWaalsContact O-N 3.16Å; V289-L293 WeakPolarHBondContact O-CB 3.46Å; V289-L293 PolarHBondContact O-N 3.3Å; V289-L505 HydrophobicContact CG1-CD1 4.46Å; V289-L505 HydrophobicContact CG1-CD2 4.29Å |
| 290 | G | 83.9 | Confident | 86.2 | Confident | 43 Ų | 43 | 53.4 Ų | 53.4 | 44% | 0.443 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.6 | -39.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P286 R287 L293 G294 | P286-G290 PolarHBondContact O-N 3.39Å; R287-G290 PolarHBondContact O-N 3.47Å; G290-L293 PolarHBondContact O-N 2.98Å; G290-G294 PolarHBondContact O-N 2.94Å |
| 291 | K | 86.6 | Confident | 86.6 | Confident | 115 Ų | 115 | 54.6 Ų | 54.6 | 50% | 0.5 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.1 | -48.4 | 173.5 | -173.1 | -178.2 | 177.4 | -171.8 | 0 | 111.6 | R287 A288 V289 L293 G294 F295 | R287-K291 PolarHBondContact O-N 3.41Å; A288-K291 WeakPolarHBondContact O-CB 3.41Å; A288-K291 PolarHBondContact O-N 2.94Å; V289-K291 PolarHBondContact O-N 3.02Å; K291-L293 VanDerWaalsContact C-N 3.29Å; K291-L293 PolarHBondContact O-N 3.07Å; K291-G294 PolarHBondContact O-N 3.08Å; K291-F295 HydrophobicContact CD-CE2 4.42Å; K291-F295 HydrophobicContact CG-CD2 4.03Å; K291-F295 HydrophobicContact CG-CE2 3.87Å; K291-F295 WeakPolarHBondContact O-CD2 3.39Å; K291-F295 PolarHBondContact O-N 2.79Å |
| 292 | K | 88 | Confident | 87.2 | Confident | 19 Ų | 19 | 56 Ų | 56 | 8% | 0.083 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.5 | -44.5 | 175.7 | -67.1 | -174 | -177.7 | -164.6 | 0 | 111.4 | G117 A120 A288 V289 F295 Y296 F450 V454 | G117-K292 WeakPolarHBondContact O-CD 3.28Å; G117-K292 WeakPolarHBondContact O-CE 3.36Å; G117-K292 PolarHBondContact O-NZ 3.12Å; G117-K292 VanDerWaalsContact O-NZ 3.11Å; A120-K292 HydrophobicContact CB-CD 4.24Å; A120-K292 HydrophobicContact CB-CG 3.55Å; A288-K292 WeakPolarHBondContact O-CG 2.89Å; A288-K292 PolarHBondContact O-N 3.39Å; V289-K292 PolarHBondContact O-N 2.95Å; V289-K292 VanDerWaalsContact O-N 3.16Å; K292-F295 PolarHBondContact O-N 2.87Å; K292-Y296 WeakPolarHBondContact O-CB 3.32Å; K292-Y296 PolarHBondContact O-N 3.29Å; K292-F450 HydrophobicContact CB-CE2 4.1Å; K292-F450 HydrophobicContact CB-CZ 4.26Å; K292-V454 HydrophobicContact CD-CG2 4.16Å |
| 293 | L | 87.8 | Confident | 87.9 | Confident | 25 Ų | 25 | 51.8 Ų | 51.8 | 13% | 0.131 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.4 | -35 | 179 | -169.7 | 65.3 | 0 | 0 | 0 | 113.1 | V289 G290 K291 Y296 S297 F450 L505 V509 | V289-L293 WeakPolarHBondContact O-CB 3.46Å; V289-L293 PolarHBondContact O-N 3.3Å; G290-L293 PolarHBondContact O-N 2.98Å; K291-L293 VanDerWaalsContact C-N 3.29Å; K291-L293 PolarHBondContact O-N 3.07Å; L293-Y296 HydrophobicContact CD1-CD1 3.96Å; L293-Y296 WeakPolarHBondContact O-CB 3.35Å; L293-Y296 PolarHBondContact O-N 3.28Å; L293-S297 PolarHBondContact O-N 3.34Å; L293-S297 PolarHBondContact O-OG 2.88Å; L293-F450 HydrophobicContact CD1-CE1 4.36Å; L293-L505 WeakPolarHBondContact CD1-O 3.46Å; L293-L505 WeakPolarHBondContact CD2-O 3.43Å; L293-V509 HydrophobicContact CD1-CG1 4.47Å; L293-V509 HydrophobicContact CD1-CG2 3.81Å; L293-V509 HydrophobicContact CD2-CG1 3.76Å; L293-V509 HydrophobicContact CD2-CG2 4.47Å; L293-V509 HydrophobicContact CG-CG1 3.87Å; L293-V509 HydrophobicContact CG-CG2 4.13Å |
| 294 | G | 89.1 | Confident | 88.8 | Confident | 36 Ų | 36 | 50.3 Ų | 50.3 | 37% | 0.371 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.1 | -49.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | G290 K291 Y296 S297 V298 | G290-G294 PolarHBondContact O-N 2.94Å; K291-G294 PolarHBondContact O-N 3.08Å; G294-Y296 VanDerWaalsContact C-N 3.33Å; G294-Y296 PolarHBondContact O-N 2.96Å; G294-S297 WeakPolarHBondContact O-CB 3.27Å; G294-S297 PolarHBondContact O-N 2.83Å; G294-V298 WeakPolarHBondContact O-CG2 3.15Å; G294-V298 PolarHBondContact O-N 2.48Å; G294-V298 VanDerWaalsContact O-N 3.07Å |
| 295 | F | 91.1 | Very high | 89.7 | Confident | 83 Ų | 83 | 45.6 Ų | 45.6 | 36% | 0.364 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 175.1 | -83.6 | -77.6 | 0 | 0 | 0 | 112 | I114 P116 A119 K291 K292 S297 V298 T299 | I114-F295 HydrophobicContact CG2-CD1 4.39Å; P116-F295 HydrophobicContact CB-CB 3.77Å; A119-F295 HydrophobicContact CB-CD2 4.27Å; A119-F295 HydrophobicContact CB-CG 4.39Å; K291-F295 HydrophobicContact CD-CE2 4.42Å; K291-F295 HydrophobicContact CG-CD2 4.03Å; K291-F295 HydrophobicContact CG-CE2 3.87Å; K291-F295 WeakPolarHBondContact O-CD2 3.39Å; K291-F295 PolarHBondContact O-N 2.79Å; K292-F295 PolarHBondContact O-N 2.87Å; F295-S297 VanDerWaalsContact C-N 3.33Å; F295-S297 PolarHBondContact O-N 3.04Å; F295-V298 PolarHBondContact O-N 3.19Å; F295-T299 PolarHBondContact O-N 3.32Å; F295-T299 PolarHBondContact O-OG1 3.38Å |
| 296 | Y | 93.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.1 | -47.4 | 173 | 162.7 | -99 | 0 | 0 | 0 | 112.2 | K292 L293 G294 V298 T299 V300 Y443 V446 A447 F450 I506 V509 L513 | K292-Y296 WeakPolarHBondContact O-CB 3.32Å; K292-Y296 PolarHBondContact O-N 3.29Å; L293-Y296 HydrophobicContact CD1-CD1 3.96Å; L293-Y296 WeakPolarHBondContact O-CB 3.35Å; L293-Y296 PolarHBondContact O-N 3.28Å; G294-Y296 VanDerWaalsContact C-N 3.33Å; G294-Y296 PolarHBondContact O-N 2.96Å; Y296-V298 VanDerWaalsContact C-N 3.31Å; Y296-V298 PolarHBondContact O-N 3.01Å; Y296-T299 WeakPolarHBondContact O-CB 3.29Å; Y296-T299 PolarHBondContact O-N 2.69Å; Y296-V300 HydrophobicContact CD2-CG2 4.19Å; Y296-V300 HydrophobicContact CE1-CG2 4.25Å; Y296-V300 HydrophobicContact CE2-CG2 3.62Å; Y296-V300 WeakPolarHBondContact O-CG2 3.35Å; Y296-V300 PolarHBondContact O-N 3.3Å; Y296-Y443 VanDerWaalsContact OH-CD2 3.32Å; Y296-Y443 WeakPolarHBondContact OH-CD2 3.49Å; Y296-Y443 WeakPolarHBondContact OH-CE2 3.4Å; Y296-V446 HydrophobicContact CD2-CG1 4.11Å; Y296-V446 HydrophobicContact CE2-CG1 3.92Å; Y296-A447 HydrophobicContact CE2-CB 4.01Å; Y296-F450 HydrophobicContact CD2-CB 3.7Å; Y296-F450 AromaticContact CD2-CD1 3.57Å; Y296-F450 HydrophobicContact CD2-CD1 3.57Å; Y296-F450 HydrophobicContact CD2-CD2 4.19Å; Y296-F450 HydrophobicContact CD2-CE1 4.21Å; Y296-F450 AromaticContact CD2-CG 3.54Å; Y296-F450 HydrophobicContact CD2-CG 3.54Å; Y296-F450 HydrophobicContact CE2-CB 4.22Å; Y296-F450 HydrophobicContact CE2-CD1 4.13Å; Y296-F450 HydrophobicContact CE2-CG 4.33Å; Y296-F450 AromaticContact CG-CD1 3.81Å; Y296-F450 HydrophobicContact CG-CD1 3.81Å; Y296-F450 HydrophobicContact CG-CD2 4.35Å; Y296-F450 AromaticContact CG-CE1 3.97Å; Y296-F450 HydrophobicContact CG-CE1 3.97Å; Y296-F450 HydrophobicContact CG-CE2 4.47Å; Y296-F450 HydrophobicContact CG-CG 4Å; Y296-F450 HydrophobicContact CG-CZ 4.28Å; Y296-I506 HydrophobicContact CE1-CG1 4.37Å; Y296-I506 HydrophobicContact CE1-CG2 3.76Å; Y296-I506 HydrophobicContact CE2-CD1 4.48Å; Y296-I506 WeakPolarHBondContact OH-CG2 3.49Å; Y296-V509 HydrophobicContact CD1-CG2 4.2Å; Y296-V509 HydrophobicContact CE1-CG2 4Å; Y296-L513 HydrophobicContact CD1-CD1 4.48Å; Y296-L513 HydrophobicContact CE1-CD1 3.67Å |
| 297 | S | 92.3 | Very high | 91.1 | Very high | 23 Ų | 23 | 43.7 Ų | 43.7 | 16% | 0.161 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.9 | -40.5 | 179.7 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | L293 G294 F295 V301 | L293-S297 PolarHBondContact O-N 3.34Å; L293-S297 PolarHBondContact O-OG 2.88Å; G294-S297 WeakPolarHBondContact O-CB 3.27Å; G294-S297 PolarHBondContact O-N 2.83Å; F295-S297 VanDerWaalsContact C-N 3.33Å; F295-S297 PolarHBondContact O-N 3.04Å; S297-V301 WeakPolarHBondContact O-CG2 3.49Å; S297-V301 PolarHBondContact O-N 3.01Å |
| 298 | V | 93.8 | Very high | 91.7 | Very high | 81 Ų | 81 | 33.3 Ų | 33.3 | 49% | 0.491 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.9 | -47.6 | 174.5 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | G294 F295 Y296 V300 V301 C302 | G294-V298 WeakPolarHBondContact O-CG2 3.15Å; G294-V298 PolarHBondContact O-N 2.48Å; G294-V298 VanDerWaalsContact O-N 3.07Å; F295-V298 PolarHBondContact O-N 3.19Å; Y296-V298 VanDerWaalsContact C-N 3.31Å; Y296-V298 PolarHBondContact O-N 3.01Å; V298-V300 VanDerWaalsContact C-N 3.34Å; V298-V300 PolarHBondContact O-N 3.03Å; V298-V301 PolarHBondContact O-N 3.43Å; V298-C302 VanDerWaalsContact O-CB 3.27Å; V298-C302 WeakPolarHBondContact O-CB 3.45Å; V298-C302 PolarHBondContact O-N 3.26Å; V298-C302 PolarHBondContact O-SG 2.88Å |
| 299 | T | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.4 | -47.3 | 177.6 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | M110 V111 I114 F295 Y296 G303 V446 | M110-T299 HydrophobicContact CB-CG2 4.24Å; M110-T299 HydrophobicContact CG-CG2 3.77Å; V111-T299 HydrophobicContact CB-CG2 4.03Å; V111-T299 HydrophobicContact CG2-CG2 4.45Å; I114-T299 HydrophobicContact CD1-CG2 4.18Å; I114-T299 WeakPolarHBondContact CG2-OG1 3.09Å; F295-T299 PolarHBondContact O-N 3.32Å; F295-T299 PolarHBondContact O-OG1 3.38Å; Y296-T299 WeakPolarHBondContact O-CB 3.29Å; Y296-T299 PolarHBondContact O-N 2.69Å; T299-G303 PolarHBondContact O-N 3.12Å; T299-V446 HydrophobicContact CG2-CG1 3.78Å |
| 300 | V | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.7 | -50.1 | 178.3 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | Y296 V298 C302 G303 L304 Y443 V446 L513 | Y296-V300 HydrophobicContact CD2-CG2 4.19Å; Y296-V300 HydrophobicContact CE1-CG2 4.25Å; Y296-V300 HydrophobicContact CE2-CG2 3.62Å; Y296-V300 WeakPolarHBondContact O-CG2 3.35Å; Y296-V300 PolarHBondContact O-N 3.3Å; V298-V300 VanDerWaalsContact C-N 3.34Å; V298-V300 PolarHBondContact O-N 3.03Å; V300-C302 PolarHBondContact O-N 2.92Å; V300-G303 PolarHBondContact O-N 3.33Å; V300-L304 HydrophobicContact CG1-CD1 3.9Å; V300-L304 HydrophobicContact CG1-CG 4.31Å; V300-L304 VanDerWaalsContact O-CG 3.31Å; V300-L304 WeakPolarHBondContact O-CG 3.49Å; V300-L304 PolarHBondContact O-N 3.34Å; V300-Y443 HydrophobicContact CG1-CD2 4.12Å; V300-Y443 HydrophobicContact CG2-CD2 4.34Å; V300-V446 HydrophobicContact CG2-CB 4.15Å; V300-V446 HydrophobicContact CG2-CG1 3.6Å; V300-L513 HydrophobicContact CB-CD1 4.34Å; V300-L513 HydrophobicContact CB-CD2 4.21Å; V300-L513 HydrophobicContact CG1-CD1 4.28Å; V300-L513 HydrophobicContact CG1-CD2 4.1Å; V300-L513 HydrophobicContact CG2-CD1 4.38Å |
| 301 | V | 94.8 | Very high | 93.4 | Very high | 41 Ų | 41 | 40.8 Ų | 40.8 | 25% | 0.248 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.7 | -43.5 | -179 | 172.9 | 0 | 0 | 0 | 0 | 111 | S297 V298 G303 L304 V305 L513 F516 | S297-V301 WeakPolarHBondContact O-CG2 3.49Å; S297-V301 PolarHBondContact O-N 3.01Å; V298-V301 PolarHBondContact O-N 3.43Å; V301-G303 VanDerWaalsContact C-N 3.35Å; V301-G303 PolarHBondContact O-N 3.38Å; V301-L304 PolarHBondContact O-N 2.97Å; V301-V305 HydrophobicContact CG1-CG2 4.33Å; V301-V305 WeakPolarHBondContact O-CB 3.02Å; V301-V305 VanDerWaalsContact O-CG2 3.27Å; V301-V305 WeakPolarHBondContact O-CG2 3.25Å; V301-V305 PolarHBondContact O-N 3.26Å; V301-L513 HydrophobicContact CG2-CD2 3.67Å; V301-F516 HydrophobicContact CG2-CD2 4.2Å; V301-F516 HydrophobicContact CG2-CE2 4.35Å |
| 302 | C | 95.9 | Very high | 93.8 | Very high | 53 Ų | 53 | 35.3 Ų | 35.3 | 36% | 0.358 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.2 | -43.8 | 175.1 | -73.9 | 0 | 0 | 0 | 0 | 111.7 | M110 V298 V300 V305 L306 | M110-C302 HydrophobicContact CE-CB 3.99Å; M110-C302 HydrophobicContact SD-CB 4.19Å; V298-C302 VanDerWaalsContact O-CB 3.27Å; V298-C302 WeakPolarHBondContact O-CB 3.45Å; V298-C302 PolarHBondContact O-N 3.26Å; V298-C302 PolarHBondContact O-SG 2.88Å; V300-C302 PolarHBondContact O-N 2.92Å; C302-V305 PolarHBondContact O-N 3Å; C302-L306 VanDerWaalsContact O-CB 3.31Å; C302-L306 WeakPolarHBondContact O-CB 3.3Å; C302-L306 PolarHBondContact O-N 2.87Å |
| 303 | G | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.1 | -45.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T299 V300 V301 V305 L306 H307 L442 | T299-G303 PolarHBondContact O-N 3.12Å; V300-G303 PolarHBondContact O-N 3.33Å; V301-G303 VanDerWaalsContact C-N 3.35Å; V301-G303 PolarHBondContact O-N 3.38Å; G303-V305 PolarHBondContact O-N 3.39Å; G303-L306 PolarHBondContact O-N 2.6Å; G303-H307 WeakPolarHBondContact O-CB 3.39Å; G303-H307 PolarHBondContact O-N 3.08Å; G303-L442 WeakPolarHBondContact O-CD1 3.27Å |
| 304 | L | 94.8 | Very high | 94.5 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.2 | -40 | 176.7 | -69.5 | 174.6 | 0 | 0 | 0 | 112.4 | V300 V301 G308 G439 L442 F516 R517 I520 | V300-L304 HydrophobicContact CG1-CD1 3.9Å; V300-L304 HydrophobicContact CG1-CG 4.31Å; V300-L304 VanDerWaalsContact O-CG 3.31Å; V300-L304 WeakPolarHBondContact O-CG 3.49Å; V300-L304 PolarHBondContact O-N 3.34Å; V301-L304 PolarHBondContact O-N 2.97Å; L304-G308 WeakPolarHBondContact O-CA 3.22Å; L304-G308 PolarHBondContact O-N 3.1Å; L304-G439 VanDerWaalsContact CD2-CA 3.47Å; L304-L442 HydrophobicContact CD2-CD1 4.48Å; L304-L442 HydrophobicContact CD2-CD2 4.1Å; L304-L442 HydrophobicContact CG-CD2 4.18Å; L304-F516 HydrophobicContact CD1-CB 3.62Å; L304-R517 HydrophobicContact CD1-CG 3.93Å; L304-R517 HydrophobicContact CD2-CG 4.46Å; L304-I520 HydrophobicContact CB-CG1 4.08Å; L304-I520 HydrophobicContact CD2-CB 4.49Å; L304-I520 HydrophobicContact CD2-CG1 4.14Å |
| 305 | V | 95.1 | Very high | 94.8 | Very high | 58 Ų | 58 | 38 Ų | 38 | 35% | 0.352 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.7 | -45 | 175.3 | 165.7 | 0 | 0 | 0 | 0 | 110.7 | V301 C302 G303 L309 F310 | V301-V305 HydrophobicContact CG1-CG2 4.33Å; V301-V305 WeakPolarHBondContact O-CB 3.02Å; V301-V305 VanDerWaalsContact O-CG2 3.27Å; V301-V305 WeakPolarHBondContact O-CG2 3.25Å; V301-V305 PolarHBondContact O-N 3.26Å; C302-V305 PolarHBondContact O-N 3Å; G303-V305 PolarHBondContact O-N 3.39Å; V305-L309 HydrophobicContact CG1-CD1 4.16Å; V305-L309 WeakPolarHBondContact O-CB 3.33Å; V305-L309 PolarHBondContact O-N 3.48Å; V305-F310 HydrophobicContact CG1-CE2 4.25Å |
| 306 | L | 96.5 | Very high | 95 | Very high | 62 Ų | 62 | 34.7 Ų | 34.7 | 33% | 0.325 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.2 | -49 | 178.4 | -176.7 | 61.8 | 0 | 0 | 0 | 111.1 | V106 M110 C302 G303 F310 I311 | V106-L306 HydrophobicContact CG1-CB 4.42Å; V106-L306 HydrophobicContact CG1-CD2 3.88Å; V106-L306 HydrophobicContact CG1-CG 4.27Å; M110-L306 HydrophobicContact CE-CB 4.24Å; M110-L306 HydrophobicContact CE-CD2 3.7Å; C302-L306 VanDerWaalsContact O-CB 3.31Å; C302-L306 WeakPolarHBondContact O-CB 3.3Å; C302-L306 PolarHBondContact O-N 2.87Å; G303-L306 PolarHBondContact O-N 2.6Å; L306-F310 HydrophobicContact CD1-CB 4.31Å; L306-F310 HydrophobicContact CD1-CD2 4.2Å; L306-F310 HydrophobicContact CD1-CG 4.35Å; L306-F310 VanDerWaalsContact O-CB 3.3Å; L306-F310 WeakPolarHBondContact O-CB 3.45Å; L306-F310 PolarHBondContact O-N 3.08Å; L306-I311 HydrophobicContact CG-CD1 4.48Å; L306-I311 PolarHBondContact O-N 3.38Å; L306-I311 VanDerWaalsContact O-N 3.14Å |
| 307 | H | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -64.3 | -51.1 | 177.6 | -174.5 | 65.4 | 0 | 0 | 0 | 112 | T99 G303 I311 L312 D438 L442 | T99-H307 PolarHBondContact O-CE1 3.45Å; G303-H307 WeakPolarHBondContact O-CB 3.39Å; G303-H307 PolarHBondContact O-N 3.08Å; H307-I311 PolarHBondContact O-N 3.05Å; H307-L312 PolarHBondContact O-N 3.44Å; H307-D438 IonicContact CD2-OD2 2.8Å; H307-D438 IonicContact CE1-OD2 3.44Å; H307-D438 IonicContact NE2-OD2 3.03Å; H307-D438 PolarHBondContact NE2-OD2 3.45Å; H307-L442 HydrophobicContact CB-CD1 4.07Å |
| 308 | G | 93.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | I | π-helix | trans | -71 | -43.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L304 P313 L523 | L304-G308 WeakPolarHBondContact O-CA 3.22Å; L304-G308 PolarHBondContact O-N 3.1Å; G308-P313 VanDerWaalsContact O-CD 3.23Å; G308-P313 WeakPolarHBondContact O-CD 3.42Å; G308-L523 VanDerWaalsContact O-CD2 3.23Å; G308-L523 WeakPolarHBondContact O-CD2 3.41Å |
| 309 | L | 92.8 | Very high | 95.4 | Very high | 93 Ų | 93 | 42.8 Ų | 42.8 | 49% | 0.487 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -98.7 | -14.8 | -173.5 | -59.7 | -172.4 | 0 | 0 | 0 | 113.8 | V305 P313 | V305-L309 HydrophobicContact CG1-CD1 4.16Å; V305-L309 WeakPolarHBondContact O-CB 3.33Å; V305-L309 PolarHBondContact O-N 3.48Å; L309-P313 WeakPolarHBondContact O-CG 3.27Å |
| 310 | F | 95.4 | Very high | 95.3 | Very high | 116 Ų | 116 | 43 Ų | 43 | 51% | 0.509 | 22% | 0.218 | S | C | . | . | I | π-helix | trans | -117.4 | -58.5 | 179.5 | -57.4 | -96.5 | 0 | 0 | 0 | 111.6 | V305 L306 P313 L314 | V305-F310 HydrophobicContact CG1-CE2 4.25Å; L306-F310 HydrophobicContact CD1-CB 4.31Å; L306-F310 HydrophobicContact CD1-CD2 4.2Å; L306-F310 HydrophobicContact CD1-CG 4.35Å; L306-F310 VanDerWaalsContact O-CB 3.3Å; L306-F310 WeakPolarHBondContact O-CB 3.45Å; L306-F310 PolarHBondContact O-N 3.08Å; F310-P313 WeakPolarHBondContact O-CD 3.44Å; F310-L314 WeakPolarHBondContact O-CB 3.42Å; F310-L314 WeakPolarHBondContact O-CD1 3.02Å; F310-L314 WeakPolarHBondContact O-CG 3.1Å; F310-L314 PolarHBondContact O-N 3.31Å |
| 311 | I | 96.3 | Very high | 95.3 | Very high | 49 Ų | 49 | 49.9 Ų | 49.9 | 25% | 0.251 | 25% | 0.249 | S | C | . | . | I | π-helix | trans | -68.3 | -51.2 | -171.4 | -62.1 | 174.2 | 0 | 0 | 0 | 112.1 | V106 L306 H307 L314 L315 | V106-I311 HydrophobicContact CB-CD1 4.39Å; V106-I311 HydrophobicContact CG1-CD1 4.39Å; V106-I311 HydrophobicContact CG2-CD1 3.2Å; L306-I311 HydrophobicContact CG-CD1 4.48Å; L306-I311 PolarHBondContact O-N 3.38Å; L306-I311 VanDerWaalsContact O-N 3.14Å; H307-I311 PolarHBondContact O-N 3.05Å; I311-L314 PolarHBondContact O-N 3.25Å; I311-L315 WeakPolarHBondContact O-CB 3.31Å; I311-L315 PolarHBondContact O-N 3.02Å |
| 312 | L | 95.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 179.1 | -63.4 | 176.8 | 0 | 0 | 0 | 112.5 | T99 H307 L315 Y316 L527 | T99-L312 HydrophobicContact CG2-CD2 3.89Å; H307-L312 PolarHBondContact O-N 3.44Å; L312-L315 PolarHBondContact O-N 3.45Å; L312-Y316 PolarHBondContact O-N 3.14Å; L312-L527 HydrophobicContact CB-CD1 3.64Å |
| 313 | P | 95.6 | Very high | 95 | Very high | 7 Ų | 7 | 55.4 Ų | 55.4 | 5% | 0.045 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.6 | -38.3 | 174.8 | -28.7 | 41.1 | 0 | 0 | 0 | 113.6 | G308 L309 F310 Y316 F317 P324 I328 | G308-P313 VanDerWaalsContact O-CD 3.23Å; G308-P313 WeakPolarHBondContact O-CD 3.42Å; L309-P313 WeakPolarHBondContact O-CG 3.27Å; F310-P313 WeakPolarHBondContact O-CD 3.44Å; P313-Y316 WeakPolarHBondContact O-CB 3.47Å; P313-Y316 PolarHBondContact O-N 3.44Å; P313-F317 WeakPolarHBondContact O-CB 3.35Å; P313-F317 PolarHBondContact O-N 2.62Å; P313-P324 HydrophobicContact CB-CB 3.79Å; P313-P324 HydrophobicContact CB-CG 3.8Å; P313-P324 WeakPolarHBondContact O-CG 3.44Å; P313-I328 HydrophobicContact CB-CD1 4.39Å; P313-I328 HydrophobicContact CG-CD1 3.85Å |
| 314 | L | 95.6 | Very high | 94.9 | Very high | 89 Ų | 89 | 56 Ų | 56 | 47% | 0.466 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.5 | -45.5 | 174.5 | -77.1 | 168.8 | 0 | 0 | 0 | 110.8 | F310 I311 Y316 F317 F318 | F310-L314 WeakPolarHBondContact O-CB 3.42Å; F310-L314 WeakPolarHBondContact O-CD1 3.02Å; F310-L314 WeakPolarHBondContact O-CG 3.1Å; F310-L314 PolarHBondContact O-N 3.31Å; I311-L314 PolarHBondContact O-N 3.25Å; L314-Y316 VanDerWaalsContact C-N 3.33Å; L314-Y316 PolarHBondContact O-N 3.14Å; L314-F317 PolarHBondContact O-N 3.06Å; L314-F317 VanDerWaalsContact O-N 3.16Å; L314-F318 HydrophobicContact CB-CD2 4.4Å; L314-F318 HydrophobicContact CB-CE2 4.33Å; L314-F318 HydrophobicContact CD2-CE2 4.26Å; L314-F318 WeakPolarHBondContact O-CD2 3.25Å; L314-F318 PolarHBondContact O-N 2.87Å |
| 315 | L | 94.8 | Very high | 94.8 | Very high | 40 Ų | 40 | 61.1 Ų | 61.1 | 21% | 0.209 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.3 | -45.2 | 176.5 | -173.9 | 62.8 | 0 | 0 | 0 | 111.2 | Y95 T99 I311 L312 F317 F318 I319 | Y95-L315 HydrophobicContact CD2-CD2 4.36Å; Y95-L315 HydrophobicContact CE2-CD2 3.49Å; Y95-L315 VanDerWaalsContact CE2-CD2 3.49Å; Y95-L315 HydrophobicContact CE2-CG 4.18Å; T99-L315 HydrophobicContact CG2-CD2 3.67Å; I311-L315 WeakPolarHBondContact O-CB 3.31Å; I311-L315 PolarHBondContact O-N 3.02Å; L312-L315 PolarHBondContact O-N 3.45Å; L315-F317 PolarHBondContact O-N 3.24Å; L315-F318 PolarHBondContact O-N 3.47Å; L315-I319 HydrophobicContact CD1-CD1 3.82Å; L315-I319 HydrophobicContact CD1-CG1 4.43Å; L315-I319 HydrophobicContact CG-CD1 3.94Å; L315-I319 WeakPolarHBondContact O-CG1 3.26Å; L315-I319 PolarHBondContact O-N 3.24Å; L315-I319 VanDerWaalsContact O-N 3.13Å |
| 316 | Y | 95.9 | Very high | 94.6 | Very high | 13 Ų | 13 | 63.1 Ų | 63.1 | 5% | 0.051 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -57.5 | -46.9 | 173.5 | -178.7 | -83 | 0 | 0 | 0 | 111.9 | L312 P313 L314 T320 K322 P324 F327 L527 I531 | L312-Y316 PolarHBondContact O-N 3.14Å; P313-Y316 WeakPolarHBondContact O-CB 3.47Å; P313-Y316 PolarHBondContact O-N 3.44Å; L314-Y316 VanDerWaalsContact C-N 3.33Å; L314-Y316 PolarHBondContact O-N 3.14Å; Y316-T320 HydrophobicContact CD1-CG2 4.42Å; Y316-T320 WeakPolarHBondContact CD1-OG1 3.23Å; Y316-T320 HydrophobicContact CD2-CG2 4.17Å; Y316-T320 HydrophobicContact CE1-CG2 4.23Å; Y316-T320 WeakPolarHBondContact CE1-OG1 3.38Å; Y316-T320 HydrophobicContact CE2-CG2 3.95Å; Y316-T320 HydrophobicContact CG-CG2 4.38Å; Y316-T320 WeakPolarHBondContact O-CB 3.23Å; Y316-T320 WeakPolarHBondContact O-CG2 3.15Å; Y316-T320 PolarHBondContact O-N 3.46Å; Y316-T320 PolarHBondContact O-OG1 3Å; Y316-K322 HydrophobicContact CE1-CB 4.14Å; Y316-P324 HydrophobicContact CD1-CB 3.69Å; Y316-P324 HydrophobicContact CE1-CB 4.41Å; Y316-P324 HydrophobicContact CG-CB 4.25Å; Y316-F327 HydrophobicContact CE1-CB 4.46Å; Y316-F327 HydrophobicContact CE2-CD1 4.48Å; Y316-F327 HydrophobicContact CE2-CD2 4.23Å; Y316-F327 HydrophobicContact CE2-CE2 4.47Å; Y316-F327 HydrophobicContact CE2-CG 4.22Å; Y316-F327 WeakPolarHBondContact OH-CD2 3.34Å; Y316-L527 HydrophobicContact CD2-CB 4.47Å; Y316-L527 HydrophobicContact CD2-CD2 3.7Å; Y316-L527 HydrophobicContact CE2-CD2 4.32Å; Y316-L527 HydrophobicContact CG-CD2 4.03Å; Y316-I531 HydrophobicContact CD2-CD1 4.19Å; Y316-I531 HydrophobicContact CD2-CG1 3.68Å; Y316-I531 HydrophobicContact CE2-CG1 4.3Å; Y316-I531 HydrophobicContact CG-CG1 4.41Å |
| 317 | F | 96.6 | Very high | 94.5 | Very high | 92 Ų | 92 | 60.8 Ų | 60.8 | 40% | 0.404 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 178.9 | 176.1 | -102 | 0 | 0 | 0 | 111.9 | P313 L314 L315 I319 K321 K322 P324 | P313-F317 WeakPolarHBondContact O-CB 3.35Å; P313-F317 PolarHBondContact O-N 2.62Å; L314-F317 PolarHBondContact O-N 3.06Å; L314-F317 VanDerWaalsContact O-N 3.16Å; L315-F317 PolarHBondContact O-N 3.24Å; F317-I319 VanDerWaalsContact C-N 3.32Å; F317-I319 PolarHBondContact O-N 3.37Å; F317-K321 WeakPolarHBondContact O-CA 3.16Å; F317-K321 PolarHBondContact O-N 3.33Å; F317-K322 WeakPolarHBondContact CD2-O 3.48Å; F317-P324 HydrophobicContact CB-CG 4.41Å |
| 318 | F | 95.9 | Very high | 94.2 | Very high | 124 Ų | 124 | 61.9 Ų | 61.9 | 54% | 0.544 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.6 | -37.2 | -177.6 | -80.2 | -63.3 | 0 | 0 | 0 | 112.8 | L314 L315 K321 | L314-F318 HydrophobicContact CB-CD2 4.4Å; L314-F318 HydrophobicContact CB-CE2 4.33Å; L314-F318 HydrophobicContact CD2-CE2 4.26Å; L314-F318 WeakPolarHBondContact O-CD2 3.25Å; L314-F318 PolarHBondContact O-N 2.87Å; L315-F318 PolarHBondContact O-N 3.47Å; F318-K321 WeakPolarHBondContact O-CE 3.29Å; F318-K321 PolarHBondContact O-NZ 3.07Å |
| 319 | I | 94.8 | Very high | 94.1 | Very high | 58 Ų | 58 | 71.8 Ų | 71.8 | 30% | 0.297 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -81 | -50.1 | -179.1 | -63 | 170.9 | 0 | 0 | 0 | 111.6 | L315 F317 I531 I535 | L315-I319 HydrophobicContact CD1-CD1 3.82Å; L315-I319 HydrophobicContact CD1-CG1 4.43Å; L315-I319 HydrophobicContact CG-CD1 3.94Å; L315-I319 WeakPolarHBondContact O-CG1 3.26Å; L315-I319 PolarHBondContact O-N 3.24Å; L315-I319 VanDerWaalsContact O-N 3.13Å; F317-I319 VanDerWaalsContact C-N 3.32Å; F317-I319 PolarHBondContact O-N 3.37Å; I319-I531 HydrophobicContact CD1-CD1 4.35Å; I319-I531 HydrophobicContact CD1-CG2 4.17Å; I319-I531 HydrophobicContact CG2-CG2 3.88Å; I319-I535 HydrophobicContact CG2-CD1 3.89Å; I319-I535 HydrophobicContact CG2-CG1 4.06Å |
| 320 | T | 93.8 | Very high | 93.7 | Very high | 4 Ų | 4 | 67.8 Ų | 67.8 | 3% | 0.025 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -87.4 | -16.6 | -172.9 | 69.1 | 0 | 0 | 0 | 0 | 113.7 | Y316 K322 I531 H534 | Y316-T320 HydrophobicContact CD1-CG2 4.42Å; Y316-T320 WeakPolarHBondContact CD1-OG1 3.23Å; Y316-T320 HydrophobicContact CD2-CG2 4.17Å; Y316-T320 HydrophobicContact CE1-CG2 4.23Å; Y316-T320 WeakPolarHBondContact CE1-OG1 3.38Å; Y316-T320 HydrophobicContact CE2-CG2 3.95Å; Y316-T320 HydrophobicContact CG-CG2 4.38Å; Y316-T320 WeakPolarHBondContact O-CB 3.23Å; Y316-T320 WeakPolarHBondContact O-CG2 3.15Å; Y316-T320 PolarHBondContact O-N 3.46Å; Y316-T320 PolarHBondContact O-OG1 3Å; T320-K322 PolarHBondContact O-N 3.18Å; T320-K322 VanDerWaalsContact O-N 3.13Å; T320-K322 PolarHBondContact OG1-N 3.24Å; T320-I531 HydrophobicContact CG2-CG1 4.05Å; T320-H534 HydrophobicContact CG2-CB 3.84Å; T320-H534 PolarHBondContact O-CE1 2.91Å |
| 321 | K | 94.1 | Very high | 93.3 | Very high | 146 Ų | 146 | 62.3 Ų | 62.3 | 64% | 0.635 | 30% | 0.297 | S | S | * | . | trans | 53.7 | 23.4 | -169.4 | -53.8 | -59.3 | -174.2 | -166.9 | 0 | 113.4 | F317 F318 | F317-K321 WeakPolarHBondContact O-CA 3.16Å; F317-K321 PolarHBondContact O-N 3.33Å; F318-K321 WeakPolarHBondContact O-CE 3.29Å; F318-K321 PolarHBondContact O-NZ 3.07Å | ||
| 322 | K | 91.7 | Very high | 92.7 | Very high | 117 Ų | 117 | 64 Ų | 64 | 51% | 0.509 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -111.8 | 154.1 | 177.7 | -67 | -178.7 | -178.8 | -174.8 | 0 | 110.8 | Y316 F317 T320 P324 | Y316-K322 HydrophobicContact CE1-CB 4.14Å; F317-K322 WeakPolarHBondContact CD2-O 3.48Å; T320-K322 PolarHBondContact O-N 3.18Å; T320-K322 VanDerWaalsContact O-N 3.13Å; T320-K322 PolarHBondContact OG1-N 3.24Å; K322-P324 VanDerWaalsContact O-CD 3.3Å; K322-P324 WeakPolarHBondContact O-CD 3.5Å |
| 323 | N | 93.4 | Very high | 91.7 | Very high | 92 Ų | 92 | 69.5 Ų | 69.5 | 49% | 0.492 | 33% | 0.332 | S | S | . | . | trans | -67.7 | 115.8 | 178.5 | -173.2 | -20.5 | 0 | 0 | 0 | 111 | I325 V326 | N323-I325 VanDerWaalsContact C-N 3.31Å; N323-I325 PolarHBondContact O-N 3.01Å; N323-I325 WeakPolarHBondContact OD1-CB 3.34Å; N323-I325 PolarHBondContact OD1-N 3.33Å; N323-V326 HydrophobicContact CB-CG2 4.21Å | ||
| 324 | P | 93.9 | Very high | 90.7 | Very high | 12 Ų | 12 | 69.2 Ų | 69.2 | 8% | 0.078 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -69.4 | -26.9 | -178.2 | 28.5 | -35.9 | 0 | 0 | 0 | 113 | P313 Y316 F317 K322 V326 F327 I328 | P313-P324 HydrophobicContact CB-CB 3.79Å; P313-P324 HydrophobicContact CB-CG 3.8Å; P313-P324 WeakPolarHBondContact O-CG 3.44Å; Y316-P324 HydrophobicContact CD1-CB 3.69Å; Y316-P324 HydrophobicContact CE1-CB 4.41Å; Y316-P324 HydrophobicContact CG-CB 4.25Å; F317-P324 HydrophobicContact CB-CG 4.41Å; K322-P324 VanDerWaalsContact O-CD 3.3Å; K322-P324 WeakPolarHBondContact O-CD 3.5Å; P324-V326 VanDerWaalsContact C-N 3.3Å; P324-V326 PolarHBondContact O-N 3.36Å; P324-F327 WeakPolarHBondContact O-CB 3.34Å; P324-F327 PolarHBondContact O-N 3.05Å; P324-F327 VanDerWaalsContact O-N 3.15Å; P324-I328 WeakPolarHBondContact O-CG1 3.47Å; P324-I328 PolarHBondContact O-N 2.94Å |
| 325 | I | 92.4 | Very high | 90 | Very high | 110 Ų | 110 | 65.6 Ų | 65.6 | 56% | 0.564 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -66 | -36.6 | -176.6 | -55.4 | -58 | 0 | 0 | 0 | 111.1 | N323 F327 I328 R329 | N323-I325 VanDerWaalsContact C-N 3.31Å; N323-I325 PolarHBondContact O-N 3.01Å; N323-I325 WeakPolarHBondContact OD1-CB 3.34Å; N323-I325 PolarHBondContact OD1-N 3.33Å; I325-F327 VanDerWaalsContact C-N 3.32Å; I325-I328 PolarHBondContact O-N 3.46Å; I325-R329 WeakPolarHBondContact O-CB 3.35Å; I325-R329 PolarHBondContact O-N 2.96Å |
| 326 | V | 91.6 | Very high | 89 | Confident | 100 Ų | 100 | 68.6 Ų | 68.6 | 61% | 0.606 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -63.6 | -42.3 | 175.3 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | N323 P324 R329 G330 | N323-V326 HydrophobicContact CB-CG2 4.21Å; P324-V326 VanDerWaalsContact C-N 3.3Å; P324-V326 PolarHBondContact O-N 3.36Å; V326-R329 WeakPolarHBondContact O-CB 3.43Å; V326-R329 PolarHBondContact O-N 3.2Å; V326-G330 PolarHBondContact O-N 3.47Å |
| 327 | F | 93.2 | Very high | 87.8 | Confident | 13 Ų | 13 | 69.5 Ų | 69.5 | 6% | 0.057 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -64.9 | -44.6 | 177.1 | -172.7 | -86.8 | 0 | 0 | 0 | 112.1 | Y316 P324 I325 R329 G330 I331 L414 N418 I420 A526 L527 | Y316-F327 HydrophobicContact CE1-CB 4.46Å; Y316-F327 HydrophobicContact CE2-CD1 4.48Å; Y316-F327 HydrophobicContact CE2-CD2 4.23Å; Y316-F327 HydrophobicContact CE2-CE2 4.47Å; Y316-F327 HydrophobicContact CE2-CG 4.22Å; Y316-F327 WeakPolarHBondContact OH-CD2 3.34Å; P324-F327 WeakPolarHBondContact O-CB 3.34Å; P324-F327 PolarHBondContact O-N 3.05Å; P324-F327 VanDerWaalsContact O-N 3.15Å; I325-F327 VanDerWaalsContact C-N 3.32Å; F327-R329 VanDerWaalsContact C-N 3.3Å; F327-R329 PolarHBondContact O-N 2.9Å; F327-G330 PolarHBondContact O-N 3.26Å; F327-G330 VanDerWaalsContact O-N 3.13Å; F327-I331 HydrophobicContact CD1-CD1 4.4Å; F327-I331 HydrophobicContact CE1-CD1 4.23Å; F327-I331 PolarHBondContact O-N 3.18Å; F327-L414 HydrophobicContact CE1-CD2 4.09Å; F327-L414 HydrophobicContact CE2-CD2 4.23Å; F327-L414 HydrophobicContact CZ-CD2 3.45Å; F327-L414 VanDerWaalsContact CZ-CD2 3.45Å; F327-N418 HydrophobicContact CD2-CB 4.06Å; F327-N418 VanDerWaalsContact CD2-ND2 3.31Å; F327-N418 WeakPolarHBondContact CD2-ND2 3.1Å; F327-N418 HydrophobicContact CE2-CB 3.79Å; F327-N418 VanDerWaalsContact CE2-ND2 3.29Å; F327-N418 WeakPolarHBondContact CE2-ND2 3.36Å; F327-N418 WeakPolarHBondContact CG-ND2 3.44Å; F327-N418 HydrophobicContact CZ-CB 4.47Å; F327-N418 WeakPolarHBondContact CZ-ND2 3.44Å; F327-N418 PolarHBondContact O-ND2 3.45Å; F327-N418 PolarHBondContact O-OD1 3.18Å; F327-I420 HydrophobicContact CE2-CD1 4.12Å; F327-I420 HydrophobicContact CE2-CG1 4.24Å; F327-A526 HydrophobicContact CE1-CB 4.46Å; F327-A526 WeakPolarHBondContact CE1-O 3.04Å; F327-A526 WeakPolarHBondContact CZ-O 3.31Å; F327-L527 HydrophobicContact CD1-CD2 3.67Å; F327-L527 HydrophobicContact CE1-CD2 3.99Å |
| 328 | I | 92.2 | Very high | 86.6 | Confident | 23 Ų | 23 | 65.1 Ų | 65.1 | 12% | 0.118 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.2 | -37.6 | 178.5 | -67.6 | 168.9 | 0 | 0 | 0 | 111 | P313 P324 I325 G330 I331 L332 L335 L523 L527 | P313-I328 HydrophobicContact CB-CD1 4.39Å; P313-I328 HydrophobicContact CG-CD1 3.85Å; P324-I328 WeakPolarHBondContact O-CG1 3.47Å; P324-I328 PolarHBondContact O-N 2.94Å; I325-I328 PolarHBondContact O-N 3.46Å; I328-G330 PolarHBondContact O-N 2.88Å; I328-I331 CarbonylContact O-C 3.38Å; I328-I331 VanDerWaalsContact O-CG1 3.28Å; I328-I331 WeakPolarHBondContact O-CG1 3.49Å; I328-I331 PolarHBondContact O-N 3.37Å; I328-I331 VanDerWaalsContact O-N 3.1Å; I328-L332 PolarHBondContact O-N 2.97Å; I328-L335 HydrophobicContact CG2-CD1 4.07Å; I328-L523 HydrophobicContact CD1-CD1 4.41Å; I328-L523 HydrophobicContact CG1-CD1 4.06Å; I328-L527 HydrophobicContact CG1-CD2 4.39Å |
| 329 | R | 90.2 | Very high | 85.6 | Confident | 208 Ų | 208 | 61.7 Ų | 61.7 | 79% | 0.785 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -58.3 | -37.5 | 174.7 | -173.1 | 178 | 176.2 | 170.7 | -0.9 | 112 | I325 V326 F327 I331 L332 | I325-R329 WeakPolarHBondContact O-CB 3.35Å; I325-R329 PolarHBondContact O-N 2.96Å; V326-R329 WeakPolarHBondContact O-CB 3.43Å; V326-R329 PolarHBondContact O-N 3.2Å; F327-R329 VanDerWaalsContact C-N 3.3Å; F327-R329 PolarHBondContact O-N 2.9Å; R329-I331 VanDerWaalsContact C-N 3.32Å; R329-I331 PolarHBondContact O-N 3.41Å; R329-L332 WeakPolarHBondContact O-CB 3.3Å; R329-L332 PolarHBondContact O-N 2.99Å |
| 330 | G | 84 | Confident | 83.9 | Confident | 9 Ų | 9 | 61.7 Ų | 61.7 | 9% | 0.093 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.4 | -26.8 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | V326 F327 I328 N417 | V326-G330 PolarHBondContact O-N 3.47Å; F327-G330 PolarHBondContact O-N 3.26Å; F327-G330 VanDerWaalsContact O-N 3.13Å; I328-G330 PolarHBondContact O-N 2.88Å; G330-N417 WeakPolarHBondContact O-CB 3.3Å; G330-N417 PolarHBondContact O-ND2 2.99Å |
| 331 | I | 89.1 | Confident | 82 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -104.4 | 3.3 | 178.1 | 59 | 170.5 | 0 | 0 | 0 | 113.7 | F327 I328 R329 Q333 A334 L335 C413 L414 L523 A526 | F327-I331 HydrophobicContact CD1-CD1 4.4Å; F327-I331 HydrophobicContact CE1-CD1 4.23Å; F327-I331 PolarHBondContact O-N 3.18Å; I328-I331 CarbonylContact O-C 3.38Å; I328-I331 VanDerWaalsContact O-CG1 3.28Å; I328-I331 WeakPolarHBondContact O-CG1 3.49Å; I328-I331 PolarHBondContact O-N 3.37Å; I328-I331 VanDerWaalsContact O-N 3.1Å; R329-I331 VanDerWaalsContact C-N 3.32Å; R329-I331 PolarHBondContact O-N 3.41Å; I331-Q333 PolarHBondContact O-N 3.4Å; I331-Q333 VanDerWaalsContact O-N 3.14Å; I331-A334 WeakPolarHBondContact O-CA 3.3Å; I331-A334 WeakPolarHBondContact O-CB 3.36Å; I331-A334 PolarHBondContact O-N 3.36Å; I331-L335 HydrophobicContact CD1-CD1 4.37Å; I331-L335 HydrophobicContact CG1-CD1 4.29Å; I331-L335 PolarHBondContact O-N 3.49Å; I331-L335 VanDerWaalsContact O-N 3.12Å; I331-C413 HydrophobicContact CG2-CB 4.1Å; I331-L414 HydrophobicContact CG2-CD2 3.77Å; I331-L414 HydrophobicContact CG2-CG 4.13Å; I331-L523 HydrophobicContact CD1-CD1 3.81Å; I331-A526 HydrophobicContact CD1-CB 3.44Å; I331-A526 VanDerWaalsContact CD1-CB 3.44Å; I331-A526 HydrophobicContact CG2-CB 4.25Å |
| 332 | L | 83.4 | Confident | 79.8 | Confident | 85 Ų | 85 | 55.8 Ų | 55.8 | 45% | 0.445 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.3 | -37.1 | -175.5 | -177.8 | 62.8 | 0 | 0 | 0 | 112.6 | I328 R329 A334 L335 L336 | I328-L332 PolarHBondContact O-N 2.97Å; R329-L332 WeakPolarHBondContact O-CB 3.3Å; R329-L332 PolarHBondContact O-N 2.99Å; L332-A334 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 3.36Å; L332-L335 PolarHBondContact O-N 3.47Å; L332-L336 HydrophobicContact CD1-CG 4.34Å; L332-L336 HydrophobicContact CG-CD1 4.21Å; L332-L336 HydrophobicContact CG-CG 4.39Å; L332-L336 WeakPolarHBondContact O-CG 3.38Å; L332-L336 PolarHBondContact O-N 2.98Å |
| 333 | Q | 74.3 | Confident | 77.3 | Confident | 117 Ų | 117 | 51.6 Ų | 51.6 | 55% | 0.547 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 175.1 | -179.3 | 177.8 | -11.1 | 0 | 0 | 112 | I331 I337 | I331-Q333 PolarHBondContact O-N 3.4Å; I331-Q333 VanDerWaalsContact O-N 3.14Å; Q333-I337 HydrophobicContact CG-CD1 4.01Å; Q333-I337 WeakPolarHBondContact O-CB 3.5Å; Q333-I337 WeakPolarHBondContact O-CD1 3.15Å; Q333-I337 WeakPolarHBondContact O-CG1 3.39Å; Q333-I337 PolarHBondContact O-N 3.49Å; Q333-I337 VanDerWaalsContact O-N 3.08Å |
| 334 | A | 73.4 | Confident | 74.6 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.6 | -38 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I331 L332 I337 A338 I409 | I331-A334 WeakPolarHBondContact O-CA 3.3Å; I331-A334 WeakPolarHBondContact O-CB 3.36Å; I331-A334 PolarHBondContact O-N 3.36Å; L332-A334 VanDerWaalsContact C-N 3.34Å; L332-A334 PolarHBondContact O-N 3.36Å; A334-I337 CarbonylContact O-C 3.46Å; A334-I337 PolarHBondContact O-N 2.86Å; A334-A338 WeakPolarHBondContact O-CB 3.41Å; A334-A338 PolarHBondContact O-N 3.08Å; A334-I409 HydrophobicContact CB-CG2 4.23Å |
| 335 | L | 80.8 | Confident | 71.9 | Confident | 12 Ų | 12 | 56.4 Ų | 56.4 | 6% | 0.063 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.3 | -45.4 | 177.7 | -61.3 | 176.7 | 0 | 0 | 0 | 112.7 | I328 I331 L332 I337 A338 L339 M519 V522 L523 | I328-L335 HydrophobicContact CG2-CD1 4.07Å; I331-L335 HydrophobicContact CD1-CD1 4.37Å; I331-L335 HydrophobicContact CG1-CD1 4.29Å; I331-L335 PolarHBondContact O-N 3.49Å; I331-L335 VanDerWaalsContact O-N 3.12Å; L332-L335 PolarHBondContact O-N 3.47Å; L335-I337 PolarHBondContact O-N 3.43Å; L335-A338 PolarHBondContact O-N 3Å; L335-A338 VanDerWaalsContact O-N 3.17Å; L335-L339 WeakPolarHBondContact O-CB 3.23Å; L335-L339 PolarHBondContact O-N 2.88Å; L335-M519 HydrophobicContact CB-CG 4.23Å; L335-M519 HydrophobicContact CD2-CG 4.23Å; L335-V522 HydrophobicContact CD2-CG1 4.25Å; L335-L523 HydrophobicContact CD1-CD1 4.09Å; L335-L523 HydrophobicContact CD2-CB 3.76Å; L335-L523 HydrophobicContact CD2-CD1 4.33Å |
| 336 | L | 75.3 | Confident | 69 | Low | 103 Ų | 103 | 56.2 Ų | 56.2 | 54% | 0.539 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.1 | -38 | 174.9 | -71.7 | 174.7 | 0 | 0 | 0 | 111.2 | L332 A340 | L332-L336 HydrophobicContact CD1-CG 4.34Å; L332-L336 HydrophobicContact CG-CD1 4.21Å; L332-L336 HydrophobicContact CG-CG 4.39Å; L332-L336 WeakPolarHBondContact O-CG 3.38Å; L332-L336 PolarHBondContact O-N 2.98Å; L336-A340 VanDerWaalsContact O-CB 3.29Å; L336-A340 WeakPolarHBondContact O-CB 3.33Å; L336-A340 PolarHBondContact O-N 3.36Å |
| 337 | I | 69.7 | Low | 66.1 | Low | 32 Ų | 32 | 55.2 Ų | 55.2 | 16% | 0.164 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.8 | -47.6 | 174 | -71.1 | 172.9 | 0 | 0 | 0 | 109.5 | Q333 A334 L335 L339 A340 T341 T406 I409 | Q333-I337 HydrophobicContact CG-CD1 4.01Å; Q333-I337 WeakPolarHBondContact O-CB 3.5Å; Q333-I337 WeakPolarHBondContact O-CD1 3.15Å; Q333-I337 WeakPolarHBondContact O-CG1 3.39Å; Q333-I337 PolarHBondContact O-N 3.49Å; Q333-I337 VanDerWaalsContact O-N 3.08Å; A334-I337 CarbonylContact O-C 3.46Å; A334-I337 PolarHBondContact O-N 2.86Å; L335-I337 PolarHBondContact O-N 3.43Å; I337-L339 VanDerWaalsContact C-N 3.29Å; I337-L339 PolarHBondContact O-N 3.44Å; I337-A340 CarbonylContact O-C 3.58Å; I337-A340 WeakPolarHBondContact O-CA 3.46Å; I337-A340 PolarHBondContact O-N 2.89Å; I337-T341 VanDerWaalsContact C-OG1 3.3Å; I337-T341 WeakPolarHBondContact CG2-OG1 3.36Å; I337-T341 WeakPolarHBondContact O-CA 3.4Å; I337-T341 WeakPolarHBondContact O-CB 3.47Å; I337-T341 PolarHBondContact O-N 2.93Å; I337-T341 PolarHBondContact O-OG1 3.06Å; I337-T406 HydrophobicContact CG2-CG2 4.07Å; I337-I409 HydrophobicContact CD1-CD1 3.76Å; I337-I409 HydrophobicContact CD1-CG2 4.08Å; I337-I409 HydrophobicContact CG2-CD1 4.05Å |
| 338 | A | 70.6 | Confident | 63.4 | Low | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -55 | -44.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A334 L335 A340 T341 T406 T518 V522 | A334-A338 WeakPolarHBondContact O-CB 3.41Å; A334-A338 PolarHBondContact O-N 3.08Å; L335-A338 PolarHBondContact O-N 3Å; L335-A338 VanDerWaalsContact O-N 3.17Å; A338-A340 VanDerWaalsContact C-N 3.3Å; A338-A340 PolarHBondContact O-N 3.08Å; A338-T341 PolarHBondContact O-N 3.33Å; A338-T406 HydrophobicContact CB-CG2 4.02Å; A338-T518 HydrophobicContact CB-CG2 4.35Å; A338-V522 HydrophobicContact CB-CB 4.23Å; A338-V522 HydrophobicContact CB-CG1 4.49Å; A338-V522 HydrophobicContact CB-CG2 3.93Å |
| 339 | L | 74.9 | Confident | 60.4 | Low | 53 Ų | 53 | 67 Ų | 67 | 28% | 0.277 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.6 | -38.6 | 174.2 | -171.3 | 71.2 | 0 | 0 | 0 | 112.3 | L335 I337 R515 F516 M519 | L335-L339 WeakPolarHBondContact O-CB 3.23Å; L335-L339 PolarHBondContact O-N 2.88Å; I337-L339 VanDerWaalsContact C-N 3.29Å; I337-L339 PolarHBondContact O-N 3.44Å; L339-R515 HydrophobicContact CD1-CB 4.03Å; L339-F516 HydrophobicContact CD1-CD1 4.11Å; L339-F516 HydrophobicContact CD1-CE1 4.15Å; L339-M519 HydrophobicContact CB-SD 4.26Å; L339-M519 HydrophobicContact CD1-SD 4.1Å |
| 340 | A | 59.4 | Low | 57.5 | Low | 57 Ų | 57 | 61 Ų | 61 | 47% | 0.471 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -85.6 | -22.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L336 I337 A338 | L336-A340 VanDerWaalsContact O-CB 3.29Å; L336-A340 WeakPolarHBondContact O-CB 3.33Å; L336-A340 PolarHBondContact O-N 3.36Å; I337-A340 CarbonylContact O-C 3.58Å; I337-A340 WeakPolarHBondContact O-CA 3.46Å; I337-A340 PolarHBondContact O-N 2.89Å; A338-A340 VanDerWaalsContact C-N 3.3Å; A338-A340 PolarHBondContact O-N 3.08Å |
| 341 | T | 53.4 | Low | 55 | Low | 12 Ų | 12 | 66.5 Ų | 66.5 | 7% | 0.074 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -93.2 | -0.2 | -164.8 | -53.9 | 0 | 0 | 0 | 0 | 112.7 | I337 A338 S343 R344 T406 | I337-T341 VanDerWaalsContact C-OG1 3.3Å; I337-T341 WeakPolarHBondContact CG2-OG1 3.36Å; I337-T341 WeakPolarHBondContact O-CA 3.4Å; I337-T341 WeakPolarHBondContact O-CB 3.47Å; I337-T341 PolarHBondContact O-N 2.93Å; I337-T341 PolarHBondContact O-OG1 3.06Å; A338-T341 PolarHBondContact O-N 3.33Å; T341-S343 PolarHBondContact O-N 3.25Å; T341-R344 HydrophobicContact CG2-CB 3.94Å; T341-R344 PolarHBondContact O-N 3.14Å; T341-R344 PolarHBondContact OG1-NE 3.44Å; T341-R344 PolarHBondContact OG1-NH2 3.31Å; T341-T406 HydrophobicContact CG2-CG2 4.38Å |
| 342 | S | 49.9 | Very low | 52.2 | Low | 15 Ų | 15 | 72.3 Ų | 72.3 | 11% | 0.105 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -11.8 | 163.7 | 98.7 | 0 | 0 | 0 | 0 | 113 | R515 | S342-R515 WeakPolarHBondContact OG-CG 3.39Š|
| 343 | S | 37.2 | Very low | 49.3 | Very low | 28 Ų | 28 | 72.9 Ų | 72.9 | 20% | 0.196 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -13.8 | 176.2 | -169 | 0 | 0 | 0 | 0 | 116.5 | N17 T341 | N17-S343 PolarHBondContact OD1-O 3.03Å; N17-S343 PolarHBondContact OD1-OG 3.45Å; T341-S343 PolarHBondContact O-N 3.25Å |
| 344 | R | 36.7 | Very low | 47.1 | Very low | 85 Ų | 85 | 72.8 Ų | 72.8 | 32% | 0.321 | 39% | 0.39 | S | S | . | . | trans | -108.9 | 91.2 | -161.8 | -63.3 | -168.4 | -81.9 | -155.1 | -3.2 | 113.5 | T341 N346 | T341-R344 HydrophobicContact CG2-CB 3.94Å; T341-R344 PolarHBondContact O-N 3.14Å; T341-R344 PolarHBondContact OG1-NE 3.44Å; T341-R344 PolarHBondContact OG1-NH2 3.31Å; R344-N346 PolarHBondContact O-N 2.62Å | ||
| 345 | K | 37.8 | Very low | 45.1 | Very low | 120 Ų | 120 | 84.7 Ų | 84.7 | 52% | 0.522 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -5.4 | 172.3 | -85.5 | -170.6 | 173.4 | -172.3 | 0 | 115.5 | ||
| 346 | N | 32.7 | Very low | 42.6 | Very low | 106 Ų | 106 | 88.1 Ų | 88.1 | 57% | 0.567 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.4 | 13.1 | -164.2 | -91.7 | -27.6 | 0 | 0 | 0 | 117.4 | R344 | R344-N346 PolarHBondContact O-N 2.62Š|
| 347 | Q | 30 | Very low | 40.1 | Very low | 79 Ų | 79 | 93 Ų | 93 | 37% | 0.369 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -80.8 | -15 | -175.7 | -157.5 | 163.7 | 1.6 | 0 | 0 | 114.8 | R349 A350 L351 | Q347-R349 PolarHBondContact O-N 3.44Å; Q347-A350 PolarHBondContact O-N 3.01Å; Q347-L351 HydrophobicContact CG-CD1 4.38Å |
| 348 | V | 36.5 | Very low | 38.2 | Very low | 62 Ų | 62 | 96.8 Ų | 96.8 | 38% | 0.376 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -72.7 | -28 | -175.4 | -173.5 | 0 | 0 | 0 | 0 | 112.7 | A350 Q352 | V348-A350 VanDerWaalsContact C-N 3.31Å; V348-A350 PolarHBondContact O-N 2.98Å; V348-Q352 PolarHBondContact O-OE1 3.33Å |
| 349 | R | 29.8 | Very low | 36.2 | Very low | 222 Ų | 222 | 103.3 Ų | 103.3 | 84% | 0.838 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -70.1 | -20.4 | 177.9 | -84.5 | -173.2 | -179.6 | -176.9 | 1.2 | 115 | Q347 | Q347-R349 PolarHBondContact O-N 3.44Š|
| 350 | A | 28.5 | Very low | 33.9 | Very low | 81 Ų | 81 | 106.6 Ų | 106.6 | 67% | 0.669 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -93.7 | -13.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q347 V348 | Q347-A350 PolarHBondContact O-N 3.01Å; V348-A350 VanDerWaalsContact C-N 3.31Å; V348-A350 PolarHBondContact O-N 2.98Å |
| 351 | L | 31.9 | Very low | 32.5 | Very low | 125 Ų | 125 | 108.3 Ų | 108.3 | 65% | 0.654 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | -4.4 | -176.3 | -78.9 | 154.9 | 0 | 0 | 0 | 113.5 | Q347 | Q347-L351 HydrophobicContact CG-CD1 4.38Š|
| 352 | Q | 30.4 | Very low | 31.2 | Very low | 124 Ų | 124 | 112.6 Ų | 112.6 | 58% | 0.579 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -96.1 | 6.5 | 179.9 | -85.3 | 168.1 | -31.8 | 0 | 0 | 114.5 | V348 | V348-Q352 PolarHBondContact O-OE1 3.33Š|
| 353 | C | 22.6 | Very low | 30 | Very low | 96 Ų | 96 | 116.5 Ų | 116.5 | 65% | 0.649 | 66% | 0.657 | S | S | * | * | trans | -119.1 | 106.3 | 172 | -70.9 | 0 | 0 | 0 | 0 | 109.9 | R355 | C353-R355 PolarHBondContact O-N 3.43Š| ||
| 354 | P | 27.9 | Very low | 29.6 | Very low | 115 Ų | 115 | 121.2 Ų | 121.2 | 75% | 0.747 | 69% | 0.687 | S | S | * | * | trans | -63.8 | 109.1 | 156.6 | 3.4 | 11.2 | 0 | 0 | 0 | 106.4 | S356 | P354-S356 VanDerWaalsContact C-N 3.27Å; P354-S356 PolarHBondContact O-N 3.35Å | ||
| 355 | R | 31.5 | Very low | 29.2 | Very low | 252 Ų | 252 | 126.4 Ų | 126.4 | 95% | 0.951 | 72% | 0.715 | S | S | * | * | trans | -68.5 | 93.5 | 162.5 | -81.1 | -175.4 | 176.6 | 178.2 | -2.1 | 107.1 | C353 | C353-R355 PolarHBondContact O-N 3.43Š| ||
| 356 | S | 27.1 | Very low | 28.7 | Very low | 84 Ų | 84 | 129.7 Ų | 129.7 | 59% | 0.587 | 73% | 0.732 | S | S | * | * | trans | -137 | 72.6 | 169.6 | 56.8 | 0 | 0 | 0 | 0 | 110 | P354 | P354-S356 VanDerWaalsContact C-N 3.27Å; P354-S356 PolarHBondContact O-N 3.35Å | ||
| 357 | F | 24.8 | Very low | 28.3 | Very low | 205 Ų | 205 | 133 Ų | 133 | 90% | 0.899 | 74% | 0.744 | S | S | * | * | trans | -148.4 | 123.7 | 152.2 | -84.9 | -74.8 | 0 | 0 | 0 | 108.2 | ||||
| 358 | P | 28.3 | Very low | 28 | Very low | 112 Ų | 112 | 139.1 Ų | 139.1 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -75 | 154.7 | 164.8 | 32.3 | -30 | 0 | 0 | 0 | 109.4 | S360 | P358-S360 PolarHBondContact O-N 3.47Š| ||
| 359 | P | 28.5 | Very low | 27.5 | Very low | 136 Ų | 136 | 144.4 Ų | 144.4 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | trans | -75.5 | 114.8 | -178.9 | 30 | -29.5 | 0 | 0 | 0 | 109.8 | ||||
| 360 | S | 26.9 | Very low | 27.2 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | -90 | 140.3 | 160.8 | 174.7 | 0 | 0 | 0 | 0 | 109.1 | P358 | P358-S360 PolarHBondContact O-N 3.47Š| ||
| 361 | A | 29.3 | Very low | 26.9 | Very low | 93 Ų | 93 | 146.4 Ų | 146.4 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -75.1 | 165.6 | -166.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 362 | A | 28 | Very low | 26.4 | Very low | 102 Ų | 102 | 151.2 Ų | 151.2 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | 83.8 | 108.5 | 155.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 363 | A | 24.4 | Very low | 26.1 | Very low | 97 Ų | 97 | 149.3 Ų | 149.3 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | 162.8 | 161.7 | 120.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 364 | P | 28.5 | Very low | 26.1 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | -103.9 | 168.8 | -111.7 | 7.6 | 16.3 | 0 | 0 | 0 | 114.8 | |||||
| 365 | Q | 28.3 | Very low | 25.9 | Very low | 193 Ų | 193 | 148.9 Ų | 148.9 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | trans | -58.5 | 126.8 | 174 | -75.3 | 175.2 | -41.5 | 0 | 0 | 112.5 | ||||
| 366 | E | 25.8 | Very low | 25.6 | Very low | 189 Ų | 189 | 145.4 Ų | 145.4 | 88% | 0.883 | 83% | 0.829 | S | S | * | * | trans | -137.1 | 155.9 | 151.2 | -83.3 | -161.7 | 152.3 | 0 | 0 | 112 | ||||
| 367 | H | 25.6 | Very low | 25.5 | Very low | 175 Ų | 175 | 145.1 Ų | 145.1 | 81% | 0.81 | 84% | 0.839 | S | S | * | * | trans | -55.1 | 130.6 | -154.2 | -83.3 | -110.5 | 0 | 0 | 0 | 117.1 | H369 | H367-H369 PolarHBondContact O-N 3.4Š| ||
| 368 | K | 24 | Very low | 25.5 | Very low | 208 Ų | 208 | 148.2 Ų | 148.2 | 90% | 0.904 | 85% | 0.845 | S | S | * | * | trans | -77.3 | 111.7 | 161.1 | -80.5 | 177.6 | 176.1 | 172.6 | 0 | 109.9 | ||||
| 369 | H | 25.2 | Very low | 25.3 | Very low | 173 Ų | 173 | 146.2 Ų | 146.2 | 80% | 0.801 | 85% | 0.845 | S | S | * | * | trans | -99.8 | 126.6 | 151.6 | -91.4 | -79 | 0 | 0 | 0 | 110.7 | H367 | H367-H369 PolarHBondContact O-N 3.4Š| ||
| 370 | S | 23.1 | Very low | 25.1 | Very low | 92 Ų | 92 | 149 Ų | 149 | 64% | 0.643 | 85% | 0.846 | S | S | * | * | trans | -58.6 | 130.5 | 175.1 | 156.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 371 | W | 22.6 | Very low | 25.2 | Very low | 253 Ų | 253 | 151.3 Ų | 151.3 | 96% | 0.958 | 85% | 0.848 | S | S | * | * | trans | -138.6 | 118.5 | 146 | -85.8 | 96 | 0 | 0 | 0 | 111.5 | ||||
| 372 | R | 22.6 | Very low | 25.4 | Very low | 227 Ų | 227 | 152.4 Ų | 152.4 | 86% | 0.857 | 85% | 0.847 | S | S | * | * | trans | -83.5 | 143.5 | 162.5 | -70.6 | 179.1 | -169.1 | -114 | 2.2 | 108.5 | ||||
| 373 | G | 22.7 | Very low | 25.3 | Very low | 84 Ų | 84 | 155.4 Ų | 155.4 | 87% | 0.866 | 85% | 0.849 | S | S | * | * | trans | 80.5 | 140.5 | 143.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 374 | G | 23.2 | Very low | 25.2 | Very low | 81 Ų | 81 | 155 Ų | 155 | 84% | 0.835 | 85% | 0.854 | S | S | * | * | trans | 144.5 | 101.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 375 | C | 24.1 | Very low | 25 | Very low | 121 Ų | 121 | 152.3 Ų | 152.3 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | trans | -68.9 | 162.4 | 165.4 | -75.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 376 | L | 25.5 | Very low | 25.2 | Very low | 179 Ų | 179 | 149.9 Ų | 149.9 | 94% | 0.937 | 85% | 0.85 | S | S | * | * | trans | 77.7 | 125.8 | 155.9 | -65.5 | 151.7 | 0 | 0 | 0 | 117.9 | ||||
| 377 | G | 23.1 | Very low | 25.1 | Very low | 77 Ų | 77 | 144.5 Ų | 144.5 | 79% | 0.794 | 85% | 0.846 | S | S | * | * | trans | 171.1 | 91.5 | 167 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 378 | W | 25.8 | Very low | 25.1 | Very low | 271 Ų | 271 | 145.1 Ų | 145.1 | 100% | 1.027 | 85% | 0.848 | S | S | * | * | trans | -70.5 | 138.5 | 156.6 | -85.4 | 73.8 | 0 | 0 | 0 | 108.4 | ||||
| 379 | G | 23.3 | Very low | 25.4 | Very low | 70 Ų | 70 | 141.5 Ų | 141.5 | 72% | 0.722 | 85% | 0.847 | S | S | * | * | trans | 145.5 | 133.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 380 | E | 25.9 | Very low | 25.3 | Very low | 194 Ų | 194 | 136.3 Ų | 136.3 | 91% | 0.907 | 84% | 0.84 | S | S | * | * | trans | 92.2 | 94.2 | 156.9 | -54.1 | -166.5 | 146.5 | 0 | 0 | 118.9 | ||||
| 381 | L | 27.4 | Very low | 25.4 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 90% | 0.895 | 85% | 0.852 | S | S | * | * | trans | -74 | 150.6 | 141.4 | -85.6 | 154.4 | 0 | 0 | 0 | 109.3 | ||||
| 382 | P | 34 | Very low | 25.4 | Very low | 116 Ų | 116 | 134.8 Ų | 134.8 | 75% | 0.753 | 84% | 0.842 | S | S | * | * | -137.7 | 139.4 | 117.7 | 29.5 | -13.1 | 0 | 0 | 0 | 115.1 | |||||
| 383 | N | 25.6 | Very low | 25.4 | Very low | 165 Ų | 165 | 129.9 Ų | 129.9 | 88% | 0.882 | 84% | 0.841 | S | S | * | * | trans | 22 | 130.5 | 146.1 | -72.1 | -17.5 | 0 | 0 | 0 | 122.5 | ||||
| 384 | G | 23.6 | Very low | 25.6 | Very low | 88 Ų | 88 | 137 Ų | 137 | 91% | 0.907 | 84% | 0.842 | S | S | * | * | 126.6 | 112.3 | 120.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 385 | G | 23.9 | Very low | 25.7 | Very low | 72 Ų | 72 | 137 Ų | 137 | 74% | 0.742 | 84% | 0.835 | S | S | * | * | trans | 147.1 | 124.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 386 | P | 31.1 | Very low | 26 | Very low | 141 Ų | 141 | 137.8 Ų | 137.8 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | trans | -86.1 | 122.8 | -178.8 | 33.6 | -28.5 | 0 | 0 | 0 | 110.5 | ||||
| 387 | G | 25.7 | Very low | 26.1 | Very low | 76 Ų | 76 | 134.8 Ų | 134.8 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | trans | -134.7 | 126.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 388 | H | 25 | Very low | 26.5 | Very low | 188 Ų | 188 | 133.5 Ų | 133.5 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | trans | -40.8 | 154.3 | 178 | -86 | -84.4 | 0 | 0 | 0 | 116.6 | G390 | H388-G390 PolarHBondContact O-N 3.1Š| ||
| 389 | P | 30.2 | Very low | 26.8 | Very low | 133 Ų | 133 | 123 Ų | 123 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -77.1 | 87.6 | -177.9 | 33.2 | -32.2 | 0 | 0 | 0 | 110.3 | ||||
| 390 | G | 23.1 | Very low | 27.4 | Very low | 64 Ų | 64 | 124.6 Ų | 124.6 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | trans | -96.6 | 109.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H388 | H388-G390 PolarHBondContact O-N 3.1Š| ||
| 391 | R | 24.5 | Very low | 28.2 | Very low | 241 Ų | 241 | 116 Ų | 116 | 91% | 0.909 | 73% | 0.733 | S | S | * | * | trans | 46.7 | 95.7 | 154.1 | -74.6 | 179.8 | -92.4 | -110.4 | -0.3 | 116.4 | C393 | R391-C393 PolarHBondContact O-N 3.43Š| ||
| 392 | G | 22.8 | Very low | 29.3 | Very low | 71 Ų | 71 | 110.8 Ų | 110.8 | 73% | 0.732 | 70% | 0.702 | S | S | * | * | trans | -59 | 98.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | W394 | G392-W394 VanDerWaalsContact C-N 3.35Å; G392-W394 PolarHBondContact O-N 2.91Å; G392-W394 VanDerWaalsContact O-N 3.16Å | ||
| 393 | C | 22.7 | Very low | 30.1 | Very low | 125 Ų | 125 | 105.7 Ų | 105.7 | 85% | 0.845 | 67% | 0.669 | S | S | * | * | trans | -63.1 | 105.2 | 145.1 | -87.3 | 0 | 0 | 0 | 0 | 105.9 | R391 A395 | R391-C393 PolarHBondContact O-N 3.43Å; C393-A395 PolarHBondContact O-N 3.09Å | ||
| 394 | W | 27 | Very low | 31.7 | Very low | 232 Ų | 232 | 99.7 Ų | 99.7 | 88% | 0.879 | 64% | 0.64 | S | S | * | * | trans | -57.3 | 93.3 | 164.5 | -72.8 | 82.3 | 0 | 0 | 0 | 107.2 | G392 D396 | G392-W394 VanDerWaalsContact C-N 3.35Å; G392-W394 PolarHBondContact O-N 2.91Å; G392-W394 VanDerWaalsContact O-N 3.16Å; W394-D396 VanDerWaalsContact C-N 3.28Å; W394-D396 PolarHBondContact O-N 3.42Å | ||
| 395 | A | 25.3 | Very low | 33.3 | Very low | 83 Ų | 83 | 96.9 Ų | 96.9 | 69% | 0.686 | 61% | 0.608 | S | S | * | * | trans | -66.9 | 98 | 165 | 0 | 0 | 0 | 0 | 0 | 105.5 | C393 T397 | C393-A395 PolarHBondContact O-N 3.09Å; A395-T397 PolarHBondContact O-N 3.19Å | ||
| 396 | D | 29.9 | Very low | 35.2 | Very low | 136 Ų | 136 | 93.4 Ų | 93.4 | 73% | 0.727 | 57% | 0.573 | S | S | * | * | trans | -63.2 | 78.3 | 173 | -78.9 | -33.5 | 0 | 0 | 0 | 109.8 | W394 G398 | W394-D396 VanDerWaalsContact C-N 3.28Å; W394-D396 PolarHBondContact O-N 3.42Å; D396-G398 VanDerWaalsContact C-N 3.34Å | ||
| 397 | T | 27.8 | Very low | 37.2 | Very low | 116 Ų | 116 | 88.6 Ų | 88.6 | 71% | 0.712 | 54% | 0.539 | S | S | * | . | trans | -103.7 | 41.1 | 160.5 | 48.2 | 0 | 0 | 0 | 0 | 110.1 | A395 | A395-T397 PolarHBondContact O-N 3.19Š| ||
| 398 | G | 31.5 | Very low | 39.2 | Very low | 50 Ų | 50 | 88.3 Ų | 88.3 | 52% | 0.515 | 52% | 0.523 | S | S | . | . | trans | -66.4 | 148.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112 | D396 S400 | D396-G398 VanDerWaalsContact C-N 3.34Å; G398-S400 PolarHBondContact O-N 2.9Å | ||
| 399 | P | 33 | Very low | 41.4 | Very low | 51 Ų | 51 | 81 Ų | 81 | 33% | 0.331 | 49% | 0.49 | S | S | . | . | trans | -59.8 | 127.9 | 177.5 | 23.2 | -31 | 0 | 0 | 0 | 110.8 | M258 N401 | M258-P399 HydrophobicContact CG-CB 4.41Å; P399-N401 PolarHBondContact O-N 2.94Å; P399-N401 VanDerWaalsContact O-N 3.11Å | ||
| 400 | S | 35.2 | Very low | 43.6 | Very low | 103 Ų | 103 | 75 Ų | 75 | 72% | 0.72 | 45% | 0.451 | S | S | * | . | trans | -84.3 | 89.6 | -170.9 | 2.4 | 0 | 0 | 0 | 0 | 111.2 | G398 | G398-S400 PolarHBondContact O-N 2.9Š| ||
| 401 | N | 43.6 | Very low | 46.1 | Very low | 13 Ų | 13 | 73.8 Ų | 73.8 | 7% | 0.07 | 43% | 0.428 | C | S | . | . | trans | -81.1 | 155 | 167.4 | -117.3 | 14.2 | 0 | 0 | 0 | 112.4 | P399 S403 S404 A405 M437 A478 A479 G480 I481 | P399-N401 PolarHBondContact O-N 2.94Å; P399-N401 VanDerWaalsContact O-N 3.11Å; N401-S403 VanDerWaalsContact C-N 3.34Å; N401-S403 PolarHBondContact O-N 3.43Å; N401-S404 WeakPolarHBondContact CA-OG 3.41Å; N401-S404 PolarHBondContact N-OG 3.5Å; N401-S404 PolarHBondContact O-N 2.95Å; N401-S404 VanDerWaalsContact O-N 3.09Å; N401-S404 PolarHBondContact O-OG 3.45Å; N401-A405 PolarHBondContact O-N 3.22Å; N401-M437 WeakPolarHBondContact ND2-CE 3.28Å; N401-A478 PolarHBondContact ND2-O 2.91Å; N401-A479 VanDerWaalsContact ND2-CA 3.35Å; N401-A479 WeakPolarHBondContact ND2-CA 3.47Å; N401-G480 VanDerWaalsContact CG-CA 3.43Å; N401-G480 PolarHBondContact ND2-N 3.4Å; N401-G480 WeakPolarHBondContact OD1-CA 3.5Å; N401-G480 PolarHBondContact OD1-N 3.34Å; N401-G480 PolarHBondContact OD1-O 3.07Å; N401-I481 PolarHBondContact OD1-N 2.79Å; N401-I481 PolarHBondContact OD1-O 2.84Å; N401-I481 VanDerWaalsContact OD1-O 3.12Å | ||
| 402 | R | 50.8 | Low | 48.3 | Very low | 63 Ų | 63 | 67.8 Ų | 67.8 | 24% | 0.238 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -37.9 | -176.3 | -75.5 | -177.1 | -92.2 | -150.3 | -0.6 | 113.3 | D514 T518 | R402-D514 WeakPolarHBondContact CD-OD2 3.46Å; R402-D514 IonicContact CZ-OD1 3.05Å; R402-D514 IonicContact CZ-OD2 2.88Å; R402-D514 IonicContact NE-OD1 4Å; R402-D514 IonicContact NE-OD2 3.09Å; R402-D514 PolarHBondContact NE-OD2 2.86Å; R402-D514 IonicContact NH1-OD1 3.19Å; R402-D514 PolarHBondContact NH1-OD1 2.99Å; R402-D514 IonicContact NH1-OD2 2.82Å; R402-D514 PolarHBondContact NH1-OD2 3.06Å; R402-D514 VanDerWaalsContact NH2-CG 3.34Å; R402-D514 IonicContact NH2-OD1 3.52Å; R402-D514 PolarHBondContact NH2-OD1 3.34Å; R402-D514 IonicContact NH2-OD2 3.8Å; R402-T518 HydrophobicContact CB-CG2 4.02Å |
| 403 | S | 50.5 | Low | 50.9 | Low | 8 Ų | 8 | 64.6 Ų | 64.6 | 6% | 0.056 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -32.2 | 173.3 | -53.2 | 0 | 0 | 0 | 0 | 112.9 | N401 A405 T406 L407 | N401-S403 VanDerWaalsContact C-N 3.34Å; N401-S403 PolarHBondContact O-N 3.43Å; S403-A405 VanDerWaalsContact C-N 3.33Å; S403-T406 PolarHBondContact O-N 3.21Å; S403-T406 PolarHBondContact O-OG1 2.77Å; S403-L407 PolarHBondContact O-N 3.45Å |
| 404 | S | 58.8 | Low | 53.9 | Low | 39 Ų | 39 | 58.6 Ų | 58.6 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -72.8 | -27.2 | 176.5 | 69.2 | 0 | 0 | 0 | 0 | 112.4 | N401 T406 L407 | N401-S404 WeakPolarHBondContact CA-OG 3.41Å; N401-S404 PolarHBondContact N-OG 3.5Å; N401-S404 PolarHBondContact O-N 2.95Å; N401-S404 VanDerWaalsContact O-N 3.09Å; N401-S404 PolarHBondContact O-OG 3.45Å; S404-T406 PolarHBondContact O-N 3.44Å; S404-L407 VanDerWaalsContact O-CB 3.25Å; S404-L407 WeakPolarHBondContact O-CB 3.3Å; S404-L407 PolarHBondContact O-N 3.41Å |
| 405 | A | 56.2 | Low | 56.5 | Low | 29 Ų | 29 | 49.8 Ų | 49.8 | 24% | 0.24 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -64.5 | -26.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N401 S403 | N401-A405 PolarHBondContact O-N 3.22Å; S403-A405 VanDerWaalsContact C-N 3.33Å |
| 406 | T | 65.3 | Low | 59.3 | Low | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -91 | -11.9 | 176.7 | 47.7 | 0 | 0 | 0 | 0 | 114.3 | I337 A338 T341 S403 S404 I409 T410 V522 | I337-T406 HydrophobicContact CG2-CG2 4.07Å; A338-T406 HydrophobicContact CB-CG2 4.02Å; T341-T406 HydrophobicContact CG2-CG2 4.38Å; S403-T406 PolarHBondContact O-N 3.21Å; S403-T406 PolarHBondContact O-OG1 2.77Å; S404-T406 PolarHBondContact O-N 3.44Å; T406-I409 PolarHBondContact O-N 2.98Å; T406-T410 PolarHBondContact O-N 3.34Å; T406-T410 PolarHBondContact O-OG1 3.5Å; T406-V522 VanDerWaalsContact OG1-CG2 3.25Å; T406-V522 WeakPolarHBondContact OG1-CG2 3.38Å |
| 407 | L | 71.7 | Confident | 61.9 | Low | 40 Ų | 40 | 48.3 Ų | 48.3 | 21% | 0.209 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -53.3 | -43.8 | -172.9 | -172 | 148.6 | 0 | 0 | 0 | 114.1 | S403 S404 I409 T410 F411 L429 P430 A433 | S403-L407 PolarHBondContact O-N 3.45Å; S404-L407 VanDerWaalsContact O-CB 3.25Å; S404-L407 WeakPolarHBondContact O-CB 3.3Å; S404-L407 PolarHBondContact O-N 3.41Å; L407-I409 VanDerWaalsContact C-N 3.28Å; L407-I409 PolarHBondContact O-N 3.37Å; L407-T410 PolarHBondContact O-N 3.36Å; L407-F411 VanDerWaalsContact O-CB 3.23Å; L407-F411 WeakPolarHBondContact O-CB 3.45Å; L407-F411 PolarHBondContact O-N 2.74Å; L407-L429 HydrophobicContact CD1-CB 4.29Å; L407-L429 HydrophobicContact CG-CB 4.31Å; L407-P430 HydrophobicContact CD1-CB 4.3Å; L407-P430 HydrophobicContact CD1-CG 4.14Å; L407-A433 HydrophobicContact CD1-CB 4.07Å |
| 408 | P | 68.2 | Low | 64.8 | Low | 70 Ų | 70 | 44.2 Ų | 44.2 | 46% | 0.455 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.8 | -33 | 179.1 | -23.9 | 34.8 | 0 | 0 | 0 | 113.8 | K412 | P408-K412 PolarHBondContact O-N 3.09Å; P408-K412 VanDerWaalsContact O-N 3.1Å |
| 409 | I | 72.3 | Confident | 67.6 | Low | 34 Ų | 34 | 49.1 Ų | 49.1 | 17% | 0.174 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -80.5 | -42 | -178.6 | -60.9 | 174.8 | 0 | 0 | 0 | 110 | A334 I337 T406 L407 F411 K412 C413 | A334-I409 HydrophobicContact CB-CG2 4.23Å; I337-I409 HydrophobicContact CD1-CD1 3.76Å; I337-I409 HydrophobicContact CD1-CG2 4.08Å; I337-I409 HydrophobicContact CG2-CD1 4.05Å; T406-I409 PolarHBondContact O-N 2.98Å; L407-I409 VanDerWaalsContact C-N 3.28Å; L407-I409 PolarHBondContact O-N 3.37Å; I409-F411 VanDerWaalsContact C-N 3.26Å; I409-F411 PolarHBondContact O-N 2.99Å; I409-K412 PolarHBondContact O-N 3.41Å; I409-C413 PolarHBondContact O-N 3.19Å; I409-C413 PolarHBondContact O-SG 2.97Å |
| 410 | T | 75.8 | Confident | 70.2 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.4 | -44.3 | 171.9 | -52.9 | 0 | 0 | 0 | 0 | 110.4 | T406 L407 C413 L414 L429 V522 A526 | T406-T410 PolarHBondContact O-N 3.34Å; T406-T410 PolarHBondContact O-OG1 3.5Å; L407-T410 PolarHBondContact O-N 3.36Å; T410-C413 PolarHBondContact O-N 3.22Å; T410-L414 HydrophobicContact CG2-CD1 4.06Å; T410-L414 VanDerWaalsContact O-CG 3.32Å; T410-L414 WeakPolarHBondContact O-CG 3.4Å; T410-L414 PolarHBondContact O-N 3.32Å; T410-L429 HydrophobicContact CG2-CD1 4.27Å; T410-L429 HydrophobicContact CG2-CD2 4.14Å; T410-V522 HydrophobicContact CG2-CG1 4.28Å; T410-V522 WeakPolarHBondContact OG1-CG1 3.48Å; T410-A526 HydrophobicContact CG2-CB 4.13Å |
| 411 | F | 76.1 | Confident | 72.5 | Confident | 40 Ų | 40 | 45.5 Ų | 45.5 | 18% | 0.175 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.4 | -50.6 | 175.4 | -172.1 | -94.9 | 0 | 0 | 0 | 111.9 | L407 I409 C413 L414 L415 R422 A425 R426 L429 | L407-F411 VanDerWaalsContact O-CB 3.23Å; L407-F411 WeakPolarHBondContact O-CB 3.45Å; L407-F411 PolarHBondContact O-N 2.74Å; I409-F411 VanDerWaalsContact C-N 3.26Å; I409-F411 PolarHBondContact O-N 2.99Å; F411-C413 PolarHBondContact O-N 2.84Å; F411-L414 PolarHBondContact O-N 3.41Å; F411-L415 HydrophobicContact CD1-CD1 3.84Å; F411-L415 HydrophobicContact CD1-CG 4.42Å; F411-L415 HydrophobicContact CE1-CD1 3.31Å; F411-L415 HydrophobicContact CE1-CG 4.18Å; F411-L415 HydrophobicContact CZ-CD1 3.83Å; F411-L415 HydrophobicContact CZ-CG 4.47Å; F411-L415 WeakPolarHBondContact O-CG 3.4Å; F411-L415 PolarHBondContact O-N 3.1Å; F411-L415 VanDerWaalsContact O-N 3.15Å; F411-R422 HydrophobicContact CZ-CG 3.78Å; F411-A425 HydrophobicContact CD2-CB 3.86Å; F411-A425 HydrophobicContact CE2-CB 3.66Å; F411-R426 HydrophobicContact CE2-CB 4.23Å; F411-R426 HydrophobicContact CE2-CG 3.42Å; F411-R426 VanDerWaalsContact CE2-CG 3.42Å; F411-R426 HydrophobicContact CZ-CG 3.54Å; F411-L429 HydrophobicContact CB-CD1 4.01Å; F411-L429 HydrophobicContact CD2-CD1 3.97Å; F411-L429 HydrophobicContact CG-CD1 4.5Å |
| 412 | K | 70.3 | Confident | 74.2 | Confident | 114 Ų | 114 | 50.4 Ų | 50.4 | 50% | 0.496 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.9 | -47.7 | 176.7 | -174.5 | 179.3 | 177.7 | 178 | 0 | 112.3 | P408 I409 L414 L415 E416 | P408-K412 PolarHBondContact O-N 3.09Å; P408-K412 VanDerWaalsContact O-N 3.1Å; I409-K412 PolarHBondContact O-N 3.41Å; K412-L414 VanDerWaalsContact C-N 3.29Å; K412-L414 PolarHBondContact O-N 3.35Å; K412-L415 PolarHBondContact O-N 3.37Å; K412-E416 WeakPolarHBondContact CE-OE1 3.36Å; K412-E416 WeakPolarHBondContact CE-OE2 3.11Å; K412-E416 HydrophobicContact CG-CG 4.32Å; K412-E416 IonicContact NZ-OE2 3.85Å; K412-E416 WeakPolarHBondContact O-CB 3.45Å; K412-E416 PolarHBondContact O-N 2.96Å |
| 413 | C | 76.8 | Confident | 75.4 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 3% | 0.027 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61 | -38.5 | 179.9 | -65.4 | 0 | 0 | 0 | 0 | 112 | I331 I409 T410 F411 N417 N418 | I331-C413 HydrophobicContact CG2-CB 4.1Å; I409-C413 PolarHBondContact O-N 3.19Å; I409-C413 PolarHBondContact O-SG 2.97Å; T410-C413 PolarHBondContact O-N 3.22Å; F411-C413 PolarHBondContact O-N 2.84Å; C413-N417 WeakPolarHBondContact O-CA 3.34Å; C413-N417 VanDerWaalsContact O-CB 3.26Å; C413-N417 WeakPolarHBondContact O-CB 3.36Å; C413-N417 PolarHBondContact O-N 3.28Å; C413-N418 PolarHBondContact O-N 3.31Å |
| 414 | L | 85.4 | Confident | 77 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.8 | -37.1 | 179.2 | -73.6 | 170.4 | 0 | 0 | 0 | 113.1 | F327 I331 T410 F411 K412 N418 H419 I420 L429 A526 A529 | F327-L414 HydrophobicContact CE1-CD2 4.09Å; F327-L414 HydrophobicContact CE2-CD2 4.23Å; F327-L414 HydrophobicContact CZ-CD2 3.45Å; F327-L414 VanDerWaalsContact CZ-CD2 3.45Å; I331-L414 HydrophobicContact CG2-CD2 3.77Å; I331-L414 HydrophobicContact CG2-CG 4.13Å; T410-L414 HydrophobicContact CG2-CD1 4.06Å; T410-L414 VanDerWaalsContact O-CG 3.32Å; T410-L414 WeakPolarHBondContact O-CG 3.4Å; T410-L414 PolarHBondContact O-N 3.32Å; F411-L414 PolarHBondContact O-N 3.41Å; K412-L414 VanDerWaalsContact C-N 3.29Å; K412-L414 PolarHBondContact O-N 3.35Å; L414-N418 HydrophobicContact CD2-CB 4.43Å; L414-N418 CarbonylContact O-C 3.59Å; L414-H419 PolarHBondContact O-N 3.36Å; L414-I420 HydrophobicContact CB-CB 4.37Å; L414-I420 HydrophobicContact CB-CG1 4.44Å; L414-I420 HydrophobicContact CD2-CG1 4.22Å; L414-I420 PolarHBondContact O-N 3.48Å; L414-L429 HydrophobicContact CD1-CD1 3.62Å; L414-L429 HydrophobicContact CD1-CD2 3.69Å; L414-L429 HydrophobicContact CD1-CG 4.07Å; L414-A526 HydrophobicContact CD1-CB 4.39Å; L414-A526 HydrophobicContact CD2-CB 4.27Å; L414-A529 HydrophobicContact CD1-CB 4.07Å |
| 415 | L | 81.1 | Confident | 77.9 | Confident | 46 Ų | 46 | 50.5 Ų | 50.5 | 24% | 0.241 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -74.1 | -50 | 177.3 | -63.9 | -176 | 0 | 0 | 0 | 112.4 | F411 K412 H419 I420 R422 A425 | F411-L415 HydrophobicContact CD1-CD1 3.84Å; F411-L415 HydrophobicContact CD1-CG 4.42Å; F411-L415 HydrophobicContact CE1-CD1 3.31Å; F411-L415 HydrophobicContact CE1-CG 4.18Å; F411-L415 HydrophobicContact CZ-CD1 3.83Å; F411-L415 HydrophobicContact CZ-CG 4.47Å; F411-L415 WeakPolarHBondContact O-CG 3.4Å; F411-L415 PolarHBondContact O-N 3.1Å; F411-L415 VanDerWaalsContact O-N 3.15Å; K412-L415 PolarHBondContact O-N 3.37Å; L415-H419 WeakPolarHBondContact O-CA 3.42Å; L415-H419 PolarHBondContact O-N 3.4Å; L415-I420 WeakPolarHBondContact CD2-O 3.19Å; L415-R422 HydrophobicContact CD1-CG 4.31Å; L415-R422 HydrophobicContact CD2-CB 4Å; L415-R422 HydrophobicContact CD2-CG 4.31Å; L415-A425 HydrophobicContact CD2-CB 4.41Å |
| 416 | E | 84.3 | Confident | 78.7 | Confident | 109 Ų | 109 | 55.8 Ų | 55.8 | 51% | 0.509 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -83 | -41.4 | -169.9 | -67.2 | 179 | -173.2 | 0 | 0 | 112.4 | K412 H419 | K412-E416 WeakPolarHBondContact CE-OE1 3.36Å; K412-E416 WeakPolarHBondContact CE-OE2 3.11Å; K412-E416 HydrophobicContact CG-CG 4.32Å; K412-E416 IonicContact NZ-OE2 3.85Å; K412-E416 WeakPolarHBondContact O-CB 3.45Å; K412-E416 PolarHBondContact O-N 2.96Å; E416-H419 PolarHBondContact O-CE1 3.17Å; E416-H419 PolarHBondContact O-ND1 3.45Å |
| 417 | N | 85.8 | Confident | 79.3 | Confident | 80 Ų | 80 | 59.2 Ų | 59.2 | 43% | 0.428 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -35.5 | -173.1 | -56.1 | -20.7 | 0 | 0 | 0 | 112.6 | G330 C413 | G330-N417 WeakPolarHBondContact O-CB 3.3Å; G330-N417 PolarHBondContact O-ND2 2.99Å; C413-N417 WeakPolarHBondContact O-CA 3.34Å; C413-N417 VanDerWaalsContact O-CB 3.26Å; C413-N417 WeakPolarHBondContact O-CB 3.36Å; C413-N417 PolarHBondContact O-N 3.28Å |
| 418 | N | 87.9 | Confident | 79.9 | Confident | 29 Ų | 29 | 57.3 Ų | 57.3 | 16% | 0.155 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -106.8 | -2.4 | -177.2 | -72 | -13.5 | 0 | 0 | 0 | 113.8 | F327 C413 L414 I420 | F327-N418 HydrophobicContact CD2-CB 4.06Å; F327-N418 VanDerWaalsContact CD2-ND2 3.31Å; F327-N418 WeakPolarHBondContact CD2-ND2 3.1Å; F327-N418 HydrophobicContact CE2-CB 3.79Å; F327-N418 VanDerWaalsContact CE2-ND2 3.29Å; F327-N418 WeakPolarHBondContact CE2-ND2 3.36Å; F327-N418 WeakPolarHBondContact CG-ND2 3.44Å; F327-N418 HydrophobicContact CZ-CB 4.47Å; F327-N418 WeakPolarHBondContact CZ-ND2 3.44Å; F327-N418 PolarHBondContact O-ND2 3.45Å; F327-N418 PolarHBondContact O-OD1 3.18Å; C413-N418 PolarHBondContact O-N 3.31Å; L414-N418 HydrophobicContact CD2-CB 4.43Å; L414-N418 CarbonylContact O-C 3.59Å; N418-I420 VanDerWaalsContact C-N 3.27Å; N418-I420 HydrophobicContact CB-CG1 4.2Å; N418-I420 PolarHBondContact O-N 2.91Å |
| 419 | H | 89.6 | Confident | 80.4 | Confident | 154 Ų | 154 | 54.1 Ų | 54.1 | 71% | 0.713 | 24% | 0.242 | S | C | * | . | trans | 51.5 | 41 | 176.5 | -52.1 | -54.8 | 0 | 0 | 0 | 114.3 | L414 L415 E416 | L414-H419 PolarHBondContact O-N 3.36Å; L415-H419 WeakPolarHBondContact O-CA 3.42Å; L415-H419 PolarHBondContact O-N 3.4Å; E416-H419 PolarHBondContact O-CE1 3.17Å; E416-H419 PolarHBondContact O-ND1 3.45Å | ||
| 420 | I | 88.4 | Confident | 80.4 | Confident | 20 Ų | 20 | 55.2 Ų | 55.2 | 10% | 0.103 | 25% | 0.252 | C | S | . | . | trans | -78 | 142 | 175 | -61.3 | -58.4 | 0 | 0 | 0 | 110.1 | F327 L414 L415 N418 R422 I424 A425 A533 | F327-I420 HydrophobicContact CE2-CD1 4.12Å; F327-I420 HydrophobicContact CE2-CG1 4.24Å; L414-I420 HydrophobicContact CB-CB 4.37Å; L414-I420 HydrophobicContact CB-CG1 4.44Å; L414-I420 HydrophobicContact CD2-CG1 4.22Å; L414-I420 PolarHBondContact O-N 3.48Å; L415-I420 WeakPolarHBondContact CD2-O 3.19Å; N418-I420 VanDerWaalsContact C-N 3.27Å; N418-I420 HydrophobicContact CB-CG1 4.2Å; N418-I420 PolarHBondContact O-N 2.91Å; I420-R422 PolarHBondContact O-N 3.47Å; I420-I424 HydrophobicContact CG2-CB 4.44Å; I420-A425 HydrophobicContact CG2-CB 4.38Å; I420-A533 HydrophobicContact CD1-CB 3.75Å; I420-A533 HydrophobicContact CG2-CB 4.18Å | ||
| 421 | D | 84.6 | Confident | 80.5 | Confident | 58 Ų | 58 | 56 Ų | 56 | 31% | 0.31 | 26% | 0.257 | S | S | . | . | trans | -60.8 | 132.5 | 176.9 | -171.6 | -56.7 | 0 | 0 | 0 | 110.9 | R423 I424 A425 | D421-R423 PolarHBondContact O-N 3.27Å; D421-R423 VanDerWaalsContact OD1-CB 3.24Å; D421-R423 WeakPolarHBondContact OD1-CB 3.43Å; D421-R423 WeakPolarHBondContact OD1-CG 3.2Å; D421-R423 IonicContact OD1-CZ 3.48Å; D421-R423 PolarHBondContact OD1-N 2.87Å; D421-R423 IonicContact OD1-NE 3.32Å; D421-R423 PolarHBondContact OD1-NE 3.35Å; D421-R423 VanDerWaalsContact OD1-NE 3.09Å; D421-R423 IonicContact OD1-NH2 3.99Å; D421-R423 IonicContact OD2-CZ 3.96Å; D421-R423 IonicContact OD2-NE 3.86Å; D421-R423 PolarHBondContact OD2-NE 3.26Å; D421-R423 IonicContact OD2-NH2 2.76Å; D421-R423 PolarHBondContact OD2-NH2 2.87Å; D421-I424 HydrophobicContact CB-CD1 4.19Å; D421-I424 HydrophobicContact CB-CG1 4.21Å; D421-I424 PolarHBondContact O-N 2.88Å; D421-I424 VanDerWaalsContact O-N 3.11Å; D421-A425 PolarHBondContact O-N 2.89Å | ||
| 422 | R | 77.3 | Confident | 80.5 | Confident | 115 Ų | 115 | 54.1 Ų | 54.1 | 43% | 0.434 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58 | -34 | -177.7 | -165.8 | -179.6 | -173.6 | 178.3 | 4.3 | 113.2 | F411 L415 I420 I424 R426 | F411-R422 HydrophobicContact CZ-CG 3.78Å; L415-R422 HydrophobicContact CD1-CG 4.31Å; L415-R422 HydrophobicContact CD2-CB 4Å; L415-R422 HydrophobicContact CD2-CG 4.31Å; I420-R422 PolarHBondContact O-N 3.47Å; R422-I424 VanDerWaalsContact C-N 3.34Å; R422-R426 HydrophobicContact CG-CG 4.36Å; R422-R426 VanDerWaalsContact CZ-NH2 3.26Å; R422-R426 VanDerWaalsContact O-CB 3.3Å; R422-R426 WeakPolarHBondContact O-CB 3.2Å; R422-R426 VanDerWaalsContact O-CG 3.28Å; R422-R426 WeakPolarHBondContact O-CG 3.34Å; R422-R426 PolarHBondContact O-N 3.28Å |
| 423 | R | 77.1 | Confident | 80.6 | Confident | 109 Ų | 109 | 49 Ų | 49 | 41% | 0.411 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.1 | -41.9 | 178.8 | -62.8 | 172.8 | -72.1 | -177.5 | -3.4 | 110.8 | D421 F427 | D421-R423 PolarHBondContact O-N 3.27Å; D421-R423 VanDerWaalsContact OD1-CB 3.24Å; D421-R423 WeakPolarHBondContact OD1-CB 3.43Å; D421-R423 WeakPolarHBondContact OD1-CG 3.2Å; D421-R423 IonicContact OD1-CZ 3.48Å; D421-R423 PolarHBondContact OD1-N 2.87Å; D421-R423 IonicContact OD1-NE 3.32Å; D421-R423 PolarHBondContact OD1-NE 3.35Å; D421-R423 VanDerWaalsContact OD1-NE 3.09Å; D421-R423 IonicContact OD1-NH2 3.99Å; D421-R423 IonicContact OD2-CZ 3.96Å; D421-R423 IonicContact OD2-NE 3.86Å; D421-R423 PolarHBondContact OD2-NE 3.26Å; D421-R423 IonicContact OD2-NH2 2.76Å; D421-R423 PolarHBondContact OD2-NH2 2.87Å; R423-F427 PolarHBondContact O-N 3.34Å |
| 424 | I | 83.4 | Confident | 80.4 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.4 | -49.3 | 178.7 | -56.7 | -179.3 | 0 | 0 | 0 | 110.1 | L88 I420 D421 R422 R426 F427 V428 M532 A533 F540 | L88-I424 HydrophobicContact CD1-CG2 4.4Å; I420-I424 HydrophobicContact CG2-CB 4.44Å; D421-I424 HydrophobicContact CB-CD1 4.19Å; D421-I424 HydrophobicContact CB-CG1 4.21Å; D421-I424 PolarHBondContact O-N 2.88Å; D421-I424 VanDerWaalsContact O-N 3.11Å; R422-I424 VanDerWaalsContact C-N 3.34Å; I424-R426 VanDerWaalsContact C-N 3.29Å; I424-R426 PolarHBondContact O-N 3.49Å; I424-F427 PolarHBondContact O-N 3.38Å; I424-F427 VanDerWaalsContact O-N 3.14Å; I424-V428 HydrophobicContact CG2-CG2 3.76Å; I424-V428 WeakPolarHBondContact O-CB 3.47Å; I424-V428 WeakPolarHBondContact O-CG2 3.06Å; I424-V428 PolarHBondContact O-N 3.01Å; I424-M532 HydrophobicContact CG2-CB 3.98Å; I424-A533 VanDerWaalsContact CD1-CA 3.44Å; I424-A533 HydrophobicContact CD1-CB 3.81Å; I424-F540 HydrophobicContact CD1-CD2 3.81Å; I424-F540 HydrophobicContact CD1-CE2 3.4Å; I424-F540 VanDerWaalsContact CD1-CE2 3.4Å; I424-F540 HydrophobicContact CD1-CZ 4.18Å; I424-F540 HydrophobicContact CG1-CD2 4.27Å; I424-F540 HydrophobicContact CG1-CE2 3.53Å; I424-F540 HydrophobicContact CG1-CZ 3.78Å |
| 425 | A | 78.4 | Confident | 80.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.6 | -36.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F411 L415 I420 D421 F427 L429 | F411-A425 HydrophobicContact CD2-CB 3.86Å; F411-A425 HydrophobicContact CE2-CB 3.66Å; L415-A425 HydrophobicContact CD2-CB 4.41Å; I420-A425 HydrophobicContact CG2-CB 4.38Å; D421-A425 PolarHBondContact O-N 2.89Å; A425-F427 VanDerWaalsContact C-N 3.29Å; A425-F427 PolarHBondContact O-N 2.87Å; A425-L429 HydrophobicContact CB-CD1 4.48Å; A425-L429 WeakPolarHBondContact O-CB 3.36Å; A425-L429 WeakPolarHBondContact O-CG 3.44Å; A425-L429 PolarHBondContact O-N 3.33Å |
| 426 | R | 73.3 | Confident | 80.3 | Confident | 140 Ų | 140 | 49.7 Ų | 49.7 | 53% | 0.528 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -70 | -26.6 | 178.1 | -81.2 | -177.3 | 163.5 | 165.2 | -14.8 | 113.1 | F411 R422 I424 P430 | F411-R426 HydrophobicContact CE2-CB 4.23Å; F411-R426 HydrophobicContact CE2-CG 3.42Å; F411-R426 VanDerWaalsContact CE2-CG 3.42Å; F411-R426 HydrophobicContact CZ-CG 3.54Å; R422-R426 HydrophobicContact CG-CG 4.36Å; R422-R426 VanDerWaalsContact CZ-NH2 3.26Å; R422-R426 VanDerWaalsContact O-CB 3.3Å; R422-R426 WeakPolarHBondContact O-CB 3.2Å; R422-R426 VanDerWaalsContact O-CG 3.28Å; R422-R426 WeakPolarHBondContact O-CG 3.34Å; R422-R426 PolarHBondContact O-N 3.28Å; I424-R426 VanDerWaalsContact C-N 3.29Å; I424-R426 PolarHBondContact O-N 3.49Å; R426-P430 VanDerWaalsContact O-CD 3.23Å; R426-P430 WeakPolarHBondContact O-CD 3.21Å; R426-P430 VanDerWaalsContact O-CG 3.28Å; R426-P430 WeakPolarHBondContact O-CG 3.48Å |
| 427 | F | 77.4 | Confident | 80.4 | Confident | 72 Ų | 72 | 44.9 Ų | 44.9 | 32% | 0.316 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -88.8 | -51.9 | 178.7 | -178.5 | -89.9 | 0 | 0 | 0 | 111.4 | L88 R423 I424 A425 V431 | L88-F427 HydrophobicContact CD2-CB 4.35Å; L88-F427 HydrophobicContact CD2-CD1 3.87Å; L88-F427 HydrophobicContact CD2-CG 4.18Å; L88-F427 HydrophobicContact CG-CD1 4.15Å; L88-F427 HydrophobicContact CG-CE1 4.43Å; R423-F427 PolarHBondContact O-N 3.34Å; I424-F427 PolarHBondContact O-N 3.38Å; I424-F427 VanDerWaalsContact O-N 3.14Å; A425-F427 VanDerWaalsContact C-N 3.29Å; A425-F427 PolarHBondContact O-N 2.87Å; F427-V431 VanDerWaalsContact O-CG2 3.22Å; F427-V431 WeakPolarHBondContact O-CG2 3.33Å |
| 428 | V | 84 | Confident | 80.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71 | -40.1 | -168.8 | 176.7 | 0 | 0 | 0 | 0 | 112.6 | L88 T92 Y96 I424 G432 A528 A529 M532 | L88-V428 HydrophobicContact CD1-CG2 4.48Å; T92-V428 HydrophobicContact CG2-CG1 4.06Å; T92-V428 HydrophobicContact CG2-CG2 4.27Å; Y96-V428 WeakPolarHBondContact OH-CG1 3.29Å; Y96-V428 PolarHBondContact OH-O 3.01Å; I424-V428 HydrophobicContact CG2-CG2 3.76Å; I424-V428 WeakPolarHBondContact O-CB 3.47Å; I424-V428 WeakPolarHBondContact O-CG2 3.06Å; I424-V428 PolarHBondContact O-N 3.01Å; V428-G432 PolarHBondContact O-N 3.49Å; V428-A528 HydrophobicContact CG1-CB 4.07Å; V428-A529 HydrophobicContact CB-CB 4.27Å; V428-A529 HydrophobicContact CG1-CB 4.01Å; V428-M532 HydrophobicContact CG2-CB 4.22Å; V428-M532 HydrophobicContact CG2-CG 4.08Å |
| 429 | L | 79.4 | Confident | 80.9 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -71.7 | -45.2 | -174.7 | -59.1 | 175.8 | 0 | 0 | 0 | 113.9 | L407 T410 F411 L414 A425 V431 G432 A433 D525 A529 | L407-L429 HydrophobicContact CD1-CB 4.29Å; L407-L429 HydrophobicContact CG-CB 4.31Å; T410-L429 HydrophobicContact CG2-CD1 4.27Å; T410-L429 HydrophobicContact CG2-CD2 4.14Å; F411-L429 HydrophobicContact CB-CD1 4.01Å; F411-L429 HydrophobicContact CD2-CD1 3.97Å; F411-L429 HydrophobicContact CG-CD1 4.5Å; L414-L429 HydrophobicContact CD1-CD1 3.62Å; L414-L429 HydrophobicContact CD1-CD2 3.69Å; L414-L429 HydrophobicContact CD1-CG 4.07Å; A425-L429 HydrophobicContact CB-CD1 4.48Å; A425-L429 WeakPolarHBondContact O-CB 3.36Å; A425-L429 WeakPolarHBondContact O-CG 3.44Å; A425-L429 PolarHBondContact O-N 3.33Å; L429-V431 VanDerWaalsContact C-N 3.31Å; L429-V431 PolarHBondContact O-N 3.46Å; L429-G432 PolarHBondContact O-N 3.39Å; L429-A433 WeakPolarHBondContact O-CB 3.36Å; L429-A433 PolarHBondContact O-N 3.03Å; L429-D525 HydrophobicContact CD2-CB 3.96Å; L429-A529 HydrophobicContact CD2-CB 4.36Å |
| 430 | P | 71.4 | Confident | 80.9 | Confident | 58 Ų | 58 | 32.7 Ų | 32.7 | 38% | 0.377 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -63.9 | -37.9 | 176.4 | -24.4 | 37.1 | 0 | 0 | 0 | 112.7 | L407 R426 | L407-P430 HydrophobicContact CD1-CB 4.3Å; L407-P430 HydrophobicContact CD1-CG 4.14Å; R426-P430 VanDerWaalsContact O-CD 3.23Å; R426-P430 WeakPolarHBondContact O-CD 3.21Å; R426-P430 VanDerWaalsContact O-CG 3.28Å; R426-P430 WeakPolarHBondContact O-CG 3.48Å |
| 431 | V | 78.1 | Confident | 81.1 | Confident | 22 Ų | 22 | 31.7 Ų | 31.7 | 13% | 0.133 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.6 | -38.6 | 174.9 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | L80 Y96 F427 L429 T434 I435 | L80-V431 HydrophobicContact CD2-CG1 4.11Å; Y96-V431 HydrophobicContact CE2-CG1 4.21Å; F427-V431 VanDerWaalsContact O-CG2 3.22Å; F427-V431 WeakPolarHBondContact O-CG2 3.33Å; L429-V431 VanDerWaalsContact C-N 3.31Å; L429-V431 PolarHBondContact O-N 3.46Å; V431-T434 PolarHBondContact O-N 2.98Å; V431-T434 PolarHBondContact O-OG1 3.49Å; V431-I435 HydrophobicContact CG1-CD1 3.76Å; V431-I435 HydrophobicContact CG1-CG1 4.38Å; V431-I435 WeakPolarHBondContact O-CB 3.32Å; V431-I435 PolarHBondContact O-N 3.22Å |
| 432 | G | 77.3 | Confident | 81.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65 | -44.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y96 V428 L429 T434 I435 N436 D525 | Y96-G432 VanDerWaalsContact CE2-CA 3.45Å; Y96-G432 VanDerWaalsContact CZ-CA 3.5Å; Y96-G432 WeakPolarHBondContact OH-CA 3.41Å; V428-G432 PolarHBondContact O-N 3.49Å; L429-G432 PolarHBondContact O-N 3.39Å; G432-T434 PolarHBondContact O-N 2.91Å; G432-I435 PolarHBondContact O-N 3.03Å; G432-N436 WeakPolarHBondContact O-CA 3.38Å; G432-N436 WeakPolarHBondContact O-CB 3.33Å; G432-N436 PolarHBondContact O-N 3.34Å; G432-D525 VanDerWaalsContact C-OD1 3.31Å; G432-D525 VanDerWaalsContact CA-OD1 3.24Å; G432-D525 WeakPolarHBondContact CA-OD1 3.46Å |
| 433 | A | 72.6 | Confident | 82.4 | Confident | 8 Ų | 8 | 23.5 Ų | 23.5 | 7% | 0.066 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.7 | -17.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L407 L429 D525 | L407-A433 HydrophobicContact CD1-CB 4.07Å; L429-A433 WeakPolarHBondContact O-CB 3.36Å; L429-A433 PolarHBondContact O-N 3.03Å; A433-D525 PolarHBondContact N-OD2 2.94Å |
| 434 | T | 72.1 | Confident | 83.2 | Confident | 56 Ų | 56 | 18.3 Ų | 18.3 | 34% | 0.344 | 9% | 0.091 | S | C | . | . | H | α-helix | trans | -100 | -47.9 | 173.9 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | V431 G432 A479 | V431-T434 PolarHBondContact O-N 2.98Å; V431-T434 PolarHBondContact O-OG1 3.49Å; G432-T434 PolarHBondContact O-N 2.91Å; T434-A479 HydrophobicContact CG2-CB 4.02Å |
| 435 | I | 79.1 | Confident | 83.7 | Confident | 7 Ų | 7 | 18.2 Ų | 18.2 | 4% | 0.036 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -91.3 | -40 | -170.9 | -58.9 | -177.9 | 0 | 0 | 0 | 112.6 | L80 V93 Y96 V431 G432 M437 I476 | L80-I435 HydrophobicContact CD1-CD1 4.11Å; L80-I435 HydrophobicContact CD2-CD1 4.06Å; V93-I435 HydrophobicContact CG2-CD1 4.43Å; Y96-I435 HydrophobicContact CD2-CB 4.47Å; Y96-I435 HydrophobicContact CD2-CG2 4.48Å; V431-I435 HydrophobicContact CG1-CD1 3.76Å; V431-I435 HydrophobicContact CG1-CG1 4.38Å; V431-I435 WeakPolarHBondContact O-CB 3.32Å; V431-I435 PolarHBondContact O-N 3.22Å; G432-I435 PolarHBondContact O-N 3.03Å; I435-M437 PolarHBondContact O-N 3.36Å; I435-I476 HydrophobicContact CG1-CG2 4.38Å; I435-I476 HydrophobicContact CG2-CG1 4.27Å; I435-I476 HydrophobicContact CG2-CG2 4.39Å |
| 436 | N | 85.2 | Confident | 84.5 | Confident | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | trans | -90.5 | 84.4 | -167.5 | -174.6 | 39.5 | 0 | 0 | 0 | 111.9 | Y96 T99 G432 D438 D525 | Y96-N436 HydrophobicContact CD1-CB 3.4Å; Y96-N436 HydrophobicContact CD2-CB 4.01Å; Y96-N436 HydrophobicContact CE1-CB 3.62Å; Y96-N436 WeakPolarHBondContact CE1-ND2 3.23Å; Y96-N436 HydrophobicContact CE2-CB 4.21Å; Y96-N436 HydrophobicContact CG-CB 3.61Å; T99-N436 PolarHBondContact OG1-OD1 3.5Å; G432-N436 WeakPolarHBondContact O-CA 3.38Å; G432-N436 WeakPolarHBondContact O-CB 3.33Å; G432-N436 PolarHBondContact O-N 3.34Å; N436-D438 PolarHBondContact OD1-OD1 3.32Å; N436-D438 VanDerWaalsContact OD1-OD1 3.06Å; N436-D525 VanDerWaalsContact CB-OD1 3.3Å; N436-D525 WeakPolarHBondContact CB-OD1 3.4Å; N436-D525 PolarHBondContact ND2-N 3.4Å; N436-D525 PolarHBondContact ND2-OD1 3.4Å | ||
| 437 | M | 87.2 | Confident | 85.5 | Confident | 7 Ų | 7 | 11.5 Ų | 11.5 | 3% | 0.034 | 7% | 0.065 | C | C | . | . | trans | -115.2 | 47.5 | -175.5 | -70.5 | -126.4 | -169 | 0 | 0 | 112.9 | N401 I435 G439 T440 A441 S475 A478 A479 | N401-M437 WeakPolarHBondContact ND2-CE 3.28Å; I435-M437 PolarHBondContact O-N 3.36Å; M437-G439 VanDerWaalsContact C-N 3.32Å; M437-G439 PolarHBondContact O-N 3.16Å; M437-T440 WeakPolarHBondContact O-CA 3.21Å; M437-T440 WeakPolarHBondContact O-CB 3.48Å; M437-T440 PolarHBondContact O-N 3.18Å; M437-A441 PolarHBondContact O-N 3.02Å; M437-S475 WeakPolarHBondContact CB-O 3.35Å; M437-S475 VanDerWaalsContact CG-O 3.29Å; M437-S475 WeakPolarHBondContact CG-O 3.36Å; M437-A478 HydrophobicContact CE-CB 3.97Å; M437-A478 HydrophobicContact SD-CB 3.6Å; M437-A478 VanDerWaalsContact SD-CB 3.6Å; M437-A479 HydrophobicContact CE-CB 4.48Å | ||
| 438 | D | 92.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -45.5 | -49.8 | -179.2 | -71.5 | -1.5 | 0 | 0 | 0 | 114.2 | T99 T100 A103 H307 N436 T440 A441 L442 I520 N521 | T99-D438 PolarHBondContact OG1-OD1 2.92Å; T100-D438 WeakPolarHBondContact CA-OD1 3.24Å; T100-D438 WeakPolarHBondContact CB-OD1 3.38Å; T100-D438 PolarHBondContact N-OD1 3.31Å; T100-D438 PolarHBondContact OG1-OD1 3.01Å; A103-D438 HydrophobicContact CB-CB 4Å; H307-D438 IonicContact CD2-OD2 2.8Å; H307-D438 IonicContact CE1-OD2 3.44Å; H307-D438 IonicContact NE2-OD2 3.03Å; H307-D438 PolarHBondContact NE2-OD2 3.45Å; N436-D438 PolarHBondContact OD1-OD1 3.32Å; N436-D438 VanDerWaalsContact OD1-OD1 3.06Å; D438-T440 VanDerWaalsContact C-N 3.29Å; D438-T440 PolarHBondContact O-N 3.1Å; D438-A441 PolarHBondContact O-N 2.96Å; D438-L442 WeakPolarHBondContact O-CB 3.37Å; D438-L442 PolarHBondContact O-N 2.95Å; D438-I520 HydrophobicContact CB-CG2 4.34Å; D438-N521 PolarHBondContact N-OD1 3.34Å |
| 439 | G | 90.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -68.9 | -28.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L304 M437 Y443 R517 N521 | L304-G439 VanDerWaalsContact CD2-CA 3.47Å; M437-G439 VanDerWaalsContact C-N 3.32Å; M437-G439 PolarHBondContact O-N 3.16Å; G439-Y443 VanDerWaalsContact O-CB 3.28Å; G439-Y443 WeakPolarHBondContact O-CB 3.48Å; G439-Y443 PolarHBondContact O-N 3.21Å; G439-R517 WeakPolarHBondContact O-CD 3.09Å; G439-R517 WeakPolarHBondContact O-CG 3.48Å; G439-N521 WeakPolarHBondContact CA-OD1 3.39Å; G439-N521 PolarHBondContact N-OD1 3.44Å |
| 440 | T | 89.8 | Confident | 87.2 | Confident | 7 Ų | 7 | 8.5 Ų | 8.5 | 4% | 0.043 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -72.2 | -48 | 174.4 | -55.5 | 0 | 0 | 0 | 0 | 110.3 | M437 D438 L442 Y443 E444 A478 | M437-T440 WeakPolarHBondContact O-CA 3.21Å; M437-T440 WeakPolarHBondContact O-CB 3.48Å; M437-T440 PolarHBondContact O-N 3.18Å; D438-T440 VanDerWaalsContact C-N 3.29Å; D438-T440 PolarHBondContact O-N 3.1Å; T440-L442 PolarHBondContact O-N 3.35Å; T440-Y443 PolarHBondContact O-N 3.47Å; T440-E444 WeakPolarHBondContact CG2-OE1 3.35Å; T440-E444 WeakPolarHBondContact O-CG 3.25Å; T440-E444 PolarHBondContact O-N 3.43Å; T440-A478 HydrophobicContact CG2-CB 4.39Å |
| 441 | A | 92.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T100 V104 M437 D438 Y443 E444 A445 | T100-A441 HydrophobicContact CG2-CB 3.48Å; T100-A441 VanDerWaalsContact CG2-CB 3.48Å; V104-A441 HydrophobicContact CG2-CB 3.48Å; V104-A441 VanDerWaalsContact CG2-CB 3.48Å; M437-A441 PolarHBondContact O-N 3.02Å; D438-A441 PolarHBondContact O-N 2.96Å; A441-Y443 PolarHBondContact O-N 2.89Å; A441-E444 PolarHBondContact O-N 3.3Å; A441-A445 PolarHBondContact O-N 3.49Å |
| 442 | L | 95.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -59.4 | -47 | 175.4 | -176.4 | 155.5 | 0 | 0 | 0 | 111.4 | A103 V106 G303 L304 H307 D438 T440 A445 V446 | A103-L442 HydrophobicContact CB-CB 4.22Å; A103-L442 WeakPolarHBondContact O-CD1 3.34Å; A103-L442 WeakPolarHBondContact O-CG 3.36Å; V106-L442 HydrophobicContact CB-CD1 4.47Å; V106-L442 HydrophobicContact CG1-CD1 4.23Å; G303-L442 WeakPolarHBondContact O-CD1 3.27Å; L304-L442 HydrophobicContact CD2-CD1 4.48Å; L304-L442 HydrophobicContact CD2-CD2 4.1Å; L304-L442 HydrophobicContact CG-CD2 4.18Å; H307-L442 HydrophobicContact CB-CD1 4.07Å; D438-L442 WeakPolarHBondContact O-CB 3.37Å; D438-L442 PolarHBondContact O-N 2.95Å; T440-L442 PolarHBondContact O-N 3.35Å; L442-A445 PolarHBondContact O-N 2.87Å; L442-V446 HydrophobicContact CD2-CG2 4.1Å; L442-V446 VanDerWaalsContact O-CG2 3.23Å; L442-V446 WeakPolarHBondContact O-CG2 3.4Å; L442-V446 PolarHBondContact O-N 3.26Å; L442-V446 VanDerWaalsContact O-N 3.08Å |
| 443 | Y | 93.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 6.3 Ų | 6.3 | 0% | 0.004 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -62.1 | -42.1 | 178.7 | 160.4 | -95 | 0 | 0 | 0 | 112.3 | Y296 V300 G439 T440 A441 V446 A447 M489 I506 D510 L513 R517 | Y296-Y443 VanDerWaalsContact OH-CD2 3.32Å; Y296-Y443 WeakPolarHBondContact OH-CD2 3.49Å; Y296-Y443 WeakPolarHBondContact OH-CE2 3.4Å; V300-Y443 HydrophobicContact CG1-CD2 4.12Å; V300-Y443 HydrophobicContact CG2-CD2 4.34Å; G439-Y443 VanDerWaalsContact O-CB 3.28Å; G439-Y443 WeakPolarHBondContact O-CB 3.48Å; G439-Y443 PolarHBondContact O-N 3.21Å; T440-Y443 PolarHBondContact O-N 3.47Å; A441-Y443 PolarHBondContact O-N 2.89Å; Y443-V446 PolarHBondContact O-N 3.39Å; Y443-A447 WeakPolarHBondContact O-CB 3.47Å; Y443-A447 PolarHBondContact O-N 2.64Å; Y443-M489 HydrophobicContact CD1-CE 3.6Å; Y443-M489 HydrophobicContact CE1-CE 3.12Å; Y443-M489 HydrophobicContact CG-CE 4.49Å; Y443-I506 HydrophobicContact CE2-CG2 4.1Å; Y443-I506 WeakPolarHBondContact OH-CG2 3.5Å; Y443-D510 PolarHBondContact OH-OD1 3.28Å; Y443-L513 HydrophobicContact CD2-CD1 4.46Å; Y443-L513 HydrophobicContact CE2-CD1 4.15Å; Y443-R517 VanDerWaalsContact CB-CD 3.45Å |
| 444 | E | 92.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -60.5 | -47.1 | 176.9 | -78.3 | 169.9 | -168.3 | 0 | 0 | 112.4 | T440 A441 A447 A448 A471 T488 M489 V492 | T440-E444 WeakPolarHBondContact CG2-OE1 3.35Å; T440-E444 WeakPolarHBondContact O-CG 3.25Å; T440-E444 PolarHBondContact O-N 3.43Å; A441-E444 PolarHBondContact O-N 3.3Å; E444-A447 PolarHBondContact O-N 2.73Å; E444-A448 WeakPolarHBondContact O-CB 3.37Å; E444-A448 PolarHBondContact O-N 3.19Å; E444-A471 HydrophobicContact CB-CB 3.97Å; E444-T488 WeakPolarHBondContact OE1-CB 3.44Å; E444-T488 PolarHBondContact OE1-OG1 2.89Å; E444-M489 HydrophobicContact CB-CE 4.32Å; E444-M489 HydrophobicContact CB-SD 4.47Å; E444-M489 HydrophobicContact CG-CE 3.93Å; E444-M489 HydrophobicContact CG-SD 4.36Å; E444-V492 HydrophobicContact CB-CG2 4.16Å; E444-V492 HydrophobicContact CG-CG2 4.44Å |
| 445 | A | 94.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -62.7 | -45.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V104 I108 A441 L442 A448 I449 I467 A471 | V104-A445 HydrophobicContact CG1-CB 4.01Å; I108-A445 HydrophobicContact CG1-CB 4.05Å; A441-A445 PolarHBondContact O-N 3.49Å; L442-A445 PolarHBondContact O-N 2.87Å; A445-A448 PolarHBondContact O-N 3.15Å; A445-I449 WeakPolarHBondContact O-CG1 3.22Å; A445-I449 PolarHBondContact O-N 2.97Å; A445-I467 HydrophobicContact CB-CG2 4.18Å; A445-A471 HydrophobicContact CB-CB 4.5Å |
| 446 | V | 95.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -64.4 | -42.4 | 179.3 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | G107 V111 Y296 T299 V300 L442 Y443 F450 | G107-V446 VanDerWaalsContact CA-CG2 3.48Å; G107-V446 VanDerWaalsContact O-CG2 3.3Å; G107-V446 WeakPolarHBondContact O-CG2 3.23Å; V111-V446 HydrophobicContact CB-CB 4.47Å; V111-V446 HydrophobicContact CB-CG1 4.08Å; V111-V446 HydrophobicContact CB-CG2 4.38Å; V111-V446 HydrophobicContact CG2-CG1 4.15Å; Y296-V446 HydrophobicContact CD2-CG1 4.11Å; Y296-V446 HydrophobicContact CE2-CG1 3.92Å; T299-V446 HydrophobicContact CG2-CG1 3.78Å; V300-V446 HydrophobicContact CG2-CB 4.15Å; V300-V446 HydrophobicContact CG2-CG1 3.6Å; L442-V446 HydrophobicContact CD2-CG2 4.1Å; L442-V446 VanDerWaalsContact O-CG2 3.23Å; L442-V446 WeakPolarHBondContact O-CG2 3.4Å; L442-V446 PolarHBondContact O-N 3.26Å; L442-V446 VanDerWaalsContact O-N 3.08Å; Y443-V446 PolarHBondContact O-N 3.39Å; V446-F450 WeakPolarHBondContact O-CB 3.3Å; V446-F450 PolarHBondContact O-N 3.21Å |
| 447 | A | 92.6 | Very high | 90 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.2 | -42.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | Y296 Y443 E444 I449 F450 I451 M489 I506 | Y296-A447 HydrophobicContact CE2-CB 4.01Å; Y443-A447 WeakPolarHBondContact O-CB 3.47Å; Y443-A447 PolarHBondContact O-N 2.64Å; E444-A447 PolarHBondContact O-N 2.73Å; A447-I449 PolarHBondContact O-N 3.33Å; A447-F450 PolarHBondContact O-N 3.18Å; A447-I451 WeakPolarHBondContact O-CG1 3.31Å; A447-I451 PolarHBondContact O-N 3.05Å; A447-M489 HydrophobicContact CB-CE 3.18Å; A447-M489 HydrophobicContact CB-SD 3.45Å; A447-M489 WeakPolarHBondContact CB-SD 3.49Å; A447-I506 HydrophobicContact CB-CD1 3.7Å |
| 448 | A | 92 | Very high | 89.6 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.7 | -46.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E444 A445 I451 A452 I467 V492 L493 | E444-A448 WeakPolarHBondContact O-CB 3.37Å; E444-A448 PolarHBondContact O-N 3.19Å; A445-A448 PolarHBondContact O-N 3.15Å; A448-I451 PolarHBondContact O-N 3.43Å; A448-A452 PolarHBondContact O-N 2.98Å; A448-I467 HydrophobicContact CB-CD1 4.12Å; A448-I467 HydrophobicContact CB-CG1 4.28Å; A448-I467 HydrophobicContact CB-CG2 4.04Å; A448-V492 HydrophobicContact CB-CG1 3.85Å; A448-L493 HydrophobicContact CB-CD2 4.1Å |
| 449 | I | 93 | Very high | 88.9 | Confident | 8 Ų | 8 | 25 Ų | 25 | 4% | 0.041 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.6 | -39 | 177.4 | -63.5 | 168.6 | 0 | 0 | 0 | 110.9 | I108 V111 A445 A447 I451 A452 Q453 L459 I467 | I108-I449 HydrophobicContact CB-CD1 4.2Å; I108-I449 HydrophobicContact CG1-CD1 3.85Å; I108-I449 HydrophobicContact CG2-CD1 4Å; V111-I449 HydrophobicContact CB-CG2 4.46Å; V111-I449 HydrophobicContact CG1-CB 3.76Å; V111-I449 HydrophobicContact CG1-CD1 3.57Å; V111-I449 HydrophobicContact CG1-CG1 4.25Å; V111-I449 HydrophobicContact CG1-CG2 3.69Å; V111-I449 HydrophobicContact CG2-CB 4.13Å; V111-I449 HydrophobicContact CG2-CG2 3.9Å; A445-I449 WeakPolarHBondContact O-CG1 3.22Å; A445-I449 PolarHBondContact O-N 2.97Å; A447-I449 PolarHBondContact O-N 3.33Å; I449-I451 PolarHBondContact O-N 3.11Å; I449-A452 WeakPolarHBondContact O-CB 3.36Å; I449-A452 PolarHBondContact O-N 3.1Å; I449-Q453 HydrophobicContact CG2-CG 4.33Å; I449-Q453 VanDerWaalsContact O-CG 3.28Å; I449-Q453 WeakPolarHBondContact O-CG 3.19Å; I449-Q453 PolarHBondContact O-N 3.32Å; I449-L459 HydrophobicContact CB-CD1 4.33Å; I449-L459 HydrophobicContact CG1-CD1 3.89Å; I449-L459 HydrophobicContact CG2-CD1 4.34Å; I449-I467 HydrophobicContact CG1-CD1 4.19Å |
| 450 | F | 92.9 | Very high | 88.4 | Confident | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.9 | -45.2 | 174.9 | 169.2 | -112.1 | 0 | 0 | 0 | 112.3 | P116 K292 L293 Y296 V446 A447 A452 Q453 V454 I506 | P116-F450 HydrophobicContact CB-CD2 3.98Å; P116-F450 HydrophobicContact CB-CE2 4.26Å; P116-F450 HydrophobicContact CG-CD2 3.86Å; K292-F450 HydrophobicContact CB-CE2 4.1Å; K292-F450 HydrophobicContact CB-CZ 4.26Å; L293-F450 HydrophobicContact CD1-CE1 4.36Å; Y296-F450 HydrophobicContact CD2-CB 3.7Å; Y296-F450 AromaticContact CD2-CD1 3.57Å; Y296-F450 HydrophobicContact CD2-CD1 3.57Å; Y296-F450 HydrophobicContact CD2-CD2 4.19Å; Y296-F450 HydrophobicContact CD2-CE1 4.21Å; Y296-F450 AromaticContact CD2-CG 3.54Å; Y296-F450 HydrophobicContact CD2-CG 3.54Å; Y296-F450 HydrophobicContact CE2-CB 4.22Å; Y296-F450 HydrophobicContact CE2-CD1 4.13Å; Y296-F450 HydrophobicContact CE2-CG 4.33Å; Y296-F450 AromaticContact CG-CD1 3.81Å; Y296-F450 HydrophobicContact CG-CD1 3.81Å; Y296-F450 HydrophobicContact CG-CD2 4.35Å; Y296-F450 AromaticContact CG-CE1 3.97Å; Y296-F450 HydrophobicContact CG-CE1 3.97Å; Y296-F450 HydrophobicContact CG-CE2 4.47Å; Y296-F450 HydrophobicContact CG-CG 4Å; Y296-F450 HydrophobicContact CG-CZ 4.28Å; V446-F450 WeakPolarHBondContact O-CB 3.3Å; V446-F450 PolarHBondContact O-N 3.21Å; A447-F450 PolarHBondContact O-N 3.18Å; F450-A452 VanDerWaalsContact C-N 3.32Å; F450-A452 PolarHBondContact O-N 2.87Å; F450-Q453 PolarHBondContact O-N 3.42Å; F450-V454 HydrophobicContact CD1-CG2 4.45Å; F450-V454 HydrophobicContact CD2-CG2 3.9Å; F450-V454 HydrophobicContact CE1-CG2 4.04Å; F450-V454 HydrophobicContact CE2-CG2 3.45Å; F450-V454 VanDerWaalsContact CE2-CG2 3.45Å; F450-V454 HydrophobicContact CG-CG2 4.4Å; F450-V454 HydrophobicContact CZ-CG2 3.53Å; F450-V454 VanDerWaalsContact O-CG2 3.31Å; F450-V454 WeakPolarHBondContact O-CG2 3.44Å; F450-V454 PolarHBondContact O-N 3.49Å; F450-I506 HydrophobicContact CD1-CD1 4.21Å; F450-I506 HydrophobicContact CD1-CG1 4.44Å; F450-I506 HydrophobicContact CE1-CG1 4.4Å |
| 451 | I | 89.3 | Confident | 88 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.6 | -41.4 | 176.7 | -73 | 168.1 | 0 | 0 | 0 | 110.6 | A447 A448 I449 Q453 V454 N455 L493 D502 I503 I506 | A447-I451 WeakPolarHBondContact O-CG1 3.31Å; A447-I451 PolarHBondContact O-N 3.05Å; A448-I451 PolarHBondContact O-N 3.43Å; I449-I451 PolarHBondContact O-N 3.11Å; I451-Q453 VanDerWaalsContact C-N 3.35Å; I451-Q453 PolarHBondContact O-N 3.15Å; I451-V454 PolarHBondContact O-N 3.3Å; I451-N455 PolarHBondContact O-N 3.15Å; I451-N455 VanDerWaalsContact O-N 3.17Å; I451-N455 PolarHBondContact O-ND2 2.85Å; I451-L493 HydrophobicContact CB-CD2 4.24Å; I451-L493 HydrophobicContact CD1-CD1 3.65Å; I451-L493 HydrophobicContact CD1-CD2 3.93Å; I451-L493 HydrophobicContact CD1-CG 4.41Å; I451-L493 HydrophobicContact CG2-CD2 4.19Å; I451-D502 HydrophobicContact CD1-CB 4.48Å; I451-D502 HydrophobicContact CG1-CB 4.26Å; I451-D502 HydrophobicContact CG2-CB 4Å; I451-I503 HydrophobicContact CD1-CG1 4.43Å; I451-I506 HydrophobicContact CD1-CD1 3.68Å; I451-I506 HydrophobicContact CG1-CD1 3.97Å |
| 452 | A | 88.3 | Confident | 87.2 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.1 | -46.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A448 I449 F450 V454 N455 N456 Y457 L459 L498 | A448-A452 PolarHBondContact O-N 2.98Å; I449-A452 WeakPolarHBondContact O-CB 3.36Å; I449-A452 PolarHBondContact O-N 3.1Å; F450-A452 VanDerWaalsContact C-N 3.32Å; F450-A452 PolarHBondContact O-N 2.87Å; A452-V454 PolarHBondContact O-N 3.12Å; A452-N455 CarbonylContact O-C 3.43Å; A452-N455 PolarHBondContact O-N 3.13Å; A452-N456 PolarHBondContact O-N 2.89Å; A452-N456 VanDerWaalsContact O-N 3.13Å; A452-Y457 PolarHBondContact O-N 2.98Å; A452-L459 HydrophobicContact CB-CD1 3.6Å; A452-L459 HydrophobicContact CB-CD2 3.88Å; A452-L459 HydrophobicContact CB-CG 3.66Å; A452-L498 HydrophobicContact CB-CD1 4Å; A452-L498 HydrophobicContact CB-CD2 4.12Å |
| 453 | Q | 89.5 | Confident | 86.5 | Confident | 31 Ų | 31 | 34.7 Ų | 34.7 | 15% | 0.145 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.1 | -40.7 | 177.9 | -70.5 | 174.2 | -3.7 | 0 | 0 | 112.7 | H115 I449 F450 I451 N455 N456 | H115-Q453 PolarHBondContact CD2-NE2 2.98Å; I449-Q453 HydrophobicContact CG2-CG 4.33Å; I449-Q453 VanDerWaalsContact O-CG 3.28Å; I449-Q453 WeakPolarHBondContact O-CG 3.19Å; I449-Q453 PolarHBondContact O-N 3.32Å; F450-Q453 PolarHBondContact O-N 3.42Å; I451-Q453 VanDerWaalsContact C-N 3.35Å; I451-Q453 PolarHBondContact O-N 3.15Å; Q453-N455 VanDerWaalsContact C-N 3.26Å; Q453-N455 PolarHBondContact O-N 2.98Å; Q453-N456 PolarHBondContact O-N 3.1Å |
| 454 | V | 83.8 | Confident | 86.3 | Confident | 22 Ų | 22 | 37 Ų | 37 | 13% | 0.133 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.4 | -34.6 | 179.7 | 169.6 | 0 | 0 | 0 | 0 | 111.7 | K292 F450 I451 A452 | K292-V454 HydrophobicContact CD-CG2 4.16Å; F450-V454 HydrophobicContact CD1-CG2 4.45Å; F450-V454 HydrophobicContact CD2-CG2 3.9Å; F450-V454 HydrophobicContact CE1-CG2 4.04Å; F450-V454 HydrophobicContact CE2-CG2 3.45Å; F450-V454 VanDerWaalsContact CE2-CG2 3.45Å; F450-V454 HydrophobicContact CG-CG2 4.4Å; F450-V454 HydrophobicContact CZ-CG2 3.53Å; F450-V454 VanDerWaalsContact O-CG2 3.31Å; F450-V454 WeakPolarHBondContact O-CG2 3.44Å; F450-V454 PolarHBondContact O-N 3.49Å; I451-V454 PolarHBondContact O-N 3.3Å; A452-V454 PolarHBondContact O-N 3.12Å |
| 455 | N | 81.6 | Confident | 86 | Confident | 53 Ų | 53 | 39.3 Ų | 39.3 | 28% | 0.283 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 6.5 | 179.5 | -72.9 | -70.7 | 0 | 0 | 0 | 114.2 | I451 A452 Q453 Y457 D502 | I451-N455 PolarHBondContact O-N 3.15Å; I451-N455 VanDerWaalsContact O-N 3.17Å; I451-N455 PolarHBondContact O-ND2 2.85Å; A452-N455 CarbonylContact O-C 3.43Å; A452-N455 PolarHBondContact O-N 3.13Å; Q453-N455 VanDerWaalsContact C-N 3.26Å; Q453-N455 PolarHBondContact O-N 2.98Å; N455-Y457 HydrophobicContact CB-CD2 3.39Å; N455-Y457 HydrophobicContact CB-CE2 3.44Å; N455-Y457 VanDerWaalsContact CB-CE2 3.44Å; N455-Y457 HydrophobicContact CB-CG 4.48Å; N455-Y457 PolarHBondContact O-N 3.26Å; N455-D502 PolarHBondContact ND2-OD2 2.62Å; N455-D502 PolarHBondContact OD1-OD2 3.44Å |
| 456 | N | 81.4 | Confident | 85.4 | Confident | 100 Ų | 100 | 40 Ų | 40 | 54% | 0.535 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 36.6 | -176.5 | -53.7 | -55.5 | 0 | 0 | 0 | 113.2 | Q121 A452 Q453 | Q121-N456 PolarHBondContact OE1-OD1 3.07Å; A452-N456 PolarHBondContact O-N 2.89Å; A452-N456 VanDerWaalsContact O-N 3.13Å; Q453-N456 PolarHBondContact O-N 3.1Å |
| 457 | Y | 80.1 | Confident | 85.1 | Confident | 87 Ų | 87 | 40 Ų | 40 | 34% | 0.341 | 19% | 0.194 | S | C | . | . | P | Polyproline II helix | trans | -82.9 | 121.5 | 166.2 | -70.2 | -71.5 | 0 | 0 | 0 | 109.2 | K130 A452 N455 L459 L498 P499 | K130-Y457 VanDerWaalsContact NZ-CE1 3.3Å; A452-Y457 PolarHBondContact O-N 2.98Å; N455-Y457 HydrophobicContact CB-CD2 3.39Å; N455-Y457 HydrophobicContact CB-CE2 3.44Å; N455-Y457 VanDerWaalsContact CB-CE2 3.44Å; N455-Y457 HydrophobicContact CB-CG 4.48Å; N455-Y457 PolarHBondContact O-N 3.26Å; Y457-L459 PolarHBondContact O-N 3.35Å; Y457-L498 HydrophobicContact CD2-CD2 3.57Å; Y457-L498 HydrophobicContact CE2-CD2 4.11Å; Y457-L498 HydrophobicContact CG-CD2 3.92Å; Y457-P499 HydrophobicContact CE2-CG 4.05Å |
| 458 | E | 78.2 | Confident | 85.1 | Confident | 173 Ų | 173 | 40.3 Ų | 40.3 | 81% | 0.808 | 20% | 0.196 | S | C | * | . | P | Polyproline II helix | trans | -75 | 118.9 | 165.7 | -64.6 | -171.9 | 166.5 | 0 | 0 | 108.4 | ||
| 459 | L | 79.4 | Confident | 84.8 | Confident | 36 Ų | 36 | 43.6 Ų | 43.6 | 19% | 0.188 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -87.6 | 122.9 | 175.9 | -67.9 | 175.5 | 0 | 0 | 0 | 109.2 | I449 A452 Y457 Q463 I464 I467 L498 | I449-L459 HydrophobicContact CB-CD1 4.33Å; I449-L459 HydrophobicContact CG1-CD1 3.89Å; I449-L459 HydrophobicContact CG2-CD1 4.34Å; A452-L459 HydrophobicContact CB-CD1 3.6Å; A452-L459 HydrophobicContact CB-CD2 3.88Å; A452-L459 HydrophobicContact CB-CG 3.66Å; Y457-L459 PolarHBondContact O-N 3.35Å; L459-Q463 HydrophobicContact CD2-CB 4.23Å; L459-I464 HydrophobicContact CB-CG1 4.2Å; L459-I467 HydrophobicContact CD1-CD1 3.91Å; L459-I467 HydrophobicContact CD2-CD1 4.5Å; L459-L498 HydrophobicContact CD2-CD1 4.49Å |
| 460 | D | 79.6 | Confident | 84.4 | Confident | 32 Ų | 32 | 43.5 Ų | 43.5 | 17% | 0.171 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -72.4 | 158.9 | 171.2 | 178.2 | 56.7 | 0 | 0 | 0 | 111.4 | S135 A138 G462 Q463 I464 | S135-D460 VanDerWaalsContact CA-OD2 3.24Å; S135-D460 WeakPolarHBondContact CA-OD2 3.38Å; S135-D460 WeakPolarHBondContact CB-OD1 3.36Å; S135-D460 PolarHBondContact OG-OD1 3.34Å; A138-D460 WeakPolarHBondContact CB-OD2 3.47Å; D460-G462 PolarHBondContact O-N 2.94Å; D460-G462 PolarHBondContact OD2-N 2.63Å; D460-Q463 WeakPolarHBondContact O-CB 3.07Å; D460-Q463 PolarHBondContact O-N 3.47Å; D460-I464 PolarHBondContact O-N 3.17Å |
| 461 | F | 82.1 | Confident | 84.2 | Confident | 135 Ų | 135 | 43.3 Ų | 43.3 | 59% | 0.592 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -53 | -40.3 | 176 | -177.2 | -106.6 | 0 | 0 | 0 | 112.6 | Q463 I464 I465 | F461-Q463 VanDerWaalsContact C-N 3.33Å; F461-Q463 PolarHBondContact O-N 3.11Å; F461-I464 PolarHBondContact O-N 2.87Å; F461-I465 HydrophobicContact CD1-CD1 3.83Å; F461-I465 HydrophobicContact CE1-CD1 3.3Å; F461-I465 HydrophobicContact CE1-CG1 4.26Å; F461-I465 HydrophobicContact CE2-CD1 4.47Å; F461-I465 HydrophobicContact CZ-CD1 3.68Å; F461-I465 HydrophobicContact CZ-CG1 4.31Å; F461-I465 PolarHBondContact O-N 2.89Å; F461-I465 VanDerWaalsContact O-N 3.1Å |
| 462 | G | 76.1 | Confident | 84.2 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.6 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D460 I464 I465 T466 | D460-G462 PolarHBondContact O-N 2.94Å; D460-G462 PolarHBondContact OD2-N 2.63Å; G462-I464 PolarHBondContact O-N 3.38Å; G462-I465 PolarHBondContact O-N 2.93Å; G462-T466 PolarHBondContact O-N 3.31Å; G462-T466 PolarHBondContact O-OG1 3.35Å |
| 463 | Q | 81.3 | Confident | 83.9 | Confident | 43 Ų | 43 | 45 Ų | 45 | 20% | 0.201 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.3 | -35 | 178.8 | -64.1 | 175.9 | -62.5 | 0 | 0 | 112.4 | L459 D460 F461 I465 T466 I467 V496 | L459-Q463 HydrophobicContact CD2-CB 4.23Å; D460-Q463 WeakPolarHBondContact O-CB 3.07Å; D460-Q463 PolarHBondContact O-N 3.47Å; F461-Q463 VanDerWaalsContact C-N 3.33Å; F461-Q463 PolarHBondContact O-N 3.11Å; Q463-I465 VanDerWaalsContact C-N 3.35Å; Q463-T466 WeakPolarHBondContact O-CB 3.41Å; Q463-T466 PolarHBondContact O-N 2.88Å; Q463-I467 WeakPolarHBondContact O-CG1 3.38Å; Q463-I467 PolarHBondContact O-N 3.49Å; Q463-V496 HydrophobicContact CB-CG1 4.16Å |
| 464 | I | 88.4 | Confident | 83.4 | Confident | 49 Ų | 49 | 43.7 Ų | 43.7 | 25% | 0.251 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 174.2 | -63.9 | 172.4 | 0 | 0 | 0 | 110.5 | I108 L459 D460 F461 G462 I467 S468 | I108-I464 HydrophobicContact CD1-CG2 4.14Å; I108-I464 HydrophobicContact CG2-CG2 3.99Å; L459-I464 HydrophobicContact CB-CG1 4.2Å; D460-I464 PolarHBondContact O-N 3.17Å; F461-I464 PolarHBondContact O-N 2.87Å; G462-I464 PolarHBondContact O-N 3.38Å; I464-I467 PolarHBondContact O-N 3.27Å; I464-S468 WeakPolarHBondContact O-CB 3.38Å; I464-S468 PolarHBondContact O-N 2.92Å |
| 465 | I | 86.8 | Confident | 83.3 | Confident | 49 Ų | 49 | 42.6 Ų | 42.6 | 25% | 0.251 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63 | -44.4 | 173.7 | -67.2 | 173.9 | 0 | 0 | 0 | 110.4 | L142 F461 G462 Q463 I467 S468 I469 | L142-I465 HydrophobicContact CD2-CB 4.3Å; L142-I465 HydrophobicContact CD2-CG2 3.67Å; F461-I465 HydrophobicContact CD1-CD1 3.83Å; F461-I465 HydrophobicContact CE1-CD1 3.3Å; F461-I465 HydrophobicContact CE1-CG1 4.26Å; F461-I465 HydrophobicContact CE2-CD1 4.47Å; F461-I465 HydrophobicContact CZ-CD1 3.68Å; F461-I465 HydrophobicContact CZ-CG1 4.31Å; F461-I465 PolarHBondContact O-N 2.89Å; F461-I465 VanDerWaalsContact O-N 3.1Å; G462-I465 PolarHBondContact O-N 2.93Å; Q463-I465 VanDerWaalsContact C-N 3.35Å; I465-I467 PolarHBondContact O-N 2.82Å; I465-S468 WeakPolarHBondContact O-CB 3.42Å; I465-S468 PolarHBondContact O-N 3.08Å; I465-S468 VanDerWaalsContact O-N 3.1Å; I465-I469 HydrophobicContact CG2-CD1 3.73Å; I465-I469 HydrophobicContact CG2-CG1 4.33Å; I465-I469 WeakPolarHBondContact O-CG1 3.48Å; I465-I469 PolarHBondContact O-N 2.94Å |
| 466 | T | 81.8 | Confident | 83.3 | Confident | 13 Ų | 13 | 41.3 Ų | 41.3 | 8% | 0.08 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.1 | -51.8 | 175.7 | -52.5 | 0 | 0 | 0 | 0 | 110.8 | L142 G462 Q463 S468 I469 T470 V496 | L142-T466 HydrophobicContact CD1-CG2 3.95Å; L142-T466 WeakPolarHBondContact CD1-OG1 3.39Å; G462-T466 PolarHBondContact O-N 3.31Å; G462-T466 PolarHBondContact O-OG1 3.35Å; Q463-T466 WeakPolarHBondContact O-CB 3.41Å; Q463-T466 PolarHBondContact O-N 2.88Å; T466-S468 PolarHBondContact O-N 3.35Å; T466-I469 PolarHBondContact O-N 3.38Å; T466-T470 HydrophobicContact CG2-CG2 4.06Å; T466-T470 WeakPolarHBondContact O-CB 3.44Å; T466-T470 VanDerWaalsContact O-CG2 3.26Å; T466-T470 WeakPolarHBondContact O-CG2 3.33Å; T466-T470 PolarHBondContact O-N 3.47Å; T466-T470 PolarHBondContact O-OG1 3.43Å; T466-V496 HydrophobicContact CG2-CG1 3.78Å |
| 467 | I | 89.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.8 | -42.4 | 176.8 | -70.3 | 164.8 | 0 | 0 | 0 | 110.6 | A445 A448 I449 L459 Q463 I464 I465 T470 A471 V492 V496 | A445-I467 HydrophobicContact CB-CG2 4.18Å; A448-I467 HydrophobicContact CB-CD1 4.12Å; A448-I467 HydrophobicContact CB-CG1 4.28Å; A448-I467 HydrophobicContact CB-CG2 4.04Å; I449-I467 HydrophobicContact CG1-CD1 4.19Å; L459-I467 HydrophobicContact CD1-CD1 3.91Å; L459-I467 HydrophobicContact CD2-CD1 4.5Å; Q463-I467 WeakPolarHBondContact O-CG1 3.38Å; Q463-I467 PolarHBondContact O-N 3.49Å; I464-I467 PolarHBondContact O-N 3.27Å; I465-I467 PolarHBondContact O-N 2.82Å; I467-T470 PolarHBondContact O-OG1 2.72Å; I467-A471 WeakPolarHBondContact O-CB 3.44Å; I467-A471 PolarHBondContact O-N 3.03Å; I467-V492 HydrophobicContact CB-CG1 4.49Å; I467-V492 HydrophobicContact CG1-CG1 4.43Å; I467-V492 HydrophobicContact CG2-CG1 4.02Å; I467-V496 HydrophobicContact CD1-CG1 4.26Å; I467-V496 HydrophobicContact CD1-CG2 4.33Å; I467-V496 HydrophobicContact CG1-CG1 3.66Å; I467-V496 HydrophobicContact CG1-CG2 4.12Å |
| 468 | S | 91.7 | Very high | 81.8 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 5% | 0.049 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.4 | -48.5 | -177.9 | -176.4 | 0 | 0 | 0 | 0 | 112.6 | V104 I464 I465 T466 T472 | V104-S468 WeakPolarHBondContact CG1-OG 3.33Å; I464-S468 WeakPolarHBondContact O-CB 3.38Å; I464-S468 PolarHBondContact O-N 2.92Å; I465-S468 WeakPolarHBondContact O-CB 3.42Å; I465-S468 PolarHBondContact O-N 3.08Å; I465-S468 VanDerWaalsContact O-N 3.1Å; T466-S468 PolarHBondContact O-N 3.35Å; S468-T472 WeakPolarHBondContact O-CB 3.45Å; S468-T472 PolarHBondContact O-N 3.48Å; S468-T472 VanDerWaalsContact O-N 3.15Å; S468-T472 PolarHBondContact O-OG1 3.15Å |
| 469 | I | 86.3 | Confident | 80.8 | Confident | 70 Ų | 70 | 25.2 Ų | 25.2 | 36% | 0.359 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -68.7 | -44.8 | 179.9 | -64.6 | 172.7 | 0 | 0 | 0 | 110.4 | L142 L223 I465 T466 T472 A473 | L142-I469 HydrophobicContact CD2-CD1 4.49Å; L223-I469 HydrophobicContact CD1-CG2 4.09Å; I465-I469 HydrophobicContact CG2-CD1 3.73Å; I465-I469 HydrophobicContact CG2-CG1 4.33Å; I465-I469 WeakPolarHBondContact O-CG1 3.48Å; I465-I469 PolarHBondContact O-N 2.94Å; T466-I469 PolarHBondContact O-N 3.38Å; I469-T472 PolarHBondContact O-N 3.03Å; I469-A473 WeakPolarHBondContact O-CB 3.29Å; I469-A473 PolarHBondContact O-N 2.94Å |
| 470 | T | 83.3 | Confident | 79.4 | Confident | 5 Ų | 5 | 23.8 Ų | 23.8 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -70.4 | -38 | -176.7 | 60 | 0 | 0 | 0 | 0 | 111.9 | L223 T466 I467 A473 A474 S495 | L223-T470 HydrophobicContact CB-CG2 4.11Å; L223-T470 HydrophobicContact CD1-CG2 3.7Å; L223-T470 HydrophobicContact CG-CG2 4.4Å; T466-T470 HydrophobicContact CG2-CG2 4.06Å; T466-T470 WeakPolarHBondContact O-CB 3.44Å; T466-T470 VanDerWaalsContact O-CG2 3.26Å; T466-T470 WeakPolarHBondContact O-CG2 3.33Å; T466-T470 PolarHBondContact O-N 3.47Å; T466-T470 PolarHBondContact O-OG1 3.43Å; I467-T470 PolarHBondContact O-OG1 2.72Å; T470-A473 PolarHBondContact O-N 2.88Å; T470-A474 WeakPolarHBondContact O-CB 3.38Å; T470-A474 PolarHBondContact O-N 3.27Å; T470-S495 WeakPolarHBondContact CG2-OG 3.17Å; T470-S495 PolarHBondContact OG1-OG 3.26Å; T470-S495 VanDerWaalsContact OG1-OG 3.11Å |
| 471 | A | 89.9 | Confident | 78.2 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V104 E444 A445 I467 A473 S475 V492 | V104-A471 HydrophobicContact CG2-CB 4.26Å; E444-A471 HydrophobicContact CB-CB 3.97Å; A445-A471 HydrophobicContact CB-CB 4.5Å; I467-A471 WeakPolarHBondContact O-CB 3.44Å; I467-A471 PolarHBondContact O-N 3.03Å; A471-A473 PolarHBondContact O-N 2.68Å; A471-S475 VanDerWaalsContact O-CB 3.3Å; A471-S475 WeakPolarHBondContact O-CB 3.39Å; A471-S475 PolarHBondContact O-N 3.47Å; A471-V492 HydrophobicContact CB-CG2 4.07Å |
| 472 | T | 88.8 | Confident | 76.6 | Confident | 18 Ų | 18 | 18 Ų | 18 | 11% | 0.11 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.1 | -48.7 | 176 | -57.2 | 0 | 0 | 0 | 0 | 110.6 | T100 S468 I469 S475 | T100-T472 HydrophobicContact CG2-CG2 4.02Å; S468-T472 WeakPolarHBondContact O-CB 3.45Å; S468-T472 PolarHBondContact O-N 3.48Å; S468-T472 VanDerWaalsContact O-N 3.15Å; S468-T472 PolarHBondContact O-OG1 3.15Å; I469-T472 PolarHBondContact O-N 3.03Å; T472-S475 PolarHBondContact O-OG 3.44Å |
| 473 | A | 81.1 | Confident | 75.7 | Confident | 21 Ų | 21 | 19.7 Ų | 19.7 | 17% | 0.174 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -75.4 | -36.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V226 I469 T470 A471 S475 I476 | V226-A473 HydrophobicContact CG1-CB 3.42Å; V226-A473 VanDerWaalsContact CG1-CB 3.42Å; I469-A473 WeakPolarHBondContact O-CB 3.29Å; I469-A473 PolarHBondContact O-N 2.94Å; T470-A473 PolarHBondContact O-N 2.88Å; A471-A473 PolarHBondContact O-N 2.68Å; A473-S475 VanDerWaalsContact C-N 3.27Å; A473-S475 PolarHBondContact O-N 2.95Å; A473-I476 PolarHBondContact O-N 2.87Å |
| 474 | A | 79.7 | Confident | 74.7 | Confident | 3 Ų | 3 | 18 Ų | 18 | 3% | 0.025 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.9 | -34.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T470 I476 G477 A478 I491 V492 | T470-A474 WeakPolarHBondContact O-CB 3.38Å; T470-A474 PolarHBondContact O-N 3.27Å; A474-I476 VanDerWaalsContact C-N 3.26Å; A474-I476 PolarHBondContact O-N 2.89Å; A474-G477 CarbonylContact O-C 3.57Å; A474-G477 PolarHBondContact O-N 3.32Å; A474-G477 VanDerWaalsContact O-N 3.1Å; A474-A478 PolarHBondContact O-N 3.01Å; A474-A478 VanDerWaalsContact O-N 3.12Å; A474-I491 HydrophobicContact CB-CB 4.36Å; A474-I491 HydrophobicContact CB-CD1 4.4Å; A474-I491 HydrophobicContact CB-CG2 3.97Å; A474-V492 HydrophobicContact CB-CG2 4.21Å |
| 475 | S | 83 | Confident | 73.5 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.9 | -29.8 | 176.8 | 80.7 | 0 | 0 | 0 | 0 | 113.5 | T100 M437 A471 T472 A473 A478 | T100-S475 WeakPolarHBondContact CG2-OG 3.46Å; M437-S475 WeakPolarHBondContact CB-O 3.35Å; M437-S475 VanDerWaalsContact CG-O 3.29Å; M437-S475 WeakPolarHBondContact CG-O 3.36Å; A471-S475 VanDerWaalsContact O-CB 3.3Å; A471-S475 WeakPolarHBondContact O-CB 3.39Å; A471-S475 PolarHBondContact O-N 3.47Å; T472-S475 PolarHBondContact O-OG 3.44Å; A473-S475 VanDerWaalsContact C-N 3.27Å; A473-S475 PolarHBondContact O-N 2.95Å; S475-A478 VanDerWaalsContact O-CB 3.25Å; S475-A478 WeakPolarHBondContact O-CB 3.26Å; S475-A478 PolarHBondContact O-N 2.86Å |
| 476 | I | 79.9 | Confident | 72.7 | Confident | 26 Ų | 26 | 13.7 Ų | 13.7 | 13% | 0.133 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -70.1 | -39.7 | 174.1 | -56.2 | 171.5 | 0 | 0 | 0 | 110.3 | L73 L97 I435 A473 A474 A478 | L73-I476 HydrophobicContact CD2-CB 4.02Å; L73-I476 HydrophobicContact CD2-CG2 3.84Å; L97-I476 HydrophobicContact CD2-CD1 3.75Å; I435-I476 HydrophobicContact CG1-CG2 4.38Å; I435-I476 HydrophobicContact CG2-CG1 4.27Å; I435-I476 HydrophobicContact CG2-CG2 4.39Å; A473-I476 PolarHBondContact O-N 2.87Å; A474-I476 VanDerWaalsContact C-N 3.26Å; A474-I476 PolarHBondContact O-N 2.89Å; I476-A478 PolarHBondContact O-N 2.72Å |
| 477 | G | 65 | Low | 72.1 | Confident | 6 Ų | 6 | 13.4 Ų | 13.4 | 6% | 0.062 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -73.4 | -7.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A474 A479 I481 | A474-G477 CarbonylContact O-C 3.57Å; A474-G477 PolarHBondContact O-N 3.32Å; A474-G477 VanDerWaalsContact O-N 3.1Å; G477-A479 PolarHBondContact O-N 3.11Å; G477-I481 WeakPolarHBondContact O-CD1 3.49Å |
| 478 | A | 65.3 | Low | 71.6 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -9.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N401 M437 T440 A474 S475 I476 G480 I481 A484 T488 | N401-A478 PolarHBondContact ND2-O 2.91Å; M437-A478 HydrophobicContact CE-CB 3.97Å; M437-A478 HydrophobicContact SD-CB 3.6Å; M437-A478 VanDerWaalsContact SD-CB 3.6Å; T440-A478 HydrophobicContact CG2-CB 4.39Å; A474-A478 PolarHBondContact O-N 3.01Å; A474-A478 VanDerWaalsContact O-N 3.12Å; S475-A478 VanDerWaalsContact O-CB 3.25Å; S475-A478 WeakPolarHBondContact O-CB 3.26Å; S475-A478 PolarHBondContact O-N 2.86Å; I476-A478 PolarHBondContact O-N 2.72Å; A478-G480 PolarHBondContact O-N 2.73Å; A478-I481 PolarHBondContact O-N 2.78Å; A478-A484 HydrophobicContact CB-CB 3.74Å; A478-A484 WeakPolarHBondContact O-CB 3.42Å; A478-T488 HydrophobicContact CB-CG2 3.93Å |
| 479 | A | 57.7 | Low | 71.2 | Confident | 15 Ų | 15 | 13.2 Ų | 13.2 | 12% | 0.124 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 130.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N401 T434 M437 G477 I481 | N401-A479 VanDerWaalsContact ND2-CA 3.35Å; N401-A479 WeakPolarHBondContact ND2-CA 3.47Å; T434-A479 HydrophobicContact CG2-CB 4.02Å; M437-A479 HydrophobicContact CE-CB 4.48Å; G477-A479 PolarHBondContact O-N 3.11Å; A479-I481 PolarHBondContact O-N 3.17Å |
| 480 | G | 49.6 | Very low | 70.8 | Confident | 7 Ų | 7 | 10 Ų | 10 | 7% | 0.072 | 7% | 0.065 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -21.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | M258 N401 A478 P482 | M258-G480 VanDerWaalsContact CE-C 3.48Å; M258-G480 WeakPolarHBondContact CE-O 3.27Å; N401-G480 VanDerWaalsContact CG-CA 3.43Å; N401-G480 PolarHBondContact ND2-N 3.4Å; N401-G480 WeakPolarHBondContact OD1-CA 3.5Å; N401-G480 PolarHBondContact OD1-N 3.34Å; N401-G480 PolarHBondContact OD1-O 3.07Å; A478-G480 PolarHBondContact O-N 2.73Å; G480-P482 WeakPolarHBondContact O-CD 3.34Å |
| 481 | I | 54.9 | Low | 70.4 | Confident | 3 Ų | 3 | 10 Ų | 10 | 2% | 0.015 | 7% | 0.065 | C | C | . | . | trans | -83 | 116.7 | -170.2 | -43.4 | 168.4 | 0 | 0 | 0 | 113.3 | L68 M258 V261 N401 G477 A478 A479 Q483 A484 V487 | L68-I481 HydrophobicContact CD1-CD1 4.33Å; L68-I481 HydrophobicContact CD1-CG1 4.21Å; L68-I481 HydrophobicContact CD2-CD1 3.21Å; L68-I481 HydrophobicContact CD2-CG1 3.7Å; L68-I481 HydrophobicContact CG-CD1 3.84Å; L68-I481 HydrophobicContact CG-CG1 4.27Å; M258-I481 HydrophobicContact SD-CG1 4.08Å; V261-I481 HydrophobicContact CG1-CG2 4.21Å; N401-I481 PolarHBondContact OD1-N 2.79Å; N401-I481 PolarHBondContact OD1-O 2.84Å; N401-I481 VanDerWaalsContact OD1-O 3.12Å; G477-I481 WeakPolarHBondContact O-CD1 3.49Å; A478-I481 PolarHBondContact O-N 2.78Å; A479-I481 PolarHBondContact O-N 3.17Å; I481-Q483 PolarHBondContact O-N 3.32Å; I481-A484 HydrophobicContact CB-CB 3.7Å; I481-A484 HydrophobicContact CD1-CB 4.43Å; I481-A484 HydrophobicContact CG2-CB 4.28Å; I481-A484 WeakPolarHBondContact O-CB 3.2Å; I481-A484 PolarHBondContact O-N 3.48Å; I481-V487 HydrophobicContact CG2-CG2 4.34Å | ||
| 482 | P | 48.5 | Very low | 70.2 | Confident | 41 Ų | 41 | 10 Ų | 10 | 27% | 0.266 | 7% | 0.065 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 125.9 | 165.6 | -17.4 | 26.4 | 0 | 0 | 0 | 109.8 | V265 G480 A484 | V265-P482 HydrophobicContact CG2-CB 4.28Å; G480-P482 WeakPolarHBondContact O-CD 3.34Å; P482-A484 PolarHBondContact O-N 3.4Å |
| 483 | Q | 57.2 | Low | 69.9 | Low | 37 Ų | 37 | 9.2 Ų | 9.2 | 17% | 0.173 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 30.6 | -175.8 | -151.2 | 162 | -3.3 | 0 | 0 | 114.1 | F268 I481 G485 L486 | F268-Q483 VanDerWaalsContact CE1-NE2 3.31Å; F268-Q483 VanDerWaalsContact CZ-CD 3.45Å; I481-Q483 PolarHBondContact O-N 3.32Å; Q483-G485 PolarHBondContact O-N 3.27Å; Q483-L486 HydrophobicContact CG-CD1 3.82Å; Q483-L486 HydrophobicContact CG-CG 4.03Å; Q483-L486 PolarHBondContact O-N 2.89Å |
| 484 | A | 59.6 | Low | 69.5 | Low | 9 Ų | 9 | 9.7 Ų | 9.7 | 7% | 0.074 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -39.2 | -46.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A478 I481 P482 L486 V487 T488 | A478-A484 HydrophobicContact CB-CB 3.74Å; A478-A484 WeakPolarHBondContact O-CB 3.42Å; I481-A484 HydrophobicContact CB-CB 3.7Å; I481-A484 HydrophobicContact CD1-CB 4.43Å; I481-A484 HydrophobicContact CG2-CB 4.28Å; I481-A484 WeakPolarHBondContact O-CB 3.2Å; I481-A484 PolarHBondContact O-N 3.48Å; P482-A484 PolarHBondContact O-N 3.4Å; A484-L486 PolarHBondContact O-N 2.88Å; A484-V487 PolarHBondContact O-N 3.27Å; A484-T488 PolarHBondContact O-N 3.37Å; A484-T488 PolarHBondContact O-OG1 2.89Å |
| 485 | G | 64 | Low | 69.2 | Low | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -53.7 | -26.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q483 T488 M489 | Q483-G485 PolarHBondContact O-N 3.27Å; G485-T488 WeakPolarHBondContact CA-OG1 3.44Å; G485-M489 VanDerWaalsContact O-CB 3.27Å; G485-M489 WeakPolarHBondContact O-CB 3.41Å; G485-M489 PolarHBondContact O-N 3.48Å |
| 486 | L | 68.7 | Low | 68.8 | Low | 5 Ų | 5 | 11 Ų | 11 | 3% | 0.026 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -83 | -38.7 | 174.9 | -65.9 | -177.5 | 0 | 0 | 0 | 112.1 | F268 Q483 A484 M489 V490 I503 I507 | F268-L486 HydrophobicContact CE2-CD1 3.9Å; F268-L486 HydrophobicContact CZ-CD1 3.72Å; Q483-L486 HydrophobicContact CG-CD1 3.82Å; Q483-L486 HydrophobicContact CG-CG 4.03Å; Q483-L486 PolarHBondContact O-N 2.89Å; A484-L486 PolarHBondContact O-N 2.88Å; L486-M489 WeakPolarHBondContact O-CB 3.38Å; L486-M489 PolarHBondContact O-N 3.46Å; L486-V490 PolarHBondContact O-N 3.13Å; L486-I503 HydrophobicContact CD2-CG2 3.94Å; L486-I507 HydrophobicContact CD1-CD1 4Å; L486-I507 HydrophobicContact CD1-CG1 3.72Å; L486-I507 HydrophobicContact CD1-CG2 4.45Å; L486-I507 HydrophobicContact CD2-CG1 3.83Å; L486-I507 HydrophobicContact CG-CG1 4.45Å |
| 487 | V | 69.5 | Low | 68.3 | Low | 8 Ų | 8 | 11.4 Ų | 11.4 | 5% | 0.048 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -68.1 | -43.4 | 178.3 | -178.8 | 0 | 0 | 0 | 0 | 110 | L61 I65 L68 I481 A484 V490 | L61-V487 HydrophobicContact CD2-CG2 4.14Å; I65-V487 HydrophobicContact CG1-CG1 3.91Å; L68-V487 HydrophobicContact CD2-CG1 4.44Å; I481-V487 HydrophobicContact CG2-CG2 4.34Å; A484-V487 PolarHBondContact O-N 3.27Å; V487-V490 WeakPolarHBondContact O-CB 3.21Å; V487-V490 PolarHBondContact O-N 3.3Å |
| 488 | T | 80 | Confident | 68.9 | Low | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.012 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -74.1 | -25.3 | 177.6 | 54.5 | 0 | 0 | 0 | 0 | 112.6 | E444 A478 A484 G485 V490 I491 V492 | E444-T488 WeakPolarHBondContact OE1-CB 3.44Å; E444-T488 PolarHBondContact OE1-OG1 2.89Å; A478-T488 HydrophobicContact CB-CG2 3.93Å; A484-T488 PolarHBondContact O-N 3.37Å; A484-T488 PolarHBondContact O-OG1 2.89Å; G485-T488 WeakPolarHBondContact CA-OG1 3.44Å; T488-V490 VanDerWaalsContact C-N 3.33Å; T488-V490 PolarHBondContact O-N 3.48Å; T488-I491 HydrophobicContact CG2-CD1 4.34Å; T488-I491 VanDerWaalsContact O-CB 3.29Å; T488-I491 WeakPolarHBondContact O-CB 3.33Å; T488-I491 PolarHBondContact O-N 3.4Å; T488-V492 PolarHBondContact O-N 2.7Å |
| 489 | M | 84.2 | Confident | 69.5 | Low | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 168.2 | -168.2 | 64.7 | 62.8 | 0 | 0 | 112.7 | Y443 E444 A447 G485 L486 I491 V492 L493 I503 | Y443-M489 HydrophobicContact CD1-CE 3.6Å; Y443-M489 HydrophobicContact CE1-CE 3.12Å; Y443-M489 HydrophobicContact CG-CE 4.49Å; E444-M489 HydrophobicContact CB-CE 4.32Å; E444-M489 HydrophobicContact CB-SD 4.47Å; E444-M489 HydrophobicContact CG-CE 3.93Å; E444-M489 HydrophobicContact CG-SD 4.36Å; A447-M489 HydrophobicContact CB-CE 3.18Å; A447-M489 HydrophobicContact CB-SD 3.45Å; A447-M489 WeakPolarHBondContact CB-SD 3.49Å; G485-M489 VanDerWaalsContact O-CB 3.27Å; G485-M489 WeakPolarHBondContact O-CB 3.41Å; G485-M489 PolarHBondContact O-N 3.48Å; L486-M489 WeakPolarHBondContact O-CB 3.38Å; L486-M489 PolarHBondContact O-N 3.46Å; M489-I491 PolarHBondContact O-N 3.41Å; M489-V492 PolarHBondContact O-N 2.91Å; M489-L493 HydrophobicContact CG-CD1 3.84Å; M489-L493 HydrophobicContact CG-CG 4.26Å; M489-L493 WeakPolarHBondContact O-CG 3.47Å; M489-L493 PolarHBondContact O-N 2.94Å; M489-I503 HydrophobicContact CG-CD1 4.35Å; M489-I503 HydrophobicContact CG-CG1 4.2Å |
| 490 | V | 77.1 | Confident | 70.4 | Confident | 3 Ų | 3 | 13.3 Ų | 13.3 | 2% | 0.018 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.4 | -39.5 | 177.9 | 177.7 | 0 | 0 | 0 | 0 | 110 | K62 I65 L486 V487 T488 L493 T494 T500 I503 | K62-V490 HydrophobicContact CG-CG1 4.14Å; I65-V490 HydrophobicContact CD1-CB 3.69Å; I65-V490 HydrophobicContact CD1-CG1 3.36Å; L486-V490 PolarHBondContact O-N 3.13Å; V487-V490 WeakPolarHBondContact O-CB 3.21Å; V487-V490 PolarHBondContact O-N 3.3Å; T488-V490 VanDerWaalsContact C-N 3.33Å; T488-V490 PolarHBondContact O-N 3.48Å; V490-L493 PolarHBondContact O-N 3.44Å; V490-T494 HydrophobicContact CG1-CG2 3.96Å; V490-T494 WeakPolarHBondContact O-CB 3.46Å; V490-T494 WeakPolarHBondContact O-CG2 3.4Å; V490-T494 PolarHBondContact O-N 3.5Å; V490-T494 PolarHBondContact O-OG1 3.44Å; V490-T500 HydrophobicContact CG1-CG2 3.95Å; V490-I503 HydrophobicContact CB-CD1 4.29Å; V490-I503 HydrophobicContact CG2-CD1 3.37Å |
| 491 | I | 75.6 | Confident | 71.5 | Confident | 6 Ų | 6 | 16.9 Ų | 16.9 | 3% | 0.031 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.1 | -51.4 | 175.3 | -63 | 173 | 0 | 0 | 0 | 110.8 | I65 V69 V222 A474 T488 M489 T494 S495 | I65-I491 HydrophobicContact CG2-CD1 3.92Å; I65-I491 HydrophobicContact CG2-CG1 3.54Å; V69-I491 HydrophobicContact CG2-CD1 3.43Å; V69-I491 VanDerWaalsContact CG2-CD1 3.43Å; V69-I491 HydrophobicContact CG2-CG1 4.43Å; V222-I491 HydrophobicContact CB-CG2 3.87Å; V222-I491 HydrophobicContact CG1-CB 4.09Å; V222-I491 HydrophobicContact CG1-CD1 4.48Å; V222-I491 HydrophobicContact CG1-CG1 4.03Å; V222-I491 HydrophobicContact CG1-CG2 3.31Å; V222-I491 HydrophobicContact CG2-CG2 4.4Å; A474-I491 HydrophobicContact CB-CB 4.36Å; A474-I491 HydrophobicContact CB-CD1 4.4Å; A474-I491 HydrophobicContact CB-CG2 3.97Å; T488-I491 HydrophobicContact CG2-CD1 4.34Å; T488-I491 VanDerWaalsContact O-CB 3.29Å; T488-I491 WeakPolarHBondContact O-CB 3.33Å; T488-I491 PolarHBondContact O-N 3.4Å; M489-I491 PolarHBondContact O-N 3.41Å; I491-T494 PolarHBondContact O-OG1 2.94Å; I491-S495 WeakPolarHBondContact O-CB 3.48Å; I491-S495 PolarHBondContact O-N 3.28Å; I491-S495 VanDerWaalsContact O-N 3.08Å |
| 492 | V | 85.6 | Confident | 72.6 | Confident | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.6 | -45.3 | -177.8 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | E444 A448 I467 A471 A474 T488 M489 S495 | E444-V492 HydrophobicContact CB-CG2 4.16Å; E444-V492 HydrophobicContact CG-CG2 4.44Å; A448-V492 HydrophobicContact CB-CG1 3.85Å; I467-V492 HydrophobicContact CB-CG1 4.49Å; I467-V492 HydrophobicContact CG1-CG1 4.43Å; I467-V492 HydrophobicContact CG2-CG1 4.02Å; A471-V492 HydrophobicContact CB-CG2 4.07Å; A474-V492 HydrophobicContact CB-CG2 4.21Å; T488-V492 PolarHBondContact O-N 2.7Å; M489-V492 PolarHBondContact O-N 2.91Å; V492-S495 PolarHBondContact O-N 3.29Å; V492-S495 PolarHBondContact O-OG 3.1Å |
| 493 | L | 82.7 | Confident | 74 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.2 | -44.5 | -179.9 | -70.4 | 170.6 | 0 | 0 | 0 | 113 | A448 I451 M489 V490 S495 V496 G497 L498 T500 I503 | A448-L493 HydrophobicContact CB-CD2 4.1Å; I451-L493 HydrophobicContact CB-CD2 4.24Å; I451-L493 HydrophobicContact CD1-CD1 3.65Å; I451-L493 HydrophobicContact CD1-CD2 3.93Å; I451-L493 HydrophobicContact CD1-CG 4.41Å; I451-L493 HydrophobicContact CG2-CD2 4.19Å; M489-L493 HydrophobicContact CG-CD1 3.84Å; M489-L493 HydrophobicContact CG-CG 4.26Å; M489-L493 WeakPolarHBondContact O-CG 3.47Å; M489-L493 PolarHBondContact O-N 2.94Å; V490-L493 PolarHBondContact O-N 3.44Å; L493-S495 VanDerWaalsContact C-N 3.28Å; L493-S495 PolarHBondContact O-N 3.11Å; L493-V496 WeakPolarHBondContact O-CG2 3.4Å; L493-V496 PolarHBondContact O-N 2.79Å; L493-G497 PolarHBondContact O-N 3.01Å; L493-G497 VanDerWaalsContact O-N 3.14Å; L493-L498 HydrophobicContact CB-CB 4.33Å; L493-L498 HydrophobicContact CD2-CB 3.83Å; L493-L498 HydrophobicContact CD2-CD1 3.79Å; L493-L498 HydrophobicContact CD2-CG 4.49Å; L493-L498 PolarHBondContact O-N 3.28Å; L493-T500 HydrophobicContact CB-CG2 4.5Å; L493-I503 HydrophobicContact CD1-CD1 3.62Å; L493-I503 HydrophobicContact CD1-CG1 3.35Å |
| 494 | T | 72.4 | Confident | 74.8 | Confident | 32 Ų | 32 | 14.4 Ų | 14.4 | 20% | 0.196 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.8 | -34.7 | 178.1 | 52 | 0 | 0 | 0 | 0 | 111.8 | Q158 V222 V490 I491 V496 G497 T500 | Q158-T494 PolarHBondContact OE1-O 2.75Å; V222-T494 WeakPolarHBondContact CG2-OG1 3.45Å; V490-T494 HydrophobicContact CG1-CG2 3.96Å; V490-T494 WeakPolarHBondContact O-CB 3.46Å; V490-T494 WeakPolarHBondContact O-CG2 3.4Å; V490-T494 PolarHBondContact O-N 3.5Å; V490-T494 PolarHBondContact O-OG1 3.44Å; I491-T494 PolarHBondContact O-OG1 2.94Å; T494-V496 PolarHBondContact O-N 3.14Å; T494-G497 PolarHBondContact O-N 3.4Å; T494-T500 HydrophobicContact CG2-CG2 3.81Å |
| 495 | S | 72.4 | Confident | 75.6 | Confident | 15 Ų | 15 | 15.3 Ų | 15.3 | 11% | 0.105 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.1 | -24.5 | 178.4 | 77.5 | 0 | 0 | 0 | 0 | 114.8 | T470 I491 V492 L493 | T470-S495 WeakPolarHBondContact CG2-OG 3.17Å; T470-S495 PolarHBondContact OG1-OG 3.26Å; T470-S495 VanDerWaalsContact OG1-OG 3.11Å; I491-S495 WeakPolarHBondContact O-CB 3.48Å; I491-S495 PolarHBondContact O-N 3.28Å; I491-S495 VanDerWaalsContact O-N 3.08Å; V492-S495 PolarHBondContact O-N 3.29Å; V492-S495 PolarHBondContact O-OG 3.1Å; L493-S495 VanDerWaalsContact C-N 3.28Å; L493-S495 PolarHBondContact O-N 3.11Å |
| 496 | V | 74.9 | Confident | 76.4 | Confident | 14 Ų | 14 | 15.2 Ų | 15.2 | 9% | 0.085 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 3.2 | 174.5 | -71.1 | 0 | 0 | 0 | 0 | 113.3 | Q463 T466 I467 L493 T494 L498 | Q463-V496 HydrophobicContact CB-CG1 4.16Å; T466-V496 HydrophobicContact CG2-CG1 3.78Å; I467-V496 HydrophobicContact CD1-CG1 4.26Å; I467-V496 HydrophobicContact CD1-CG2 4.33Å; I467-V496 HydrophobicContact CG1-CG1 3.66Å; I467-V496 HydrophobicContact CG1-CG2 4.12Å; L493-V496 WeakPolarHBondContact O-CG2 3.4Å; L493-V496 PolarHBondContact O-N 2.79Å; T494-V496 PolarHBondContact O-N 3.14Å; V496-L498 VanDerWaalsContact C-N 3.35Å; V496-L498 HydrophobicContact CG2-CB 4.24Å; V496-L498 HydrophobicContact CG2-CD1 3.61Å; V496-L498 HydrophobicContact CG2-CG 3.7Å |
| 497 | G | 69.9 | Low | 76.7 | Confident | 36 Ų | 36 | 15.4 Ų | 15.4 | 37% | 0.371 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.7 | 28.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L493 T494 | L493-G497 PolarHBondContact O-N 3.01Å; L493-G497 VanDerWaalsContact O-N 3.14Å; T494-G497 PolarHBondContact O-N 3.4Å |
| 498 | L | 78.2 | Confident | 76.8 | Confident | 12 Ų | 12 | 16 Ų | 16 | 6% | 0.063 | 10% | 0.103 | C | C | . | . | trans | -82.6 | 149.1 | 174 | -72.1 | 173.7 | 0 | 0 | 0 | 111.2 | A452 Y457 L459 L493 V496 T500 | A452-L498 HydrophobicContact CB-CD1 4Å; A452-L498 HydrophobicContact CB-CD2 4.12Å; Y457-L498 HydrophobicContact CD2-CD2 3.57Å; Y457-L498 HydrophobicContact CE2-CD2 4.11Å; Y457-L498 HydrophobicContact CG-CD2 3.92Å; L459-L498 HydrophobicContact CD2-CD1 4.49Å; L493-L498 HydrophobicContact CB-CB 4.33Å; L493-L498 HydrophobicContact CD2-CB 3.83Å; L493-L498 HydrophobicContact CD2-CD1 3.79Å; L493-L498 HydrophobicContact CD2-CG 4.49Å; L493-L498 PolarHBondContact O-N 3.28Å; V496-L498 VanDerWaalsContact C-N 3.35Å; V496-L498 HydrophobicContact CG2-CB 4.24Å; V496-L498 HydrophobicContact CG2-CD1 3.61Å; V496-L498 HydrophobicContact CG2-CG 3.7Å; L498-T500 PolarHBondContact O-N 3.2Å | ||
| 499 | P | 76.8 | Confident | 76.7 | Confident | 37 Ų | 37 | 17.3 Ų | 17.3 | 24% | 0.24 | 11% | 0.11 | C | C | . | . | trans | -63.8 | 132.7 | 177.8 | 26.5 | -34 | 0 | 0 | 0 | 111.1 | Y457 D501 | Y457-P499 HydrophobicContact CE2-CG 4.05Å; P499-D501 VanDerWaalsContact C-N 3.32Å | ||
| 500 | T | 76.1 | Confident | 76.6 | Confident | 11 Ų | 11 | 17.4 Ų | 17.4 | 7% | 0.067 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -83.9 | -11.3 | 179.6 | 57 | 0 | 0 | 0 | 0 | 113.2 | K62 V490 L493 T494 L498 D502 I503 | K62-T500 WeakPolarHBondContact CE-OG1 3.3Å; K62-T500 PolarHBondContact NZ-OG1 2.81Å; V490-T500 HydrophobicContact CG1-CG2 3.95Å; L493-T500 HydrophobicContact CB-CG2 4.5Å; T494-T500 HydrophobicContact CG2-CG2 3.81Å; L498-T500 PolarHBondContact O-N 3.2Å; T500-D502 PolarHBondContact O-N 2.69Å; T500-I503 WeakPolarHBondContact O-CB 3.45Å; T500-I503 WeakPolarHBondContact O-CD1 3.44Å; T500-I503 WeakPolarHBondContact O-CG1 3.38Å; T500-I503 PolarHBondContact O-N 3.04Å |
| 501 | D | 72.9 | Confident | 76.3 | Confident | 82 Ų | 82 | 22.2 Ų | 22.2 | 44% | 0.439 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -22.5 | -171.5 | -56.6 | -23.4 | 0 | 0 | 0 | 111.2 | K279 P499 I503 T504 | K279-D501 WeakPolarHBondContact CE-O 3.39Å; P499-D501 VanDerWaalsContact C-N 3.32Å; D501-I503 VanDerWaalsContact C-N 3.29Å; D501-I503 PolarHBondContact O-N 3.15Å; D501-T504 WeakPolarHBondContact O-CB 3.19Å; D501-T504 WeakPolarHBondContact O-CG2 3.13Å; D501-T504 PolarHBondContact O-N 3.43Å; D501-T504 PolarHBondContact O-OG1 3.09Å |
| 502 | D | 77.8 | Confident | 76.4 | Confident | 23 Ų | 23 | 23.3 Ų | 23.3 | 12% | 0.123 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -7.5 | 177.6 | -58.6 | -41 | 0 | 0 | 0 | 113.8 | I451 N455 T500 T504 L505 | I451-D502 HydrophobicContact CD1-CB 4.48Å; I451-D502 HydrophobicContact CG1-CB 4.26Å; I451-D502 HydrophobicContact CG2-CB 4Å; N455-D502 PolarHBondContact ND2-OD2 2.62Å; N455-D502 PolarHBondContact OD1-OD2 3.44Å; T500-D502 PolarHBondContact O-N 2.69Å; D502-T504 PolarHBondContact O-N 3.46Å; D502-L505 HydrophobicContact CB-CD1 4.25Å; D502-L505 WeakPolarHBondContact O-CB 3.46Å; D502-L505 PolarHBondContact O-N 3.23Å; D502-L505 VanDerWaalsContact O-N 3.09Å |
| 503 | I | 78.8 | Confident | 76.3 | Confident | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.015 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -55.2 | -34.8 | 169.8 | -64.4 | 171.8 | 0 | 0 | 0 | 109.9 | M58 I451 L486 M489 V490 L493 T500 D501 L505 I506 I507 | M58-I503 HydrophobicContact CE-CB 4.41Å; M58-I503 HydrophobicContact CE-CD1 4.25Å; I451-I503 HydrophobicContact CD1-CG1 4.43Å; L486-I503 HydrophobicContact CD2-CG2 3.94Å; M489-I503 HydrophobicContact CG-CD1 4.35Å; M489-I503 HydrophobicContact CG-CG1 4.2Å; V490-I503 HydrophobicContact CB-CD1 4.29Å; V490-I503 HydrophobicContact CG2-CD1 3.37Å; L493-I503 HydrophobicContact CD1-CD1 3.62Å; L493-I503 HydrophobicContact CD1-CG1 3.35Å; T500-I503 WeakPolarHBondContact O-CB 3.45Å; T500-I503 WeakPolarHBondContact O-CD1 3.44Å; T500-I503 WeakPolarHBondContact O-CG1 3.38Å; T500-I503 PolarHBondContact O-N 3.04Å; D501-I503 VanDerWaalsContact C-N 3.29Å; D501-I503 PolarHBondContact O-N 3.15Å; I503-L505 PolarHBondContact O-N 3.31Å; I503-I506 WeakPolarHBondContact O-CA 3.34Å; I503-I506 WeakPolarHBondContact O-CB 3.42Å; I503-I506 PolarHBondContact O-N 3.49Å; I503-I507 HydrophobicContact CG2-CD1 4.41Å; I503-I507 HydrophobicContact CG2-CG1 4.25Å; I503-I507 WeakPolarHBondContact O-CG1 3.38Å; I503-I507 PolarHBondContact O-N 3Å; I503-I507 VanDerWaalsContact O-N 3.1Å |
| 504 | T | 73.4 | Confident | 76.3 | Confident | 4 Ų | 4 | 23.8 Ų | 23.8 | 3% | 0.025 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -52.6 | -35.9 | 177.7 | 57.1 | 0 | 0 | 0 | 0 | 113.6 | L275 K279 D501 D502 I506 I507 | L275-T504 HydrophobicContact CB-CG2 4.04Å; L275-T504 HydrophobicContact CD1-CG2 4.1Å; L275-T504 HydrophobicContact CD2-CG2 3.8Å; L275-T504 HydrophobicContact CG-CG2 4.18Å; K279-T504 WeakPolarHBondContact CD-OG1 3.28Å; K279-T504 HydrophobicContact CG-CG2 4.4Å; K279-T504 VanDerWaalsContact CG-OG1 3.29Å; K279-T504 WeakPolarHBondContact CG-OG1 3.34Å; D501-T504 WeakPolarHBondContact O-CB 3.19Å; D501-T504 WeakPolarHBondContact O-CG2 3.13Å; D501-T504 PolarHBondContact O-N 3.43Å; D501-T504 PolarHBondContact O-OG1 3.09Å; D502-T504 PolarHBondContact O-N 3.46Å; T504-I506 VanDerWaalsContact C-N 3.27Å; T504-I506 PolarHBondContact O-N 3.16Å; T504-I507 PolarHBondContact O-N 3.06Å |
| 505 | L | 75.9 | Confident | 76.6 | Confident | 27 Ų | 27 | 26.1 Ų | 26.1 | 14% | 0.141 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.8 | -37.1 | 176.5 | -60.2 | 174.3 | 0 | 0 | 0 | 111.1 | M283 V289 L293 D502 I503 | M283-L505 HydrophobicContact CE-CD2 4.17Å; M283-L505 HydrophobicContact SD-CD2 3.86Å; V289-L505 HydrophobicContact CG1-CD1 4.46Å; V289-L505 HydrophobicContact CG1-CD2 4.29Å; L293-L505 WeakPolarHBondContact CD1-O 3.46Å; L293-L505 WeakPolarHBondContact CD2-O 3.43Å; D502-L505 HydrophobicContact CB-CD1 4.25Å; D502-L505 WeakPolarHBondContact O-CB 3.46Å; D502-L505 PolarHBondContact O-N 3.23Å; D502-L505 VanDerWaalsContact O-N 3.09Å; I503-L505 PolarHBondContact O-N 3.31Å |
| 506 | I | 81.8 | Confident | 77.4 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -78.4 | -31.5 | -177.9 | -57.4 | -178.3 | 0 | 0 | 0 | 111.4 | Y296 Y443 A447 F450 I451 I503 T504 A508 V509 D510 | Y296-I506 HydrophobicContact CE1-CG1 4.37Å; Y296-I506 HydrophobicContact CE1-CG2 3.76Å; Y296-I506 HydrophobicContact CE2-CD1 4.48Å; Y296-I506 WeakPolarHBondContact OH-CG2 3.49Å; Y443-I506 HydrophobicContact CE2-CG2 4.1Å; Y443-I506 WeakPolarHBondContact OH-CG2 3.5Å; A447-I506 HydrophobicContact CB-CD1 3.7Å; F450-I506 HydrophobicContact CD1-CD1 4.21Å; F450-I506 HydrophobicContact CD1-CG1 4.44Å; F450-I506 HydrophobicContact CE1-CG1 4.4Å; I451-I506 HydrophobicContact CD1-CD1 3.68Å; I451-I506 HydrophobicContact CG1-CD1 3.97Å; I503-I506 WeakPolarHBondContact O-CA 3.34Å; I503-I506 WeakPolarHBondContact O-CB 3.42Å; I503-I506 PolarHBondContact O-N 3.49Å; T504-I506 VanDerWaalsContact C-N 3.27Å; T504-I506 PolarHBondContact O-N 3.16Å; I506-A508 PolarHBondContact O-N 2.68Å; I506-A508 VanDerWaalsContact O-N 3.1Å; I506-V509 VanDerWaalsContact O-CG2 3.26Å; I506-V509 WeakPolarHBondContact O-CG2 3.38Å; I506-V509 PolarHBondContact O-N 2.81Å; I506-D510 PolarHBondContact O-N 3.37Å |
| 507 | I | 75.8 | Confident | 78 | Confident | 8 Ų | 8 | 28.2 Ų | 28.2 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -53.9 | -36 | -179.6 | -64.2 | 179.3 | 0 | 0 | 0 | 111.9 | F268 I272 L486 I503 T504 V509 D510 | F268-I507 HydrophobicContact CZ-CG2 4Å; I272-I507 HydrophobicContact CD1-CG2 4.16Å; I272-I507 HydrophobicContact CG1-CG2 4.1Å; L486-I507 HydrophobicContact CD1-CD1 4Å; L486-I507 HydrophobicContact CD1-CG1 3.72Å; L486-I507 HydrophobicContact CD1-CG2 4.45Å; L486-I507 HydrophobicContact CD2-CG1 3.83Å; L486-I507 HydrophobicContact CG-CG1 4.45Å; I503-I507 HydrophobicContact CG2-CD1 4.41Å; I503-I507 HydrophobicContact CG2-CG1 4.25Å; I503-I507 WeakPolarHBondContact O-CG1 3.38Å; I503-I507 PolarHBondContact O-N 3Å; I503-I507 VanDerWaalsContact O-N 3.1Å; T504-I507 PolarHBondContact O-N 3.06Å; I507-V509 PolarHBondContact O-N 2.93Å; I507-D510 PolarHBondContact O-N 2.81Å |
| 508 | A | 71.6 | Confident | 78.7 | Confident | 22 Ų | 22 | 26.8 Ų | 26.8 | 18% | 0.182 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.3 | -29.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | V27 I276 I506 W511 | V27-A508 HydrophobicContact CG1-CB 4.24Å; I276-A508 HydrophobicContact CD1-CB 4.16Å; I506-A508 PolarHBondContact O-N 2.68Å; I506-A508 VanDerWaalsContact O-N 3.1Å; A508-W511 PolarHBondContact O-NE1 3.42Å; A508-W511 VanDerWaalsContact O-NE1 3.13Å |
| 509 | V | 78.1 | Confident | 79.1 | Confident | 29 Ų | 29 | 28.2 Ų | 28.2 | 18% | 0.176 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -107.8 | -17.5 | -179.4 | -64.4 | 0 | 0 | 0 | 0 | 113.4 | L293 Y296 I506 I507 W511 A512 L513 | L293-V509 HydrophobicContact CD1-CG1 4.47Å; L293-V509 HydrophobicContact CD1-CG2 3.81Å; L293-V509 HydrophobicContact CD2-CG1 3.76Å; L293-V509 HydrophobicContact CD2-CG2 4.47Å; L293-V509 HydrophobicContact CG-CG1 3.87Å; L293-V509 HydrophobicContact CG-CG2 4.13Å; Y296-V509 HydrophobicContact CD1-CG2 4.2Å; Y296-V509 HydrophobicContact CE1-CG2 4Å; I506-V509 VanDerWaalsContact O-CG2 3.26Å; I506-V509 WeakPolarHBondContact O-CG2 3.38Å; I506-V509 PolarHBondContact O-N 2.81Å; I507-V509 PolarHBondContact O-N 2.93Å; V509-W511 PolarHBondContact O-N 3.08Å; V509-A512 PolarHBondContact O-N 3.25Å; V509-L513 HydrophobicContact CG2-CD1 4.04Å; V509-L513 PolarHBondContact O-N 3.37Å |
| 510 | D | 80.1 | Confident | 79.9 | Confident | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.6 | -35.1 | -176.8 | 177.7 | 53.3 | 0 | 0 | 0 | 112.8 | Y443 I506 I507 A512 L513 D514 R517 | Y443-D510 PolarHBondContact OH-OD1 3.28Å; I506-D510 PolarHBondContact O-N 3.37Å; I507-D510 PolarHBondContact O-N 2.81Å; D510-A512 PolarHBondContact O-N 3.35Å; D510-A512 VanDerWaalsContact O-N 3.1Å; D510-L513 PolarHBondContact O-N 3.42Å; D510-D514 WeakPolarHBondContact O-CB 3.4Å; D510-D514 PolarHBondContact O-N 3.03Å; D510-R517 IonicContact OD1-CZ 3.55Å; D510-R517 IonicContact OD1-NE 3.32Å; D510-R517 IonicContact OD1-NH2 3.55Å; D510-R517 PolarHBondContact OD1-NH2 3.12Å; D510-R517 IonicContact OD2-NH2 3.81Å |
| 511 | W | 72 | Confident | 80.6 | Confident | 104 Ų | 104 | 26.3 Ų | 26.3 | 39% | 0.394 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -57.6 | -30.2 | 179 | 72.7 | -90.5 | 0 | 0 | 0 | 113.5 | V24 A508 V509 | V24-W511 HydrophobicContact CG2-CD2 4.47Å; A508-W511 PolarHBondContact O-NE1 3.42Å; A508-W511 VanDerWaalsContact O-NE1 3.13Å; V509-W511 PolarHBondContact O-N 3.08Å |
| 512 | A | 76.8 | Confident | 81.3 | Confident | 30 Ų | 30 | 22.5 Ų | 22.5 | 25% | 0.248 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -85.5 | -46.4 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | V509 D510 D514 R515 | V509-A512 PolarHBondContact O-N 3.25Å; D510-A512 PolarHBondContact O-N 3.35Å; D510-A512 VanDerWaalsContact O-N 3.1Å; A512-D514 VanDerWaalsContact C-N 3.28Å; A512-D514 PolarHBondContact O-N 2.82Å; A512-R515 WeakPolarHBondContact O-CB 3.34Å; A512-R515 PolarHBondContact O-N 3.46Å |
| 513 | L | 84.4 | Confident | 82.1 | Confident | 5 Ų | 5 | 21.6 Ų | 21.6 | 3% | 0.026 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.2 | -37.6 | -179.3 | -62.4 | 178.4 | 0 | 0 | 0 | 112 | Y296 V300 V301 Y443 V509 D510 R515 F516 R517 | Y296-L513 HydrophobicContact CD1-CD1 4.48Å; Y296-L513 HydrophobicContact CE1-CD1 3.67Å; V300-L513 HydrophobicContact CB-CD1 4.34Å; V300-L513 HydrophobicContact CB-CD2 4.21Å; V300-L513 HydrophobicContact CG1-CD1 4.28Å; V300-L513 HydrophobicContact CG1-CD2 4.1Å; V300-L513 HydrophobicContact CG2-CD1 4.38Å; V301-L513 HydrophobicContact CG2-CD2 3.67Å; Y443-L513 HydrophobicContact CD2-CD1 4.46Å; Y443-L513 HydrophobicContact CE2-CD1 4.15Å; V509-L513 HydrophobicContact CG2-CD1 4.04Å; V509-L513 PolarHBondContact O-N 3.37Å; D510-L513 PolarHBondContact O-N 3.42Å; L513-R515 PolarHBondContact O-N 3.01Å; L513-R515 VanDerWaalsContact O-N 3.16Å; L513-F516 PolarHBondContact O-N 3.49Å; L513-F516 VanDerWaalsContact O-N 3.07Å; L513-R517 WeakPolarHBondContact O-CG 3.21Å; L513-R517 PolarHBondContact O-N 2.62Å |
| 514 | D | 81.4 | Confident | 82.8 | Confident | 5 Ų | 5 | 21.5 Ų | 21.5 | 3% | 0.027 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -55.1 | -31.7 | 177.9 | -178 | 83.6 | 0 | 0 | 0 | 114.9 | R402 D510 A512 R517 T518 | R402-D514 WeakPolarHBondContact CD-OD2 3.46Å; R402-D514 IonicContact CZ-OD1 3.05Å; R402-D514 IonicContact CZ-OD2 2.88Å; R402-D514 IonicContact NE-OD1 4Å; R402-D514 IonicContact NE-OD2 3.09Å; R402-D514 PolarHBondContact NE-OD2 2.86Å; R402-D514 IonicContact NH1-OD1 3.19Å; R402-D514 PolarHBondContact NH1-OD1 2.99Å; R402-D514 IonicContact NH1-OD2 2.82Å; R402-D514 PolarHBondContact NH1-OD2 3.06Å; R402-D514 VanDerWaalsContact NH2-CG 3.34Å; R402-D514 IonicContact NH2-OD1 3.52Å; R402-D514 PolarHBondContact NH2-OD1 3.34Å; R402-D514 IonicContact NH2-OD2 3.8Å; D510-D514 WeakPolarHBondContact O-CB 3.4Å; D510-D514 PolarHBondContact O-N 3.03Å; A512-D514 VanDerWaalsContact C-N 3.28Å; A512-D514 PolarHBondContact O-N 2.82Å; D514-R517 PolarHBondContact O-N 2.94Å; D514-R517 IonicContact OD1-CZ 3.78Å; D514-R517 IonicContact OD1-NE 3.96Å; D514-R517 IonicContact OD1-NH2 2.83Å; D514-R517 PolarHBondContact OD1-NH2 2.81Å; D514-T518 PolarHBondContact O-N 3.48Å; D514-T518 PolarHBondContact O-OG1 3.25Å |
| 515 | R | 80.3 | Confident | 83.7 | Confident | 80 Ų | 80 | 21.7 Ų | 21.7 | 30% | 0.302 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -65 | -43.8 | 177.4 | -63.4 | 175.1 | 178.8 | 176.6 | -0.1 | 111.3 | L339 S342 A512 L513 M519 | L339-R515 HydrophobicContact CD1-CB 4.03Å; S342-R515 WeakPolarHBondContact OG-CG 3.39Å; A512-R515 WeakPolarHBondContact O-CB 3.34Å; A512-R515 PolarHBondContact O-N 3.46Å; L513-R515 PolarHBondContact O-N 3.01Å; L513-R515 VanDerWaalsContact O-N 3.16Å; R515-M519 WeakPolarHBondContact O-CB 3.11Å; R515-M519 PolarHBondContact O-N 3.43Å; R515-M519 VanDerWaalsContact O-N 3.12Å |
| 516 | F | 87.8 | Confident | 84.5 | Confident | 70 Ų | 70 | 20.4 Ų | 20.4 | 31% | 0.307 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -68.5 | -41.6 | 176.8 | -62.6 | -77.2 | 0 | 0 | 0 | 110.6 | V301 L304 L339 L513 T518 M519 I520 | V301-F516 HydrophobicContact CG2-CD2 4.2Å; V301-F516 HydrophobicContact CG2-CE2 4.35Å; L304-F516 HydrophobicContact CD1-CB 3.62Å; L339-F516 HydrophobicContact CD1-CD1 4.11Å; L339-F516 HydrophobicContact CD1-CE1 4.15Å; L513-F516 PolarHBondContact O-N 3.49Å; L513-F516 VanDerWaalsContact O-N 3.07Å; F516-T518 PolarHBondContact O-N 2.98Å; F516-M519 HydrophobicContact CD1-CE 4.25Å; F516-M519 PolarHBondContact O-N 3.39Å; F516-I520 WeakPolarHBondContact O-CG1 3.35Å; F516-I520 PolarHBondContact O-N 3.23Å |
| 517 | R | 88.3 | Confident | 85.2 | Confident | 4 Ų | 4 | 20.4 Ų | 20.4 | 2% | 0.015 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -55.9 | -50.3 | 175.7 | -64.1 | -170.9 | -66.6 | 141.4 | -3.9 | 111.9 | L304 G439 Y443 D510 L513 D514 M519 I520 N521 | L304-R517 HydrophobicContact CD1-CG 3.93Å; L304-R517 HydrophobicContact CD2-CG 4.46Å; G439-R517 WeakPolarHBondContact O-CD 3.09Å; G439-R517 WeakPolarHBondContact O-CG 3.48Å; Y443-R517 VanDerWaalsContact CB-CD 3.45Å; D510-R517 IonicContact OD1-CZ 3.55Å; D510-R517 IonicContact OD1-NE 3.32Å; D510-R517 IonicContact OD1-NH2 3.55Å; D510-R517 PolarHBondContact OD1-NH2 3.12Å; D510-R517 IonicContact OD2-NH2 3.81Å; L513-R517 WeakPolarHBondContact O-CG 3.21Å; L513-R517 PolarHBondContact O-N 2.62Å; D514-R517 PolarHBondContact O-N 2.94Å; D514-R517 IonicContact OD1-CZ 3.78Å; D514-R517 IonicContact OD1-NE 3.96Å; D514-R517 IonicContact OD1-NH2 2.83Å; D514-R517 PolarHBondContact OD1-NH2 2.81Å; R517-M519 VanDerWaalsContact C-N 3.33Å; R517-M519 PolarHBondContact O-N 3.05Å; R517-I520 PolarHBondContact O-N 3.44Å; R517-N521 VanDerWaalsContact O-CG 3.27Å; R517-N521 PolarHBondContact O-N 3.3Å; R517-N521 PolarHBondContact O-OD1 3.13Å |
| 518 | T | 84.1 | Confident | 86 | Confident | 6 Ų | 6 | 20 Ų | 20 | 4% | 0.037 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -61 | -42.6 | 179.4 | -54.7 | 0 | 0 | 0 | 0 | 111.4 | A338 R402 D514 F516 I520 N521 V522 | A338-T518 HydrophobicContact CB-CG2 4.35Å; R402-T518 HydrophobicContact CB-CG2 4.02Å; D514-T518 PolarHBondContact O-N 3.48Å; D514-T518 PolarHBondContact O-OG1 3.25Å; F516-T518 PolarHBondContact O-N 2.98Å; T518-I520 PolarHBondContact O-N 2.94Å; T518-N521 PolarHBondContact O-N 2.98Å; T518-V522 WeakPolarHBondContact O-CG2 3.41Å; T518-V522 PolarHBondContact O-N 3.3Å; T518-V522 VanDerWaalsContact O-N 3.07Å |
| 519 | M | 87.4 | Confident | 87 | Confident | 42 Ų | 42 | 19 Ų | 19 | 21% | 0.207 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -61.5 | -42 | 177.5 | -175.7 | -177.8 | 70.2 | 0 | 0 | 112.2 | L335 L339 R515 F516 R517 L523 | L335-M519 HydrophobicContact CB-CG 4.23Å; L335-M519 HydrophobicContact CD2-CG 4.23Å; L339-M519 HydrophobicContact CB-SD 4.26Å; L339-M519 HydrophobicContact CD1-SD 4.1Å; R515-M519 WeakPolarHBondContact O-CB 3.11Å; R515-M519 PolarHBondContact O-N 3.43Å; R515-M519 VanDerWaalsContact O-N 3.12Å; F516-M519 HydrophobicContact CD1-CE 4.25Å; F516-M519 PolarHBondContact O-N 3.39Å; R517-M519 VanDerWaalsContact C-N 3.33Å; R517-M519 PolarHBondContact O-N 3.05Å; M519-L523 WeakPolarHBondContact O-CB 3.47Å; M519-L523 PolarHBondContact O-N 2.98Å |
| 520 | I | 92.3 | Very high | 87.8 | Confident | 3 Ų | 3 | 17.8 Ų | 17.8 | 2% | 0.015 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -67.3 | -41.1 | 177.9 | -64.1 | -41.5 | 0 | 0 | 0 | 111.7 | L304 D438 F516 R517 T518 V522 L523 G524 | L304-I520 HydrophobicContact CB-CG1 4.08Å; L304-I520 HydrophobicContact CD2-CB 4.49Å; L304-I520 HydrophobicContact CD2-CG1 4.14Å; D438-I520 HydrophobicContact CB-CG2 4.34Å; F516-I520 WeakPolarHBondContact O-CG1 3.35Å; F516-I520 PolarHBondContact O-N 3.23Å; R517-I520 PolarHBondContact O-N 3.44Å; T518-I520 PolarHBondContact O-N 2.94Å; I520-V522 PolarHBondContact O-N 3.09Å; I520-L523 HydrophobicContact CD1-CD2 4.48Å; I520-L523 WeakPolarHBondContact O-CB 3.31Å; I520-L523 PolarHBondContact O-N 3.14Å; I520-G524 PolarHBondContact O-N 2.95Å |
| 521 | N | 90.6 | Very high | 88.5 | Confident | 4 Ų | 4 | 17.7 Ų | 17.7 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.8 | -47.6 | 177.1 | -63.3 | -5.5 | 0 | 0 | 0 | 110.8 | D438 G439 R517 T518 L523 G524 D525 | D438-N521 PolarHBondContact N-OD1 3.34Å; G439-N521 WeakPolarHBondContact CA-OD1 3.39Å; G439-N521 PolarHBondContact N-OD1 3.44Å; R517-N521 VanDerWaalsContact O-CG 3.27Å; R517-N521 PolarHBondContact O-N 3.3Å; R517-N521 PolarHBondContact O-OD1 3.13Å; T518-N521 PolarHBondContact O-N 2.98Å; N521-L523 VanDerWaalsContact C-N 3.3Å; N521-L523 PolarHBondContact O-N 2.9Å; N521-G524 PolarHBondContact O-N 2.89Å; N521-D525 PolarHBondContact O-N 3.27Å |
| 522 | V | 89.4 | Confident | 89.4 | Confident | 3 Ų | 3 | 12.8 Ų | 12.8 | 2% | 0.018 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.5 | -37.2 | 177.2 | 174.8 | 0 | 0 | 0 | 0 | 112.1 | L335 A338 T406 T410 T518 I520 A526 | L335-V522 HydrophobicContact CD2-CG1 4.25Å; A338-V522 HydrophobicContact CB-CB 4.23Å; A338-V522 HydrophobicContact CB-CG1 4.49Å; A338-V522 HydrophobicContact CB-CG2 3.93Å; T406-V522 VanDerWaalsContact OG1-CG2 3.25Å; T406-V522 WeakPolarHBondContact OG1-CG2 3.38Å; T410-V522 HydrophobicContact CG2-CG1 4.28Å; T410-V522 WeakPolarHBondContact OG1-CG1 3.48Å; T518-V522 WeakPolarHBondContact O-CG2 3.41Å; T518-V522 PolarHBondContact O-N 3.3Å; T518-V522 VanDerWaalsContact O-N 3.07Å; I520-V522 PolarHBondContact O-N 3.09Å; V522-A526 WeakPolarHBondContact O-CB 3.46Å; V522-A526 PolarHBondContact O-N 3.39Å; V522-A526 VanDerWaalsContact O-N 3.14Å |
| 523 | L | 93.7 | Very high | 90.1 | Very high | 4 Ų | 4 | 12.4 Ų | 12.4 | 2% | 0.021 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -64.3 | -44.5 | 174.8 | 178.6 | 57.9 | 0 | 0 | 0 | 111.7 | G308 I328 I331 L335 M519 I520 N521 A526 L527 | G308-L523 VanDerWaalsContact O-CD2 3.23Å; G308-L523 WeakPolarHBondContact O-CD2 3.41Å; I328-L523 HydrophobicContact CD1-CD1 4.41Å; I328-L523 HydrophobicContact CG1-CD1 4.06Å; I331-L523 HydrophobicContact CD1-CD1 3.81Å; L335-L523 HydrophobicContact CD1-CD1 4.09Å; L335-L523 HydrophobicContact CD2-CB 3.76Å; L335-L523 HydrophobicContact CD2-CD1 4.33Å; M519-L523 WeakPolarHBondContact O-CB 3.47Å; M519-L523 PolarHBondContact O-N 2.98Å; I520-L523 HydrophobicContact CD1-CD2 4.48Å; I520-L523 WeakPolarHBondContact O-CB 3.31Å; I520-L523 PolarHBondContact O-N 3.14Å; N521-L523 VanDerWaalsContact C-N 3.3Å; N521-L523 PolarHBondContact O-N 2.9Å; L523-A526 PolarHBondContact O-N 2.84Å; L523-L527 HydrophobicContact CD1-CD1 3.85Å; L523-L527 HydrophobicContact CD1-CG 4.05Å; L523-L527 HydrophobicContact CG-CD1 3.95Å; L523-L527 WeakPolarHBondContact O-CB 3.34Å; L523-L527 WeakPolarHBondContact O-CG 3.38Å; L523-L527 PolarHBondContact O-N 3.01Å |
| 524 | G | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.4 | -47.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I520 N521 A526 L527 A528 | I520-G524 PolarHBondContact O-N 2.95Å; N521-G524 PolarHBondContact O-N 2.89Å; G524-A526 PolarHBondContact O-N 2.91Å; G524-L527 PolarHBondContact O-N 2.85Å; G524-A528 WeakPolarHBondContact O-CB 3.25Å; G524-A528 PolarHBondContact O-N 3.26Å |
| 525 | D | 91.9 | Very high | 90.9 | Very high | 8 Ų | 8 | 18 Ų | 18 | 4% | 0.043 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.8 | -43.4 | 179 | -64.8 | -16 | 0 | 0 | 0 | 112.2 | L429 G432 A433 N436 N521 A528 A529 | L429-D525 HydrophobicContact CD2-CB 3.96Å; G432-D525 VanDerWaalsContact C-OD1 3.31Å; G432-D525 VanDerWaalsContact CA-OD1 3.24Å; G432-D525 WeakPolarHBondContact CA-OD1 3.46Å; A433-D525 PolarHBondContact N-OD2 2.94Å; N436-D525 VanDerWaalsContact CB-OD1 3.3Å; N436-D525 WeakPolarHBondContact CB-OD1 3.4Å; N436-D525 PolarHBondContact ND2-N 3.4Å; N436-D525 PolarHBondContact ND2-OD1 3.4Å; N521-D525 PolarHBondContact O-N 3.27Å; D525-A528 PolarHBondContact O-N 3Å; D525-A529 PolarHBondContact O-N 2.59Å |
| 526 | A | 93 | Very high | 91.1 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.008 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -67.7 | -42.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112 | F327 I331 T410 L414 V522 L523 G524 A529 G530 | F327-A526 HydrophobicContact CE1-CB 4.46Å; F327-A526 WeakPolarHBondContact CE1-O 3.04Å; F327-A526 WeakPolarHBondContact CZ-O 3.31Å; I331-A526 HydrophobicContact CD1-CB 3.44Å; I331-A526 VanDerWaalsContact CD1-CB 3.44Å; I331-A526 HydrophobicContact CG2-CB 4.25Å; T410-A526 HydrophobicContact CG2-CB 4.13Å; L414-A526 HydrophobicContact CD1-CB 4.39Å; L414-A526 HydrophobicContact CD2-CB 4.27Å; V522-A526 WeakPolarHBondContact O-CB 3.46Å; V522-A526 PolarHBondContact O-N 3.39Å; V522-A526 VanDerWaalsContact O-N 3.14Å; L523-A526 PolarHBondContact O-N 2.84Å; G524-A526 PolarHBondContact O-N 2.91Å; A526-A529 PolarHBondContact O-N 3.47Å; A526-G530 PolarHBondContact O-N 2.95Å |
| 527 | L | 95.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.2 | -39.3 | 175.9 | -72 | 172.7 | 0 | 0 | 0 | 111.5 | L312 Y316 F327 I328 L523 G524 A529 G530 I531 | L312-L527 HydrophobicContact CB-CD1 3.64Å; Y316-L527 HydrophobicContact CD2-CB 4.47Å; Y316-L527 HydrophobicContact CD2-CD2 3.7Å; Y316-L527 HydrophobicContact CE2-CD2 4.32Å; Y316-L527 HydrophobicContact CG-CD2 4.03Å; F327-L527 HydrophobicContact CD1-CD2 3.67Å; F327-L527 HydrophobicContact CE1-CD2 3.99Å; I328-L527 HydrophobicContact CG1-CD2 4.39Å; L523-L527 HydrophobicContact CD1-CD1 3.85Å; L523-L527 HydrophobicContact CD1-CG 4.05Å; L523-L527 HydrophobicContact CG-CD1 3.95Å; L523-L527 WeakPolarHBondContact O-CB 3.34Å; L523-L527 WeakPolarHBondContact O-CG 3.38Å; L523-L527 PolarHBondContact O-N 3.01Å; G524-L527 PolarHBondContact O-N 2.85Å; L527-A529 VanDerWaalsContact C-N 3.35Å; L527-A529 PolarHBondContact O-N 2.84Å; L527-G530 PolarHBondContact O-N 2.89Å; L527-I531 WeakPolarHBondContact O-CG1 3.33Å; L527-I531 PolarHBondContact O-N 2.92Å |
| 528 | A | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.5 | -47.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y95 Y96 V428 G524 D525 G530 I531 M532 | Y95-A528 HydrophobicContact CD1-CB 3.76Å; Y95-A528 HydrophobicContact CE1-CB 3.5Å; Y95-A528 VanDerWaalsContact CE1-CB 3.5Å; Y96-A528 HydrophobicContact CD1-CB 4.26Å; Y96-A528 HydrophobicContact CE1-CB 3.33Å; V428-A528 HydrophobicContact CG1-CB 4.07Å; G524-A528 WeakPolarHBondContact O-CB 3.25Å; G524-A528 PolarHBondContact O-N 3.26Å; D525-A528 PolarHBondContact O-N 3Å; A528-G530 VanDerWaalsContact C-N 3.27Å; A528-G530 PolarHBondContact O-N 3.07Å; A528-I531 PolarHBondContact O-N 3.47Å; A528-I531 VanDerWaalsContact O-N 3.11Å; A528-M532 WeakPolarHBondContact O-CB 3.47Å; A528-M532 VanDerWaalsContact O-CG 3.24Å; A528-M532 WeakPolarHBondContact O-CG 3.45Å; A528-M532 PolarHBondContact O-N 2.75Å |
| 529 | A | 92.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.1 | -40.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L414 V428 L429 D525 A526 L527 A533 | L414-A529 HydrophobicContact CD1-CB 4.07Å; V428-A529 HydrophobicContact CB-CB 4.27Å; V428-A529 HydrophobicContact CG1-CB 4.01Å; L429-A529 HydrophobicContact CD2-CB 4.36Å; D525-A529 PolarHBondContact O-N 2.59Å; A526-A529 PolarHBondContact O-N 3.47Å; L527-A529 VanDerWaalsContact C-N 3.35Å; L527-A529 PolarHBondContact O-N 2.84Å; A529-A533 VanDerWaalsContact O-CB 3.3Å; A529-A533 WeakPolarHBondContact O-CB 3.22Å; A529-A533 PolarHBondContact O-N 3.44Å |
| 530 | G | 93.8 | Very high | 88.3 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 3% | 0.031 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.5 | -39.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | A526 L527 A528 H534 | A526-G530 PolarHBondContact O-N 2.95Å; L527-G530 PolarHBondContact O-N 2.89Å; A528-G530 VanDerWaalsContact C-N 3.27Å; A528-G530 PolarHBondContact O-N 3.07Å; G530-H534 PolarHBondContact O-N 3.2Å |
| 531 | I | 95 | Very high | 86.8 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -67.4 | -47.3 | 176.4 | -71.8 | 165 | 0 | 0 | 0 | 110.6 | Y95 Y316 I319 T320 L527 A528 A533 H534 I535 | Y95-I531 HydrophobicContact CD2-CD1 4.39Å; Y95-I531 HydrophobicContact CE2-CD1 3.42Å; Y95-I531 VanDerWaalsContact CE2-CD1 3.42Å; Y95-I531 WeakPolarHBondContact OH-CD1 3.34Å; Y316-I531 HydrophobicContact CD2-CD1 4.19Å; Y316-I531 HydrophobicContact CD2-CG1 3.68Å; Y316-I531 HydrophobicContact CE2-CG1 4.3Å; Y316-I531 HydrophobicContact CG-CG1 4.41Å; I319-I531 HydrophobicContact CD1-CD1 4.35Å; I319-I531 HydrophobicContact CD1-CG2 4.17Å; I319-I531 HydrophobicContact CG2-CG2 3.88Å; T320-I531 HydrophobicContact CG2-CG1 4.05Å; L527-I531 WeakPolarHBondContact O-CG1 3.33Å; L527-I531 PolarHBondContact O-N 2.92Å; A528-I531 PolarHBondContact O-N 3.47Å; A528-I531 VanDerWaalsContact O-N 3.11Å; I531-A533 VanDerWaalsContact C-N 3.29Å; I531-A533 PolarHBondContact O-N 3.24Å; I531-H534 WeakPolarHBondContact O-CB 3.24Å; I531-H534 PolarHBondContact O-N 3.38Å; I531-I535 HydrophobicContact CG2-CD1 3.61Å; I531-I535 HydrophobicContact CG2-CG1 4.33Å; I531-I535 WeakPolarHBondContact O-CG1 3.49Å; I531-I535 PolarHBondContact O-N 2.64Å |
| 532 | M | 92.3 | Very high | 85 | Confident | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.4 | -39.5 | 177.7 | -65.8 | -54.6 | 144.2 | 0 | 0 | 111.4 | L88 L91 T92 Y95 I424 V428 A528 H534 I535 C536 | L88-M532 HydrophobicContact CD1-CB 3.68Å; L88-M532 HydrophobicContact CD1-CG 4.12Å; L88-M532 HydrophobicContact CD1-SD 4.39Å; L91-M532 HydrophobicContact CB-SD 4.05Å; L91-M532 HydrophobicContact CD2-CE 4.39Å; L91-M532 HydrophobicContact CD2-SD 3.56Å; L91-M532 VanDerWaalsContact CD2-SD 3.56Å; L91-M532 HydrophobicContact CG-CE 3.93Å; L91-M532 HydrophobicContact CG-SD 3.61Å; L91-M532 WeakPolarHBondContact O-CE 3.21Å; T92-M532 PolarHBondContact OG1-SD 2.87Å; Y95-M532 HydrophobicContact CD1-CE 4.45Å; Y95-M532 HydrophobicContact CD2-CE 4.46Å; Y95-M532 HydrophobicContact CG-CE 3.91Å; I424-M532 HydrophobicContact CG2-CB 3.98Å; V428-M532 HydrophobicContact CG2-CB 4.22Å; V428-M532 HydrophobicContact CG2-CG 4.08Å; A528-M532 WeakPolarHBondContact O-CB 3.47Å; A528-M532 VanDerWaalsContact O-CG 3.24Å; A528-M532 WeakPolarHBondContact O-CG 3.45Å; A528-M532 PolarHBondContact O-N 2.75Å; M532-H534 VanDerWaalsContact C-N 3.26Å; M532-H534 PolarHBondContact O-N 3.33Å; M532-I535 PolarHBondContact O-N 2.85Å; M532-C536 VanDerWaalsContact O-CB 3.31Å; M532-C536 WeakPolarHBondContact O-CB 3.26Å; M532-C536 PolarHBondContact O-N 3.36Å |
| 533 | A | 90.8 | Very high | 83.2 | Confident | 21 Ų | 21 | 45.8 Ų | 45.8 | 17% | 0.174 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.3 | -33 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I420 I424 A529 I531 | I420-A533 HydrophobicContact CD1-CB 3.75Å; I420-A533 HydrophobicContact CG2-CB 4.18Å; I424-A533 VanDerWaalsContact CD1-CA 3.44Å; I424-A533 HydrophobicContact CD1-CB 3.81Å; A529-A533 VanDerWaalsContact O-CB 3.3Å; A529-A533 WeakPolarHBondContact O-CB 3.22Å; A529-A533 PolarHBondContact O-N 3.44Å; I531-A533 VanDerWaalsContact C-N 3.29Å; I531-A533 PolarHBondContact O-N 3.24Å |
| 534 | H | 91.3 | Very high | 81.1 | Confident | 72 Ų | 72 | 50.1 Ų | 50.1 | 33% | 0.333 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -73.8 | -48.8 | 174.6 | -174.3 | 78.9 | 0 | 0 | 0 | 112.1 | T320 G530 I531 M532 R537 | T320-H534 HydrophobicContact CG2-CB 3.84Å; T320-H534 PolarHBondContact O-CE1 2.91Å; G530-H534 PolarHBondContact O-N 3.2Å; I531-H534 WeakPolarHBondContact O-CB 3.24Å; I531-H534 PolarHBondContact O-N 3.38Å; M532-H534 VanDerWaalsContact C-N 3.26Å; M532-H534 PolarHBondContact O-N 3.33Å; H534-R537 WeakPolarHBondContact O-CB 3.49Å; H534-R537 PolarHBondContact O-N 3.17Å |
| 535 | I | 90.4 | Very high | 78.6 | Confident | 55 Ų | 55 | 53.4 Ų | 53.4 | 28% | 0.282 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.8 | -45.6 | -174.5 | -62.4 | 169.9 | 0 | 0 | 0 | 111.2 | L91 I319 I531 M532 R537 | L91-I535 HydrophobicContact CD2-CB 3.87Å; L91-I535 HydrophobicContact CD2-CD1 3.77Å; L91-I535 HydrophobicContact CD2-CG1 4.44Å; L91-I535 HydrophobicContact CD2-CG2 3.44Å; L91-I535 VanDerWaalsContact CD2-CG2 3.44Å; L91-I535 HydrophobicContact CG-CD1 4.47Å; I319-I535 HydrophobicContact CG2-CD1 3.89Å; I319-I535 HydrophobicContact CG2-CG1 4.06Å; I531-I535 HydrophobicContact CG2-CD1 3.61Å; I531-I535 HydrophobicContact CG2-CG1 4.33Å; I531-I535 WeakPolarHBondContact O-CG1 3.49Å; I531-I535 PolarHBondContact O-N 2.64Å; M532-I535 PolarHBondContact O-N 2.85Å; I535-R537 VanDerWaalsContact C-N 3.26Å; I535-R537 PolarHBondContact O-N 3.48Å |
| 536 | C | 84.6 | Confident | 76.1 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.007 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 5.6 | -176.9 | -65 | 0 | 0 | 0 | 0 | 113.4 | L88 M532 K538 D539 F540 | L88-C536 HydrophobicContact CD1-CB 4.36Å; M532-C536 VanDerWaalsContact O-CB 3.31Å; M532-C536 WeakPolarHBondContact O-CB 3.26Å; M532-C536 PolarHBondContact O-N 3.36Å; C536-K538 PolarHBondContact O-N 3.01Å; C536-K538 VanDerWaalsContact O-N 3.09Å; C536-D539 PolarHBondContact O-N 2.75Å; C536-F540 HydrophobicContact CB-CD2 3.87Å; C536-F540 HydrophobicContact CB-CE2 3.46Å; C536-F540 VanDerWaalsContact CB-CE2 3.46Å; C536-F540 WeakPolarHBondContact O-CD2 3.37Å; C536-F540 PolarHBondContact O-N 2.81Å |
| 537 | R | 81.2 | Confident | 73.3 | Confident | 182 Ų | 182 | 65.8 Ų | 65.8 | 69% | 0.687 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -52.1 | -37.5 | -178.9 | -171.3 | 179.5 | -179.1 | -170.3 | 0.6 | 113 | H534 I535 A541 | H534-R537 WeakPolarHBondContact O-CB 3.49Å; H534-R537 PolarHBondContact O-N 3.17Å; I535-R537 VanDerWaalsContact C-N 3.26Å; I535-R537 PolarHBondContact O-N 3.48Å; R537-A541 WeakPolarHBondContact O-CB 3.33Å; R537-A541 PolarHBondContact O-N 2.93Å; R537-A541 VanDerWaalsContact O-N 3.15Å |
| 538 | K | 69.8 | Low | 70.3 | Confident | 169 Ų | 169 | 75 Ų | 75 | 74% | 0.735 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -72.5 | -32.4 | 179.5 | -68.3 | -175.5 | 178.5 | 179.9 | 0 | 113.1 | C536 | C536-K538 PolarHBondContact O-N 3.01Å; C536-K538 VanDerWaalsContact O-N 3.09Å |
| 539 | D | 71.2 | Confident | 67.1 | Low | 51 Ų | 51 | 81.7 Ų | 81.7 | 27% | 0.273 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -70.8 | -41.6 | -179.7 | -57 | -33 | 0 | 0 | 0 | 109.2 | R87 C536 R542 | R87-D539 IonicContact CZ-OD2 2.87Å; R87-D539 IonicContact NH1-OD1 2.62Å; R87-D539 PolarHBondContact NH1-OD1 3.2Å; R87-D539 IonicContact NH1-OD2 3.51Å; R87-D539 PolarHBondContact NH1-OD2 2.99Å; C536-D539 PolarHBondContact O-N 2.75Å; D539-R542 PolarHBondContact O-N 3.3Å |
| 540 | F | 66.6 | Low | 64.1 | Low | 34 Ų | 34 | 89.1 Ų | 89.1 | 15% | 0.149 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -76 | -22.1 | 177.2 | -64.3 | -64.8 | 0 | 0 | 0 | 115.2 | L88 I424 C536 R542 T544 | L88-F540 HydrophobicContact CD2-CZ 4.16Å; I424-F540 HydrophobicContact CD1-CD2 3.81Å; I424-F540 HydrophobicContact CD1-CE2 3.4Å; I424-F540 VanDerWaalsContact CD1-CE2 3.4Å; I424-F540 HydrophobicContact CD1-CZ 4.18Å; I424-F540 HydrophobicContact CG1-CD2 4.27Å; I424-F540 HydrophobicContact CG1-CE2 3.53Å; I424-F540 HydrophobicContact CG1-CZ 3.78Å; C536-F540 HydrophobicContact CB-CD2 3.87Å; C536-F540 HydrophobicContact CB-CE2 3.46Å; C536-F540 VanDerWaalsContact CB-CE2 3.46Å; C536-F540 WeakPolarHBondContact O-CD2 3.37Å; C536-F540 PolarHBondContact O-N 2.81Å; F540-R542 VanDerWaalsContact C-N 3.3Å; F540-T544 PolarHBondContact O-N 2.93Å; F540-T544 PolarHBondContact O-OG1 3.5Å |
| 541 | A | 61.9 | Low | 61.5 | Low | 61 Ų | 61 | 94.7 Ų | 94.7 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.9 | -24.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R537 T544 | R537-A541 WeakPolarHBondContact O-CB 3.33Å; R537-A541 PolarHBondContact O-N 2.93Å; R537-A541 VanDerWaalsContact O-N 3.15Å; A541-T544 WeakPolarHBondContact CA-OG1 3.07Å; A541-T544 PolarHBondContact O-OG1 3.43Å |
| 542 | R | 52.4 | Low | 58.7 | Low | 198 Ų | 198 | 100.3 Ų | 100.3 | 75% | 0.747 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -78.7 | -35.5 | 175.9 | -68.6 | 176.6 | 93.2 | 157.7 | 5.1 | 112.1 | D539 F540 T544 G545 T546 | D539-R542 PolarHBondContact O-N 3.3Å; F540-R542 VanDerWaalsContact C-N 3.3Å; R542-T544 VanDerWaalsContact C-N 3.29Å; R542-T544 PolarHBondContact O-N 3.45Å; R542-G545 PolarHBondContact O-N 2.91Å; R542-T546 PolarHBondContact O-OG1 3.25Å |
| 543 | D | 52.3 | Low | 55.7 | Low | 100 Ų | 100 | 108.7 Ų | 108.7 | 54% | 0.535 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.1 | -31.1 | 174.5 | -80.5 | -10.9 | 0 | 0 | 0 | 113 | T546 | D543-T546 PolarHBondContact O-N 2.83Å |
| 544 | T | 49.3 | Very low | 52.9 | Low | 95 Ų | 95 | 114.2 Ų | 114.2 | 58% | 0.583 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -76.9 | -21.7 | 176.8 | 16.8 | 0 | 0 | 0 | 0 | 113.3 | F540 A541 R542 T546 | F540-T544 PolarHBondContact O-N 2.93Å; F540-T544 PolarHBondContact O-OG1 3.5Å; A541-T544 WeakPolarHBondContact CA-OG1 3.07Å; A541-T544 PolarHBondContact O-OG1 3.43Å; R542-T544 VanDerWaalsContact C-N 3.29Å; R542-T544 PolarHBondContact O-N 3.45Å; T544-T546 VanDerWaalsContact C-N 3.31Å |
| 545 | G | 40.4 | Very low | 49.9 | Very low | 70 Ų | 70 | 119.5 Ų | 119.5 | 72% | 0.722 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -6.4 | 173 | 0 | 0 | 0 | 0 | 0 | 114.2 | R542 | R542-G545 PolarHBondContact O-N 2.91Š|
| 546 | T | 39.9 | Very low | 47 | Very low | 110 Ų | 110 | 123.1 Ų | 123.1 | 68% | 0.675 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -121.8 | 60.4 | 178.6 | -36.7 | 0 | 0 | 0 | 0 | 107.9 | R542 D543 T544 K548 | R542-T546 PolarHBondContact O-OG1 3.25Å; D543-T546 PolarHBondContact O-N 2.83Å; T544-T546 VanDerWaalsContact C-N 3.31Å; T546-K548 VanDerWaalsContact C-N 3.27Å; T546-K548 PolarHBondContact O-N 2.96Å |
| 547 | E | 33.8 | Very low | 44.8 | Very low | 158 Ų | 158 | 127.4 Ų | 127.4 | 74% | 0.738 | 68% | 0.675 | S | S | * | * | trans | -69.9 | 83.8 | -177.2 | -142.6 | 179.9 | -173.3 | 0 | 0 | 110 | L549 | E547-L549 VanDerWaalsContact C-N 3.32Å; E547-L549 PolarHBondContact O-N 3.03Å | ||
| 548 | K | 32.7 | Very low | 42.6 | Very low | 195 Ų | 195 | 121.2 Ų | 121.2 | 85% | 0.848 | 66% | 0.66 | S | S | * | * | trans | -70.6 | 101.6 | 145.5 | -82.5 | -173.4 | 177.9 | -178.8 | 0 | 105.5 | T546 L550 | T546-K548 VanDerWaalsContact C-N 3.27Å; T546-K548 PolarHBondContact O-N 2.96Å; K548-L550 PolarHBondContact O-N 3.11Å | ||
| 549 | L | 27.7 | Very low | 41.2 | Very low | 140 Ų | 140 | 119.8 Ų | 119.8 | 73% | 0.733 | 66% | 0.66 | S | S | * | * | trans | -46.2 | 112.6 | 167.8 | -130.8 | 88.6 | 0 | 0 | 0 | 108.2 | E547 P551 | E547-L549 VanDerWaalsContact C-N 3.32Å; E547-L549 PolarHBondContact O-N 3.03Å; L549-P551 WeakPolarHBondContact O-CD 3.28Å | ||
| 550 | L | 28.8 | Very low | 39.8 | Very low | 155 Ų | 155 | 125.1 Ų | 125.1 | 81% | 0.812 | 68% | 0.683 | S | S | * | * | trans | -66.2 | 123.9 | 166.7 | -86.3 | 150.9 | 0 | 0 | 0 | 107.2 | K548 C552 | K548-L550 PolarHBondContact O-N 3.11Å; L550-C552 VanDerWaalsContact C-N 3.29Å; L550-C552 PolarHBondContact O-N 3.06Å | ||
| 551 | P | 39.1 | Very low | 38.6 | Very low | 120 Ų | 120 | 129 Ų | 129 | 78% | 0.779 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -75.2 | 90.4 | 171.3 | 30 | -29.5 | 0 | 0 | 0 | 107.7 | L549 | L549-P551 WeakPolarHBondContact O-CD 3.28Š|
| 552 | C | 35.5 | Very low | 37.8 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | 154.1 | 78.9 | 148.9 | -80.6 | 0 | 0 | 0 | 0 | 110.8 | L550 | L550-C552 VanDerWaalsContact C-N 3.29Å; L550-C552 PolarHBondContact O-N 3.06Å | ||
| 553 | E | 29.4 | Very low | 37.5 | Very low | 176 Ų | 176 | 124.6 Ų | 124.6 | 82% | 0.822 | 69% | 0.686 | S | S | * | * | trans | -133.4 | 86.2 | 143.3 | -112.2 | -171.4 | 161.1 | 0 | 0 | 106.8 | K555 | E553-K555 PolarHBondContact O-N 3.24Š| ||
| 554 | T | 33.1 | Very low | 36.9 | Very low | 138 Ų | 138 | 122.5 Ų | 122.5 | 85% | 0.847 | 68% | 0.682 | S | S | * | * | trans | -72 | 109.1 | 164 | 41.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 555 | K | 27.5 | Very low | 36.6 | Very low | 183 Ų | 183 | 121.6 Ų | 121.6 | 80% | 0.796 | 69% | 0.685 | S | S | * | * | trans | -53.7 | 133.2 | 161.3 | -81.2 | 178.8 | 176.7 | 174.5 | 0 | 107.5 | E553 V557 | E553-K555 PolarHBondContact O-N 3.24Å; K555-V557 PolarHBondContact O-N 3.19Å | ||
| 556 | P | 30.9 | Very low | 36.6 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 85% | 0.851 | 69% | 0.687 | S | S | * | * | trans | -64.7 | 108.8 | 170.8 | 26.2 | -30.4 | 0 | 0 | 0 | 107.4 | S558 | P556-S558 PolarHBondContact O-N 2.87Š| ||
| 557 | V | 37.1 | Very low | 36.5 | Very low | 90 Ų | 90 | 128.3 Ų | 128.3 | 55% | 0.545 | 69% | 0.69 | S | S | . | * | trans | -64.5 | 130.6 | 171.9 | 179.3 | 0 | 0 | 0 | 0 | 107.2 | K555 E561 I562 | K555-V557 PolarHBondContact O-N 3.19Å; V557-E561 HydrophobicContact CG1-CB 3.68Å; V557-I562 HydrophobicContact CG1-CD1 4.41Å; V557-I562 HydrophobicContact CG1-CG1 3.87Å | ||
| 558 | S | 35.6 | Very low | 36.8 | Very low | 52 Ų | 52 | 127.3 Ų | 127.3 | 36% | 0.364 | 69% | 0.689 | S | S | . | * | trans | -69 | 144.1 | 179.2 | 66.5 | 0 | 0 | 0 | 0 | 110 | P556 Q560 E561 I562 | P556-S558 PolarHBondContact O-N 2.87Å; S558-Q560 PolarHBondContact O-N 3.15Å; S558-E561 PolarHBondContact N-OE2 3.47Å; S558-E561 PolarHBondContact O-N 3.08Å; S558-E561 VanDerWaalsContact OG-CD 3.29Å; S558-E561 WeakPolarHBondContact OG-CG 3.38Å; S558-E561 PolarHBondContact OG-N 3.38Å; S558-E561 PolarHBondContact OG-OE2 3.37Å; S558-I562 PolarHBondContact O-N 3.1Å | ||
| 559 | L | 40 | Very low | 37.3 | Very low | 139 Ų | 139 | 121.5 Ų | 121.5 | 73% | 0.728 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -55 | -24.4 | 175.6 | -107 | 156.8 | 0 | 0 | 0 | 112.5 | V563 | L559-V563 WeakPolarHBondContact O-CG2 3.29Å; L559-V563 PolarHBondContact O-N 3.28Å; L559-V563 VanDerWaalsContact O-N 3.13Å |
| 560 | Q | 42.8 | Very low | 37.6 | Very low | 164 Ų | 164 | 120 Ų | 120 | 77% | 0.766 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -71 | -35.4 | 175.1 | -76.6 | 178.6 | -34.5 | 0 | 0 | 113.1 | S558 V563 A564 | S558-Q560 PolarHBondContact O-N 3.15Å; Q560-V563 PolarHBondContact O-N 3.06Å; Q560-A564 WeakPolarHBondContact O-CB 3.41Å; Q560-A564 PolarHBondContact O-N 3.31Å |
| 561 | E | 41.2 | Very low | 37.7 | Very low | 116 Ų | 116 | 119.6 Ų | 119.6 | 54% | 0.542 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -70.8 | -33.4 | 176.2 | -74.2 | 161.9 | 141.8 | 0 | 0 | 111.8 | V557 S558 A565 | V557-E561 HydrophobicContact CG1-CB 3.68Å; S558-E561 PolarHBondContact N-OE2 3.47Å; S558-E561 PolarHBondContact O-N 3.08Å; S558-E561 VanDerWaalsContact OG-CD 3.29Å; S558-E561 WeakPolarHBondContact OG-CG 3.38Å; S558-E561 PolarHBondContact OG-N 3.38Å; S558-E561 PolarHBondContact OG-OE2 3.37Å; E561-A565 PolarHBondContact O-N 3.17Å; E561-A565 VanDerWaalsContact O-N 3.17Å |
| 562 | I | 44.6 | Very low | 37.3 | Very low | 89 Ų | 89 | 121.7 Ų | 121.7 | 46% | 0.456 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -70.2 | -40.6 | 175.4 | -59.7 | 174.1 | 0 | 0 | 0 | 110.7 | V557 S558 A565 Q566 | V557-I562 HydrophobicContact CG1-CD1 4.41Å; V557-I562 HydrophobicContact CG1-CG1 3.87Å; S558-I562 PolarHBondContact O-N 3.1Å; I562-A565 PolarHBondContact O-N 2.99Å; I562-Q566 PolarHBondContact O-N 3.02Å |
| 563 | V | 45.8 | Very low | 36.9 | Very low | 77 Ų | 77 | 120.2 Ų | 120.2 | 47% | 0.467 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -70.2 | -35.6 | 177.9 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | L559 Q560 A565 Q566 Q567 | L559-V563 WeakPolarHBondContact O-CG2 3.29Å; L559-V563 PolarHBondContact O-N 3.28Å; L559-V563 VanDerWaalsContact O-N 3.13Å; Q560-V563 PolarHBondContact O-N 3.06Å; V563-A565 VanDerWaalsContact C-N 3.33Å; V563-A565 PolarHBondContact O-N 2.74Å; V563-Q566 PolarHBondContact O-N 2.83Å; V563-Q567 PolarHBondContact O-N 3.07Å |
| 564 | A | 40.4 | Very low | 37.1 | Very low | 55 Ų | 55 | 119.3 Ų | 119.3 | 46% | 0.455 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -65.2 | -34.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q560 | Q560-A564 WeakPolarHBondContact O-CB 3.41Å; Q560-A564 PolarHBondContact O-N 3.31Å |
| 565 | A | 42.8 | Very low | 37.1 | Very low | 76 Ų | 76 | 116.8 Ų | 116.8 | 63% | 0.628 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -70.9 | -30.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E561 I562 V563 | E561-A565 PolarHBondContact O-N 3.17Å; E561-A565 VanDerWaalsContact O-N 3.17Å; I562-A565 PolarHBondContact O-N 2.99Å; V563-A565 VanDerWaalsContact C-N 3.33Å; V563-A565 PolarHBondContact O-N 2.74Å |
| 566 | Q | 40.4 | Very low | 37.2 | Very low | 166 Ų | 166 | 115.8 Ų | 115.8 | 78% | 0.776 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -77.9 | -22.1 | 177.8 | -75 | -145.8 | -48.4 | 0 | 0 | 114.2 | I562 V563 N568 | I562-Q566 PolarHBondContact O-N 3.02Å; V563-Q566 PolarHBondContact O-N 2.83Å; Q566-N568 VanDerWaalsContact C-N 3.3Å; Q566-N568 PolarHBondContact O-N 3.01Å |
| 567 | Q | 38.1 | Very low | 37.3 | Very low | 156 Ų | 156 | 114.7 Ų | 114.7 | 73% | 0.729 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.5 | -17.4 | 179.4 | -80.2 | -177.1 | -25 | 0 | 0 | 114.1 | V563 | V563-Q567 PolarHBondContact O-N 3.07Š|
| 568 | N | 39.9 | Very low | 36.9 | Very low | 136 Ų | 136 | 115.8 Ų | 115.8 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 26.8 | -178.1 | -74.3 | -10.5 | 0 | 0 | 0 | 114.5 | Q566 C570 | Q566-N568 VanDerWaalsContact C-N 3.3Å; Q566-N568 PolarHBondContact O-N 3.01Å; N568-C570 VanDerWaalsContact C-N 3.27Å; N568-C570 PolarHBondContact O-N 3.21Å |
| 569 | G | 42.2 | Very low | 36.8 | Very low | 74 Ų | 74 | 122 Ų | 122 | 76% | 0.763 | 71% | 0.71 | S | S | * | * | trans | 52.6 | 22.9 | 149.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 570 | C | 33.9 | Very low | 36.1 | Very low | 108 Ų | 108 | 123.1 Ų | 123.1 | 73% | 0.73 | 72% | 0.717 | S | S | * | * | trans | -114.4 | 88.2 | -177.7 | -150.9 | 0 | 0 | 0 | 0 | 110.7 | N568 | N568-C570 VanDerWaalsContact C-N 3.27Å; N568-C570 PolarHBondContact O-N 3.21Å | ||
| 571 | V | 32.5 | Very low | 35.4 | Very low | 146 Ų | 146 | 121.9 Ų | 121.9 | 89% | 0.885 | 72% | 0.72 | S | S | * | * | trans | -82 | 114.9 | 165.8 | 179.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 572 | K | 29.1 | Very low | 34.6 | Very low | 165 Ų | 165 | 125.2 Ų | 125.2 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | trans | -122.6 | 134.2 | 160.2 | -76.4 | -168.7 | 174.6 | -169.9 | 0 | 108.9 | ||||
| 573 | S | 28.7 | Very low | 33.7 | Very low | 88 Ų | 88 | 124.3 Ų | 124.3 | 62% | 0.615 | 75% | 0.754 | S | S | * | * | trans | -72.3 | 159.1 | -176.2 | 81.1 | 0 | 0 | 0 | 0 | 111.4 | A575 | S573-A575 PolarHBondContact O-N 3.22Š| ||
| 574 | V | 33.3 | Very low | 33.3 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 95% | 0.952 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 14.7 | -169.7 | 177.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 575 | A | 31.7 | Very low | 32.6 | Very low | 84 Ų | 84 | 129.7 Ų | 129.7 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | -6.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | S573 | S573-A575 PolarHBondContact O-N 3.22Š|
| 576 | E | 30.9 | Very low | 31.7 | Very low | 163 Ų | 163 | 132.1 Ų | 132.1 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -117.2 | 22.5 | -172.9 | -83.9 | -174.1 | 155.3 | 0 | 0 | 115.4 | ||
| 577 | A | 31.7 | Very low | 31.2 | Very low | 107 Ų | 107 | 129 Ų | 129 | 88% | 0.884 | 79% | 0.789 | S | S | * | * | trans | -103.3 | 15.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 578 | S | 29.2 | Very low | 30.6 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 80% | 0.797 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -113.7 | 49.4 | -177.7 | -166.6 | 0 | 0 | 0 | 0 | 112.6 | ||
| 579 | E | 32.8 | Very low | 29.9 | Very low | 181 Ų | 181 | 132.9 Ų | 132.9 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | -161.5 | 94 | 163.2 | -114.6 | 177.2 | 170.6 | 0 | 0 | 108.7 | ||||
| 580 | L | 27 | Very low | 29.1 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -169.8 | 126.5 | 139.7 | -121.3 | 92.2 | 0 | 0 | 0 | 111.2 | ||
| 581 | T | 26.7 | Very low | 28.7 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | trans | 81.1 | 97 | 163.4 | 45.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 582 | L | 25.8 | Very low | 28.2 | Very low | 186 Ų | 186 | 135.4 Ų | 135.4 | 97% | 0.974 | 80% | 0.8 | S | S | * | * | trans | -85.3 | 140.1 | 164.3 | -99.8 | 145.8 | 0 | 0 | 0 | 112.5 | ||||
| 583 | G | 25.6 | Very low | 28 | Very low | 70 Ų | 70 | 136.3 Ų | 136.3 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | trans | 131.4 | 146.6 | 136.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 584 | P | 36.3 | Very low | 27.7 | Very low | 116 Ų | 116 | 138.6 Ų | 138.6 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | cis | -128 | 143.6 | -15 | 37.4 | -19.4 | 0 | 0 | 0 | 116.3 | ||||
| 585 | T | 25.2 | Very low | 27.2 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | 59.2 | 115.7 | 140.6 | 59.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 586 | C | 24 | Very low | 26.9 | Very low | 127 Ų | 127 | 145.2 Ų | 145.2 | 86% | 0.858 | 82% | 0.823 | S | S | * | * | -169.4 | 155 | 110.9 | -101.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 587 | P | 30 | Very low | 26.6 | Very low | 101 Ų | 101 | 145.5 Ų | 145.5 | 66% | 0.656 | 83% | 0.83 | S | S | * | * | trans | -100.4 | 147.9 | -149.3 | 37.4 | -31.8 | 0 | 0 | 0 | 113.6 | ||||
| 588 | H | 26.9 | Very low | 26.3 | Very low | 194 Ų | 194 | 149.7 Ų | 149.7 | 90% | 0.898 | 83% | 0.831 | S | S | * | * | trans | 169.2 | 98.5 | 133.6 | -87.9 | -61.9 | 0 | 0 | 0 | 108.2 | ||||
| 589 | H | 24.5 | Very low | 26.1 | Very low | 178 Ų | 178 | 153.3 Ų | 153.3 | 82% | 0.824 | 84% | 0.836 | S | S | * | * | trans | -95.6 | 133.8 | 171.3 | -115.2 | -65.5 | 0 | 0 | 0 | 109.2 | ||||
| 590 | V | 24.6 | Very low | 26.1 | Very low | 137 Ų | 137 | 150.3 Ų | 150.3 | 83% | 0.83 | 83% | 0.832 | S | S | * | * | trans | -132.7 | 122.5 | 144.9 | 178.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 591 | P | 25.7 | Very low | 26 | Very low | 102 Ų | 102 | 148.5 Ų | 148.5 | 66% | 0.662 | 83% | 0.83 | S | S | * | * | trans | -86.5 | 143.8 | 179.7 | 33.4 | -30.3 | 0 | 0 | 0 | 111 | ||||
| 592 | V | 22.7 | Very low | 25.9 | Very low | 142 Ų | 142 | 148.1 Ų | 148.1 | 86% | 0.861 | 83% | 0.828 | S | S | * | * | trans | -103.3 | 115.8 | 164.3 | 174.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 593 | Q | 23.8 | Very low | 25.8 | Very low | 184 Ų | 184 | 145.9 Ų | 145.9 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 146.8 | 171.9 | -76.8 | -171.4 | -22.6 | 0 | 0 | 110.6 | ||
| 594 | V | 23.4 | Very low | 25.7 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 83% | 0.83 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -84 | 124.3 | 176.5 | 174.8 | 0 | 0 | 0 | 0 | 108.1 | ||
| 595 | E | 23.5 | Very low | 25.4 | Very low | 195 Ų | 195 | 149.4 Ų | 149.4 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 125 | 172.6 | -124.6 | 168.1 | 159.7 | 0 | 0 | 109.4 | ||
| 596 | Q | 24.9 | Very low | 25.4 | Very low | 184 Ų | 184 | 151.1 Ų | 151.1 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -99 | 139.3 | 168.7 | -88 | 177.9 | -34.6 | 0 | 0 | 108.7 | ||
| 597 | D | 23.6 | Very low | 25.5 | Very low | 170 Ų | 170 | 152.9 Ų | 152.9 | 91% | 0.909 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 128.4 | 176.1 | -69.2 | -52.2 | 0 | 0 | 0 | 112.6 | ||
| 598 | E | 25.8 | Very low | 25.2 | Very low | 195 Ų | 195 | 154.4 Ų | 154.4 | 91% | 0.911 | 84% | 0.836 | S | S | * | * | trans | -138.6 | 138.6 | 153.6 | -90.7 | -158.1 | 147.4 | 0 | 0 | 111.1 | ||||
| 599 | E | 25.9 | Very low | 25.1 | Very low | 190 Ų | 190 | 150.9 Ų | 150.9 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | trans | -73 | 164.7 | 176.8 | -101.4 | -174.2 | 157.2 | 0 | 0 | 113.3 | ||||
| 600 | P | 31.3 | Very low | 25.2 | Very low | 117 Ų | 117 | 150.3 Ų | 150.3 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | trans | -96.9 | 164.4 | -149.6 | 38 | -35.7 | 0 | 0 | 0 | 114.7 | ||||
| 601 | P | 26.6 | Very low | 25.3 | Very low | 126 Ų | 126 | 152.1 Ų | 152.1 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -123.9 | 154.4 | 145.9 | 31.5 | -16.2 | 0 | 0 | 0 | 113.8 | ||||
| 602 | T | 23.3 | Very low | 25.4 | Very low | 131 Ų | 131 | 155.2 Ų | 155.2 | 80% | 0.804 | 84% | 0.838 | S | S | * | * | trans | -65.9 | 168.6 | -176.3 | 45.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 603 | V | 24.2 | Very low | 25.6 | Very low | 139 Ų | 139 | 153.2 Ų | 153.2 | 84% | 0.842 | 83% | 0.83 | S | S | * | * | trans | 96.2 | 131 | 163.2 | -169.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 604 | S | 24.3 | Very low | 25.9 | Very low | 107 Ų | 107 | 152.6 Ų | 152.6 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | cis | -155.6 | 159.5 | 11.2 | 38.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 605 | L | 28.4 | Very low | 26.2 | Very low | 152 Ų | 152 | 154.7 Ų | 154.7 | 80% | 0.796 | 83% | 0.833 | S | S | * | * | trans | -50.5 | 142.1 | 169.4 | -76.7 | 111 | 0 | 0 | 0 | 113.7 | ||||
| 606 | D | 25.5 | Very low | 26.6 | Very low | 166 Ų | 166 | 154 Ų | 154 | 89% | 0.888 | 83% | 0.83 | S | S | * | * | -157 | 140.8 | 124.8 | -100.4 | -26.2 | 0 | 0 | 0 | 112.7 | |||||
| 607 | H | 25.9 | Very low | 26.9 | Very low | 164 Ų | 164 | 150.9 Ų | 150.9 | 76% | 0.759 | 82% | 0.823 | S | S | * | * | trans | -63.4 | 143.6 | -177.7 | -88.5 | -68.6 | 0 | 0 | 0 | 113.5 | ||||
| 608 | C | 25.2 | Very low | 27.2 | Very low | 132 Ų | 132 | 150 Ų | 150 | 89% | 0.892 | 82% | 0.819 | S | S | * | * | trans | -159.3 | 118.6 | 131 | -123.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 609 | T | 24.6 | Very low | 27.6 | Very low | 121 Ų | 121 | 151.1 Ų | 151.1 | 74% | 0.742 | 84% | 0.839 | S | S | * | * | trans | -73.2 | 136.5 | 177 | -26.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 610 | I | 26.3 | Very low | 27.7 | Very low | 165 Ų | 165 | 149.2 Ų | 149.2 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | trans | -134.3 | 130.8 | 158.4 | -62.6 | -176 | 0 | 0 | 0 | 109.4 | ||||
| 611 | Q | 25.8 | Very low | 27.5 | Very low | 175 Ų | 175 | 150.9 Ų | 150.9 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | trans | -70.4 | 149.3 | -172.3 | -70.1 | 178.4 | -55.8 | 0 | 0 | 113.9 | ||||
| 612 | I | 27.7 | Very low | 27.5 | Very low | 168 Ų | 168 | 152.3 Ų | 152.3 | 86% | 0.862 | 84% | 0.841 | S | S | * | * | trans | -93.2 | 128.4 | 164.4 | -64.5 | 166 | 0 | 0 | 0 | 107.4 | ||||
| 613 | S | 27.9 | Very low | 27.8 | Very low | 99 Ų | 99 | 153.5 Ų | 153.5 | 69% | 0.692 | 84% | 0.844 | S | S | * | * | trans | -132.6 | 111.4 | 164.7 | -60.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 614 | E | 29.9 | Very low | 28 | Very low | 172 Ų | 172 | 154.4 Ų | 154.4 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | trans | 34.7 | 120.3 | 138.8 | -65.1 | 173.5 | 162 | 0 | 0 | 119 | ||||
| 615 | L | 29.6 | Very low | 28.2 | Very low | 181 Ų | 181 | 157.6 Ų | 157.6 | 95% | 0.948 | 85% | 0.85 | S | S | * | * | trans | -124.7 | 111.5 | 148.7 | -140.2 | 83.4 | 0 | 0 | 0 | 109.2 | ||||
| 616 | E | 30.9 | Very low | 28.2 | Very low | 179 Ų | 179 | 158 Ų | 158 | 84% | 0.836 | 85% | 0.854 | S | S | * | * | trans | -66.5 | 145.9 | 176.5 | -71 | 175.8 | 128.1 | 0 | 0 | 112.5 | ||||
| 617 | T | 32 | Very low | 28.4 | Very low | 119 Ų | 119 | 157.4 Ų | 157.4 | 73% | 0.73 | 85% | 0.851 | S | S | * | * | trans | -65.2 | 139.8 | 158.6 | 43 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 618 | N | 29.4 | Very low | 28.6 | Very low | 153 Ų | 153 | 156.8 Ų | 156.8 | 82% | 0.818 | 86% | 0.859 | S | S | * | * | 164.2 | 111.1 | 129.6 | -82.9 | -26.8 | 0 | 0 | 0 | 111.5 | |||||
| 619 | V | 34.4 | Very low | 29 | Very low | 218 Ų | 218 | 159.1 Ų | 159.1 | 100% | 1.321 | 86% | 0.856 | S | S | * | * | 177 | 0 | 100.3 | 165.8 | 0 | 0 | 0 | 0 | 108 |
Retrieved 619 of 619 residues in 127.8 ms
(Link to these results)