| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 63 | Low | 70 | Confident | 216 Ų | 216 | 121.9 Ų | 121.9 | 100% | 1.064 | 56% | 0.557 | S | S | * | * | 0 | -52 | 0 | -65.1 | -161 | -82.7 | 0 | 0 | 113.1 | Q3 A4 F5 | M1-Q3 PolarHBondContact O-N 3.3Å; M1-A4 PolarHBondContact O-N 3.32Å; M1-A4 VanDerWaalsContact O-N 3.12Å; M1-F5 PolarHBondContact O-N 2.84Å; M1-F5 VanDerWaalsContact O-N 3.09Å | |||
| 2 | L | 68.9 | Low | 70.9 | Confident | 128 Ų | 128 | 120.7 Ų | 120.7 | 67% | 0.67 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -56.2 | -43.7 | -179 | -170.4 | 67.8 | 0 | 0 | 0 | 114.6 | A4 F5 L6 | L2-A4 VanDerWaalsContact C-N 3.32Å; L2-A4 PolarHBondContact O-N 3.09Å; L2-F5 PolarHBondContact O-N 3.11Å; L2-L6 HydrophobicContact CG-CD1 4.25Å; L2-L6 VanDerWaalsContact O-CG 3.31Å; L2-L6 WeakPolarHBondContact O-CG 3.28Å; L2-L6 PolarHBondContact O-N 3.12Å |
| 3 | Q | 66.6 | Low | 71.5 | Confident | 147 Ų | 147 | 113.9 Ų | 113.9 | 69% | 0.687 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.4 | -26.2 | 178.6 | -68.5 | -163.9 | -4.7 | 0 | 0 | 114.2 | M1 R7 | M1-Q3 PolarHBondContact O-N 3.3Å; Q3-R7 WeakPolarHBondContact O-CB 3.47Å; Q3-R7 WeakPolarHBondContact O-CG 3.31Å; Q3-R7 PolarHBondContact O-N 2.92Å; Q3-R7 VanDerWaalsContact O-N 3.14Å; Q3-R7 PolarHBondContact O-NE 2.87Å |
| 4 | A | 69.5 | Low | 72.5 | Confident | 56 Ų | 56 | 114.6 Ų | 114.6 | 46% | 0.463 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -74.5 | -41.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | M1 L2 R7 H8 | M1-A4 PolarHBondContact O-N 3.32Å; M1-A4 VanDerWaalsContact O-N 3.12Å; L2-A4 VanDerWaalsContact C-N 3.32Å; L2-A4 PolarHBondContact O-N 3.09Å; A4-R7 PolarHBondContact O-N 3.31Å; A4-H8 PolarHBondContact O-N 3.49Å |
| 5 | F | 70.1 | Confident | 73.4 | Confident | 101 Ų | 101 | 112 Ų | 112 | 44% | 0.443 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.6 | -48.3 | 172.1 | 178.6 | -104.2 | 0 | 0 | 0 | 111.9 | M1 L2 R7 H8 V9 L20 | M1-F5 PolarHBondContact O-N 2.84Å; M1-F5 VanDerWaalsContact O-N 3.09Å; L2-F5 PolarHBondContact O-N 3.11Å; F5-R7 VanDerWaalsContact C-N 3.31Å; F5-R7 PolarHBondContact O-N 3.16Å; F5-H8 WeakPolarHBondContact O-CB 3.26Å; F5-H8 PolarHBondContact O-N 3.31Å; F5-H8 VanDerWaalsContact O-N 3.07Å; F5-V9 HydrophobicContact CD1-CG2 4.03Å; F5-V9 HydrophobicContact CD2-CG2 4.45Å; F5-V9 HydrophobicContact CE1-CG2 3.73Å; F5-V9 HydrophobicContact CE2-CG2 4.18Å; F5-V9 HydrophobicContact CG-CG2 4.39Å; F5-V9 HydrophobicContact CZ-CG2 3.82Å; F5-V9 VanDerWaalsContact O-CG2 3.23Å; F5-V9 WeakPolarHBondContact O-CG2 3.21Å; F5-V9 PolarHBondContact O-N 3.47Å; F5-L20 HydrophobicContact CZ-CD1 4.17Å |
| 6 | L | 70.3 | Confident | 74.1 | Confident | 61 Ų | 61 | 105.9 Ų | 105.9 | 32% | 0.319 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.3 | -36 | 177.4 | -70.1 | 174.2 | 0 | 0 | 0 | 112.9 | L2 R10 | L2-L6 HydrophobicContact CG-CD1 4.25Å; L2-L6 VanDerWaalsContact O-CG 3.31Å; L2-L6 WeakPolarHBondContact O-CG 3.28Å; L2-L6 PolarHBondContact O-N 3.12Å; L6-R10 WeakPolarHBondContact O-CB 3.29Å; L6-R10 VanDerWaalsContact O-CG 3.32Å; L6-R10 WeakPolarHBondContact O-CG 3.46Å; L6-R10 PolarHBondContact O-N 3.42Å |
| 7 | R | 69.8 | Low | 74.9 | Confident | 176 Ų | 176 | 99.7 Ų | 99.7 | 66% | 0.664 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.5 | -41 | 172.4 | -87.5 | -174.9 | -79.3 | 168.5 | -9.5 | 111.9 | Q3 A4 F5 R10 R11 | Q3-R7 WeakPolarHBondContact O-CB 3.47Å; Q3-R7 WeakPolarHBondContact O-CG 3.31Å; Q3-R7 PolarHBondContact O-N 2.92Å; Q3-R7 VanDerWaalsContact O-N 3.14Å; Q3-R7 PolarHBondContact O-NE 2.87Å; A4-R7 PolarHBondContact O-N 3.31Å; F5-R7 VanDerWaalsContact C-N 3.31Å; F5-R7 PolarHBondContact O-N 3.16Å; R7-R10 PolarHBondContact O-N 3.13Å; R7-R11 WeakPolarHBondContact O-CB 3.29Å; R7-R11 PolarHBondContact O-N 3.36Å |
| 8 | H | 68.8 | Low | 75.6 | Confident | 104 Ų | 104 | 94.9 Ų | 94.9 | 48% | 0.481 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.4 | -46.4 | 177.1 | -166.3 | 86.6 | 0 | 0 | 0 | 111.9 | A4 F5 R10 R11 F12 | A4-H8 PolarHBondContact O-N 3.49Å; F5-H8 WeakPolarHBondContact O-CB 3.26Å; F5-H8 PolarHBondContact O-N 3.31Å; F5-H8 VanDerWaalsContact O-N 3.07Å; H8-R10 PolarHBondContact O-N 2.86Å; H8-R11 PolarHBondContact O-N 3.37Å; H8-F12 AromaticContact CE1-CD2 3.99Å; H8-F12 PolarHBondContact O-N 2.87Å |
| 9 | V | 74.4 | Confident | 76.2 | Confident | 2 Ų | 2 | 93.1 Ų | 93.1 | 1% | 0.012 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -56 | -39.1 | 174.3 | 175 | 0 | 0 | 0 | 0 | 111 | F5 P13 T16 Y145 V146 | F5-V9 HydrophobicContact CD1-CG2 4.03Å; F5-V9 HydrophobicContact CD2-CG2 4.45Å; F5-V9 HydrophobicContact CE1-CG2 3.73Å; F5-V9 HydrophobicContact CE2-CG2 4.18Å; F5-V9 HydrophobicContact CG-CG2 4.39Å; F5-V9 HydrophobicContact CZ-CG2 3.82Å; F5-V9 VanDerWaalsContact O-CG2 3.23Å; F5-V9 WeakPolarHBondContact O-CG2 3.21Å; F5-V9 PolarHBondContact O-N 3.47Å; V9-P13 WeakPolarHBondContact O-CA 3.15Å; V9-P13 WeakPolarHBondContact O-CB 3.42Å; V9-T16 HydrophobicContact CB-CG2 4.34Å; V9-T16 HydrophobicContact CG2-CG2 3.63Å; V9-Y145 HydrophobicContact CG1-CD2 4.19Å; V9-V146 HydrophobicContact CG1-CG1 4.11Å |
| 10 | R | 70.6 | Confident | 76.9 | Confident | 157 Ų | 157 | 91.1 Ų | 91.1 | 59% | 0.592 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -74.5 | -28.1 | 177 | -74 | 178.6 | -179.2 | 175.8 | 1.5 | 113.4 | L6 R7 H8 Y145 | L6-R10 WeakPolarHBondContact O-CB 3.29Å; L6-R10 VanDerWaalsContact O-CG 3.32Å; L6-R10 WeakPolarHBondContact O-CG 3.46Å; L6-R10 PolarHBondContact O-N 3.42Å; R7-R10 PolarHBondContact O-N 3.13Å; H8-R10 PolarHBondContact O-N 2.86Å; R10-Y145 HydrophobicContact CG-CD2 4.43Å; R10-Y145 PolarHBondContact NH2-OH 3.28Å |
| 11 | R | 77.8 | Confident | 77.4 | Confident | 193 Ų | 193 | 87.4 Ų | 87.4 | 73% | 0.728 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -80.5 | -39.5 | -179.2 | -168.8 | 167.2 | -179.6 | 104.2 | -3 | 112.5 | R7 H8 P13 | R7-R11 WeakPolarHBondContact O-CB 3.29Å; R7-R11 PolarHBondContact O-N 3.36Å; H8-R11 PolarHBondContact O-N 3.37Å; R11-P13 VanDerWaalsContact C-CD 3.42Å |
| 12 | F | 80.8 | Confident | 78.6 | Confident | 107 Ų | 107 | 77.1 Ų | 77.1 | 47% | 0.469 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -127.2 | 61.2 | 177.2 | -60.5 | -71.3 | 0 | 0 | 0 | 111.8 | H8 W14 V15 T16 | H8-F12 AromaticContact CE1-CD2 3.99Å; H8-F12 PolarHBondContact O-N 2.87Å; F12-W14 PolarHBondContact O-N 3.28Å; F12-W14 VanDerWaalsContact O-N 3.15Å; F12-V15 PolarHBondContact O-N 3.33Å; F12-T16 PolarHBondContact O-N 2.6Å; F12-T16 VanDerWaalsContact O-N 3.08Å; F12-T16 PolarHBondContact O-OG1 3.04Å; F12-T16 VanDerWaalsContact O-OG1 3.09Å |
| 13 | P | 79.3 | Confident | 79.6 | Confident | 33 Ų | 33 | 74.5 Ų | 74.5 | 21% | 0.214 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.5 | -32.9 | -171.2 | 23.3 | -33.4 | 0 | 0 | 0 | 112.8 | V9 R11 N17 F62 | V9-P13 WeakPolarHBondContact O-CA 3.15Å; V9-P13 WeakPolarHBondContact O-CB 3.42Å; R11-P13 VanDerWaalsContact C-CD 3.42Å; P13-N17 VanDerWaalsContact O-CB 3.25Å; P13-N17 WeakPolarHBondContact O-CB 3.47Å; P13-N17 PolarHBondContact O-N 3.48Å; P13-N17 PolarHBondContact O-ND2 2.97Å; P13-F62 VanDerWaalsContact C-CE2 3.45Å; P13-F62 HydrophobicContact CB-CE2 4.22Å; P13-F62 HydrophobicContact CB-CZ 4.3Å; P13-F62 VanDerWaalsContact O-CE2 3.27Å; P13-F62 WeakPolarHBondContact O-CE2 3.25Å |
| 14 | W | 85.4 | Confident | 80.6 | Confident | 123 Ų | 123 | 69.7 Ų | 69.7 | 47% | 0.466 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.6 | -61.3 | 178.8 | 177.1 | 47.1 | 0 | 0 | 0 | 112.1 | F12 T16 N17 V18 N59 F62 | F12-W14 PolarHBondContact O-N 3.28Å; F12-W14 VanDerWaalsContact O-N 3.15Å; W14-T16 VanDerWaalsContact C-N 3.31Å; W14-T16 PolarHBondContact O-N 3.33Å; W14-N17 PolarHBondContact O-N 2.91Å; W14-V18 WeakPolarHBondContact O-CB 3.48Å; W14-V18 VanDerWaalsContact O-CG2 3.31Å; W14-V18 WeakPolarHBondContact O-CG2 3.37Å; W14-V18 PolarHBondContact O-N 3.29Å; W14-N59 WeakPolarHBondContact CZ2-OD1 3.45Å; W14-N59 PolarHBondContact NE1-OD1 3.42Å; W14-F62 HydrophobicContact CB-CD1 4.28Å; W14-F62 HydrophobicContact CB-CE1 3.58Å; W14-F62 HydrophobicContact CB-CE2 4.1Å; W14-F62 HydrophobicContact CB-CZ 3.43Å; W14-F62 VanDerWaalsContact CB-CZ 3.43Å; W14-F62 AromaticContact CD1-CD1 3.47Å; W14-F62 VanDerWaalsContact CD1-CD1 3.47Å; W14-F62 AromaticContact CD1-CE1 3.65Å; W14-F62 AromaticContact CD1-CG 3.86Å; W14-F62 HydrophobicContact CG-CD1 4.17Å; W14-F62 AromaticContact CG-CE1 3.88Å; W14-F62 HydrophobicContact CG-CE1 3.88Å; W14-F62 HydrophobicContact CG-CZ 4.19Å; W14-F62 VanDerWaalsContact N-CZ 3.33Å |
| 15 | V | 85.9 | Confident | 81.4 | Confident | 76 Ų | 76 | 68.7 Ų | 68.7 | 46% | 0.461 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.3 | -47.4 | -178.8 | -179.5 | 0 | 0 | 0 | 0 | 110.3 | F12 N17 V18 T19 | F12-V15 PolarHBondContact O-N 3.33Å; V15-N17 PolarHBondContact O-N 2.94Å; V15-V18 PolarHBondContact O-N 3.18Å; V15-T19 VanDerWaalsContact O-CB 3.27Å; V15-T19 WeakPolarHBondContact O-CB 3.4Å; V15-T19 PolarHBondContact O-N 2.9Å; V15-T19 PolarHBondContact O-OG1 2.96Å |
| 16 | T | 84.9 | Confident | 82.1 | Confident | 15 Ų | 15 | 64.6 Ų | 64.6 | 9% | 0.092 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64 | -43 | -177.8 | -49.8 | 0 | 0 | 0 | 0 | 112.9 | V9 F12 W14 L20 | V9-T16 HydrophobicContact CB-CG2 4.34Å; V9-T16 HydrophobicContact CG2-CG2 3.63Å; F12-T16 PolarHBondContact O-N 2.6Å; F12-T16 VanDerWaalsContact O-N 3.08Å; F12-T16 PolarHBondContact O-OG1 3.04Å; F12-T16 VanDerWaalsContact O-OG1 3.09Å; W14-T16 VanDerWaalsContact C-N 3.31Å; W14-T16 PolarHBondContact O-N 3.33Å; T16-L20 HydrophobicContact CG2-CD1 3.77Å; T16-L20 HydrophobicContact CG2-CG 4.38Å; T16-L20 VanDerWaalsContact O-CB 3.31Å; T16-L20 WeakPolarHBondContact O-CB 3.26Å; T16-L20 WeakPolarHBondContact O-CD1 3.19Å; T16-L20 WeakPolarHBondContact O-CG 3.35Å; T16-L20 PolarHBondContact O-N 3.48Å |
| 17 | N | 87.4 | Confident | 82.9 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70 | -43.6 | 179.8 | -83.5 | -104.6 | 0 | 0 | 0 | 111.9 | P13 W14 V15 T19 L20 Y21 F62 Y145 T148 T149 | P13-N17 VanDerWaalsContact O-CB 3.25Å; P13-N17 WeakPolarHBondContact O-CB 3.47Å; P13-N17 PolarHBondContact O-N 3.48Å; P13-N17 PolarHBondContact O-ND2 2.97Å; W14-N17 PolarHBondContact O-N 2.91Å; V15-N17 PolarHBondContact O-N 2.94Å; N17-T19 VanDerWaalsContact C-N 3.34Å; N17-L20 PolarHBondContact O-N 2.95Å; N17-Y21 WeakPolarHBondContact O-CB 3.44Å; N17-Y21 PolarHBondContact O-N 3.28Å; N17-F62 HydrophobicContact CB-CD2 3.86Å; N17-F62 HydrophobicContact CB-CE2 4.21Å; N17-Y145 PolarHBondContact ND2-O 3.14Å; N17-Y145 PolarHBondContact OD1-O 3.05Å; N17-T148 HydrophobicContact CB-CG2 4Å; N17-T148 WeakPolarHBondContact OD1-CB 3.48Å; N17-T149 PolarHBondContact OD1-N 2.95Å; N17-T149 VanDerWaalsContact OD1-N 3.1Å; N17-T149 PolarHBondContact OD1-OG1 3.1Å; N17-T149 VanDerWaalsContact OD1-OG1 3.11Å |
| 18 | V | 86.5 | Confident | 83.6 | Confident | 13 Ų | 13 | 54.3 Ų | 54.3 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.5 | -42.8 | 179.6 | 174.7 | 0 | 0 | 0 | 0 | 110.4 | W14 V15 Y21 G22 F62 | W14-V18 WeakPolarHBondContact O-CB 3.48Å; W14-V18 VanDerWaalsContact O-CG2 3.31Å; W14-V18 WeakPolarHBondContact O-CG2 3.37Å; W14-V18 PolarHBondContact O-N 3.29Å; V15-V18 PolarHBondContact O-N 3.18Å; V18-Y21 PolarHBondContact O-N 2.91Å; V18-G22 PolarHBondContact O-N 2.82Å; V18-F62 HydrophobicContact CG2-CB 4.37Å |
| 19 | T | 88.7 | Confident | 84.3 | Confident | 60 Ų | 60 | 49.9 Ų | 49.9 | 37% | 0.368 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.7 | -47.3 | 177.3 | -60.8 | 0 | 0 | 0 | 0 | 111.9 | V15 N17 Y21 G22 C23 F54 | V15-T19 VanDerWaalsContact O-CB 3.27Å; V15-T19 WeakPolarHBondContact O-CB 3.4Å; V15-T19 PolarHBondContact O-N 2.9Å; V15-T19 PolarHBondContact O-OG1 2.96Å; N17-T19 VanDerWaalsContact C-N 3.34Å; T19-Y21 VanDerWaalsContact C-N 3.34Å; T19-Y21 PolarHBondContact O-N 2.96Å; T19-G22 PolarHBondContact O-N 2.95Å; T19-C23 WeakPolarHBondContact O-CB 3.43Å; T19-C23 PolarHBondContact O-N 3.48Å; T19-C23 PolarHBondContact O-SG 3.1Å; T19-F54 HydrophobicContact CG2-CE1 4.3Å |
| 20 | L | 88.4 | Confident | 84.9 | Confident | 53 Ų | 53 | 52.3 Ų | 52.3 | 28% | 0.277 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 177.4 | -72.8 | 169.6 | 0 | 0 | 0 | 111.6 | F5 T16 N17 C23 L24 T149 | F5-L20 HydrophobicContact CZ-CD1 4.17Å; T16-L20 HydrophobicContact CG2-CD1 3.77Å; T16-L20 HydrophobicContact CG2-CG 4.38Å; T16-L20 VanDerWaalsContact O-CB 3.31Å; T16-L20 WeakPolarHBondContact O-CB 3.26Å; T16-L20 WeakPolarHBondContact O-CD1 3.19Å; T16-L20 WeakPolarHBondContact O-CG 3.35Å; T16-L20 PolarHBondContact O-N 3.48Å; N17-L20 PolarHBondContact O-N 2.95Å; L20-C23 PolarHBondContact O-N 3.46Å; L20-L24 WeakPolarHBondContact O-CB 3.48Å; L20-L24 WeakPolarHBondContact O-CD1 3.44Å; L20-L24 WeakPolarHBondContact O-CG 3.36Å; L20-L24 PolarHBondContact O-N 2.84Å; L20-T149 HydrophobicContact CB-CG2 4.06Å; L20-T149 HydrophobicContact CD1-CG2 3.81Å |
| 21 | Y | 88.3 | Confident | 85.5 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 6% | 0.055 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.6 | -51.7 | 176 | -177 | -83.3 | 0 | 0 | 0 | 111.2 | N17 V18 T19 C23 L24 F25 A53 H57 T148 T151 G152 | N17-Y21 WeakPolarHBondContact O-CB 3.44Å; N17-Y21 PolarHBondContact O-N 3.28Å; V18-Y21 PolarHBondContact O-N 2.91Å; T19-Y21 VanDerWaalsContact C-N 3.34Å; T19-Y21 PolarHBondContact O-N 2.96Å; Y21-C23 PolarHBondContact O-N 2.7Å; Y21-L24 PolarHBondContact O-N 3.21Å; Y21-F25 HydrophobicContact CE1-CB 4.36Å; Y21-F25 HydrophobicContact CE1-CD2 4.11Å; Y21-F25 HydrophobicContact CE1-CG 4.33Å; Y21-F25 VanDerWaalsContact O-CB 3.3Å; Y21-F25 WeakPolarHBondContact O-CB 3.42Å; Y21-F25 PolarHBondContact O-N 3Å; Y21-A53 HydrophobicContact CE1-CB 4.5Å; Y21-H57 HydrophobicContact CE1-CB 3.57Å; Y21-T148 HydrophobicContact CD2-CG2 4.2Å; Y21-T148 HydrophobicContact CG-CG2 4.42Å; Y21-T151 HydrophobicContact CE2-CG2 4.11Å; Y21-G152 VanDerWaalsContact CD2-CA 3.43Å |
| 22 | G | 87.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.8 | -43.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V18 T19 F25 A26 | V18-G22 PolarHBondContact O-N 2.82Å; T19-G22 PolarHBondContact O-N 2.95Å; G22-F25 PolarHBondContact O-N 3.33Å; G22-A26 WeakPolarHBondContact O-CB 3.34Å; G22-A26 PolarHBondContact O-N 2.63Å |
| 23 | C | 89.7 | Confident | 85.6 | Confident | 73 Ų | 73 | 34.3 Ų | 34.3 | 49% | 0.493 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.4 | -44.4 | 175.7 | -71.4 | 0 | 0 | 0 | 0 | 112.4 | T19 L20 Y21 F25 G27 | T19-C23 WeakPolarHBondContact O-CB 3.43Å; T19-C23 PolarHBondContact O-N 3.48Å; T19-C23 PolarHBondContact O-SG 3.1Å; L20-C23 PolarHBondContact O-N 3.46Å; Y21-C23 PolarHBondContact O-N 2.7Å; C23-F25 VanDerWaalsContact C-N 3.35Å; C23-G27 PolarHBondContact O-N 2.86Å |
| 24 | L | 89 | Confident | 85.7 | Confident | 46 Ų | 46 | 41 Ų | 41 | 24% | 0.241 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.4 | -40 | 178 | -74.9 | 168 | 0 | 0 | 0 | 111.5 | L20 Y21 G27 G28 F156 | L20-L24 WeakPolarHBondContact O-CB 3.48Å; L20-L24 WeakPolarHBondContact O-CD1 3.44Å; L20-L24 WeakPolarHBondContact O-CG 3.36Å; L20-L24 PolarHBondContact O-N 2.84Å; Y21-L24 PolarHBondContact O-N 3.21Å; L24-G27 PolarHBondContact O-N 3.13Å; L24-G28 PolarHBondContact O-N 3.15Å; L24-F156 WeakPolarHBondContact O-CD2 3.34Å |
| 25 | F | 85.1 | Confident | 85.1 | Confident | 36 Ų | 36 | 39.7 Ų | 39.7 | 16% | 0.158 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.1 | -46.7 | 179.8 | -154.5 | -95.4 | 0 | 0 | 0 | 111.6 | Y21 G22 C23 G28 D29 V49 A53 H57 F99 A155 | Y21-F25 HydrophobicContact CE1-CB 4.36Å; Y21-F25 HydrophobicContact CE1-CD2 4.11Å; Y21-F25 HydrophobicContact CE1-CG 4.33Å; Y21-F25 VanDerWaalsContact O-CB 3.3Å; Y21-F25 WeakPolarHBondContact O-CB 3.42Å; Y21-F25 PolarHBondContact O-N 3Å; G22-F25 PolarHBondContact O-N 3.33Å; C23-F25 VanDerWaalsContact C-N 3.35Å; F25-G28 PolarHBondContact O-N 3.42Å; F25-D29 PolarHBondContact O-N 3.09Å; F25-D29 VanDerWaalsContact O-N 3.1Å; F25-V49 HydrophobicContact CD1-CG1 3.58Å; F25-V49 HydrophobicContact CE1-CG1 3.76Å; F25-A53 HydrophobicContact CB-CB 3.92Å; F25-A53 HydrophobicContact CD1-CB 3.75Å; F25-A53 HydrophobicContact CG-CB 4.05Å; F25-H57 AromaticContact CZ-ND1 4Å; F25-F99 HydrophobicContact CE1-CD2 4.07Å; F25-F99 AromaticContact CE1-CE2 3.68Å; F25-F99 HydrophobicContact CE1-CE2 3.68Å; F25-F99 HydrophobicContact CZ-CD2 4.25Å; F25-F99 HydrophobicContact CZ-CE2 4.12Å; F25-A155 HydrophobicContact CD2-CB 3.58Å; F25-A155 HydrophobicContact CE2-CB 3.79Å |
| 26 | A | 86.8 | Confident | 84.4 | Confident | 14 Ų | 14 | 37.8 Ų | 37.8 | 12% | 0.116 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65 | -39.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G22 G28 D29 L30 A50 | G22-A26 WeakPolarHBondContact O-CB 3.34Å; G22-A26 PolarHBondContact O-N 2.63Å; A26-G28 VanDerWaalsContact C-N 3.29Å; A26-G28 PolarHBondContact O-N 2.84Å; A26-D29 PolarHBondContact O-N 2.95Å; A26-L30 PolarHBondContact O-N 3.45Å; A26-A50 HydrophobicContact CB-CB 3.93Å |
| 27 | G | 86.4 | Confident | 83.4 | Confident | 21 Ų | 21 | 41 Ų | 41 | 22% | 0.216 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.8 | -36.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | C23 L24 L30 V31 | C23-G27 PolarHBondContact O-N 2.86Å; L24-G27 PolarHBondContact O-N 3.13Å; G27-L30 PolarHBondContact O-N 3.07Å; G27-V31 WeakPolarHBondContact O-CG2 3.35Å; G27-V31 PolarHBondContact O-N 3.37Å |
| 28 | G | 83.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | L24 F25 A26 V31 H32 F156 | L24-G28 PolarHBondContact O-N 3.15Å; F25-G28 PolarHBondContact O-N 3.42Å; A26-G28 VanDerWaalsContact C-N 3.29Å; A26-G28 PolarHBondContact O-N 2.84Å; G28-V31 PolarHBondContact O-N 3.02Å; G28-H32 VanDerWaalsContact O-CB 3.32Å; G28-H32 WeakPolarHBondContact O-CB 3.37Å; G28-H32 PolarHBondContact O-N 3.03Å; G28-F156 VanDerWaalsContact CA-CD2 3.43Å |
| 29 | D | 84.4 | Confident | 81.1 | Confident | 12 Ų | 12 | 54.6 Ų | 54.6 | 6% | 0.064 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 173.7 | -171.4 | 70.5 | 0 | 0 | 0 | 111.7 | F25 A26 V31 H32 Q33 Q45 T46 V49 | F25-D29 PolarHBondContact O-N 3.09Å; F25-D29 VanDerWaalsContact O-N 3.1Å; A26-D29 PolarHBondContact O-N 2.95Å; D29-V31 VanDerWaalsContact C-N 3.34Å; D29-V31 PolarHBondContact O-N 3.31Å; D29-H32 WeakPolarHBondContact O-CB 3.39Å; D29-H32 PolarHBondContact O-N 3.32Å; D29-Q33 WeakPolarHBondContact O-CG 3.21Å; D29-Q33 PolarHBondContact O-N 2.78Å; D29-Q33 PolarHBondContact OD2-NE2 2.87Å; D29-Q45 PolarHBondContact OD1-NE2 2.69Å; D29-Q45 VanDerWaalsContact OD1-NE2 3.16Å; D29-T46 WeakPolarHBondContact OD2-CA 3.24Å; D29-T46 PolarHBondContact OD2-OG1 2.92Å; D29-V49 HydrophobicContact CB-CG1 4.08Å |
| 30 | L | 85.6 | Confident | 80.4 | Confident | 52 Ų | 52 | 59.5 Ų | 59.5 | 27% | 0.272 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 175.3 | -74.2 | 172.7 | 0 | 0 | 0 | 112.6 | A26 G27 Q33 W34 M41 W43 T46 | A26-L30 PolarHBondContact O-N 3.45Å; G27-L30 PolarHBondContact O-N 3.07Å; L30-Q33 PolarHBondContact O-N 3.31Å; L30-W34 WeakPolarHBondContact O-CB 3.24Å; L30-W34 PolarHBondContact O-N 3.16Å; L30-M41 HydrophobicContact CD2-CG 4.26Å; L30-M41 HydrophobicContact CD2-SD 3.89Å; L30-W43 HydrophobicContact CD2-CE3 4.45Å; L30-W43 HydrophobicContact CD2-CH2 4.47Å; L30-W43 HydrophobicContact CD2-CZ3 3.99Å; L30-T46 HydrophobicContact CD1-CG2 4.34Å; L30-T46 HydrophobicContact CD2-CG2 3.78Å; L30-T46 WeakPolarHBondContact CD2-OG1 3.49Å; L30-T46 HydrophobicContact CG-CG2 3.77Å |
| 31 | V | 83.4 | Confident | 79.9 | Confident | 39 Ų | 39 | 60.1 Ų | 60.1 | 24% | 0.236 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 177.2 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | G27 G28 D29 W34 F35 F156 | G27-V31 WeakPolarHBondContact O-CG2 3.35Å; G27-V31 PolarHBondContact O-N 3.37Å; G28-V31 PolarHBondContact O-N 3.02Å; D29-V31 VanDerWaalsContact C-N 3.34Å; D29-V31 PolarHBondContact O-N 3.31Å; V31-W34 PolarHBondContact O-N 3.35Å; V31-F35 HydrophobicContact CG1-CD2 3.61Å; V31-F35 HydrophobicContact CG1-CE2 3.64Å; V31-F35 VanDerWaalsContact O-CD2 3.31Å; V31-F35 WeakPolarHBondContact O-CD2 3.49Å; V31-F35 PolarHBondContact O-N 3.46Å; V31-F156 HydrophobicContact CB-CE2 4.4Å; V31-F156 HydrophobicContact CB-CZ 4.48Å; V31-F156 HydrophobicContact CG2-CE2 3.87Å; V31-F156 HydrophobicContact CG2-CZ 3.91Å |
| 32 | H | 80.6 | Confident | 79.6 | Confident | 36 Ų | 36 | 62.1 Ų | 62.1 | 17% | 0.167 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.5 | -44.9 | 174.4 | 165 | -141.8 | 0 | 0 | 0 | 112 | G28 D29 W34 F35 S36 | G28-H32 VanDerWaalsContact O-CB 3.32Å; G28-H32 WeakPolarHBondContact O-CB 3.37Å; G28-H32 PolarHBondContact O-N 3.03Å; D29-H32 WeakPolarHBondContact O-CB 3.39Å; D29-H32 PolarHBondContact O-N 3.32Å; H32-W34 VanDerWaalsContact C-N 3.32Å; H32-W34 PolarHBondContact O-N 3Å; H32-F35 PolarHBondContact O-N 3.49Å; H32-S36 PolarHBondContact CD2-OG 2.9Å; H32-S36 PolarHBondContact NE2-OG 2.8Å; H32-S36 VanDerWaalsContact O-CB 3.27Å; H32-S36 WeakPolarHBondContact O-CB 3.12Å; H32-S36 PolarHBondContact O-N 3.02Å; H32-S36 PolarHBondContact O-OG 3.46Å |
| 33 | Q | 80.7 | Confident | 79.4 | Confident | 5 Ų | 5 | 70.6 Ų | 70.6 | 2% | 0.023 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 177.1 | -70.1 | -167.7 | 39.8 | 0 | 0 | 111.8 | D29 L30 S36 M41 D42 T46 | D29-Q33 WeakPolarHBondContact O-CG 3.21Å; D29-Q33 PolarHBondContact O-N 2.78Å; D29-Q33 PolarHBondContact OD2-NE2 2.87Å; L30-Q33 PolarHBondContact O-N 3.31Å; Q33-S36 PolarHBondContact O-N 3.24Å; Q33-M41 HydrophobicContact CB-SD 3.52Å; Q33-M41 VanDerWaalsContact CB-SD 3.52Å; Q33-M41 HydrophobicContact CG-SD 4.37Å; Q33-M41 PolarHBondContact OE1-SD 3.46Å; Q33-D42 PolarHBondContact NE2-O 3.36Å; Q33-D42 PolarHBondContact OE1-O 2.93Å; Q33-T46 PolarHBondContact NE2-OG1 3.09Å |
| 34 | W | 80.6 | Confident | 79.2 | Confident | 173 Ų | 173 | 73.1 Ų | 73.1 | 66% | 0.655 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.9 | -48.3 | 176.9 | -176 | 69 | 0 | 0 | 0 | 112.5 | L30 V31 H32 S36 A37 M41 | L30-W34 WeakPolarHBondContact O-CB 3.24Å; L30-W34 PolarHBondContact O-N 3.16Å; V31-W34 PolarHBondContact O-N 3.35Å; H32-W34 VanDerWaalsContact C-N 3.32Å; H32-W34 PolarHBondContact O-N 3Å; W34-S36 VanDerWaalsContact C-N 3.33Å; W34-S36 PolarHBondContact O-N 2.84Å; W34-A37 PolarHBondContact O-N 2.9Å; W34-M41 HydrophobicContact CB-CE 4.34Å |
| 35 | F | 74.3 | Confident | 78.8 | Confident | 95 Ų | 95 | 72.2 Ų | 72.2 | 42% | 0.417 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -73 | -24.2 | 178.3 | -82 | -71 | 0 | 0 | 0 | 113.4 | V31 H32 A37 C163 Q167 | V31-F35 HydrophobicContact CG1-CD2 3.61Å; V31-F35 HydrophobicContact CG1-CE2 3.64Å; V31-F35 VanDerWaalsContact O-CD2 3.31Å; V31-F35 WeakPolarHBondContact O-CD2 3.49Å; V31-F35 PolarHBondContact O-N 3.46Å; H32-F35 PolarHBondContact O-N 3.49Å; F35-A37 PolarHBondContact O-N 3.16Å; F35-C163 VanDerWaalsContact C-SG 3.57Å; F35-C163 HydrophobicContact CB-CB 4.27Å; F35-C163 WeakPolarHBondContact CB-SG 3.26Å; F35-Q167 PolarHBondContact O-NE2 2.95Å |
| 36 | S | 69.6 | Low | 78.9 | Confident | 37 Ų | 37 | 71.1 Ų | 71.1 | 26% | 0.259 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | 6.9 | 177.5 | -64.1 | 0 | 0 | 0 | 0 | 113.7 | H32 Q33 W34 R38 | H32-S36 PolarHBondContact CD2-OG 2.9Å; H32-S36 PolarHBondContact NE2-OG 2.8Å; H32-S36 VanDerWaalsContact O-CB 3.27Å; H32-S36 WeakPolarHBondContact O-CB 3.12Å; H32-S36 PolarHBondContact O-N 3.02Å; H32-S36 PolarHBondContact O-OG 3.46Å; Q33-S36 PolarHBondContact O-N 3.24Å; W34-S36 VanDerWaalsContact C-N 3.33Å; W34-S36 PolarHBondContact O-N 2.84Å; S36-R38 PolarHBondContact O-N 3.33Å |
| 37 | A | 65.1 | Low | 79 | Confident | 83 Ų | 83 | 77 Ų | 77 | 69% | 0.686 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 34.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | W34 F35 D39 | W34-A37 PolarHBondContact O-N 2.9Å; F35-A37 PolarHBondContact O-N 3.16Å; A37-D39 PolarHBondContact O-N 2.85Å |
| 38 | R | 64 | Low | 79 | Confident | 130 Ų | 130 | 76.1 Ų | 76.1 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | trans | -68.2 | 126.4 | 171.7 | -71.5 | -157.6 | 177.2 | 175.7 | 4.2 | 107.9 | S36 Q40 | S36-R38 PolarHBondContact O-N 3.33Å; R38-Q40 PolarHBondContact O-N 3.34Å | ||
| 39 | D | 61.9 | Low | 79 | Confident | 168 Ų | 168 | 76.3 Ų | 76.3 | 90% | 0.898 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -55.3 | -24.9 | 178 | -71.6 | -40.1 | 0 | 0 | 0 | 112.5 | A37 | A37-D39 PolarHBondContact O-N 2.85Š|
| 40 | Q | 73 | Confident | 79.2 | Confident | 163 Ų | 163 | 76.7 Ų | 76.7 | 76% | 0.762 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -137 | 140.5 | 173 | -59.2 | -153.3 | 10.3 | 0 | 0 | 113.1 | R38 D42 | R38-Q40 PolarHBondContact O-N 3.34Å; Q40-D42 PolarHBondContact O-N 2.94Å |
| 41 | M | 77.8 | Confident | 79.5 | Confident | 65 Ų | 65 | 77.4 Ų | 77.4 | 32% | 0.32 | 37% | 0.367 | S | S | . | . | trans | -69.5 | 122.8 | 173.9 | -167.8 | 72.1 | 66.6 | 0 | 0 | 110.2 | L30 Q33 W34 W43 | L30-M41 HydrophobicContact CD2-CG 4.26Å; L30-M41 HydrophobicContact CD2-SD 3.89Å; Q33-M41 HydrophobicContact CB-SD 3.52Å; Q33-M41 VanDerWaalsContact CB-SD 3.52Å; Q33-M41 HydrophobicContact CG-SD 4.37Å; Q33-M41 PolarHBondContact OE1-SD 3.46Å; W34-M41 HydrophobicContact CB-CE 4.34Å; M41-W43 HydrophobicContact CG-CD2 4.26Å; M41-W43 HydrophobicContact CG-CZ2 4.11Å; M41-W43 PolarHBondContact O-N 3.22Å | ||
| 42 | D | 81.6 | Confident | 79.8 | Confident | 57 Ų | 57 | 75.8 Ų | 75.8 | 31% | 0.305 | 36% | 0.357 | S | S | . | . | trans | -85.8 | 87.8 | 174.9 | -169.4 | -15.8 | 0 | 0 | 0 | 110.5 | Q33 Q40 R44 Q45 T46 | Q33-D42 PolarHBondContact NE2-O 3.36Å; Q33-D42 PolarHBondContact OE1-O 2.93Å; Q40-D42 PolarHBondContact O-N 2.94Å; D42-R44 PolarHBondContact O-N 2.91Å; D42-R44 WeakPolarHBondContact OD1-CA 3.33Å; D42-R44 VanDerWaalsContact OD1-CB 3.29Å; D42-R44 WeakPolarHBondContact OD1-CB 3.38Å; D42-R44 PolarHBondContact OD1-N 3.47Å; D42-Q45 HydrophobicContact CB-CB 3.92Å; D42-Q45 PolarHBondContact O-N 3.32Å; D42-Q45 PolarHBondContact OD1-N 3.19Å; D42-T46 PolarHBondContact O-N 2.97Å; D42-T46 VanDerWaalsContact O-N 3.07Å; D42-T46 PolarHBondContact O-OG1 3.08Å | ||
| 43 | W | 83.7 | Confident | 80.2 | Confident | 177 Ų | 177 | 74.1 Ų | 74.1 | 67% | 0.67 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.2 | -26 | 175 | -64 | 103 | 0 | 0 | 0 | 113 | L30 M41 R47 | L30-W43 HydrophobicContact CD2-CE3 4.45Å; L30-W43 HydrophobicContact CD2-CH2 4.47Å; L30-W43 HydrophobicContact CD2-CZ3 3.99Å; M41-W43 HydrophobicContact CG-CD2 4.26Å; M41-W43 HydrophobicContact CG-CZ2 4.11Å; M41-W43 PolarHBondContact O-N 3.22Å; W43-R47 VanDerWaalsContact O-CB 3.26Å; W43-R47 WeakPolarHBondContact O-CB 3.39Å; W43-R47 PolarHBondContact O-N 3.34Å |
| 44 | R | 84.8 | Confident | 80.6 | Confident | 126 Ų | 126 | 77.4 Ų | 77.4 | 48% | 0.475 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.4 | -43.3 | 177.6 | -172.8 | 178.4 | -179.7 | -114.3 | 0.1 | 109.9 | D42 R47 N48 E107 | D42-R44 PolarHBondContact O-N 2.91Å; D42-R44 WeakPolarHBondContact OD1-CA 3.33Å; D42-R44 VanDerWaalsContact OD1-CB 3.29Å; D42-R44 WeakPolarHBondContact OD1-CB 3.38Å; D42-R44 PolarHBondContact OD1-N 3.47Å; R44-R47 PolarHBondContact O-N 3.39Å; R44-N48 WeakPolarHBondContact O-CB 3.21Å; R44-N48 PolarHBondContact O-N 3.47Å; R44-N48 PolarHBondContact O-OD1 2.9Å; R44-E107 PolarHBondContact NH1-O 2.82Å; R44-E107 PolarHBondContact NH2-O 3.44Å |
| 45 | Q | 82.4 | Confident | 81 | Confident | 28 Ų | 28 | 72.8 Ų | 72.8 | 13% | 0.131 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.3 | -51.4 | 172.2 | -179.7 | -177.6 | -25.6 | 0 | 0 | 110.9 | D29 D42 R47 N48 V49 | D29-Q45 PolarHBondContact OD1-NE2 2.69Å; D29-Q45 VanDerWaalsContact OD1-NE2 3.16Å; D42-Q45 HydrophobicContact CB-CB 3.92Å; D42-Q45 PolarHBondContact O-N 3.32Å; D42-Q45 PolarHBondContact OD1-N 3.19Å; Q45-R47 VanDerWaalsContact C-N 3.28Å; Q45-R47 PolarHBondContact O-N 3.15Å; Q45-N48 PolarHBondContact O-N 2.96Å; Q45-N48 VanDerWaalsContact O-N 3.1Å; Q45-V49 HydrophobicContact CG-CG2 4.45Å; Q45-V49 WeakPolarHBondContact O-CG2 3.27Å; Q45-V49 PolarHBondContact O-N 3.46Å |
| 46 | T | 85.9 | Confident | 81.8 | Confident | 12 Ų | 12 | 71.3 Ų | 71.3 | 7% | 0.074 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.4 | -43.9 | 179.7 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | D29 L30 Q33 D42 V49 A50 | D29-T46 WeakPolarHBondContact OD2-CA 3.24Å; D29-T46 PolarHBondContact OD2-OG1 2.92Å; L30-T46 HydrophobicContact CD1-CG2 4.34Å; L30-T46 HydrophobicContact CD2-CG2 3.78Å; L30-T46 WeakPolarHBondContact CD2-OG1 3.49Å; L30-T46 HydrophobicContact CG-CG2 3.77Å; Q33-T46 PolarHBondContact NE2-OG1 3.09Å; D42-T46 PolarHBondContact O-N 2.97Å; D42-T46 VanDerWaalsContact O-N 3.07Å; D42-T46 PolarHBondContact O-OG1 3.08Å; T46-V49 PolarHBondContact O-N 2.95Å; T46-A50 WeakPolarHBondContact O-CB 2.86Å; T46-A50 PolarHBondContact O-N 3.35Å |
| 47 | R | 88.3 | Confident | 82.7 | Confident | 139 Ų | 139 | 70.1 Ų | 70.1 | 53% | 0.525 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 177.2 | -178.7 | -162.8 | 68.1 | -175.9 | 3.3 | 111.4 | W43 R44 Q45 V49 A50 V51 | W43-R47 VanDerWaalsContact O-CB 3.26Å; W43-R47 WeakPolarHBondContact O-CB 3.39Å; W43-R47 PolarHBondContact O-N 3.34Å; R44-R47 PolarHBondContact O-N 3.39Å; Q45-R47 VanDerWaalsContact C-N 3.28Å; Q45-R47 PolarHBondContact O-N 3.15Å; R47-V49 VanDerWaalsContact C-N 3.35Å; R47-A50 PolarHBondContact O-N 2.99Å; R47-V51 VanDerWaalsContact O-CG2 3.31Å; R47-V51 WeakPolarHBondContact O-CG2 3.48Å; R47-V51 PolarHBondContact O-N 3.35Å |
| 48 | N | 86.7 | Confident | 83.8 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.011 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.5 | -42.9 | -179.4 | -70.2 | -1.1 | 0 | 0 | 0 | 110.9 | R44 Q45 V51 V52 L106 E107 | R44-N48 WeakPolarHBondContact O-CB 3.21Å; R44-N48 PolarHBondContact O-N 3.47Å; R44-N48 PolarHBondContact O-OD1 2.9Å; Q45-N48 PolarHBondContact O-N 2.96Å; Q45-N48 VanDerWaalsContact O-N 3.1Å; N48-V51 PolarHBondContact O-N 3.46Å; N48-V52 WeakPolarHBondContact O-CG2 3.25Å; N48-V52 PolarHBondContact O-N 2.77Å; N48-L106 HydrophobicContact CB-CB 3.99Å; N48-L106 HydrophobicContact CB-CD1 4.1Å; N48-L106 PolarHBondContact ND2-O 3.22Å; N48-E107 WeakPolarHBondContact ND2-CG 3.39Å |
| 49 | V | 85.2 | Confident | 85.1 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.1 | -46.2 | 173.5 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | F25 D29 Q45 T46 R47 V51 V52 A53 F99 V103 | F25-V49 HydrophobicContact CD1-CG1 3.58Å; F25-V49 HydrophobicContact CE1-CG1 3.76Å; D29-V49 HydrophobicContact CB-CG1 4.08Å; Q45-V49 HydrophobicContact CG-CG2 4.45Å; Q45-V49 WeakPolarHBondContact O-CG2 3.27Å; Q45-V49 PolarHBondContact O-N 3.46Å; T46-V49 PolarHBondContact O-N 2.95Å; R47-V49 VanDerWaalsContact C-N 3.35Å; V49-V51 PolarHBondContact O-N 3.28Å; V49-V52 PolarHBondContact O-N 2.9Å; V49-A53 WeakPolarHBondContact O-CB 3.26Å; V49-A53 PolarHBondContact O-N 3.45Å; V49-F99 HydrophobicContact CG1-CE2 4.33Å; V49-F99 HydrophobicContact CG2-CE2 4.23Å; V49-F99 HydrophobicContact CG2-CZ 4.3Å; V49-V103 HydrophobicContact CG2-CG2 4.32Å |
| 50 | A | 88.9 | Confident | 86.5 | Confident | 20 Ų | 20 | 55.5 Ų | 55.5 | 17% | 0.165 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | A26 T46 R47 V52 A53 F54 | A26-A50 HydrophobicContact CB-CB 3.93Å; T46-A50 WeakPolarHBondContact O-CB 2.86Å; T46-A50 PolarHBondContact O-N 3.35Å; R47-A50 PolarHBondContact O-N 2.99Å; A50-V52 VanDerWaalsContact C-N 3.34Å; A50-V52 PolarHBondContact O-N 3.43Å; A50-A53 PolarHBondContact O-N 3.31Å; A50-A53 VanDerWaalsContact O-N 3.13Å; A50-F54 HydrophobicContact CB-CD2 4.34Å; A50-F54 WeakPolarHBondContact O-CB 3.27Å; A50-F54 VanDerWaalsContact O-CD2 3.24Å; A50-F54 WeakPolarHBondContact O-CD2 3.44Å; A50-F54 PolarHBondContact O-N 2.94Å |
| 51 | V | 90.5 | Very high | 87.4 | Confident | 68 Ų | 68 | 48.5 Ų | 48.5 | 41% | 0.412 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.8 | -47.6 | 178 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | R47 N48 V49 A53 S55 L106 | R47-V51 VanDerWaalsContact O-CG2 3.31Å; R47-V51 WeakPolarHBondContact O-CG2 3.48Å; R47-V51 PolarHBondContact O-N 3.35Å; N48-V51 PolarHBondContact O-N 3.46Å; V49-V51 PolarHBondContact O-N 3.28Å; V51-A53 PolarHBondContact O-N 3.06Å; V51-S55 WeakPolarHBondContact O-CB 3.17Å; V51-S55 PolarHBondContact O-N 2.95Å; V51-S55 PolarHBondContact O-OG 3.44Å; V51-L106 HydrophobicContact CB-CD1 3.93Å; V51-L106 HydrophobicContact CG1-CD1 3.75Å; V51-L106 HydrophobicContact CG1-CD2 4.48Å |
| 52 | V | 89.9 | Confident | 88.1 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.03 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.5 | -41.1 | 177.3 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | N48 V49 A50 F56 H57 F99 V103 L106 | N48-V52 WeakPolarHBondContact O-CG2 3.25Å; N48-V52 PolarHBondContact O-N 2.77Å; V49-V52 PolarHBondContact O-N 2.9Å; A50-V52 VanDerWaalsContact C-N 3.34Å; A50-V52 PolarHBondContact O-N 3.43Å; V52-F56 PolarHBondContact O-N 3.47Å; V52-H57 PolarHBondContact O-N 3.43Å; V52-H57 VanDerWaalsContact O-N 3.16Å; V52-F99 HydrophobicContact CG1-CD2 4.42Å; V52-V103 HydrophobicContact CG2-CG2 4.2Å; V52-L106 HydrophobicContact CG2-CD1 3.83Å |
| 53 | A | 89.1 | Confident | 88.6 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | I | π-helix | trans | -65.7 | -45.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y21 F25 V49 A50 V51 G58 | Y21-A53 HydrophobicContact CE1-CB 4.5Å; F25-A53 HydrophobicContact CB-CB 3.92Å; F25-A53 HydrophobicContact CD1-CB 3.75Å; F25-A53 HydrophobicContact CG-CB 4.05Å; V49-A53 WeakPolarHBondContact O-CB 3.26Å; V49-A53 PolarHBondContact O-N 3.45Å; A50-A53 PolarHBondContact O-N 3.31Å; A50-A53 VanDerWaalsContact O-N 3.13Å; V51-A53 PolarHBondContact O-N 3.06Å; A53-G58 PolarHBondContact O-N 2.86Å |
| 54 | F | 89.8 | Confident | 89 | Confident | 75 Ų | 75 | 41.7 Ų | 41.7 | 33% | 0.329 | 20% | 0.197 | S | C | . | . | I | π-helix | trans | -76.1 | -38.4 | -179.7 | -81.6 | -86.5 | 0 | 0 | 0 | 112.7 | T19 A50 N59 | T19-F54 HydrophobicContact CG2-CE1 4.3Å; A50-F54 HydrophobicContact CB-CD2 4.34Å; A50-F54 WeakPolarHBondContact O-CB 3.27Å; A50-F54 VanDerWaalsContact O-CD2 3.24Å; A50-F54 WeakPolarHBondContact O-CD2 3.44Å; A50-F54 PolarHBondContact O-N 2.94Å; F54-N59 PolarHBondContact O-ND2 3.29Å |
| 55 | S | 89.1 | Confident | 89.3 | Confident | 75 Ų | 75 | 35.7 Ų | 35.7 | 52% | 0.524 | 17% | 0.174 | S | C | . | . | I | π-helix | trans | -76.8 | -46.2 | -177.3 | 62.9 | 0 | 0 | 0 | 0 | 112.2 | V51 N59 | V51-S55 WeakPolarHBondContact O-CB 3.17Å; V51-S55 PolarHBondContact O-N 2.95Å; V51-S55 PolarHBondContact O-OG 3.44Å; S55-N59 PolarHBondContact O-ND2 2.93Å |
| 56 | F | 91.2 | Very high | 89.7 | Confident | 65 Ų | 65 | 36.5 Ų | 36.5 | 29% | 0.285 | 18% | 0.176 | S | C | . | . | I | π-helix | trans | -114.6 | -63 | -171.3 | -175.1 | -97.7 | 0 | 0 | 0 | 113 | V52 G58 N59 F60 V98 | V52-F56 PolarHBondContact O-N 3.47Å; F56-G58 PolarHBondContact O-N 2.94Å; F56-N59 PolarHBondContact O-N 3.5Å; F56-F60 HydrophobicContact CD1-CB 4.42Å; F56-F60 HydrophobicContact CE1-CB 4.11Å; F56-F60 HydrophobicContact CE1-CD1 4.5Å; F56-F60 HydrophobicContact CE1-CG 4.18Å; F56-F60 HydrophobicContact CZ-CB 4.17Å; F56-F60 HydrophobicContact CZ-CD2 4.19Å; F56-F60 HydrophobicContact CZ-CG 4.12Å; F56-F60 WeakPolarHBondContact O-CB 3.31Å; F56-F60 PolarHBondContact O-N 3.45Å; F56-V98 HydrophobicContact CB-CG1 4.32Å; F56-V98 HydrophobicContact CD1-CB 3.86Å; F56-V98 HydrophobicContact CD1-CG1 3.33Å; F56-V98 HydrophobicContact CD1-CG2 4.27Å; F56-V98 HydrophobicContact CD2-CG1 4.38Å; F56-V98 HydrophobicContact CE1-CB 3.67Å; F56-V98 HydrophobicContact CE1-CG1 3.64Å; F56-V98 HydrophobicContact CE1-CG2 3.68Å; F56-V98 HydrophobicContact CG-CG1 3.76Å; F56-V98 HydrophobicContact CZ-CB 4.33Å; F56-V98 HydrophobicContact CZ-CG1 4.29Å; F56-V98 HydrophobicContact CZ-CG2 3.84Å |
| 57 | H | 88.8 | Confident | 90.1 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 5% | 0.051 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -60.4 | -46.4 | -168.1 | -76.8 | -178.2 | 0 | 0 | 0 | 113.7 | Y21 F25 V52 N59 F60 N61 A95 F99 | Y21-H57 HydrophobicContact CE1-CB 3.57Å; F25-H57 AromaticContact CZ-ND1 4Å; V52-H57 PolarHBondContact O-N 3.43Å; V52-H57 VanDerWaalsContact O-N 3.16Å; H57-N59 VanDerWaalsContact C-N 3.35Å; H57-N59 PolarHBondContact O-N 3.02Å; H57-F60 PolarHBondContact O-N 3.26Å; H57-N61 WeakPolarHBondContact O-CB 3.43Å; H57-N61 PolarHBondContact O-N 2.86Å; H57-A95 PolarHBondContact NE2-O 2.84Å; H57-F99 AromaticContact CE1-CD2 3.89Å |
| 58 | G | 87.3 | Confident | 90.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.5 | -44.6 | -180 | 0 | 0 | 0 | 0 | 0 | 111.7 | A53 F56 F62 | A53-G58 PolarHBondContact O-N 2.86Å; F56-G58 PolarHBondContact O-N 2.94Å; G58-F62 VanDerWaalsContact O-CB 3.3Å; G58-F62 WeakPolarHBondContact O-CB 3.47Å; G58-F62 PolarHBondContact O-N 3.31Å |
| 59 | N | 91.6 | Very high | 90.5 | Very high | 33 Ų | 33 | 35.8 Ų | 35.8 | 18% | 0.176 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.2 | -50.9 | 177.5 | -70.3 | -62 | 0 | 0 | 0 | 111.5 | W14 F54 S55 F56 H57 N61 F62 F63 | W14-N59 WeakPolarHBondContact CZ2-OD1 3.45Å; W14-N59 PolarHBondContact NE1-OD1 3.42Å; F54-N59 PolarHBondContact O-ND2 3.29Å; S55-N59 PolarHBondContact O-ND2 2.93Å; F56-N59 PolarHBondContact O-N 3.5Å; H57-N59 VanDerWaalsContact C-N 3.35Å; H57-N59 PolarHBondContact O-N 3.02Å; N59-N61 VanDerWaalsContact C-N 3.33Å; N59-N61 PolarHBondContact O-N 3.35Å; N59-F62 PolarHBondContact O-N 3.48Å; N59-F63 WeakPolarHBondContact O-CD2 3.19Å; N59-F63 PolarHBondContact O-N 3.36Å |
| 60 | F | 92.1 | Very high | 90.8 | Very high | 42 Ų | 42 | 45.1 Ų | 45.1 | 18% | 0.184 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.5 | -51 | 178.3 | 175.1 | -106.8 | 0 | 0 | 0 | 110.5 | F56 H57 F62 F63 W64 A91 L94 | F56-F60 HydrophobicContact CD1-CB 4.42Å; F56-F60 HydrophobicContact CE1-CB 4.11Å; F56-F60 HydrophobicContact CE1-CD1 4.5Å; F56-F60 HydrophobicContact CE1-CG 4.18Å; F56-F60 HydrophobicContact CZ-CB 4.17Å; F56-F60 HydrophobicContact CZ-CD2 4.19Å; F56-F60 HydrophobicContact CZ-CG 4.12Å; F56-F60 WeakPolarHBondContact O-CB 3.31Å; F56-F60 PolarHBondContact O-N 3.45Å; H57-F60 PolarHBondContact O-N 3.26Å; F60-F62 PolarHBondContact O-N 3.35Å; F60-F63 PolarHBondContact O-N 3.4Å; F60-W64 HydrophobicContact CE2-CE3 4.23Å; F60-W64 HydrophobicContact CZ-CB 4.48Å; F60-W64 HydrophobicContact CZ-CD2 4.19Å; F60-W64 HydrophobicContact CZ-CE3 4.11Å; F60-W64 HydrophobicContact CZ-CG 4.36Å; F60-W64 WeakPolarHBondContact O-CB 3.34Å; F60-W64 PolarHBondContact O-N 3.44Å; F60-A91 HydrophobicContact CE1-CB 3.78Å; F60-A91 HydrophobicContact CZ-CB 3.88Å; F60-L94 HydrophobicContact CE2-CD2 3.71Å; F60-L94 HydrophobicContact CZ-CD2 3.78Å |
| 61 | N | 91 | Very high | 90.9 | Very high | 15 Ų | 15 | 51.1 Ų | 51.1 | 8% | 0.08 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.4 | -46.6 | 178.6 | -174.1 | -80 | 0 | 0 | 0 | 111.8 | H57 N59 F63 W64 M65 T148 | H57-N61 WeakPolarHBondContact O-CB 3.43Å; H57-N61 PolarHBondContact O-N 2.86Å; N59-N61 VanDerWaalsContact C-N 3.33Å; N59-N61 PolarHBondContact O-N 3.35Å; N61-F63 VanDerWaalsContact C-N 3.34Å; N61-F63 PolarHBondContact O-N 3.07Å; N61-W64 PolarHBondContact O-N 3.02Å; N61-M65 WeakPolarHBondContact ND2-CE 3.3Å; N61-M65 VanDerWaalsContact O-CG 3.25Å; N61-M65 WeakPolarHBondContact O-CG 3.27Å; N61-M65 PolarHBondContact O-N 2.94Å; N61-T148 HydrophobicContact CB-CG2 4.19Å; N61-T148 VanDerWaalsContact OD1-CA 3.25Å; N61-T148 WeakPolarHBondContact OD1-CA 3.5Å; N61-T148 VanDerWaalsContact OD1-CB 3.25Å; N61-T148 WeakPolarHBondContact OD1-CB 2.7Å; N61-T148 WeakPolarHBondContact OD1-CG2 3.34Å; N61-T148 PolarHBondContact OD1-OG1 3.28Å |
| 62 | F | 91.3 | Very high | 91 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59 | -42.6 | -179.6 | -177.8 | -93 | 0 | 0 | 0 | 113.7 | P13 W14 N17 V18 G58 N59 F60 R66 T148 | P13-F62 VanDerWaalsContact C-CE2 3.45Å; P13-F62 HydrophobicContact CB-CE2 4.22Å; P13-F62 HydrophobicContact CB-CZ 4.3Å; P13-F62 VanDerWaalsContact O-CE2 3.27Å; P13-F62 WeakPolarHBondContact O-CE2 3.25Å; W14-F62 HydrophobicContact CB-CD1 4.28Å; W14-F62 HydrophobicContact CB-CE1 3.58Å; W14-F62 HydrophobicContact CB-CE2 4.1Å; W14-F62 HydrophobicContact CB-CZ 3.43Å; W14-F62 VanDerWaalsContact CB-CZ 3.43Å; W14-F62 AromaticContact CD1-CD1 3.47Å; W14-F62 VanDerWaalsContact CD1-CD1 3.47Å; W14-F62 AromaticContact CD1-CE1 3.65Å; W14-F62 AromaticContact CD1-CG 3.86Å; W14-F62 HydrophobicContact CG-CD1 4.17Å; W14-F62 AromaticContact CG-CE1 3.88Å; W14-F62 HydrophobicContact CG-CE1 3.88Å; W14-F62 HydrophobicContact CG-CZ 4.19Å; W14-F62 VanDerWaalsContact N-CZ 3.33Å; N17-F62 HydrophobicContact CB-CD2 3.86Å; N17-F62 HydrophobicContact CB-CE2 4.21Å; V18-F62 HydrophobicContact CG2-CB 4.37Å; G58-F62 VanDerWaalsContact O-CB 3.3Å; G58-F62 WeakPolarHBondContact O-CB 3.47Å; G58-F62 PolarHBondContact O-N 3.31Å; N59-F62 PolarHBondContact O-N 3.48Å; F60-F62 PolarHBondContact O-N 3.35Å; F62-R66 VanDerWaalsContact CE1-NH1 3.31Å; F62-R66 PolarHBondContact O-NH1 3.01Å; F62-R66 VanDerWaalsContact O-NH1 3.07Å; F62-T148 VanDerWaalsContact CA-OG1 3.28Å; F62-T148 WeakPolarHBondContact CA-OG1 3.31Å; F62-T148 HydrophobicContact CB-CG2 4.39Å |
| 63 | F | 92.5 | Very high | 90.9 | Very high | 117 Ų | 117 | 53.4 Ų | 53.4 | 51% | 0.513 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -76 | -37.5 | 176.6 | -71.4 | -65.8 | 0 | 0 | 0 | 111.9 | N59 F60 N61 R66 F67 | N59-F63 WeakPolarHBondContact O-CD2 3.19Å; N59-F63 PolarHBondContact O-N 3.36Å; F60-F63 PolarHBondContact O-N 3.4Å; N61-F63 VanDerWaalsContact C-N 3.34Å; N61-F63 PolarHBondContact O-N 3.07Å; F63-R66 WeakPolarHBondContact O-CB 3.28Å; F63-R66 PolarHBondContact O-N 3.2Å; F63-F67 WeakPolarHBondContact O-CB 3.22Å; F63-F67 PolarHBondContact O-N 2.82Å |
| 64 | W | 93.4 | Very high | 90.8 | Very high | 31 Ų | 31 | 55 Ų | 55 | 12% | 0.117 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 178 | -175.4 | -108.5 | 0 | 0 | 0 | 112.4 | F60 N61 R66 F67 L68 L86 D87 T90 A91 | F60-W64 HydrophobicContact CE2-CE3 4.23Å; F60-W64 HydrophobicContact CZ-CB 4.48Å; F60-W64 HydrophobicContact CZ-CD2 4.19Å; F60-W64 HydrophobicContact CZ-CE3 4.11Å; F60-W64 HydrophobicContact CZ-CG 4.36Å; F60-W64 WeakPolarHBondContact O-CB 3.34Å; F60-W64 PolarHBondContact O-N 3.44Å; N61-W64 PolarHBondContact O-N 3.02Å; W64-R66 PolarHBondContact O-N 3.1Å; W64-F67 HydrophobicContact CE3-CD1 4.05Å; W64-F67 HydrophobicContact CH2-CD1 4.42Å; W64-F67 HydrophobicContact CH2-CE1 4.34Å; W64-F67 AromaticContact CZ3-CD1 3.94Å; W64-F67 HydrophobicContact CZ3-CD1 3.94Å; W64-F67 HydrophobicContact CZ3-CE1 4.1Å; W64-F67 WeakPolarHBondContact O-CB 3.32Å; W64-F67 PolarHBondContact O-N 2.92Å; W64-F67 VanDerWaalsContact O-N 3.12Å; W64-L68 HydrophobicContact CD2-CG 4.5Å; W64-L68 HydrophobicContact CZ2-CD2 4.15Å; W64-L68 HydrophobicContact CZ2-CG 4.48Å; W64-L68 WeakPolarHBondContact O-CG 3.3Å; W64-L68 PolarHBondContact O-N 3.4Å; W64-L86 HydrophobicContact CH2-CD2 4.35Å; W64-L86 HydrophobicContact CH2-CG 4.09Å; W64-L86 HydrophobicContact CZ2-CD2 4.45Å; W64-L86 HydrophobicContact CZ2-CG 3.98Å; W64-D87 VanDerWaalsContact CD1-OD1 3.27Å; W64-D87 PolarHBondContact NE1-OD1 2.84Å; W64-T90 HydrophobicContact CH2-CG2 3.8Å; W64-T90 HydrophobicContact CZ3-CG2 4.44Å; W64-A91 HydrophobicContact CD2-CB 4.03Å; W64-A91 VanDerWaalsContact CE2-CB 3.45Å; W64-A91 HydrophobicContact CG-CB 4.24Å; W64-A91 HydrophobicContact CZ2-CB 3.8Å; W64-A91 VanDerWaalsContact NE1-CB 3.27Å |
| 65 | M | 90.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58 | -37.5 | 175.8 | -67.2 | -58.6 | 135.1 | 0 | 0 | 112.1 | N61 E69 Q135 F139 L144 R147 | N61-M65 WeakPolarHBondContact ND2-CE 3.3Å; N61-M65 VanDerWaalsContact O-CG 3.25Å; N61-M65 WeakPolarHBondContact O-CG 3.27Å; N61-M65 PolarHBondContact O-N 2.94Å; M65-E69 WeakPolarHBondContact O-CB 3.4Å; M65-E69 PolarHBondContact O-N 2.73Å; M65-E69 VanDerWaalsContact O-N 3.15Å; M65-Q135 VanDerWaalsContact CE-NE2 3.33Å; M65-F139 HydrophobicContact CE-CE1 4.35Å; M65-F139 HydrophobicContact CE-CZ 4.32Å; M65-F139 HydrophobicContact SD-CD1 4.49Å; M65-F139 HydrophobicContact SD-CE1 3.53Å; M65-F139 VanDerWaalsContact SD-CE1 3.53Å; M65-F139 HydrophobicContact SD-CZ 4.08Å; M65-L144 HydrophobicContact CB-CD1 4.21Å; M65-R147 HydrophobicContact CB-CB 4.49Å; M65-R147 HydrophobicContact CG-CB 4.08Å; M65-R147 HydrophobicContact SD-CB 4.29Å |
| 66 | R | 91.3 | Very high | 90.6 | Very high | 45 Ų | 45 | 55.7 Ų | 55.7 | 17% | 0.17 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -73.8 | -38.2 | 176.5 | -77.1 | 170.4 | 172.4 | 64.6 | 7.4 | 112.8 | F62 F63 W64 E69 R70 L144 | F62-R66 VanDerWaalsContact CE1-NH1 3.31Å; F62-R66 PolarHBondContact O-NH1 3.01Å; F62-R66 VanDerWaalsContact O-NH1 3.07Å; F63-R66 WeakPolarHBondContact O-CB 3.28Å; F63-R66 PolarHBondContact O-N 3.2Å; W64-R66 PolarHBondContact O-N 3.1Å; R66-E69 PolarHBondContact O-N 3.19Å; R66-R70 WeakPolarHBondContact O-CB 3.43Å; R66-R70 WeakPolarHBondContact O-CG 3.32Å; R66-R70 PolarHBondContact O-N 3.16Å; R66-L144 HydrophobicContact CG-CD1 4.36Å; R66-L144 HydrophobicContact CG-CD2 4.28Å |
| 67 | F | 93.9 | Very high | 90.4 | Very high | 104 Ų | 104 | 56.2 Ų | 56.2 | 46% | 0.456 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.5 | -49.1 | 175.4 | 169.3 | -100.5 | 0 | 0 | 0 | 110.5 | F63 W64 E69 R70 R71 L86 | F63-F67 WeakPolarHBondContact O-CB 3.22Å; F63-F67 PolarHBondContact O-N 2.82Å; W64-F67 HydrophobicContact CE3-CD1 4.05Å; W64-F67 HydrophobicContact CH2-CD1 4.42Å; W64-F67 HydrophobicContact CH2-CE1 4.34Å; W64-F67 AromaticContact CZ3-CD1 3.94Å; W64-F67 HydrophobicContact CZ3-CD1 3.94Å; W64-F67 HydrophobicContact CZ3-CE1 4.1Å; W64-F67 WeakPolarHBondContact O-CB 3.32Å; W64-F67 PolarHBondContact O-N 2.92Å; W64-F67 VanDerWaalsContact O-N 3.12Å; F67-E69 VanDerWaalsContact C-N 3.33Å; F67-E69 PolarHBondContact O-N 3.05Å; F67-R70 PolarHBondContact O-N 3.42Å; F67-R71 WeakPolarHBondContact O-CB 3.48Å; F67-R71 PolarHBondContact O-N 2.86Å; F67-L86 HydrophobicContact CE1-CD2 4.17Å |
| 68 | L | 91.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.7 | -42.1 | 176.8 | -72.2 | -177 | 0 | 0 | 0 | 112.4 | W64 R71 F72 K83 L86 D87 F139 | W64-L68 HydrophobicContact CD2-CG 4.5Å; W64-L68 HydrophobicContact CZ2-CD2 4.15Å; W64-L68 HydrophobicContact CZ2-CG 4.48Å; W64-L68 WeakPolarHBondContact O-CG 3.3Å; W64-L68 PolarHBondContact O-N 3.4Å; L68-R71 PolarHBondContact O-N 3.12Å; L68-F72 HydrophobicContact CD2-CD2 4.46Å; L68-F72 PolarHBondContact O-N 3.47Å; L68-K83 HydrophobicContact CB-CG 4.24Å; L68-K83 HydrophobicContact CD1-CB 4.37Å; L68-L86 HydrophobicContact CD2-CB 4.23Å; L68-L86 HydrophobicContact CD2-CD2 3.69Å; L68-L86 HydrophobicContact CD2-CG 4.21Å; L68-D87 HydrophobicContact CD1-CB 4.31Å; L68-F139 HydrophobicContact CD1-CE1 3.84Å; L68-F139 HydrophobicContact CD1-CE2 4.43Å; L68-F139 HydrophobicContact CD1-CZ 3.48Å; L68-F139 VanDerWaalsContact CD1-CZ 3.48Å |
| 69 | E | 90.6 | Very high | 90.7 | Very high | 34 Ų | 34 | 59.9 Ų | 59.9 | 16% | 0.159 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.4 | -37.6 | 178.1 | -164.2 | 59.3 | -132.7 | 0 | 0 | 112.5 | M65 R66 F67 F72 P73 G74 K83 L144 R147 | M65-E69 WeakPolarHBondContact O-CB 3.4Å; M65-E69 PolarHBondContact O-N 2.73Å; M65-E69 VanDerWaalsContact O-N 3.15Å; R66-E69 PolarHBondContact O-N 3.19Å; F67-E69 VanDerWaalsContact C-N 3.33Å; F67-E69 PolarHBondContact O-N 3.05Å; E69-F72 CarbonylContact O-C 3.6Å; E69-P73 VanDerWaalsContact O-CA 3.27Å; E69-P73 WeakPolarHBondContact O-CA 3.27Å; E69-G74 PolarHBondContact OE1-N 3Å; E69-K83 VanDerWaalsContact CD-NZ 3.26Å; E69-K83 IonicContact OE1-NZ 2.74Å; E69-K83 PolarHBondContact OE1-NZ 3.35Å; E69-K83 IonicContact OE2-NZ 2.7Å; E69-K83 PolarHBondContact OE2-NZ 2.95Å; E69-L144 HydrophobicContact CB-CD1 4.06Å; E69-L144 HydrophobicContact CB-CD2 4.27Å; E69-L144 HydrophobicContact CG-CD1 4.45Å; E69-L144 HydrophobicContact CG-CD2 4.17Å; E69-R147 IonicContact OE2-CZ 3.71Å; E69-R147 IonicContact OE2-NH1 3.46Å; E69-R147 PolarHBondContact OE2-NH1 3.21Å; E69-R147 IonicContact OE2-NH2 2.63Å; E69-R147 PolarHBondContact OE2-NH2 2.72Å |
| 70 | R | 91.4 | Very high | 90.7 | Very high | 199 Ų | 199 | 58.4 Ų | 58.4 | 75% | 0.751 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -67.1 | -39.7 | 174.2 | -80.7 | -171.4 | 170.8 | 95.2 | -3 | 112.5 | R66 F67 | R66-R70 WeakPolarHBondContact O-CB 3.43Å; R66-R70 WeakPolarHBondContact O-CG 3.32Å; R66-R70 PolarHBondContact O-N 3.16Å; F67-R70 PolarHBondContact O-N 3.42Å |
| 71 | R | 92.6 | Very high | 90.7 | Very high | 147 Ų | 147 | 61.4 Ų | 61.4 | 56% | 0.555 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -79.5 | -31.1 | -175.5 | -177.8 | 58.6 | -175 | 82.1 | -4.1 | 113.2 | F67 L68 | F67-R71 WeakPolarHBondContact O-CB 3.48Å; F67-R71 PolarHBondContact O-N 2.86Å; L68-R71 PolarHBondContact O-N 3.12Å |
| 72 | F | 91.6 | Very high | 90.8 | Very high | 29 Ų | 29 | 66 Ų | 66 | 13% | 0.127 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -132.7 | 71.1 | -178.7 | -55.3 | -71.8 | 0 | 0 | 0 | 109.7 | L68 E69 M79 K82 K83 L86 | L68-F72 HydrophobicContact CD2-CD2 4.46Å; L68-F72 PolarHBondContact O-N 3.47Å; E69-F72 CarbonylContact O-C 3.6Å; F72-M79 HydrophobicContact CB-SD 4.08Å; F72-M79 HydrophobicContact CD1-SD 4.25Å; F72-K82 HydrophobicContact CD1-CB 4.12Å; F72-K82 HydrophobicContact CD1-CD 4.08Å; F72-K82 HydrophobicContact CE1-CB 4.17Å; F72-K82 HydrophobicContact CE1-CD 4.04Å; F72-K82 HydrophobicContact CG-CB 4.4Å; F72-K82 HydrophobicContact CZ-CB 4.49Å; F72-K83 HydrophobicContact CB-CG 3.99Å; F72-K83 HydrophobicContact CD2-CG 4.27Å; F72-K83 HydrophobicContact CG-CG 4.5Å; F72-K83 WeakPolarHBondContact O-CE 3.46Å; F72-K83 PolarHBondContact O-NZ 2.8Å; F72-L86 HydrophobicContact CE2-CD2 3.9Å |
| 73 | P | 88.6 | Confident | 90.8 | Very high | 92 Ų | 92 | 65.7 Ų | 65.7 | 60% | 0.597 | 34% | 0.337 | S | S | * | . | trans | -64.3 | 141.8 | -174.1 | 25.8 | -34.3 | 0 | 0 | 0 | 112.4 | E69 | E69-P73 VanDerWaalsContact O-CA 3.27Å; E69-P73 WeakPolarHBondContact O-CA 3.27Å | ||
| 74 | G | 85.7 | Confident | 90.9 | Very high | 33 Ų | 33 | 61 Ų | 61 | 34% | 0.34 | 32% | 0.317 | S | S | . | . | S | Bend | trans | 92.4 | 178.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E69 K83 | E69-G74 PolarHBondContact OE1-N 3Å; G74-K83 PolarHBondContact O-NZ 3.38Å |
| 75 | N | 85.2 | Confident | 90.9 | Very high | 94 Ų | 94 | 66.4 Ų | 66.4 | 50% | 0.503 | 34% | 0.342 | S | S | . | . | trans | -117.7 | 18.3 | -168.1 | -64.3 | -2.2 | 0 | 0 | 0 | 113.2 | ||||
| 76 | S | 90.4 | Very high | 91 | Very high | 71 Ų | 71 | 68.6 Ų | 68.6 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | trans | -62.5 | 147.1 | 173.5 | 68.5 | 0 | 0 | 0 | 0 | 110 | G78 M79 V80 | S76-G78 PolarHBondContact O-N 3.2Å; S76-G78 VanDerWaalsContact O-N 3.14Å; S76-M79 PolarHBondContact O-N 3.23Å; S76-M79 VanDerWaalsContact OG-CG 3.31Å; S76-M79 WeakPolarHBondContact OG-CG 3.17Å; S76-V80 PolarHBondContact O-N 2.74Å | ||
| 77 | A | 87.9 | Confident | 91 | Very high | 76 Ų | 76 | 66.9 Ų | 66.9 | 63% | 0.628 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -52 | -42.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112 | M79 V80 M81 | A77-M79 PolarHBondContact O-N 2.9Å; A77-V80 PolarHBondContact O-N 2.97Å; A77-M81 WeakPolarHBondContact O-CB 3.05Å; A77-M81 VanDerWaalsContact O-CG 3.25Å; A77-M81 WeakPolarHBondContact O-CG 3.25Å; A77-M81 PolarHBondContact O-N 2.79Å |
| 78 | G | 90.3 | Very high | 90.9 | Very high | 41 Ų | 41 | 62.6 Ų | 62.6 | 42% | 0.423 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.4 | -35.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S76 K82 | S76-G78 PolarHBondContact O-N 3.2Å; S76-G78 VanDerWaalsContact O-N 3.14Å; G78-K82 VanDerWaalsContact O-CG 3.32Å; G78-K82 WeakPolarHBondContact O-CG 3.44Å; G78-K82 PolarHBondContact O-N 3.05Å |
| 79 | M | 91.4 | Very high | 90.9 | Very high | 46 Ų | 46 | 65.5 Ų | 65.5 | 23% | 0.227 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -73.9 | -42.1 | 175.8 | -68.6 | -55 | 110.3 | 0 | 0 | 111.5 | F72 S76 A77 M81 K82 K83 | F72-M79 HydrophobicContact CB-SD 4.08Å; F72-M79 HydrophobicContact CD1-SD 4.25Å; S76-M79 PolarHBondContact O-N 3.23Å; S76-M79 VanDerWaalsContact OG-CG 3.31Å; S76-M79 WeakPolarHBondContact OG-CG 3.17Å; A77-M79 PolarHBondContact O-N 2.9Å; M79-M81 VanDerWaalsContact C-N 3.33Å; M79-M81 PolarHBondContact O-N 2.87Å; M79-K82 HydrophobicContact CE-CD 4.01Å; M79-K82 PolarHBondContact O-N 3.43Å; M79-K82 HydrophobicContact SD-CD 4.46Å; M79-K83 WeakPolarHBondContact O-CG 3.36Å; M79-K83 PolarHBondContact O-N 3Å |
| 80 | V | 91.6 | Very high | 91 | Very high | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.018 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 175.9 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | S76 A77 K82 K83 L84 F136 F139 | S76-V80 PolarHBondContact O-N 2.74Å; A77-V80 PolarHBondContact O-N 2.97Å; V80-K82 PolarHBondContact O-N 3.46Å; V80-K83 WeakPolarHBondContact O-CB 3.35Å; V80-K83 PolarHBondContact O-N 2.67Å; V80-L84 VanDerWaalsContact O-CB 3.32Å; V80-L84 WeakPolarHBondContact O-CB 3.39Å; V80-L84 PolarHBondContact O-N 3.36Å; V80-F136 HydrophobicContact CG1-CD2 3.54Å; V80-F136 HydrophobicContact CG1-CE2 3.72Å; V80-F136 HydrophobicContact CG1-CG 4.4Å; V80-F139 HydrophobicContact CG1-CB 4.04Å; V80-F139 HydrophobicContact CG2-CB 4.41Å |
| 81 | M | 91.7 | Very high | 90.9 | Very high | 105 Ų | 105 | 57.5 Ų | 57.5 | 52% | 0.517 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 177 | -68.5 | -54.2 | -67 | 0 | 0 | 112.8 | A77 M79 L84 F85 F136 | A77-M81 WeakPolarHBondContact O-CB 3.05Å; A77-M81 VanDerWaalsContact O-CG 3.25Å; A77-M81 WeakPolarHBondContact O-CG 3.25Å; A77-M81 PolarHBondContact O-N 2.79Å; M79-M81 VanDerWaalsContact C-N 3.33Å; M79-M81 PolarHBondContact O-N 2.87Å; M81-L84 PolarHBondContact O-N 3.42Å; M81-L84 HydrophobicContact SD-CD2 4.34Å; M81-F85 WeakPolarHBondContact O-CB 3.24Å; M81-F85 PolarHBondContact O-N 3.43Å; M81-F136 HydrophobicContact SD-CD2 4.46Å |
| 82 | K | 92.6 | Very high | 90.7 | Very high | 112 Ų | 112 | 51.4 Ų | 51.4 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 173.9 | -75.6 | 174.7 | -178.1 | -178.7 | 0 | 112.2 | F72 G78 M79 V80 L84 F85 L86 | F72-K82 HydrophobicContact CD1-CB 4.12Å; F72-K82 HydrophobicContact CD1-CD 4.08Å; F72-K82 HydrophobicContact CE1-CB 4.17Å; F72-K82 HydrophobicContact CE1-CD 4.04Å; F72-K82 HydrophobicContact CG-CB 4.4Å; F72-K82 HydrophobicContact CZ-CB 4.49Å; G78-K82 VanDerWaalsContact O-CG 3.32Å; G78-K82 WeakPolarHBondContact O-CG 3.44Å; G78-K82 PolarHBondContact O-N 3.05Å; M79-K82 HydrophobicContact CE-CD 4.01Å; M79-K82 PolarHBondContact O-N 3.43Å; M79-K82 HydrophobicContact SD-CD 4.46Å; V80-K82 PolarHBondContact O-N 3.46Å; K82-L84 VanDerWaalsContact C-N 3.31Å; K82-F85 PolarHBondContact O-N 2.94Å; K82-L86 WeakPolarHBondContact O-CB 3.47Å; K82-L86 PolarHBondContact O-N 3.27Å |
| 83 | K | 92.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.9 | -48.1 | 173.9 | -69.7 | 174 | -175.1 | 171.8 | 0 | 110.1 | L68 E69 F72 G74 M79 V80 L86 D87 F139 | L68-K83 HydrophobicContact CB-CG 4.24Å; L68-K83 HydrophobicContact CD1-CB 4.37Å; E69-K83 VanDerWaalsContact CD-NZ 3.26Å; E69-K83 IonicContact OE1-NZ 2.74Å; E69-K83 PolarHBondContact OE1-NZ 3.35Å; E69-K83 IonicContact OE2-NZ 2.7Å; E69-K83 PolarHBondContact OE2-NZ 2.95Å; F72-K83 HydrophobicContact CB-CG 3.99Å; F72-K83 HydrophobicContact CD2-CG 4.27Å; F72-K83 HydrophobicContact CG-CG 4.5Å; F72-K83 WeakPolarHBondContact O-CE 3.46Å; F72-K83 PolarHBondContact O-NZ 2.8Å; G74-K83 PolarHBondContact O-NZ 3.38Å; M79-K83 WeakPolarHBondContact O-CG 3.36Å; M79-K83 PolarHBondContact O-N 3Å; V80-K83 WeakPolarHBondContact O-CB 3.35Å; V80-K83 PolarHBondContact O-N 2.67Å; K83-L86 PolarHBondContact O-N 3.41Å; K83-D87 WeakPolarHBondContact O-CB 3.2Å; K83-D87 PolarHBondContact O-N 3.23Å; K83-F139 HydrophobicContact CB-CD1 4.47Å; K83-F139 HydrophobicContact CB-CD2 3.88Å; K83-F139 HydrophobicContact CB-CE1 4.45Å; K83-F139 HydrophobicContact CB-CE2 3.87Å; K83-F139 HydrophobicContact CB-CG 4.21Å; K83-F139 HydrophobicContact CB-CZ 4.19Å; K83-F139 HydrophobicContact CD-CB 4.42Å; K83-F139 HydrophobicContact CD-CD1 4.07Å; K83-F139 HydrophobicContact CD-CG 4.14Å |
| 84 | L | 93.1 | Very high | 90.8 | Very high | 18 Ų | 18 | 50.3 Ų | 50.3 | 9% | 0.094 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -48.5 | -179.2 | -168.6 | 62.8 | 0 | 0 | 0 | 111.9 | V80 M81 K82 L86 D87 Q88 P132 Q135 F136 F139 | V80-L84 VanDerWaalsContact O-CB 3.32Å; V80-L84 WeakPolarHBondContact O-CB 3.39Å; V80-L84 PolarHBondContact O-N 3.36Å; M81-L84 PolarHBondContact O-N 3.42Å; M81-L84 HydrophobicContact SD-CD2 4.34Å; K82-L84 VanDerWaalsContact C-N 3.31Å; L84-L86 VanDerWaalsContact C-N 3.34Å; L84-L86 PolarHBondContact O-N 2.93Å; L84-D87 WeakPolarHBondContact O-CB 3.14Å; L84-D87 PolarHBondContact O-N 3.07Å; L84-Q88 HydrophobicContact CD1-CG 4.32Å; L84-Q88 HydrophobicContact CG-CG 4.43Å; L84-Q88 VanDerWaalsContact O-CG 3.28Å; L84-Q88 WeakPolarHBondContact O-CG 3.39Å; L84-Q88 PolarHBondContact O-N 3Å; L84-P132 HydrophobicContact CD1-CB 4.41Å; L84-P132 WeakPolarHBondContact CD1-O 3.48Å; L84-P132 HydrophobicContact CD2-CB 4.33Å; L84-Q135 HydrophobicContact CD1-CB 3.58Å; L84-F136 HydrophobicContact CD2-CB 4.29Å; L84-F139 HydrophobicContact CD1-CE2 4.44Å |
| 85 | F | 93.8 | Very high | 91 | Very high | 146 Ų | 146 | 49.8 Ų | 49.8 | 64% | 0.64 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -58.9 | -46.2 | 178.5 | -177.7 | -96.3 | 0 | 0 | 0 | 111.7 | M81 K82 D87 Q88 T89 | M81-F85 WeakPolarHBondContact O-CB 3.24Å; M81-F85 PolarHBondContact O-N 3.43Å; K82-F85 PolarHBondContact O-N 2.94Å; F85-D87 VanDerWaalsContact C-N 3.35Å; F85-Q88 PolarHBondContact O-N 3.3Å; F85-T89 HydrophobicContact CD1-CG2 4.36Å; F85-T89 HydrophobicContact CD2-CG2 4.28Å; F85-T89 HydrophobicContact CE1-CG2 4.03Å; F85-T89 HydrophobicContact CE2-CG2 3.94Å; F85-T89 HydrophobicContact CG-CG2 4.49Å; F85-T89 HydrophobicContact CZ-CG2 3.81Å; F85-T89 WeakPolarHBondContact O-CB 3.45Å; F85-T89 VanDerWaalsContact O-CG2 3.28Å; F85-T89 WeakPolarHBondContact O-CG2 3.26Å; F85-T89 PolarHBondContact O-N 2.99Å; F85-T89 PolarHBondContact O-OG1 3.39Å |
| 86 | L | 94 | Very high | 91 | Very high | 46 Ų | 46 | 46.6 Ų | 46.6 | 24% | 0.241 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.2 | -37.7 | 178.7 | -170.4 | 60.9 | 0 | 0 | 0 | 112 | W64 F67 L68 F72 K82 K83 L84 T89 T90 | W64-L86 HydrophobicContact CH2-CD2 4.35Å; W64-L86 HydrophobicContact CH2-CG 4.09Å; W64-L86 HydrophobicContact CZ2-CD2 4.45Å; W64-L86 HydrophobicContact CZ2-CG 3.98Å; F67-L86 HydrophobicContact CE1-CD2 4.17Å; L68-L86 HydrophobicContact CD2-CB 4.23Å; L68-L86 HydrophobicContact CD2-CD2 3.69Å; L68-L86 HydrophobicContact CD2-CG 4.21Å; F72-L86 HydrophobicContact CE2-CD2 3.9Å; K82-L86 WeakPolarHBondContact O-CB 3.47Å; K82-L86 PolarHBondContact O-N 3.27Å; K83-L86 PolarHBondContact O-N 3.41Å; L84-L86 VanDerWaalsContact C-N 3.34Å; L84-L86 PolarHBondContact O-N 2.93Å; L86-T89 PolarHBondContact O-OG1 2.87Å; L86-T90 WeakPolarHBondContact CD1-OG1 3.46Å; L86-T90 VanDerWaalsContact O-CB 3.24Å; L86-T90 WeakPolarHBondContact O-CB 3.4Å; L86-T90 PolarHBondContact O-N 3.39Å; L86-T90 PolarHBondContact O-OG1 2.77Å |
| 87 | D | 91.5 | Very high | 91 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 4% | 0.043 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -62.6 | -47.7 | 176.8 | -169 | 74.5 | 0 | 0 | 0 | 111.5 | W64 L68 K83 L84 F85 A91 A92 Q135 F139 | W64-D87 VanDerWaalsContact CD1-OD1 3.27Å; W64-D87 PolarHBondContact NE1-OD1 2.84Å; L68-D87 HydrophobicContact CD1-CB 4.31Å; K83-D87 WeakPolarHBondContact O-CB 3.2Å; K83-D87 PolarHBondContact O-N 3.23Å; L84-D87 WeakPolarHBondContact O-CB 3.14Å; L84-D87 PolarHBondContact O-N 3.07Å; F85-D87 VanDerWaalsContact C-N 3.35Å; D87-A91 CarbonylContact O-C 3.56Å; D87-A91 WeakPolarHBondContact O-CA 3.05Å; D87-A91 WeakPolarHBondContact O-CB 3.35Å; D87-A91 PolarHBondContact O-N 3.11Å; D87-A92 PolarHBondContact O-N 3.5Å; D87-Q135 VanDerWaalsContact CG-NE2 3.32Å; D87-Q135 PolarHBondContact OD1-NE2 3.32Å; D87-Q135 WeakPolarHBondContact OD2-CG 3.27Å; D87-Q135 PolarHBondContact OD2-NE2 3.14Å; D87-F139 HydrophobicContact CB-CE2 4.33Å; D87-F139 HydrophobicContact CB-CZ 4.35Å |
| 88 | Q | 91.4 | Very high | 91.2 | Very high | 15 Ų | 15 | 42.5 Ų | 42.5 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -72.7 | -33.2 | -179 | -62 | -56.3 | -68.1 | 0 | 0 | 113 | L84 F85 P93 Y124 L128 P132 | L84-Q88 HydrophobicContact CD1-CG 4.32Å; L84-Q88 HydrophobicContact CG-CG 4.43Å; L84-Q88 VanDerWaalsContact O-CG 3.28Å; L84-Q88 WeakPolarHBondContact O-CG 3.39Å; L84-Q88 PolarHBondContact O-N 3Å; F85-Q88 PolarHBondContact O-N 3.3Å; Q88-P93 VanDerWaalsContact O-CD 3.26Å; Q88-P93 WeakPolarHBondContact O-CD 3.21Å; Q88-Y124 PolarHBondContact O-OH 3.01Å; Q88-Y124 VanDerWaalsContact O-OH 3.08Å; Q88-L128 HydrophobicContact CB-CD2 4.19Å; Q88-P132 HydrophobicContact CG-CB 4.4Å; Q88-P132 HydrophobicContact CG-CG 3.96Å |
| 89 | T | 91 | Very high | 91 | Very high | 60 Ų | 60 | 42.9 Ų | 42.9 | 37% | 0.368 | 23% | 0.227 | S | C | . | . | I | π-helix | trans | -86.2 | -23.3 | -178.8 | 55.1 | 0 | 0 | 0 | 0 | 114.1 | F85 L86 P93 | F85-T89 HydrophobicContact CD1-CG2 4.36Å; F85-T89 HydrophobicContact CD2-CG2 4.28Å; F85-T89 HydrophobicContact CE1-CG2 4.03Å; F85-T89 HydrophobicContact CE2-CG2 3.94Å; F85-T89 HydrophobicContact CG-CG2 4.49Å; F85-T89 HydrophobicContact CZ-CG2 3.81Å; F85-T89 WeakPolarHBondContact O-CB 3.45Å; F85-T89 VanDerWaalsContact O-CG2 3.28Å; F85-T89 WeakPolarHBondContact O-CG2 3.26Å; F85-T89 PolarHBondContact O-N 2.99Å; F85-T89 PolarHBondContact O-OG1 3.39Å; L86-T89 PolarHBondContact O-OG1 2.87Å; T89-P93 WeakPolarHBondContact O-CG 3.43Å |
| 90 | T | 91.8 | Very high | 90.7 | Very high | 60 Ų | 60 | 42.2 Ų | 42.2 | 37% | 0.368 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -118.5 | -56.3 | -175.4 | -53.2 | 0 | 0 | 0 | 0 | 112.1 | W64 L86 P93 L94 | W64-T90 HydrophobicContact CH2-CG2 3.8Å; W64-T90 HydrophobicContact CZ3-CG2 4.44Å; L86-T90 WeakPolarHBondContact CD1-OG1 3.46Å; L86-T90 VanDerWaalsContact O-CB 3.24Å; L86-T90 WeakPolarHBondContact O-CB 3.4Å; L86-T90 PolarHBondContact O-N 3.39Å; L86-T90 PolarHBondContact O-OG1 2.77Å; T90-P93 WeakPolarHBondContact O-CD 3.32Å; T90-P93 WeakPolarHBondContact O-CG 3.47Å; T90-L94 WeakPolarHBondContact O-CB 3.48Å; T90-L94 PolarHBondContact O-N 2.97Å |
| 91 | A | 90.1 | Very high | 90.6 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 5% | 0.05 | 23% | 0.233 | C | C | . | . | I | π-helix | trans | -73.1 | -43.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F60 W64 D87 L94 A95 | F60-A91 HydrophobicContact CE1-CB 3.78Å; F60-A91 HydrophobicContact CZ-CB 3.88Å; W64-A91 HydrophobicContact CD2-CB 4.03Å; W64-A91 VanDerWaalsContact CE2-CB 3.45Å; W64-A91 HydrophobicContact CG-CB 4.24Å; W64-A91 HydrophobicContact CZ2-CB 3.8Å; W64-A91 VanDerWaalsContact NE1-CB 3.27Å; D87-A91 CarbonylContact O-C 3.56Å; D87-A91 WeakPolarHBondContact O-CA 3.05Å; D87-A91 WeakPolarHBondContact O-CB 3.35Å; D87-A91 PolarHBondContact O-N 3.11Å; A91-L94 PolarHBondContact O-N 3.1Å; A91-A95 WeakPolarHBondContact O-CB 3.46Å; A91-A95 PolarHBondContact O-N 3.16Å |
| 92 | A | 88.4 | Confident | 90.4 | Very high | 18 Ų | 18 | 39.6 Ų | 39.6 | 15% | 0.149 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.1 | -52 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | D87 L94 A95 T96 Y124 | D87-A92 PolarHBondContact O-N 3.5Å; A92-L94 PolarHBondContact O-N 3.44Å; A92-A95 PolarHBondContact O-N 2.87Å; A92-T96 WeakPolarHBondContact O-CB 3.34Å; A92-T96 PolarHBondContact O-N 3.24Å; A92-T96 PolarHBondContact O-OG1 2.99Å; A92-Y124 HydrophobicContact CB-CE2 4.17Å |
| 93 | P | 90.8 | Very high | 90.1 | Very high | 25 Ų | 25 | 35 Ų | 35 | 16% | 0.162 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67 | -36.4 | 179 | 24.7 | -32.8 | 0 | 0 | 0 | 112.2 | Q88 T89 T90 S97 F120 Y124 | Q88-P93 VanDerWaalsContact O-CD 3.26Å; Q88-P93 WeakPolarHBondContact O-CD 3.21Å; T89-P93 WeakPolarHBondContact O-CG 3.43Å; T90-P93 WeakPolarHBondContact O-CD 3.32Å; T90-P93 WeakPolarHBondContact O-CG 3.47Å; P93-S97 VanDerWaalsContact O-CB 3.27Å; P93-S97 WeakPolarHBondContact O-CB 3.31Å; P93-S97 PolarHBondContact O-N 2.97Å; P93-S97 PolarHBondContact O-OG 3.49Å; P93-F120 HydrophobicContact CB-CE2 4.28Å; P93-F120 HydrophobicContact CB-CZ 3.84Å; P93-Y124 HydrophobicContact CB-CE2 4.28Å; P93-Y124 HydrophobicContact CG-CE2 4.49Å |
| 94 | L | 92.6 | Very high | 89.7 | Confident | 74 Ų | 74 | 35 Ų | 35 | 39% | 0.387 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -64.9 | -49.3 | 176.3 | -179.1 | 63.5 | 0 | 0 | 0 | 111.6 | F60 T90 A91 A92 T96 S97 V98 | F60-L94 HydrophobicContact CE2-CD2 3.71Å; F60-L94 HydrophobicContact CZ-CD2 3.78Å; T90-L94 WeakPolarHBondContact O-CB 3.48Å; T90-L94 PolarHBondContact O-N 2.97Å; A91-L94 PolarHBondContact O-N 3.1Å; A92-L94 PolarHBondContact O-N 3.44Å; L94-T96 VanDerWaalsContact C-N 3.33Å; L94-T96 PolarHBondContact O-N 3.09Å; L94-S97 PolarHBondContact O-N 3.4Å; L94-V98 HydrophobicContact CD1-CG2 4.25Å; L94-V98 WeakPolarHBondContact O-CG2 3.34Å; L94-V98 PolarHBondContact O-N 2.79Å |
| 95 | A | 88.8 | Confident | 89.6 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 18% | 0.182 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.9 | -42.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | H57 A91 A92 S97 F99 | H57-A95 PolarHBondContact NE2-O 2.84Å; A91-A95 WeakPolarHBondContact O-CB 3.46Å; A91-A95 PolarHBondContact O-N 3.16Å; A92-A95 PolarHBondContact O-N 2.87Å; A95-S97 VanDerWaalsContact C-N 3.35Å; A95-F99 WeakPolarHBondContact O-CB 3.25Å; A95-F99 PolarHBondContact O-N 3.42Å |
| 96 | T | 86.2 | Confident | 89.2 | Confident | 26 Ų | 26 | 36.3 Ų | 36.3 | 16% | 0.16 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.9 | -41 | 176.7 | -53.2 | 0 | 0 | 0 | 0 | 111 | A92 L94 F99 Y100 F120 T123 | A92-T96 WeakPolarHBondContact O-CB 3.34Å; A92-T96 PolarHBondContact O-N 3.24Å; A92-T96 PolarHBondContact O-OG1 2.99Å; L94-T96 VanDerWaalsContact C-N 3.33Å; L94-T96 PolarHBondContact O-N 3.09Å; T96-F99 WeakPolarHBondContact O-CB 3.25Å; T96-F99 PolarHBondContact O-N 2.93Å; T96-Y100 HydrophobicContact CG2-CD2 3.92Å; T96-Y100 HydrophobicContact CG2-CE2 3.65Å; T96-Y100 VanDerWaalsContact O-CD2 3.25Å; T96-Y100 WeakPolarHBondContact O-CD2 3.42Å; T96-Y100 PolarHBondContact O-N 2.87Å; T96-F120 HydrophobicContact CG2-CD2 3.75Å; T96-F120 HydrophobicContact CG2-CE2 4.08Å; T96-T123 HydrophobicContact CG2-CG2 4.07Å |
| 97 | S | 89.9 | Confident | 88.7 | Confident | 27 Ų | 27 | 36.4 Ų | 36.4 | 19% | 0.189 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64 | -49.6 | 178.4 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | P93 L94 A95 F99 Y100 T101 W116 F120 | P93-S97 VanDerWaalsContact O-CB 3.27Å; P93-S97 WeakPolarHBondContact O-CB 3.31Å; P93-S97 PolarHBondContact O-N 2.97Å; P93-S97 PolarHBondContact O-OG 3.49Å; L94-S97 PolarHBondContact O-N 3.4Å; A95-S97 VanDerWaalsContact C-N 3.35Å; S97-F99 PolarHBondContact O-N 3.25Å; S97-Y100 PolarHBondContact O-N 3.42Å; S97-T101 WeakPolarHBondContact O-CG2 3.45Å; S97-T101 PolarHBondContact O-N 3.08Å; S97-T101 PolarHBondContact O-OG1 3Å; S97-W116 PolarHBondContact OG-NE1 3.49Å; S97-F120 WeakPolarHBondContact OG-CE2 3.46Å |
| 98 | V | 90.8 | Very high | 88.4 | Confident | 34 Ų | 34 | 39 Ų | 39 | 21% | 0.206 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.3 | -30 | 178.6 | 177.3 | 0 | 0 | 0 | 0 | 112 | F56 L94 G102 | F56-V98 HydrophobicContact CB-CG1 4.32Å; F56-V98 HydrophobicContact CD1-CB 3.86Å; F56-V98 HydrophobicContact CD1-CG1 3.33Å; F56-V98 HydrophobicContact CD1-CG2 4.27Å; F56-V98 HydrophobicContact CD2-CG1 4.38Å; F56-V98 HydrophobicContact CE1-CB 3.67Å; F56-V98 HydrophobicContact CE1-CG1 3.64Å; F56-V98 HydrophobicContact CE1-CG2 3.68Å; F56-V98 HydrophobicContact CG-CG1 3.76Å; F56-V98 HydrophobicContact CZ-CB 4.33Å; F56-V98 HydrophobicContact CZ-CG1 4.29Å; F56-V98 HydrophobicContact CZ-CG2 3.84Å; L94-V98 HydrophobicContact CD1-CG2 4.25Å; L94-V98 WeakPolarHBondContact O-CG2 3.34Å; L94-V98 PolarHBondContact O-N 2.79Å; V98-G102 VanDerWaalsContact O-CA 3.26Å; V98-G102 WeakPolarHBondContact O-CA 3.46Å; V98-G102 PolarHBondContact O-N 3.24Å |
| 99 | F | 87.2 | Confident | 88.1 | Confident | 50 Ų | 50 | 41.4 Ų | 41.4 | 22% | 0.219 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.5 | -56.3 | 173.6 | -178.5 | -104.9 | 0 | 0 | 0 | 111.3 | F25 V49 V52 H57 A95 T96 S97 V103 | F25-F99 HydrophobicContact CE1-CD2 4.07Å; F25-F99 AromaticContact CE1-CE2 3.68Å; F25-F99 HydrophobicContact CE1-CE2 3.68Å; F25-F99 HydrophobicContact CZ-CD2 4.25Å; F25-F99 HydrophobicContact CZ-CE2 4.12Å; V49-F99 HydrophobicContact CG1-CE2 4.33Å; V49-F99 HydrophobicContact CG2-CE2 4.23Å; V49-F99 HydrophobicContact CG2-CZ 4.3Å; V52-F99 HydrophobicContact CG1-CD2 4.42Å; H57-F99 AromaticContact CE1-CD2 3.89Å; A95-F99 WeakPolarHBondContact O-CB 3.25Å; A95-F99 PolarHBondContact O-N 3.42Å; T96-F99 WeakPolarHBondContact O-CB 3.25Å; T96-F99 PolarHBondContact O-N 2.93Å; S97-F99 PolarHBondContact O-N 3.25Å; F99-V103 HydrophobicContact CD2-CG2 4.23Å; F99-V103 HydrophobicContact CE2-CG2 3.92Å; F99-V103 HydrophobicContact CZ-CG2 4.16Å; F99-V103 WeakPolarHBondContact O-CB 3.44Å; F99-V103 VanDerWaalsContact O-CG2 3.24Å; F99-V103 WeakPolarHBondContact O-CG2 3.49Å; F99-V103 PolarHBondContact O-N 3.33Å |
| 100 | Y | 84.6 | Confident | 87.9 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 12% | 0.122 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.7 | -48.6 | -178.6 | -74.5 | -63.7 | 0 | 0 | 0 | 112 | T96 S97 G102 S104 D115 K119 T123 | T96-Y100 HydrophobicContact CG2-CD2 3.92Å; T96-Y100 HydrophobicContact CG2-CE2 3.65Å; T96-Y100 VanDerWaalsContact O-CD2 3.25Å; T96-Y100 WeakPolarHBondContact O-CD2 3.42Å; T96-Y100 PolarHBondContact O-N 2.87Å; S97-Y100 PolarHBondContact O-N 3.42Å; Y100-G102 PolarHBondContact O-N 3.3Å; Y100-S104 WeakPolarHBondContact O-CB 3.45Å; Y100-S104 PolarHBondContact O-N 3.27Å; Y100-S104 PolarHBondContact O-OG 3.42Å; Y100-D115 HydrophobicContact CD1-CB 4.15Å; Y100-K119 HydrophobicContact CE1-CB 3.88Å; Y100-K119 HydrophobicContact CE1-CD 4.03Å; Y100-K119 HydrophobicContact CE2-CB 4.34Å; Y100-T123 HydrophobicContact CE2-CG2 4.29Å; Y100-T123 PolarHBondContact OH-OG1 2.91Å |
| 101 | T | 89.4 | Confident | 87.8 | Confident | 38 Ų | 38 | 49.1 Ų | 49.1 | 23% | 0.233 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -68.9 | -37.1 | -178.7 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | S97 F105 I112 L113 W116 | S97-T101 WeakPolarHBondContact O-CG2 3.45Å; S97-T101 PolarHBondContact O-N 3.08Å; S97-T101 PolarHBondContact O-OG1 3Å; T101-F105 WeakPolarHBondContact O-CB 3.19Å; T101-F105 PolarHBondContact O-N 3.34Å; T101-I112 HydrophobicContact CG2-CG2 4.33Å; T101-I112 VanDerWaalsContact O-CG2 3.29Å; T101-I112 WeakPolarHBondContact O-CG2 3.48Å; T101-L113 HydrophobicContact CG2-CD2 3.76Å; T101-W116 HydrophobicContact CG2-CB 4.43Å |
| 102 | G | 87.5 | Confident | 87.8 | Confident | 16 Ų | 16 | 51.6 Ų | 51.6 | 17% | 0.165 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V98 Y100 L106 | V98-G102 VanDerWaalsContact O-CA 3.26Å; V98-G102 WeakPolarHBondContact O-CA 3.46Å; V98-G102 PolarHBondContact O-N 3.24Å; Y100-G102 PolarHBondContact O-N 3.3Å; G102-L106 VanDerWaalsContact O-CG 3.28Å; G102-L106 WeakPolarHBondContact O-CG 3.46Å; G102-L106 PolarHBondContact O-N 3.49Å; G102-L106 VanDerWaalsContact O-N 3.09Å |
| 103 | V | 85.8 | Confident | 87.8 | Confident | 14 Ų | 14 | 54.2 Ų | 54.2 | 9% | 0.085 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.8 | -49 | 175.3 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | V49 V52 F99 F105 L106 E107 | V49-V103 HydrophobicContact CG2-CG2 4.32Å; V52-V103 HydrophobicContact CG2-CG2 4.2Å; F99-V103 HydrophobicContact CD2-CG2 4.23Å; F99-V103 HydrophobicContact CE2-CG2 3.92Å; F99-V103 HydrophobicContact CZ-CG2 4.16Å; F99-V103 WeakPolarHBondContact O-CB 3.44Å; F99-V103 VanDerWaalsContact O-CG2 3.24Å; F99-V103 WeakPolarHBondContact O-CG2 3.49Å; F99-V103 PolarHBondContact O-N 3.33Å; V103-F105 VanDerWaalsContact C-N 3.29Å; V103-F105 PolarHBondContact O-N 2.96Å; V103-L106 PolarHBondContact O-N 3.36Å; V103-L106 VanDerWaalsContact O-N 3.11Å; V103-E107 HydrophobicContact CG1-CG 4.31Å; V103-E107 WeakPolarHBondContact CG1-OE1 3.49Å; V103-E107 WeakPolarHBondContact O-CG 3.46Å; V103-E107 PolarHBondContact O-N 3.42Å |
| 104 | S | 85.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.2 | -39.7 | 177.8 | -65.4 | 0 | 0 | 0 | 0 | 112.9 | Y100 E107 G108 K109 I112 D115 | Y100-S104 WeakPolarHBondContact O-CB 3.45Å; Y100-S104 PolarHBondContact O-N 3.27Å; Y100-S104 PolarHBondContact O-OG 3.42Å; S104-E107 PolarHBondContact O-N 2.89Å; S104-G108 PolarHBondContact O-N 3.44Å; S104-G108 VanDerWaalsContact O-N 3.13Å; S104-K109 PolarHBondContact O-N 2.81Å; S104-K109 VanDerWaalsContact O-N 3.16Å; S104-I112 WeakPolarHBondContact CB-O 3.36Å; S104-I112 PolarHBondContact OG-O 3.15Å; S104-D115 PolarHBondContact OG-OD2 2.83Å |
| 105 | F | 89.6 | Confident | 86.9 | Confident | 139 Ų | 139 | 54.6 Ų | 54.6 | 61% | 0.61 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63.3 | -45.5 | 175.1 | 176.6 | -101.6 | 0 | 0 | 0 | 112 | T101 V103 E107 G108 I112 | T101-F105 WeakPolarHBondContact O-CB 3.19Å; T101-F105 PolarHBondContact O-N 3.34Å; V103-F105 VanDerWaalsContact C-N 3.29Å; V103-F105 PolarHBondContact O-N 2.96Å; F105-E107 VanDerWaalsContact C-N 3.27Å; F105-E107 PolarHBondContact O-N 3.22Å; F105-G108 PolarHBondContact O-N 3.26Å; F105-G108 VanDerWaalsContact O-N 3.12Å; F105-I112 HydrophobicContact CB-CD1 4.39Å; F105-I112 HydrophobicContact CB-CG2 4.42Å; F105-I112 HydrophobicContact CD2-CD1 3.87Å |
| 106 | L | 86.1 | Confident | 86.8 | Confident | 54 Ų | 54 | 57.3 Ų | 57.3 | 28% | 0.283 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -70.9 | -22.9 | 177.9 | -68.5 | 173.9 | 0 | 0 | 0 | 113.3 | N48 V51 V52 G102 V103 G108 | N48-L106 HydrophobicContact CB-CB 3.99Å; N48-L106 HydrophobicContact CB-CD1 4.1Å; N48-L106 PolarHBondContact ND2-O 3.22Å; V51-L106 HydrophobicContact CB-CD1 3.93Å; V51-L106 HydrophobicContact CG1-CD1 3.75Å; V51-L106 HydrophobicContact CG1-CD2 4.48Å; V52-L106 HydrophobicContact CG2-CD1 3.83Å; G102-L106 VanDerWaalsContact O-CG 3.28Å; G102-L106 WeakPolarHBondContact O-CG 3.46Å; G102-L106 PolarHBondContact O-N 3.49Å; G102-L106 VanDerWaalsContact O-N 3.09Å; V103-L106 PolarHBondContact O-N 3.36Å; V103-L106 VanDerWaalsContact O-N 3.11Å; L106-G108 VanDerWaalsContact C-N 3.3Å |
| 107 | E | 83.8 | Confident | 86.8 | Confident | 48 Ų | 48 | 64.2 Ų | 64.2 | 22% | 0.224 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -76.7 | -20.5 | 171.7 | -74.3 | 178.8 | 174.1 | 0 | 0 | 112.4 | R44 N48 V103 S104 F105 K109 | R44-E107 PolarHBondContact NH1-O 2.82Å; R44-E107 PolarHBondContact NH2-O 3.44Å; N48-E107 WeakPolarHBondContact ND2-CG 3.39Å; V103-E107 HydrophobicContact CG1-CG 4.31Å; V103-E107 WeakPolarHBondContact CG1-OE1 3.49Å; V103-E107 WeakPolarHBondContact O-CG 3.46Å; V103-E107 PolarHBondContact O-N 3.42Å; S104-E107 PolarHBondContact O-N 2.89Å; F105-E107 VanDerWaalsContact C-N 3.27Å; F105-E107 PolarHBondContact O-N 3.22Å; E107-K109 HydrophobicContact CB-CG 4.31Å; E107-K109 WeakPolarHBondContact OE2-CE 3.46Å; E107-K109 IonicContact OE2-NZ 3.21Å |
| 108 | G | 85.6 | Confident | 86.4 | Confident | 61 Ų | 61 | 68.9 Ų | 68.9 | 63% | 0.629 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | 31.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S104 F105 L106 | S104-G108 PolarHBondContact O-N 3.44Å; S104-G108 VanDerWaalsContact O-N 3.13Å; F105-G108 PolarHBondContact O-N 3.26Å; F105-G108 VanDerWaalsContact O-N 3.12Å; L106-G108 VanDerWaalsContact C-N 3.3Å |
| 109 | K | 85.8 | Confident | 86 | Confident | 67 Ų | 67 | 71.3 Ų | 71.3 | 29% | 0.291 | 35% | 0.348 | S | S | . | . | trans | -66.1 | 144.1 | 177 | -67.4 | -170.5 | 174.7 | -178.5 | 0 | 111.2 | S104 E107 D115 | S104-K109 PolarHBondContact O-N 2.81Å; S104-K109 VanDerWaalsContact O-N 3.16Å; E107-K109 HydrophobicContact CB-CG 4.31Å; E107-K109 WeakPolarHBondContact OE2-CE 3.46Å; E107-K109 IonicContact OE2-NZ 3.21Å; K109-D115 VanDerWaalsContact NZ-CG 3.29Å; K109-D115 IonicContact NZ-OD1 3.34Å; K109-D115 PolarHBondContact NZ-OD1 2.9Å; K109-D115 IonicContact NZ-OD2 3.49Å; K109-D115 PolarHBondContact NZ-OD2 3.35Å | ||
| 110 | E | 86.5 | Confident | 85.8 | Confident | 207 Ų | 207 | 70.1 Ų | 70.1 | 97% | 0.967 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -66.7 | -42.9 | 175.4 | -64 | -173.6 | 169.3 | 0 | 0 | 111.3 | ||
| 111 | D | 89.3 | Confident | 85.7 | Confident | 74 Ų | 74 | 73.7 Ų | 73.7 | 40% | 0.396 | 36% | 0.364 | S | S | . | . | trans | -105.2 | 101.9 | 169.5 | -170.7 | -5.3 | 0 | 0 | 0 | 111 | L113 E114 | D111-L113 PolarHBondContact O-N 3.23Å; D111-L113 WeakPolarHBondContact OD1-CA 3.45Å; D111-L113 WeakPolarHBondContact OD1-CB 3.43Å; D111-L113 PolarHBondContact OD1-N 3.4Å; D111-E114 HydrophobicContact CB-CB 4.11Å; D111-E114 PolarHBondContact O-N 2.95Å; D111-E114 PolarHBondContact OD1-N 3.46Å | ||
| 112 | I | 89.4 | Confident | 85.2 | Confident | 59 Ų | 59 | 75.7 Ų | 75.7 | 30% | 0.303 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -25.1 | 178.3 | -60.9 | 167.9 | 0 | 0 | 0 | 111.6 | T101 S104 F105 | T101-I112 HydrophobicContact CG2-CG2 4.33Å; T101-I112 VanDerWaalsContact O-CG2 3.29Å; T101-I112 WeakPolarHBondContact O-CG2 3.48Å; S104-I112 WeakPolarHBondContact CB-O 3.36Å; S104-I112 PolarHBondContact OG-O 3.15Å; F105-I112 HydrophobicContact CB-CD1 4.39Å; F105-I112 HydrophobicContact CB-CG2 4.42Å; F105-I112 HydrophobicContact CD2-CD1 3.87Å |
| 113 | L | 89.1 | Confident | 85 | Confident | 72 Ų | 72 | 76.1 Ų | 76.1 | 38% | 0.377 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -8.9 | -174.2 | -61.8 | -179.3 | 0 | 0 | 0 | 113.6 | T101 D111 W116 R117 | T101-L113 HydrophobicContact CG2-CD2 3.76Å; D111-L113 PolarHBondContact O-N 3.23Å; D111-L113 WeakPolarHBondContact OD1-CA 3.45Å; D111-L113 WeakPolarHBondContact OD1-CB 3.43Å; D111-L113 PolarHBondContact OD1-N 3.4Å; L113-W116 WeakPolarHBondContact O-CB 3.43Å; L113-W116 PolarHBondContact O-N 3.45Å; L113-W116 VanDerWaalsContact O-N 3.15Å; L113-R117 WeakPolarHBondContact O-CG 3.29Å; L113-R117 PolarHBondContact O-N 3.25Å |
| 114 | E | 85.9 | Confident | 84.8 | Confident | 91 Ų | 91 | 78 Ų | 78 | 43% | 0.425 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -53.6 | -58.9 | -179.1 | -176.2 | 179.4 | -157.2 | 0 | 0 | 111.2 | D111 W116 R117 E118 | D111-E114 HydrophobicContact CB-CB 4.11Å; D111-E114 PolarHBondContact O-N 2.95Å; D111-E114 PolarHBondContact OD1-N 3.46Å; E114-W116 PolarHBondContact O-N 2.92Å; E114-R117 PolarHBondContact O-N 3.32Å; E114-R117 VanDerWaalsContact O-N 3.1Å; E114-E118 WeakPolarHBondContact O-CG 3.2Å; E114-E118 PolarHBondContact O-N 3.24Å; E114-E118 VanDerWaalsContact O-N 3.09Å |
| 115 | D | 78.6 | Confident | 84.7 | Confident | 17 Ų | 17 | 84.7 Ų | 84.7 | 9% | 0.091 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.6 | -35.9 | 177.6 | -83.4 | -29.1 | 0 | 0 | 0 | 112.8 | Y100 S104 K109 K119 | Y100-D115 HydrophobicContact CD1-CB 4.15Å; S104-D115 PolarHBondContact OG-OD2 2.83Å; K109-D115 VanDerWaalsContact NZ-CG 3.29Å; K109-D115 IonicContact NZ-OD1 3.34Å; K109-D115 PolarHBondContact NZ-OD1 2.9Å; K109-D115 IonicContact NZ-OD2 3.49Å; K109-D115 PolarHBondContact NZ-OD2 3.35Å; D115-K119 VanDerWaalsContact O-CB 3.26Å; D115-K119 WeakPolarHBondContact O-CB 3.21Å; D115-K119 PolarHBondContact O-N 3.26Å; D115-K119 IonicContact OD1-NZ 2.72Å; D115-K119 PolarHBondContact OD1-NZ 3.06Å |
| 116 | W | 86.9 | Confident | 84.3 | Confident | 79 Ų | 79 | 78.1 Ų | 78.1 | 30% | 0.299 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.4 | -48.2 | 177.4 | 179.8 | 87.9 | 0 | 0 | 0 | 110.4 | S97 T101 L113 E114 E118 F120 | S97-W116 PolarHBondContact OG-NE1 3.49Å; T101-W116 HydrophobicContact CG2-CB 4.43Å; L113-W116 WeakPolarHBondContact O-CB 3.43Å; L113-W116 PolarHBondContact O-N 3.45Å; L113-W116 VanDerWaalsContact O-N 3.15Å; E114-W116 PolarHBondContact O-N 2.92Å; W116-E118 VanDerWaalsContact C-N 3.3Å; W116-E118 PolarHBondContact O-N 3.47Å; W116-F120 AromaticContact CD1-CD2 3.83Å; W116-F120 HydrophobicContact CD2-CB 4.37Å; W116-F120 AromaticContact CE2-CG 3.98Å; W116-F120 HydrophobicContact CG-CB 4.26Å; W116-F120 HydrophobicContact CZ2-CD1 4.35Å; W116-F120 HydrophobicContact CZ2-CG 4.36Å; W116-F120 AromaticContact NE1-CD2 3.33Å; W116-F120 VanDerWaalsContact NE1-CD2 3.33Å; W116-F120 AromaticContact NE1-CE2 3.87Å; W116-F120 AromaticContact NE1-CG 3.69Å; W116-F120 WeakPolarHBondContact O-CA 3.37Å; W116-F120 WeakPolarHBondContact O-CB 3.5Å; W116-F120 PolarHBondContact O-N 3.2Å |
| 117 | R | 85.7 | Confident | 84.2 | Confident | 170 Ų | 170 | 75.8 Ų | 75.8 | 64% | 0.642 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.3 | -39.7 | -179.6 | -71.2 | 173.6 | -176.8 | -93.9 | 0.3 | 112.1 | L113 E114 | L113-R117 WeakPolarHBondContact O-CG 3.29Å; L113-R117 PolarHBondContact O-N 3.25Å; E114-R117 PolarHBondContact O-N 3.32Å; E114-R117 VanDerWaalsContact O-N 3.1Å |
| 118 | E | 82.1 | Confident | 84.3 | Confident | 126 Ų | 126 | 76.9 Ų | 76.9 | 59% | 0.589 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -78 | -45.1 | -177.2 | -66.9 | -174.4 | 164.1 | 0 | 0 | 112.9 | E114 W116 | E114-E118 WeakPolarHBondContact O-CG 3.2Å; E114-E118 PolarHBondContact O-N 3.24Å; E114-E118 VanDerWaalsContact O-N 3.09Å; W116-E118 VanDerWaalsContact C-N 3.3Å; W116-E118 PolarHBondContact O-N 3.47Å |
| 119 | K | 81.5 | Confident | 84.3 | Confident | 84 Ų | 84 | 77.7 Ų | 77.7 | 37% | 0.365 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -104 | -22.4 | -165.1 | -59.8 | 167.2 | -176.3 | 158.4 | 0 | 113.2 | Y100 D115 L121 N122 T123 | Y100-K119 HydrophobicContact CE1-CB 3.88Å; Y100-K119 HydrophobicContact CE1-CD 4.03Å; Y100-K119 HydrophobicContact CE2-CB 4.34Å; D115-K119 VanDerWaalsContact O-CB 3.26Å; D115-K119 WeakPolarHBondContact O-CB 3.21Å; D115-K119 PolarHBondContact O-N 3.26Å; D115-K119 IonicContact OD1-NZ 2.72Å; D115-K119 PolarHBondContact OD1-NZ 3.06Å; K119-L121 PolarHBondContact O-N 3.03Å; K119-N122 PolarHBondContact O-N 3.02Å; K119-T123 WeakPolarHBondContact O-CB 3.39Å; K119-T123 PolarHBondContact O-N 2.9Å; K119-T123 PolarHBondContact O-OG1 2.84Å; K119-T123 VanDerWaalsContact O-OG1 3.05Å |
| 120 | F | 84.1 | Confident | 84.3 | Confident | 25 Ų | 25 | 74.6 Ų | 74.6 | 11% | 0.11 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -55.9 | -51.3 | -174.4 | 175 | -95.5 | 0 | 0 | 0 | 112.3 | P93 T96 S97 W116 N122 T123 Y124 | P93-F120 HydrophobicContact CB-CE2 4.28Å; P93-F120 HydrophobicContact CB-CZ 3.84Å; T96-F120 HydrophobicContact CG2-CD2 3.75Å; T96-F120 HydrophobicContact CG2-CE2 4.08Å; S97-F120 WeakPolarHBondContact OG-CE2 3.46Å; W116-F120 AromaticContact CD1-CD2 3.83Å; W116-F120 HydrophobicContact CD2-CB 4.37Å; W116-F120 AromaticContact CE2-CG 3.98Å; W116-F120 HydrophobicContact CG-CB 4.26Å; W116-F120 HydrophobicContact CZ2-CD1 4.35Å; W116-F120 HydrophobicContact CZ2-CG 4.36Å; W116-F120 AromaticContact NE1-CD2 3.33Å; W116-F120 VanDerWaalsContact NE1-CD2 3.33Å; W116-F120 AromaticContact NE1-CE2 3.87Å; W116-F120 AromaticContact NE1-CG 3.69Å; W116-F120 WeakPolarHBondContact O-CA 3.37Å; W116-F120 WeakPolarHBondContact O-CB 3.5Å; W116-F120 PolarHBondContact O-N 3.2Å; F120-N122 PolarHBondContact O-N 3.31Å; F120-T123 PolarHBondContact O-N 3.12Å; F120-Y124 WeakPolarHBondContact O-CB 3.49Å; F120-Y124 PolarHBondContact O-N 3.49Å |
| 121 | L | 82.4 | Confident | 84.3 | Confident | 107 Ų | 107 | 67 Ų | 67 | 56% | 0.56 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65.1 | -39.8 | -176 | -72.3 | -179.8 | 0 | 0 | 0 | 112.3 | K119 K125 | K119-L121 PolarHBondContact O-N 3.03Å; L121-K125 WeakPolarHBondContact O-CB 3.42Å; L121-K125 VanDerWaalsContact O-CG 3.27Å; L121-K125 WeakPolarHBondContact O-CG 3.38Å; L121-K125 PolarHBondContact O-N 3.06Å |
| 122 | N | 78.8 | Confident | 84.3 | Confident | 79 Ų | 79 | 64.9 Ų | 64.9 | 42% | 0.422 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.8 | -51.2 | 177.9 | -170.8 | 48.7 | 0 | 0 | 0 | 110.4 | K119 F120 Y124 K125 T126 T172 | K119-N122 PolarHBondContact O-N 3.02Å; F120-N122 PolarHBondContact O-N 3.31Å; N122-Y124 VanDerWaalsContact C-N 3.33Å; N122-Y124 PolarHBondContact O-N 2.69Å; N122-K125 PolarHBondContact O-N 3.41Å; N122-T126 PolarHBondContact O-N 2.97Å; N122-T126 PolarHBondContact O-OG1 3.48Å; N122-T172 PolarHBondContact ND2-OG1 3.43Å; N122-T172 VanDerWaalsContact ND2-OG1 3.17Å |
| 123 | T | 81.8 | Confident | 84.4 | Confident | 25 Ų | 25 | 67.9 Ų | 67.9 | 15% | 0.153 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 179.5 | -61 | 0 | 0 | 0 | 0 | 112.4 | T96 Y100 K119 F120 G127 | T96-T123 HydrophobicContact CG2-CG2 4.07Å; Y100-T123 HydrophobicContact CE2-CG2 4.29Å; Y100-T123 PolarHBondContact OH-OG1 2.91Å; K119-T123 WeakPolarHBondContact O-CB 3.39Å; K119-T123 PolarHBondContact O-N 2.9Å; K119-T123 PolarHBondContact O-OG1 2.84Å; K119-T123 VanDerWaalsContact O-OG1 3.05Å; F120-T123 PolarHBondContact O-N 3.12Å; T123-G127 WeakPolarHBondContact O-CA 3.36Å; T123-G127 PolarHBondContact O-N 3.08Å |
| 124 | Y | 82.6 | Confident | 84.6 | Confident | 54 Ų | 54 | 66.1 Ų | 66.1 | 21% | 0.212 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.1 | -44.3 | 177.5 | -177.1 | -111 | 0 | 0 | 0 | 111.6 | Q88 A92 P93 F120 N122 G127 L128 | Q88-Y124 PolarHBondContact O-OH 3.01Å; Q88-Y124 VanDerWaalsContact O-OH 3.08Å; A92-Y124 HydrophobicContact CB-CE2 4.17Å; P93-Y124 HydrophobicContact CB-CE2 4.28Å; P93-Y124 HydrophobicContact CG-CE2 4.49Å; F120-Y124 WeakPolarHBondContact O-CB 3.49Å; F120-Y124 PolarHBondContact O-N 3.49Å; N122-Y124 VanDerWaalsContact C-N 3.33Å; N122-Y124 PolarHBondContact O-N 2.69Å; Y124-G127 CarbonylContact O-C 3.59Å; Y124-G127 PolarHBondContact O-N 2.9Å; Y124-L128 HydrophobicContact CD1-CD1 4.06Å; Y124-L128 HydrophobicContact CE1-CD1 3.6Å; Y124-L128 HydrophobicContact CE1-CG 4.18Å; Y124-L128 HydrophobicContact CE2-CD2 4.32Å; Y124-L128 HydrophobicContact CE2-CG 4.36Å; Y124-L128 WeakPolarHBondContact O-CG 3.37Å; Y124-L128 PolarHBondContact O-N 3.23Å |
| 125 | K | 82.8 | Confident | 84.8 | Confident | 140 Ų | 140 | 62 Ų | 62 | 61% | 0.609 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -61.9 | -48.8 | 177.4 | -78.4 | 177.9 | 179.5 | -178.5 | 0 | 112.4 | L121 N122 G127 L128 | L121-K125 WeakPolarHBondContact O-CB 3.42Å; L121-K125 VanDerWaalsContact O-CG 3.27Å; L121-K125 WeakPolarHBondContact O-CG 3.38Å; L121-K125 PolarHBondContact O-N 3.06Å; N122-K125 PolarHBondContact O-N 3.41Å; K125-G127 VanDerWaalsContact C-N 3.26Å; K125-G127 PolarHBondContact O-N 3.23Å; K125-L128 PolarHBondContact O-N 3.45Å |
| 126 | T | 82.4 | Confident | 85.5 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.1 | -38.7 | 175.6 | -50.3 | 0 | 0 | 0 | 0 | 110.3 | N122 L128 M129 W158 F161 T172 A176 | N122-T126 PolarHBondContact O-N 2.97Å; N122-T126 PolarHBondContact O-OG1 3.48Å; T126-L128 VanDerWaalsContact C-N 3.29Å; T126-L128 PolarHBondContact O-N 3.01Å; T126-M129 WeakPolarHBondContact O-CB 3.47Å; T126-M129 PolarHBondContact O-N 3.04Å; T126-W158 HydrophobicContact CG2-CH2 3.46Å; T126-W158 VanDerWaalsContact CG2-CH2 3.46Å; T126-W158 HydrophobicContact CG2-CZ2 4.41Å; T126-W158 HydrophobicContact CG2-CZ3 4.06Å; T126-F161 HydrophobicContact CG2-CE1 3.93Å; T126-T172 HydrophobicContact CG2-CG2 3.56Å; T126-T172 WeakPolarHBondContact OG1-CB 3.28Å; T126-T172 WeakPolarHBondContact OG1-CG2 3.26Å; T126-A176 HydrophobicContact CG2-CB 4.13Å |
| 127 | G | 83.1 | Confident | 85.8 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 6% | 0.062 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.6 | -39.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T123 Y124 K125 M129 F130 W131 | T123-G127 WeakPolarHBondContact O-CA 3.36Å; T123-G127 PolarHBondContact O-N 3.08Å; Y124-G127 CarbonylContact O-C 3.59Å; Y124-G127 PolarHBondContact O-N 2.9Å; K125-G127 VanDerWaalsContact C-N 3.26Å; K125-G127 PolarHBondContact O-N 3.23Å; G127-M129 PolarHBondContact O-N 2.81Å; G127-M129 VanDerWaalsContact O-N 3.16Å; G127-F130 PolarHBondContact O-N 3.25Å; G127-F130 VanDerWaalsContact O-N 3.1Å; G127-W131 WeakPolarHBondContact O-CB 3.47Å; G127-W131 PolarHBondContact O-N 3.17Å |
| 128 | L | 85.8 | Confident | 86.1 | Confident | 70 Ų | 70 | 55.7 Ų | 55.7 | 37% | 0.366 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.6 | -14 | 175.6 | -73.7 | 175 | 0 | 0 | 0 | 113.8 | Q88 Y124 K125 T126 P132 | Q88-L128 HydrophobicContact CB-CD2 4.19Å; Y124-L128 HydrophobicContact CD1-CD1 4.06Å; Y124-L128 HydrophobicContact CE1-CD1 3.6Å; Y124-L128 HydrophobicContact CE1-CG 4.18Å; Y124-L128 HydrophobicContact CE2-CD2 4.32Å; Y124-L128 HydrophobicContact CE2-CG 4.36Å; Y124-L128 WeakPolarHBondContact O-CG 3.37Å; Y124-L128 PolarHBondContact O-N 3.23Å; K125-L128 PolarHBondContact O-N 3.45Å; T126-L128 VanDerWaalsContact C-N 3.29Å; T126-L128 PolarHBondContact O-N 3.01Å; L128-P132 WeakPolarHBondContact O-CD 3.32Å; L128-P132 WeakPolarHBondContact O-CG 3.47Å |
| 129 | M | 85.1 | Confident | 86.5 | Confident | 78 Ų | 78 | 49.7 Ų | 49.7 | 38% | 0.384 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -85.6 | -31.9 | 172.9 | -61.1 | -179.8 | 173.5 | 0 | 0 | 111.7 | T126 G127 A173 A176 | T126-M129 WeakPolarHBondContact O-CB 3.47Å; T126-M129 PolarHBondContact O-N 3.04Å; G127-M129 PolarHBondContact O-N 2.81Å; G127-M129 VanDerWaalsContact O-N 3.16Å; M129-A173 HydrophobicContact CE-CB 3.94Å; M129-A173 HydrophobicContact SD-CB 4.18Å; M129-A176 HydrophobicContact SD-CB 4.43Å |
| 130 | F | 86.1 | Confident | 86.9 | Confident | 3 Ų | 3 | 47.1 Ų | 47.1 | 1% | 0.013 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -98.1 | -51.1 | -174.3 | 176 | -97.6 | 0 | 0 | 0 | 113.5 | G127 F133 M134 C154 V157 W158 M180 | G127-F130 PolarHBondContact O-N 3.25Å; G127-F130 VanDerWaalsContact O-N 3.1Å; F130-F133 PolarHBondContact O-N 2.87Å; F130-M134 HydrophobicContact CD1-CG 4.28Å; F130-M134 HydrophobicContact CD2-CE 4.18Å; F130-M134 HydrophobicContact CD2-CG 4.35Å; F130-M134 HydrophobicContact CE1-CG 3.91Å; F130-M134 HydrophobicContact CE2-CE 3.64Å; F130-M134 HydrophobicContact CE2-CG 3.98Å; F130-M134 HydrophobicContact CG-CG 4.49Å; F130-M134 HydrophobicContact CZ-CE 4.17Å; F130-M134 HydrophobicContact CZ-CG 3.75Å; F130-M134 WeakPolarHBondContact O-CG 3.46Å; F130-M134 PolarHBondContact O-N 3.17Å; F130-C154 HydrophobicContact CE1-CB 4.21Å; F130-C154 HydrophobicContact CZ-CB 4.24Å; F130-V157 HydrophobicContact CE2-CG1 4.45Å; F130-V157 HydrophobicContact CZ-CG1 4.47Å; F130-W158 HydrophobicContact CB-CE3 3.75Å; F130-W158 HydrophobicContact CB-CZ3 3.47Å; F130-W158 VanDerWaalsContact CB-CZ3 3.47Å; F130-W158 HydrophobicContact CD1-CB 4.44Å; F130-W158 HydrophobicContact CD1-CD2 4.21Å; F130-W158 AromaticContact CD1-CE3 3.47Å; F130-W158 HydrophobicContact CD1-CE3 3.47Å; F130-W158 VanDerWaalsContact CD1-CE3 3.47Å; F130-W158 HydrophobicContact CD1-CZ3 4.09Å; F130-W158 HydrophobicContact CD2-CE3 4.22Å; F130-W158 HydrophobicContact CE1-CB 3.92Å; F130-W158 HydrophobicContact CE1-CE3 4.07Å; F130-W158 AromaticContact CG-CE3 3.56Å; F130-W158 HydrophobicContact CG-CE3 3.56Å; F130-W158 AromaticContact CG-CZ3 3.85Å; F130-W158 HydrophobicContact CG-CZ3 3.85Å; F130-W158 HydrophobicContact CZ-CB 4.31Å; F130-M180 VanDerWaalsContact CA-CE 3.47Å; F130-M180 HydrophobicContact CB-CE 3.62Å; F130-M180 HydrophobicContact CD2-CE 3.68Å; F130-M180 HydrophobicContact CG-CE 4.14Å |
| 131 | W | 87.9 | Confident | 87.1 | Confident | 46 Ų | 46 | 52.1 Ų | 52.1 | 17% | 0.174 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.5 | -39.1 | -171.2 | -73 | 108 | 0 | 0 | 0 | 113.8 | G127 F133 M134 Q135 T151 C154 A155 W158 | G127-W131 WeakPolarHBondContact O-CB 3.47Å; G127-W131 PolarHBondContact O-N 3.17Å; W131-F133 VanDerWaalsContact C-N 3.3Å; W131-F133 PolarHBondContact O-N 3.37Å; W131-M134 PolarHBondContact O-N 3.4Å; W131-Q135 HydrophobicContact CE3-CG 4.45Å; W131-Q135 VanDerWaalsContact O-CB 3.23Å; W131-Q135 WeakPolarHBondContact O-CB 3.23Å; W131-Q135 VanDerWaalsContact O-CG 3.27Å; W131-Q135 WeakPolarHBondContact O-CG 3.33Å; W131-Q135 PolarHBondContact O-N 3.12Å; W131-T151 HydrophobicContact CH2-CG2 4.2Å; W131-T151 HydrophobicContact CZ3-CG2 3.74Å; W131-C154 HydrophobicContact CH2-CB 4.32Å; W131-C154 HydrophobicContact CZ3-CB 4Å; W131-A155 HydrophobicContact CH2-CB 3.97Å; W131-A155 HydrophobicContact CZ2-CB 4.49Å; W131-W158 HydrophobicContact CZ2-CB 4.38Å; W131-W158 HydrophobicContact CZ2-CG 4.31Å |
| 132 | P | 89.3 | Confident | 87.4 | Confident | 30 Ų | 30 | 48.1 Ų | 48.1 | 20% | 0.195 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.1 | -40.4 | 179.2 | -26.4 | 35.4 | 0 | 0 | 0 | 113 | L84 Q88 L128 F136 | L84-P132 HydrophobicContact CD1-CB 4.41Å; L84-P132 WeakPolarHBondContact CD1-O 3.48Å; L84-P132 HydrophobicContact CD2-CB 4.33Å; Q88-P132 HydrophobicContact CG-CB 4.4Å; Q88-P132 HydrophobicContact CG-CG 3.96Å; L128-P132 WeakPolarHBondContact O-CD 3.32Å; L128-P132 WeakPolarHBondContact O-CG 3.47Å; P132-F136 VanDerWaalsContact O-CB 3.26Å; P132-F136 WeakPolarHBondContact O-CB 3.44Å; P132-F136 PolarHBondContact O-N 3.04Å |
| 133 | F | 90.8 | Very high | 87.9 | Confident | 123 Ų | 123 | 47.2 Ų | 47.2 | 54% | 0.539 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.2 | -47.9 | 178.6 | -179.9 | -100.5 | 0 | 0 | 0 | 111.4 | F130 W131 Q135 F136 L137 | F130-F133 PolarHBondContact O-N 2.87Å; W131-F133 VanDerWaalsContact C-N 3.3Å; W131-F133 PolarHBondContact O-N 3.37Å; F133-Q135 PolarHBondContact O-N 3.33Å; F133-F136 WeakPolarHBondContact O-CB 3.42Å; F133-F136 PolarHBondContact O-N 2.9Å; F133-L137 HydrophobicContact CD1-CD1 4.2Å; F133-L137 HydrophobicContact CE1-CD1 3.63Å; F133-L137 HydrophobicContact CE1-CG 4.48Å; F133-L137 HydrophobicContact CZ-CD1 3.95Å; F133-L137 PolarHBondContact O-N 2.96Å; F133-L137 VanDerWaalsContact O-N 3.16Å |
| 134 | M | 92.3 | Very high | 88.1 | Confident | 35 Ų | 35 | 48.6 Ų | 48.6 | 17% | 0.172 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 179.3 | -64.2 | -56.8 | 164.8 | 0 | 0 | 112.1 | F130 W131 L137 N138 F150 C154 | F130-M134 HydrophobicContact CD1-CG 4.28Å; F130-M134 HydrophobicContact CD2-CE 4.18Å; F130-M134 HydrophobicContact CD2-CG 4.35Å; F130-M134 HydrophobicContact CE1-CG 3.91Å; F130-M134 HydrophobicContact CE2-CE 3.64Å; F130-M134 HydrophobicContact CE2-CG 3.98Å; F130-M134 HydrophobicContact CG-CG 4.49Å; F130-M134 HydrophobicContact CZ-CE 4.17Å; F130-M134 HydrophobicContact CZ-CG 3.75Å; F130-M134 WeakPolarHBondContact O-CG 3.46Å; F130-M134 PolarHBondContact O-N 3.17Å; W131-M134 PolarHBondContact O-N 3.4Å; M134-L137 PolarHBondContact O-N 2.97Å; M134-N138 WeakPolarHBondContact O-CB 3.22Å; M134-N138 PolarHBondContact O-N 3.34Å; M134-F150 WeakPolarHBondContact O-CE1 3.32Å; M134-C154 HydrophobicContact CB-CB 4.43Å; M134-C154 HydrophobicContact CG-CB 4.45Å |
| 135 | Q | 91.7 | Very high | 88.1 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 2% | 0.023 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.8 | -32.3 | 178.9 | -71.6 | -74.1 | 83.4 | 0 | 0 | 112.4 | M65 L84 D87 W131 F133 N138 F139 | M65-Q135 VanDerWaalsContact CE-NE2 3.33Å; L84-Q135 HydrophobicContact CD1-CB 3.58Å; D87-Q135 VanDerWaalsContact CG-NE2 3.32Å; D87-Q135 PolarHBondContact OD1-NE2 3.32Å; D87-Q135 WeakPolarHBondContact OD2-CG 3.27Å; D87-Q135 PolarHBondContact OD2-NE2 3.14Å; W131-Q135 HydrophobicContact CE3-CG 4.45Å; W131-Q135 VanDerWaalsContact O-CB 3.23Å; W131-Q135 WeakPolarHBondContact O-CB 3.23Å; W131-Q135 VanDerWaalsContact O-CG 3.27Å; W131-Q135 WeakPolarHBondContact O-CG 3.33Å; W131-Q135 PolarHBondContact O-N 3.12Å; F133-Q135 PolarHBondContact O-N 3.33Å; Q135-N138 WeakPolarHBondContact O-CB 3.29Å; Q135-N138 PolarHBondContact O-N 3.09Å; Q135-N138 PolarHBondContact OE1-ND2 2.94Å; Q135-F139 HydrophobicContact CB-CE2 4.09Å; Q135-F139 WeakPolarHBondContact O-CD2 3.31Å; Q135-F139 WeakPolarHBondContact O-CG 3.44Å; Q135-F139 PolarHBondContact O-N 3.35Å |
| 136 | F | 92.4 | Very high | 88.3 | Confident | 82 Ų | 82 | 44.5 Ų | 44.5 | 36% | 0.36 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58 | -50 | 169.3 | 178.1 | -92.4 | 0 | 0 | 0 | 111 | V80 M81 L84 P132 F133 N138 F139 A140 | V80-F136 HydrophobicContact CG1-CD2 3.54Å; V80-F136 HydrophobicContact CG1-CE2 3.72Å; V80-F136 HydrophobicContact CG1-CG 4.4Å; M81-F136 HydrophobicContact SD-CD2 4.46Å; L84-F136 HydrophobicContact CD2-CB 4.29Å; P132-F136 VanDerWaalsContact O-CB 3.26Å; P132-F136 WeakPolarHBondContact O-CB 3.44Å; P132-F136 PolarHBondContact O-N 3.04Å; F133-F136 WeakPolarHBondContact O-CB 3.42Å; F133-F136 PolarHBondContact O-N 2.9Å; F136-N138 VanDerWaalsContact C-N 3.31Å; F136-N138 PolarHBondContact O-N 3.33Å; F136-F139 PolarHBondContact O-N 3.23Å; F136-A140 VanDerWaalsContact O-CB 3.26Å; F136-A140 WeakPolarHBondContact O-CB 3.16Å; F136-A140 PolarHBondContact O-N 2.9Å |
| 137 | L | 92.3 | Very high | 88.7 | Confident | 50 Ų | 50 | 44.8 Ų | 44.8 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.7 | -40.6 | 175.6 | -65.9 | 176.8 | 0 | 0 | 0 | 111.9 | F133 M134 A140 L141 F150 | F133-L137 HydrophobicContact CD1-CD1 4.2Å; F133-L137 HydrophobicContact CE1-CD1 3.63Å; F133-L137 HydrophobicContact CE1-CG 4.48Å; F133-L137 HydrophobicContact CZ-CD1 3.95Å; F133-L137 PolarHBondContact O-N 2.96Å; F133-L137 VanDerWaalsContact O-N 3.16Å; M134-L137 PolarHBondContact O-N 2.97Å; L137-A140 PolarHBondContact O-N 3.37Å; L137-L141 HydrophobicContact CD2-CD1 3.95Å; L137-L141 WeakPolarHBondContact O-CB 3.42Å; L137-L141 PolarHBondContact O-N 3.31Å; L137-F150 HydrophobicContact CB-CZ 4.46Å |
| 138 | N | 92.7 | Very high | 89 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.7 | -47.7 | 177.5 | -160.7 | -1.3 | 0 | 0 | 0 | 111.9 | M134 Q135 F136 V142 R147 F150 T151 | M134-N138 WeakPolarHBondContact O-CB 3.22Å; M134-N138 PolarHBondContact O-N 3.34Å; Q135-N138 WeakPolarHBondContact O-CB 3.29Å; Q135-N138 PolarHBondContact O-N 3.09Å; Q135-N138 PolarHBondContact OE1-ND2 2.94Å; F136-N138 VanDerWaalsContact C-N 3.31Å; F136-N138 PolarHBondContact O-N 3.33Å; N138-V142 VanDerWaalsContact O-CB 3.29Å; N138-V142 WeakPolarHBondContact O-CB 3.27Å; N138-V142 PolarHBondContact O-N 2.96Å; N138-V142 WeakPolarHBondContact OD1-CB 3.46Å; N138-R147 PolarHBondContact ND2-O 3.46Å; N138-R147 VanDerWaalsContact ND2-O 3.14Å; N138-R147 PolarHBondContact O-NE 3.21Å; N138-R147 VanDerWaalsContact OD1-CA 3.29Å; N138-R147 WeakPolarHBondContact OD1-CA 3.44Å; N138-R147 WeakPolarHBondContact OD1-CB 3.44Å; N138-R147 WeakPolarHBondContact OD1-CG 3.03Å; N138-F150 HydrophobicContact CB-CD1 3.67Å; N138-F150 HydrophobicContact CB-CE1 3.74Å; N138-F150 VanDerWaalsContact CG-CD1 3.42Å; N138-T151 PolarHBondContact ND2-OG1 3.16Å |
| 139 | F | 90.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -72.5 | -36.2 | 180 | -64.6 | -46.6 | 0 | 0 | 0 | 113 | M65 L68 V80 K83 L84 D87 Q135 F136 R147 | M65-F139 HydrophobicContact CE-CE1 4.35Å; M65-F139 HydrophobicContact CE-CZ 4.32Å; M65-F139 HydrophobicContact SD-CD1 4.49Å; M65-F139 HydrophobicContact SD-CE1 3.53Å; M65-F139 VanDerWaalsContact SD-CE1 3.53Å; M65-F139 HydrophobicContact SD-CZ 4.08Å; L68-F139 HydrophobicContact CD1-CE1 3.84Å; L68-F139 HydrophobicContact CD1-CE2 4.43Å; L68-F139 HydrophobicContact CD1-CZ 3.48Å; L68-F139 VanDerWaalsContact CD1-CZ 3.48Å; V80-F139 HydrophobicContact CG1-CB 4.04Å; V80-F139 HydrophobicContact CG2-CB 4.41Å; K83-F139 HydrophobicContact CB-CD1 4.47Å; K83-F139 HydrophobicContact CB-CD2 3.88Å; K83-F139 HydrophobicContact CB-CE1 4.45Å; K83-F139 HydrophobicContact CB-CE2 3.87Å; K83-F139 HydrophobicContact CB-CG 4.21Å; K83-F139 HydrophobicContact CB-CZ 4.19Å; K83-F139 HydrophobicContact CD-CB 4.42Å; K83-F139 HydrophobicContact CD-CD1 4.07Å; K83-F139 HydrophobicContact CD-CG 4.14Å; L84-F139 HydrophobicContact CD1-CE2 4.44Å; D87-F139 HydrophobicContact CB-CE2 4.33Å; D87-F139 HydrophobicContact CB-CZ 4.35Å; Q135-F139 HydrophobicContact CB-CE2 4.09Å; Q135-F139 WeakPolarHBondContact O-CD2 3.31Å; Q135-F139 WeakPolarHBondContact O-CG 3.44Å; Q135-F139 PolarHBondContact O-N 3.35Å; F136-F139 PolarHBondContact O-N 3.23Å; F139-R147 PolarHBondContact O-NH2 2.74Å |
| 140 | A | 89.1 | Confident | 89.4 | Confident | 30 Ų | 30 | 41.4 Ų | 41.4 | 25% | 0.248 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -77.5 | -42.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F136 L137 | F136-A140 VanDerWaalsContact O-CB 3.26Å; F136-A140 WeakPolarHBondContact O-CB 3.16Å; F136-A140 PolarHBondContact O-N 2.9Å; L137-A140 PolarHBondContact O-N 3.37Å |
| 141 | L | 89.5 | Confident | 89.6 | Confident | 131 Ų | 131 | 41.5 Ų | 41.5 | 69% | 0.686 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -112.4 | -29.4 | -166.9 | -56.1 | 178.5 | 0 | 0 | 0 | 113.8 | L137 | L137-L141 HydrophobicContact CD2-CD1 3.95Å; L137-L141 WeakPolarHBondContact O-CB 3.42Å; L137-L141 PolarHBondContact O-N 3.31Å |
| 142 | V | 89.3 | Confident | 89.7 | Confident | 22 Ų | 22 | 39.3 Ų | 39.3 | 13% | 0.133 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -91.5 | 127.8 | -169.5 | -176.4 | 0 | 0 | 0 | 0 | 111 | N138 V146 R147 F150 | N138-V142 VanDerWaalsContact O-CB 3.29Å; N138-V142 WeakPolarHBondContact O-CB 3.27Å; N138-V142 PolarHBondContact O-N 2.96Å; N138-V142 WeakPolarHBondContact OD1-CB 3.46Å; V142-V146 HydrophobicContact CG1-CB 4.46Å; V142-V146 HydrophobicContact CG1-CG2 3.73Å; V142-R147 HydrophobicContact CB-CG 4.15Å; V142-R147 HydrophobicContact CG1-CB 4.49Å; V142-R147 HydrophobicContact CG1-CG 3.92Å; V142-R147 PolarHBondContact O-NE 3.34Å; V142-F150 HydrophobicContact CG1-CB 4.11Å; V142-F150 HydrophobicContact CG2-CB 4.36Å; V142-F150 HydrophobicContact CG2-CD1 4.36Å; V142-F150 HydrophobicContact CG2-CD2 3.83Å; V142-F150 HydrophobicContact CG2-CE2 4.19Å; V142-F150 HydrophobicContact CG2-CG 3.92Å |
| 143 | P | 87.4 | Confident | 89.7 | Confident | 60 Ų | 60 | 40.7 Ų | 40.7 | 39% | 0.39 | 21% | 0.213 | S | C | . | . | trans | -62.3 | 142.1 | 175.2 | -22.3 | 32.6 | 0 | 0 | 0 | 112.4 | Y145 V146 R147 | P143-Y145 HydrophobicContact CB-CD1 3.76Å; P143-Y145 HydrophobicContact CB-CE1 3.32Å; P143-Y145 HydrophobicContact CG-CE1 4.12Å; P143-Y145 PolarHBondContact O-N 3.4Å; P143-V146 HydrophobicContact CB-CG2 4.19Å; P143-V146 HydrophobicContact CG-CG2 4.33Å; P143-V146 WeakPolarHBondContact O-CG2 3.37Å; P143-V146 PolarHBondContact O-N 3.45Å; P143-R147 WeakPolarHBondContact O-CG 3.49Å; P143-R147 PolarHBondContact O-N 2.9Å | ||
| 144 | L | 86.3 | Confident | 89.7 | Confident | 55 Ų | 55 | 35.3 Ų | 35.3 | 29% | 0.288 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -35.1 | -174.8 | -176.9 | 63.2 | 0 | 0 | 0 | 114.5 | M65 R66 E69 V146 | M65-L144 HydrophobicContact CB-CD1 4.21Å; R66-L144 HydrophobicContact CG-CD1 4.36Å; R66-L144 HydrophobicContact CG-CD2 4.28Å; E69-L144 HydrophobicContact CB-CD1 4.06Å; E69-L144 HydrophobicContact CB-CD2 4.27Å; E69-L144 HydrophobicContact CG-CD1 4.45Å; E69-L144 HydrophobicContact CG-CD2 4.17Å; L144-V146 VanDerWaalsContact C-N 3.27Å; L144-V146 PolarHBondContact O-N 2.99Å |
| 145 | Y | 83.6 | Confident | 89.4 | Confident | 70 Ų | 70 | 33.8 Ų | 33.8 | 28% | 0.275 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -8.5 | -176.2 | 65 | -95.8 | 0 | 0 | 0 | 114.7 | V9 R10 N17 P143 | V9-Y145 HydrophobicContact CG1-CD2 4.19Å; R10-Y145 HydrophobicContact CG-CD2 4.43Å; R10-Y145 PolarHBondContact NH2-OH 3.28Å; N17-Y145 PolarHBondContact ND2-O 3.14Å; N17-Y145 PolarHBondContact OD1-O 3.05Å; P143-Y145 HydrophobicContact CB-CD1 3.76Å; P143-Y145 HydrophobicContact CB-CE1 3.32Å; P143-Y145 HydrophobicContact CG-CE1 4.12Å; P143-Y145 PolarHBondContact O-N 3.4Å |
| 146 | V | 87.1 | Confident | 89.2 | Confident | 37 Ų | 37 | 36.8 Ų | 36.8 | 22% | 0.224 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126 | 1.2 | 176.7 | -79.5 | 0 | 0 | 0 | 0 | 113.5 | V9 V142 P143 L144 T148 T149 F150 | V9-V146 HydrophobicContact CG1-CG1 4.11Å; V142-V146 HydrophobicContact CG1-CB 4.46Å; V142-V146 HydrophobicContact CG1-CG2 3.73Å; P143-V146 HydrophobicContact CB-CG2 4.19Å; P143-V146 HydrophobicContact CG-CG2 4.33Å; P143-V146 WeakPolarHBondContact O-CG2 3.37Å; P143-V146 PolarHBondContact O-N 3.45Å; L144-V146 VanDerWaalsContact C-N 3.27Å; L144-V146 PolarHBondContact O-N 2.99Å; V146-T148 PolarHBondContact O-N 3.12Å; V146-T149 PolarHBondContact O-N 2.91Å; V146-T149 VanDerWaalsContact O-N 3.16Å; V146-F150 PolarHBondContact O-N 3.31Å |
| 147 | R | 89.8 | Confident | 88.9 | Confident | 8 Ų | 8 | 35.7 Ų | 35.7 | 3% | 0.03 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -56.9 | -36.8 | -178.7 | -70.2 | -167 | 179.8 | 154.6 | -3.1 | 113.3 | M65 E69 N138 F139 V142 P143 F150 T151 | M65-R147 HydrophobicContact CB-CB 4.49Å; M65-R147 HydrophobicContact CG-CB 4.08Å; M65-R147 HydrophobicContact SD-CB 4.29Å; E69-R147 IonicContact OE2-CZ 3.71Å; E69-R147 IonicContact OE2-NH1 3.46Å; E69-R147 PolarHBondContact OE2-NH1 3.21Å; E69-R147 IonicContact OE2-NH2 2.63Å; E69-R147 PolarHBondContact OE2-NH2 2.72Å; N138-R147 PolarHBondContact ND2-O 3.46Å; N138-R147 VanDerWaalsContact ND2-O 3.14Å; N138-R147 PolarHBondContact O-NE 3.21Å; N138-R147 VanDerWaalsContact OD1-CA 3.29Å; N138-R147 WeakPolarHBondContact OD1-CA 3.44Å; N138-R147 WeakPolarHBondContact OD1-CB 3.44Å; N138-R147 WeakPolarHBondContact OD1-CG 3.03Å; F139-R147 PolarHBondContact O-NH2 2.74Å; V142-R147 HydrophobicContact CB-CG 4.15Å; V142-R147 HydrophobicContact CG1-CB 4.49Å; V142-R147 HydrophobicContact CG1-CG 3.92Å; V142-R147 PolarHBondContact O-NE 3.34Å; P143-R147 WeakPolarHBondContact O-CG 3.49Å; P143-R147 PolarHBondContact O-N 2.9Å; R147-F150 PolarHBondContact O-N 3.2Å; R147-T151 PolarHBondContact O-N 3.14Å; R147-T151 PolarHBondContact O-OG1 2.99Å; R147-T151 VanDerWaalsContact O-OG1 3.05Å |
| 148 | T | 89 | Confident | 88.5 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71 | -42.8 | 178.4 | -60.4 | 0 | 0 | 0 | 0 | 111.8 | N17 Y21 N61 F62 V146 F150 T151 G152 | N17-T148 HydrophobicContact CB-CG2 4Å; N17-T148 WeakPolarHBondContact OD1-CB 3.48Å; Y21-T148 HydrophobicContact CD2-CG2 4.2Å; Y21-T148 HydrophobicContact CG-CG2 4.42Å; N61-T148 HydrophobicContact CB-CG2 4.19Å; N61-T148 VanDerWaalsContact OD1-CA 3.25Å; N61-T148 WeakPolarHBondContact OD1-CA 3.5Å; N61-T148 VanDerWaalsContact OD1-CB 3.25Å; N61-T148 WeakPolarHBondContact OD1-CB 2.7Å; N61-T148 WeakPolarHBondContact OD1-CG2 3.34Å; N61-T148 PolarHBondContact OD1-OG1 3.28Å; F62-T148 VanDerWaalsContact CA-OG1 3.28Å; F62-T148 WeakPolarHBondContact CA-OG1 3.31Å; F62-T148 HydrophobicContact CB-CG2 4.39Å; V146-T148 PolarHBondContact O-N 3.12Å; T148-F150 VanDerWaalsContact C-N 3.29Å; T148-F150 PolarHBondContact O-N 2.83Å; T148-T151 PolarHBondContact O-N 2.89Å; T148-G152 PolarHBondContact O-N 2.93Å |
| 149 | T | 88.9 | Confident | 87.9 | Confident | 25 Ų | 25 | 35.2 Ų | 35.2 | 15% | 0.153 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.3 | -42.9 | 171.1 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | N17 L20 V146 T151 G152 C153 | N17-T149 PolarHBondContact OD1-N 2.95Å; N17-T149 VanDerWaalsContact OD1-N 3.1Å; N17-T149 PolarHBondContact OD1-OG1 3.1Å; N17-T149 VanDerWaalsContact OD1-OG1 3.11Å; L20-T149 HydrophobicContact CB-CG2 4.06Å; L20-T149 HydrophobicContact CD1-CG2 3.81Å; V146-T149 PolarHBondContact O-N 2.91Å; V146-T149 VanDerWaalsContact O-N 3.16Å; T149-T151 PolarHBondContact O-N 3.45Å; T149-G152 WeakPolarHBondContact O-CA 3.49Å; T149-G152 PolarHBondContact O-N 2.83Å; T149-G152 VanDerWaalsContact O-N 3.09Å; T149-C153 PolarHBondContact O-N 2.85Å; T149-C153 PolarHBondContact O-SG 2.94Å |
| 150 | F | 91.6 | Very high | 87.1 | Confident | 57 Ų | 57 | 37.5 Ų | 37.5 | 25% | 0.25 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.6 | -46.7 | 175.5 | 178.1 | -89.5 | 0 | 0 | 0 | 111.8 | M134 L137 N138 V142 V146 R147 T148 G152 C153 C154 | M134-F150 WeakPolarHBondContact O-CE1 3.32Å; L137-F150 HydrophobicContact CB-CZ 4.46Å; N138-F150 HydrophobicContact CB-CD1 3.67Å; N138-F150 HydrophobicContact CB-CE1 3.74Å; N138-F150 VanDerWaalsContact CG-CD1 3.42Å; V142-F150 HydrophobicContact CG1-CB 4.11Å; V142-F150 HydrophobicContact CG2-CB 4.36Å; V142-F150 HydrophobicContact CG2-CD1 4.36Å; V142-F150 HydrophobicContact CG2-CD2 3.83Å; V142-F150 HydrophobicContact CG2-CE2 4.19Å; V142-F150 HydrophobicContact CG2-CG 3.92Å; V146-F150 PolarHBondContact O-N 3.31Å; R147-F150 PolarHBondContact O-N 3.2Å; T148-F150 VanDerWaalsContact C-N 3.29Å; T148-F150 PolarHBondContact O-N 2.83Å; F150-G152 PolarHBondContact O-N 3.22Å; F150-C153 WeakPolarHBondContact O-CB 3.23Å; F150-C153 PolarHBondContact O-N 3.23Å; F150-C153 VanDerWaalsContact O-N 3.08Å; F150-C154 WeakPolarHBondContact CE1-SG 3.27Å; F150-C154 PolarHBondContact O-N 3.46Å; F150-C154 PolarHBondContact O-SG 2.85Å |
| 151 | T | 90.4 | Very high | 86.5 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.7 | -38.5 | 173.6 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | Y21 W131 N138 R147 T148 T149 C154 A155 | Y21-T151 HydrophobicContact CE2-CG2 4.11Å; W131-T151 HydrophobicContact CH2-CG2 4.2Å; W131-T151 HydrophobicContact CZ3-CG2 3.74Å; N138-T151 PolarHBondContact ND2-OG1 3.16Å; R147-T151 PolarHBondContact O-N 3.14Å; R147-T151 PolarHBondContact O-OG1 2.99Å; R147-T151 VanDerWaalsContact O-OG1 3.05Å; T148-T151 PolarHBondContact O-N 2.89Å; T149-T151 PolarHBondContact O-N 3.45Å; T151-C154 PolarHBondContact O-N 2.94Å; T151-A155 WeakPolarHBondContact O-CB 3.4Å; T151-A155 PolarHBondContact O-N 3.41Å |
| 152 | G | 88.9 | Confident | 85.5 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.2 | -41.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y21 T148 T149 F150 A155 F156 | Y21-G152 VanDerWaalsContact CD2-CA 3.43Å; T148-G152 PolarHBondContact O-N 2.93Å; T149-G152 WeakPolarHBondContact O-CA 3.49Å; T149-G152 PolarHBondContact O-N 2.83Å; T149-G152 VanDerWaalsContact O-N 3.09Å; F150-G152 PolarHBondContact O-N 3.22Å; G152-A155 WeakPolarHBondContact O-CB 3.19Å; G152-A155 PolarHBondContact O-N 2.87Å; G152-F156 PolarHBondContact O-N 2.92Å |
| 153 | C | 90.3 | Very high | 84.3 | Confident | 59 Ų | 59 | 31.5 Ų | 31.5 | 40% | 0.399 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.9 | -44 | 175 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | T149 F150 A155 F156 V157 | T149-C153 PolarHBondContact O-N 2.85Å; T149-C153 PolarHBondContact O-SG 2.94Å; F150-C153 WeakPolarHBondContact O-CB 3.23Å; F150-C153 PolarHBondContact O-N 3.23Å; F150-C153 VanDerWaalsContact O-N 3.08Å; C153-A155 VanDerWaalsContact C-N 3.28Å; C153-A155 PolarHBondContact O-N 3.39Å; C153-F156 WeakPolarHBondContact O-CB 3.33Å; C153-F156 PolarHBondContact O-N 3.34Å; C153-V157 PolarHBondContact O-N 3.39Å; C153-V157 VanDerWaalsContact O-N 3.12Å |
| 154 | C | 90.2 | Very high | 83.2 | Confident | 11 Ų | 11 | 33.8 Ų | 33.8 | 7% | 0.074 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.9 | -37.3 | 174.7 | -64.3 | 0 | 0 | 0 | 0 | 111.9 | F130 W131 M134 F150 T151 V157 W158 | F130-C154 HydrophobicContact CE1-CB 4.21Å; F130-C154 HydrophobicContact CZ-CB 4.24Å; W131-C154 HydrophobicContact CH2-CB 4.32Å; W131-C154 HydrophobicContact CZ3-CB 4Å; M134-C154 HydrophobicContact CB-CB 4.43Å; M134-C154 HydrophobicContact CG-CB 4.45Å; F150-C154 WeakPolarHBondContact CE1-SG 3.27Å; F150-C154 PolarHBondContact O-N 3.46Å; F150-C154 PolarHBondContact O-SG 2.85Å; T151-C154 PolarHBondContact O-N 2.94Å; C154-V157 PolarHBondContact O-N 3.1Å; C154-W158 WeakPolarHBondContact O-CB 3.32Å; C154-W158 PolarHBondContact O-N 3.4Å |
| 155 | A | 86.8 | Confident | 81.9 | Confident | 3 Ų | 3 | 31.4 Ų | 31.4 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.7 | -38.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F25 W131 T151 G152 C153 W158 A159 | F25-A155 HydrophobicContact CD2-CB 3.58Å; F25-A155 HydrophobicContact CE2-CB 3.79Å; W131-A155 HydrophobicContact CH2-CB 3.97Å; W131-A155 HydrophobicContact CZ2-CB 4.49Å; T151-A155 WeakPolarHBondContact O-CB 3.4Å; T151-A155 PolarHBondContact O-N 3.41Å; G152-A155 WeakPolarHBondContact O-CB 3.19Å; G152-A155 PolarHBondContact O-N 2.87Å; C153-A155 VanDerWaalsContact C-N 3.28Å; C153-A155 PolarHBondContact O-N 3.39Å; A155-W158 WeakPolarHBondContact O-CB 3.36Å; A155-W158 PolarHBondContact O-N 3.28Å; A155-A159 PolarHBondContact O-N 3.43Å |
| 156 | F | 86.7 | Confident | 80.7 | Confident | 68 Ų | 68 | 36.7 Ų | 36.7 | 30% | 0.298 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.4 | -47.6 | 172.1 | 177.5 | -89.8 | 0 | 0 | 0 | 111.3 | L24 G28 V31 G152 C153 W158 A159 T160 | L24-F156 WeakPolarHBondContact O-CD2 3.34Å; G28-F156 VanDerWaalsContact CA-CD2 3.43Å; V31-F156 HydrophobicContact CB-CE2 4.4Å; V31-F156 HydrophobicContact CB-CZ 4.48Å; V31-F156 HydrophobicContact CG2-CE2 3.87Å; V31-F156 HydrophobicContact CG2-CZ 3.91Å; G152-F156 PolarHBondContact O-N 2.92Å; C153-F156 WeakPolarHBondContact O-CB 3.33Å; C153-F156 PolarHBondContact O-N 3.34Å; F156-W158 VanDerWaalsContact C-N 3.31Å; F156-W158 PolarHBondContact O-N 3.35Å; F156-A159 WeakPolarHBondContact O-CB 3.36Å; F156-A159 PolarHBondContact O-N 2.8Å; F156-T160 PolarHBondContact O-N 2.8Å; F156-T160 PolarHBondContact O-OG1 3.24Å |
| 157 | V | 86.8 | Confident | 79.1 | Confident | 59 Ų | 59 | 40.5 Ų | 40.5 | 36% | 0.358 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.4 | -41.2 | 176 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | F130 C153 C154 A159 T160 F161 W179 | F130-V157 HydrophobicContact CE2-CG1 4.45Å; F130-V157 HydrophobicContact CZ-CG1 4.47Å; C153-V157 PolarHBondContact O-N 3.39Å; C153-V157 VanDerWaalsContact O-N 3.12Å; C154-V157 PolarHBondContact O-N 3.1Å; V157-A159 VanDerWaalsContact C-N 3.34Å; V157-A159 PolarHBondContact O-N 3.16Å; V157-T160 PolarHBondContact O-N 3.19Å; V157-F161 PolarHBondContact O-N 3.43Å; V157-W179 HydrophobicContact CG1-CH2 4.33Å |
| 158 | W | 84.1 | Confident | 77.3 | Confident | 24 Ų | 24 | 43.1 Ų | 43.1 | 9% | 0.091 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.2 | -40.9 | 176.1 | 175.7 | -100 | 0 | 0 | 0 | 112.6 | T126 F130 W131 C154 A155 F156 T160 F161 L162 | T126-W158 HydrophobicContact CG2-CH2 3.46Å; T126-W158 VanDerWaalsContact CG2-CH2 3.46Å; T126-W158 HydrophobicContact CG2-CZ2 4.41Å; T126-W158 HydrophobicContact CG2-CZ3 4.06Å; F130-W158 HydrophobicContact CB-CE3 3.75Å; F130-W158 HydrophobicContact CB-CZ3 3.47Å; F130-W158 VanDerWaalsContact CB-CZ3 3.47Å; F130-W158 HydrophobicContact CD1-CB 4.44Å; F130-W158 HydrophobicContact CD1-CD2 4.21Å; F130-W158 AromaticContact CD1-CE3 3.47Å; F130-W158 HydrophobicContact CD1-CE3 3.47Å; F130-W158 VanDerWaalsContact CD1-CE3 3.47Å; F130-W158 HydrophobicContact CD1-CZ3 4.09Å; F130-W158 HydrophobicContact CD2-CE3 4.22Å; F130-W158 HydrophobicContact CE1-CB 3.92Å; F130-W158 HydrophobicContact CE1-CE3 4.07Å; F130-W158 AromaticContact CG-CE3 3.56Å; F130-W158 HydrophobicContact CG-CE3 3.56Å; F130-W158 AromaticContact CG-CZ3 3.85Å; F130-W158 HydrophobicContact CG-CZ3 3.85Å; F130-W158 HydrophobicContact CZ-CB 4.31Å; W131-W158 HydrophobicContact CZ2-CB 4.38Å; W131-W158 HydrophobicContact CZ2-CG 4.31Å; C154-W158 WeakPolarHBondContact O-CB 3.32Å; C154-W158 PolarHBondContact O-N 3.4Å; A155-W158 WeakPolarHBondContact O-CB 3.36Å; A155-W158 PolarHBondContact O-N 3.28Å; F156-W158 VanDerWaalsContact C-N 3.31Å; F156-W158 PolarHBondContact O-N 3.35Å; W158-T160 VanDerWaalsContact C-N 3.35Å; W158-T160 PolarHBondContact O-N 3.47Å; W158-F161 HydrophobicContact CE3-CD1 4.07Å; W158-F161 AromaticContact CZ3-CD1 3.98Å; W158-F161 HydrophobicContact CZ3-CD1 3.98Å; W158-F161 HydrophobicContact CZ3-CE1 4.27Å; W158-F161 PolarHBondContact O-N 3.23Å; W158-L162 HydrophobicContact CZ2-CD1 4.45Å; W158-L162 HydrophobicContact CZ2-CD2 4.02Å; W158-L162 HydrophobicContact CZ2-CG 4.3Å; W158-L162 WeakPolarHBondContact O-CG 3.42Å; W158-L162 PolarHBondContact O-N 2.86Å |
| 159 | A | 79.6 | Confident | 75.4 | Confident | 16 Ų | 16 | 46.4 Ų | 46.4 | 13% | 0.132 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -42.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | A155 F156 V157 L162 C163 | A155-A159 PolarHBondContact O-N 3.43Å; F156-A159 WeakPolarHBondContact O-CB 3.36Å; F156-A159 PolarHBondContact O-N 2.8Å; V157-A159 VanDerWaalsContact C-N 3.34Å; V157-A159 PolarHBondContact O-N 3.16Å; A159-L162 PolarHBondContact O-N 3.01Å; A159-C163 PolarHBondContact O-N 3.37Å |
| 160 | T | 74.4 | Confident | 73.3 | Confident | 48 Ų | 48 | 50.8 Ų | 50.8 | 29% | 0.294 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 173.6 | -53.1 | 0 | 0 | 0 | 0 | 111.8 | F156 V157 W158 L162 C163 F164 | F156-T160 PolarHBondContact O-N 2.8Å; F156-T160 PolarHBondContact O-OG1 3.24Å; V157-T160 PolarHBondContact O-N 3.19Å; W158-T160 VanDerWaalsContact C-N 3.35Å; W158-T160 PolarHBondContact O-N 3.47Å; T160-L162 PolarHBondContact O-N 3.36Å; T160-C163 VanDerWaalsContact O-CB 3.29Å; T160-C163 WeakPolarHBondContact O-CB 3.47Å; T160-C163 PolarHBondContact O-N 2.78Å; T160-C163 VanDerWaalsContact O-N 3.12Å; T160-F164 PolarHBondContact O-N 2.94Å; T160-F164 VanDerWaalsContact O-N 3.14Å |
| 161 | F | 75.8 | Confident | 71.6 | Confident | 11 Ų | 11 | 50.9 Ų | 50.9 | 5% | 0.048 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 177.4 | 169.8 | -96.4 | 0 | 0 | 0 | 112.1 | T126 V157 W158 C163 F164 S165 A176 W179 | T126-F161 HydrophobicContact CG2-CE1 3.93Å; V157-F161 PolarHBondContact O-N 3.43Å; W158-F161 HydrophobicContact CE3-CD1 4.07Å; W158-F161 AromaticContact CZ3-CD1 3.98Å; W158-F161 HydrophobicContact CZ3-CD1 3.98Å; W158-F161 HydrophobicContact CZ3-CE1 4.27Å; W158-F161 PolarHBondContact O-N 3.23Å; F161-C163 PolarHBondContact O-N 2.83Å; F161-F164 PolarHBondContact O-N 3.44Å; F161-S165 PolarHBondContact O-N 3.32Å; F161-A176 HydrophobicContact CE1-CB 4.04Å; F161-A176 VanDerWaalsContact CE2-CA 3.49Å; F161-A176 HydrophobicContact CE2-CB 4.12Å; F161-A176 HydrophobicContact CZ-CB 3.41Å; F161-A176 VanDerWaalsContact CZ-CB 3.41Å; F161-W179 HydrophobicContact CD2-CB 4.25Å; F161-W179 HydrophobicContact CD2-CD2 4.2Å; F161-W179 HydrophobicContact CD2-CE3 4.41Å; F161-W179 HydrophobicContact CD2-CG 4.12Å; F161-W179 HydrophobicContact CE2-CB 3.97Å; F161-W179 HydrophobicContact CE2-CG 4.33Å |
| 162 | L | 69.3 | Low | 70 | Confident | 43 Ų | 43 | 52 Ų | 52 | 23% | 0.225 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.8 | -35.5 | 175.4 | -76 | 178.9 | 0 | 0 | 0 | 111.9 | W158 A159 T160 R166 T172 | W158-L162 HydrophobicContact CZ2-CD1 4.45Å; W158-L162 HydrophobicContact CZ2-CD2 4.02Å; W158-L162 HydrophobicContact CZ2-CG 4.3Å; W158-L162 WeakPolarHBondContact O-CG 3.42Å; W158-L162 PolarHBondContact O-N 2.86Å; A159-L162 PolarHBondContact O-N 3.01Å; T160-L162 PolarHBondContact O-N 3.36Å; L162-R166 WeakPolarHBondContact O-CB 3.28Å; L162-R166 WeakPolarHBondContact O-CG 3.12Å; L162-R166 PolarHBondContact O-N 3.3Å; L162-T172 HydrophobicContact CD2-CG2 4.29Å |
| 163 | C | 64.6 | Low | 68.3 | Low | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.014 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 175.6 | -166.1 | 0 | 0 | 0 | 0 | 112 | F35 A159 T160 F161 R166 Q167 | F35-C163 VanDerWaalsContact C-SG 3.57Å; F35-C163 HydrophobicContact CB-CB 4.27Å; F35-C163 WeakPolarHBondContact CB-SG 3.26Å; A159-C163 PolarHBondContact O-N 3.37Å; T160-C163 VanDerWaalsContact O-CB 3.29Å; T160-C163 WeakPolarHBondContact O-CB 3.47Å; T160-C163 PolarHBondContact O-N 2.78Å; T160-C163 VanDerWaalsContact O-N 3.12Å; F161-C163 PolarHBondContact O-N 2.83Å; C163-R166 PolarHBondContact O-N 3.39Å; C163-Q167 WeakPolarHBondContact O-CG 3.29Å; C163-Q167 PolarHBondContact O-N 3.17Å; C163-Q167 PolarHBondContact SG-NE2 2.89Å; C163-Q167 VanDerWaalsContact SG-NE2 3.44Å |
| 164 | F | 62.4 | Low | 66.7 | Low | 108 Ų | 108 | 53 Ų | 53 | 47% | 0.474 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.4 | -49.7 | 177.7 | -176.2 | -100.7 | 0 | 0 | 0 | 110.9 | T160 F161 R166 Q167 T168 | T160-F164 PolarHBondContact O-N 2.94Å; T160-F164 VanDerWaalsContact O-N 3.14Å; F161-F164 PolarHBondContact O-N 3.44Å; F164-R166 VanDerWaalsContact C-N 3.26Å; F164-R166 PolarHBondContact O-N 3.33Å; F164-Q167 WeakPolarHBondContact O-CB 3.46Å; F164-Q167 PolarHBondContact O-N 3.16Å; F164-T168 PolarHBondContact O-N 3.41Å; F164-T168 VanDerWaalsContact O-N 3.16Å; F164-T168 PolarHBondContact O-OG1 2.91Å |
| 165 | S | 60.2 | Low | 65.2 | Low | 5 Ų | 5 | 52.8 Ų | 52.8 | 4% | 0.035 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.3 | -32.6 | 179.6 | 174.3 | 0 | 0 | 0 | 0 | 113.7 | F161 Q167 T172 | F161-S165 PolarHBondContact O-N 3.32Å; S165-Q167 VanDerWaalsContact C-N 3.34Å; S165-T172 WeakPolarHBondContact OG-CA 3.31Å; S165-T172 WeakPolarHBondContact OG-CG2 3.37Å |
| 166 | R | 57.3 | Low | 63.7 | Low | 181 Ų | 181 | 52.8 Ų | 52.8 | 68% | 0.683 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -71.8 | -29.4 | 176.5 | -75.3 | 174.6 | 67.6 | 80.9 | 7.4 | 112.6 | L162 C163 F164 | L162-R166 WeakPolarHBondContact O-CB 3.28Å; L162-R166 WeakPolarHBondContact O-CG 3.12Å; L162-R166 PolarHBondContact O-N 3.3Å; C163-R166 PolarHBondContact O-N 3.39Å; F164-R166 VanDerWaalsContact C-N 3.26Å; F164-R166 PolarHBondContact O-N 3.33Å |
| 167 | Q | 54.3 | Low | 62.3 | Low | 117 Ų | 117 | 53.9 Ų | 53.9 | 55% | 0.547 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -77.5 | -31.9 | 177.9 | -69 | 172.8 | 18.6 | 0 | 0 | 112.2 | F35 C163 F164 S165 G169 | F35-Q167 PolarHBondContact O-NE2 2.95Å; C163-Q167 WeakPolarHBondContact O-CG 3.29Å; C163-Q167 PolarHBondContact O-N 3.17Å; C163-Q167 PolarHBondContact SG-NE2 2.89Å; C163-Q167 VanDerWaalsContact SG-NE2 3.44Å; F164-Q167 WeakPolarHBondContact O-CB 3.46Å; F164-Q167 PolarHBondContact O-N 3.16Å; S165-Q167 VanDerWaalsContact C-N 3.34Å; Q167-G169 VanDerWaalsContact C-N 3.28Å; Q167-G169 PolarHBondContact O-N 2.9Å |
| 168 | T | 52.3 | Low | 61 | Low | 63 Ų | 63 | 53.1 Ų | 53.1 | 39% | 0.387 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -76.9 | -9.7 | -176.6 | -32 | 0 | 0 | 0 | 0 | 113.7 | F164 D170 | F164-T168 PolarHBondContact O-N 3.41Å; F164-T168 VanDerWaalsContact O-N 3.16Å; F164-T168 PolarHBondContact O-OG1 2.91Å; T168-D170 PolarHBondContact O-N 3.36Å |
| 169 | G | 47.8 | Very low | 59.8 | Low | 70 Ų | 70 | 58 Ų | 58 | 72% | 0.722 | 34% | 0.338 | S | S | * | . | trans | 68.3 | -18.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q167 | Q167-G169 VanDerWaalsContact C-N 3.28Å; Q167-G169 PolarHBondContact O-N 2.9Å | ||
| 170 | D | 46.3 | Very low | 58.6 | Low | 117 Ų | 117 | 60 Ų | 60 | 63% | 0.626 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -93.3 | 129.2 | -179.3 | -63.1 | -31.1 | 0 | 0 | 0 | 110.2 | T168 | T168-D170 PolarHBondContact O-N 3.36Š|
| 171 | G | 54.8 | Low | 57.7 | Low | 59 Ų | 59 | 64.9 Ų | 64.9 | 61% | 0.608 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -36.7 | 136.9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | A173 G174 | G171-A173 PolarHBondContact O-N 3.14Å; G171-G174 PolarHBondContact O-N 3.34Å |
| 172 | T | 57.7 | Low | 56.3 | Low | 27 Ų | 27 | 68.7 Ų | 68.7 | 17% | 0.166 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -50.5 | -24.5 | -165.8 | -40.4 | 0 | 0 | 0 | 0 | 115.5 | N122 T126 L162 S165 A176 | N122-T172 PolarHBondContact ND2-OG1 3.43Å; N122-T172 VanDerWaalsContact ND2-OG1 3.17Å; T126-T172 HydrophobicContact CG2-CG2 3.56Å; T126-T172 WeakPolarHBondContact OG1-CB 3.28Å; T126-T172 WeakPolarHBondContact OG1-CG2 3.26Å; L162-T172 HydrophobicContact CD2-CG2 4.29Å; S165-T172 WeakPolarHBondContact OG-CA 3.31Å; S165-T172 WeakPolarHBondContact OG-CG2 3.37Å; T172-A176 WeakPolarHBondContact O-CB 3.39Å; T172-A176 PolarHBondContact O-N 2.91Å |
| 173 | A | 53.5 | Low | 55.1 | Low | 38 Ų | 38 | 69.8 Ų | 69.8 | 31% | 0.314 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -74.3 | -37.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114 | M129 G171 A176 L177 | M129-A173 HydrophobicContact CE-CB 3.94Å; M129-A173 HydrophobicContact SD-CB 4.18Å; G171-A173 PolarHBondContact O-N 3.14Å; A173-A176 PolarHBondContact O-N 2.96Å; A173-L177 WeakPolarHBondContact O-CB 3.31Å; A173-L177 VanDerWaalsContact O-CG 3.32Å; A173-L177 WeakPolarHBondContact O-CG 3.25Å; A173-L177 PolarHBondContact O-N 2.98Å |
| 174 | G | 55.6 | Low | 54.4 | Low | 43 Ų | 43 | 79.2 Ų | 79.2 | 44% | 0.443 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -69.4 | -44 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G171 A176 L177 A178 | G171-G174 PolarHBondContact O-N 3.34Å; G174-A176 VanDerWaalsContact C-N 3.31Å; G174-A176 PolarHBondContact O-N 3.45Å; G174-L177 PolarHBondContact O-N 3.43Å; G174-A178 WeakPolarHBondContact O-CB 3.47Å; G174-A178 PolarHBondContact O-N 2.88Å |
| 175 | A | 58.5 | Low | 54 | Low | 7 Ų | 7 | 80.8 Ų | 80.8 | 6% | 0.058 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62.9 | -36.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | W179 | A175-W179 VanDerWaalsContact O-CB 3.31Å; A175-W179 WeakPolarHBondContact O-CB 3.32Å; A175-W179 PolarHBondContact O-N 3.41Å |
| 176 | A | 56.2 | Low | 53.4 | Low | 2 Ų | 2 | 88 Ų | 88 | 2% | 0.017 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | T126 M129 F161 T172 A173 G174 W179 M180 | T126-A176 HydrophobicContact CG2-CB 4.13Å; M129-A176 HydrophobicContact SD-CB 4.43Å; F161-A176 HydrophobicContact CE1-CB 4.04Å; F161-A176 VanDerWaalsContact CE2-CA 3.49Å; F161-A176 HydrophobicContact CE2-CB 4.12Å; F161-A176 HydrophobicContact CZ-CB 3.41Å; F161-A176 VanDerWaalsContact CZ-CB 3.41Å; T172-A176 WeakPolarHBondContact O-CB 3.39Å; T172-A176 PolarHBondContact O-N 2.91Å; A173-A176 PolarHBondContact O-N 2.96Å; G174-A176 VanDerWaalsContact C-N 3.31Å; G174-A176 PolarHBondContact O-N 3.45Å; A176-W179 PolarHBondContact O-N 3.5Å; A176-M180 WeakPolarHBondContact O-CB 3.48Å; A176-M180 WeakPolarHBondContact O-CG 3.38Å; A176-M180 PolarHBondContact O-N 2.98Å |
| 177 | L | 57.6 | Low | 52.7 | Low | 91 Ų | 91 | 84.1 Ų | 84.1 | 48% | 0.476 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.8 | -44.6 | 176.6 | -75.2 | 167 | 0 | 0 | 0 | 111.9 | A173 G174 W179 M180 F181 | A173-L177 WeakPolarHBondContact O-CB 3.31Å; A173-L177 VanDerWaalsContact O-CG 3.32Å; A173-L177 WeakPolarHBondContact O-CG 3.25Å; A173-L177 PolarHBondContact O-N 2.98Å; G174-L177 PolarHBondContact O-N 3.43Å; L177-W179 VanDerWaalsContact C-N 3.31Å; L177-W179 PolarHBondContact O-N 2.92Å; L177-M180 PolarHBondContact O-N 3.28Å; L177-F181 HydrophobicContact CD2-CD2 4.44Å; L177-F181 CarbonylContact O-C 3.48Å; L177-F181 WeakPolarHBondContact O-CA 3.38Å; L177-F181 WeakPolarHBondContact O-CB 3.42Å; L177-F181 PolarHBondContact O-N 3.41Å |
| 178 | A | 59.6 | Low | 52 | Low | 43 Ų | 43 | 82.3 Ų | 82.3 | 36% | 0.355 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -33.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G174 F181 P182 | G174-A178 WeakPolarHBondContact O-CB 3.47Å; G174-A178 PolarHBondContact O-N 2.88Å; A178-F181 CarbonylContact O-C 3.38Å; A178-P182 WeakPolarHBondContact O-CA 3.44Å |
| 179 | W | 58.2 | Low | 51 | Low | 126 Ų | 126 | 88.7 Ų | 88.7 | 48% | 0.477 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -76 | -42 | 176.2 | -174.2 | 85.3 | 0 | 0 | 0 | 113 | V157 F161 A175 A176 L177 | V157-W179 HydrophobicContact CG1-CH2 4.33Å; F161-W179 HydrophobicContact CD2-CB 4.25Å; F161-W179 HydrophobicContact CD2-CD2 4.2Å; F161-W179 HydrophobicContact CD2-CE3 4.41Å; F161-W179 HydrophobicContact CD2-CG 4.12Å; F161-W179 HydrophobicContact CE2-CB 3.97Å; F161-W179 HydrophobicContact CE2-CG 4.33Å; A175-W179 VanDerWaalsContact O-CB 3.31Å; A175-W179 WeakPolarHBondContact O-CB 3.32Å; A175-W179 PolarHBondContact O-N 3.41Å; A176-W179 PolarHBondContact O-N 3.5Å; L177-W179 VanDerWaalsContact C-N 3.31Å; L177-W179 PolarHBondContact O-N 2.92Å |
| 180 | M | 53.6 | Low | 50.3 | Low | 58 Ų | 58 | 90.4 Ų | 90.4 | 29% | 0.286 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -73.3 | -31.5 | 177.8 | -73.5 | -176.7 | -177.7 | 0 | 0 | 112.9 | F130 A176 L177 | F130-M180 VanDerWaalsContact CA-CE 3.47Å; F130-M180 HydrophobicContact CB-CE 3.62Å; F130-M180 HydrophobicContact CD2-CE 3.68Å; F130-M180 HydrophobicContact CG-CE 4.14Å; A176-M180 WeakPolarHBondContact O-CB 3.48Å; A176-M180 WeakPolarHBondContact O-CG 3.38Å; A176-M180 PolarHBondContact O-N 2.98Å; L177-M180 PolarHBondContact O-N 3.28Å |
| 181 | F | 56.4 | Low | 50.2 | Low | 151 Ų | 151 | 89.7 Ų | 89.7 | 66% | 0.662 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -135.7 | 76 | -178.9 | -56.6 | -76.3 | 0 | 0 | 0 | 108.5 | L177 A178 | L177-F181 HydrophobicContact CD2-CD2 4.44Å; L177-F181 CarbonylContact O-C 3.48Å; L177-F181 WeakPolarHBondContact O-CA 3.38Å; L177-F181 WeakPolarHBondContact O-CB 3.42Å; L177-F181 PolarHBondContact O-N 3.41Å; A178-F181 CarbonylContact O-C 3.38Å |
| 182 | P | 46.2 | Very low | 49.2 | Very low | 91 Ų | 91 | 93.5 Ų | 93.5 | 59% | 0.591 | 54% | 0.535 | S | S | * | . | trans | -54.9 | 127.6 | 175.2 | 20.4 | -30.5 | 0 | 0 | 0 | 109.1 | A178 K184 | A178-P182 WeakPolarHBondContact O-CA 3.44Å; P182-K184 PolarHBondContact O-N 2.8Å | ||
| 183 | P | 44.7 | Very low | 48.3 | Very low | 66 Ų | 66 | 99.3 Ų | 99.3 | 43% | 0.429 | 57% | 0.565 | S | S | . | * | trans | -55.1 | 132.4 | 169.3 | -15.4 | 26.2 | 0 | 0 | 0 | 107.7 | D185 E186 | P183-D185 PolarHBondContact O-N 3.31Å; P183-E186 PolarHBondContact O-N 3.41Å | ||
| 184 | K | 50.4 | Low | 47.6 | Very low | 200 Ų | 200 | 106 Ų | 106 | 87% | 0.87 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -8.5 | -178.1 | -94.5 | -179 | 173.1 | 179.5 | 0 | 114.2 | P182 | P182-K184 PolarHBondContact O-N 2.8Š|
| 185 | D | 52.2 | Low | 46.6 | Very low | 142 Ų | 142 | 110 Ų | 110 | 76% | 0.759 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -11.6 | -175 | -55.8 | -34.7 | 0 | 0 | 0 | 113.8 | P183 | P183-D185 PolarHBondContact O-N 3.31Š|
| 186 | E | 48.3 | Very low | 45.7 | Very low | 156 Ų | 156 | 114.4 Ų | 114.4 | 73% | 0.729 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -4.4 | 178.7 | -78.1 | -168.8 | 159.1 | 0 | 0 | 114.7 | P183 A188 | P183-E186 PolarHBondContact O-N 3.41Å; E186-A188 PolarHBondContact O-N 3.01Å; E186-A188 VanDerWaalsContact O-N 3.16Å |
| 187 | A | 43.6 | Very low | 44.9 | Very low | 100 Ų | 100 | 119 Ų | 119 | 83% | 0.826 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 3.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 188 | A | 38.1 | Very low | 44.3 | Very low | 78 Ų | 78 | 121.9 Ų | 121.9 | 65% | 0.645 | 67% | 0.667 | S | S | * | * | trans | -133.1 | 62.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E186 | E186-A188 PolarHBondContact O-N 3.01Å; E186-A188 VanDerWaalsContact O-N 3.16Å | ||
| 189 | K | 31.1 | Very low | 43.5 | Very low | 197 Ų | 197 | 127.8 Ų | 127.8 | 86% | 0.857 | 69% | 0.687 | S | S | * | * | trans | -133.3 | 108.3 | 147.6 | -80.5 | -170.2 | 178.4 | 175.3 | 0 | 109.2 | ||||
| 190 | P | 34.1 | Very low | 42.7 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 70% | 0.695 | 70% | 0.697 | S | S | * | * | trans | -65.5 | 141.6 | 163.7 | 17.6 | -8 | 0 | 0 | 0 | 108.4 | D192 | P190-D192 PolarHBondContact O-N 3.39Å; P190-D192 VanDerWaalsContact O-N 3.16Å | ||
| 191 | A | 43.9 | Very low | 42.4 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 84% | 0.835 | 71% | 0.714 | S | S | * | * | trans | -69.7 | 99.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 192 | D | 33.6 | Very low | 42.1 | Very low | 140 Ų | 140 | 131.7 Ų | 131.7 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | trans | -98.7 | 82.5 | 164.6 | -70.3 | -17.1 | 0 | 0 | 0 | 107.8 | P190 | P190-D192 PolarHBondContact O-N 3.39Å; P190-D192 VanDerWaalsContact O-N 3.16Å | ||
| 193 | D | 40.2 | Very low | 42.2 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | trans | -86.6 | 88 | 149.8 | -177.5 | 28.6 | 0 | 0 | 0 | 106.3 | ||||
| 194 | E | 37.8 | Very low | 42.5 | Very low | 179 Ų | 179 | 139 Ų | 139 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | trans | -131.2 | 84.4 | 165.7 | -146.3 | 176.9 | -161 | 0 | 0 | 107.7 | D196 | E194-D196 VanDerWaalsContact C-N 3.32Å; E194-D196 PolarHBondContact O-N 2.92Å | ||
| 195 | T | 35.1 | Very low | 42.7 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | trans | -66.2 | 95 | 162.2 | 11.2 | 0 | 0 | 0 | 0 | 107.7 | P197 | T195-P197 WeakPolarHBondContact O-CD 3.09Š| ||
| 196 | D | 38.2 | Very low | 42.9 | Very low | 99 Ų | 99 | 131 Ų | 131 | 53% | 0.529 | 73% | 0.729 | S | S | . | * | trans | -58.1 | 122.9 | 175.6 | -174.8 | -10.1 | 0 | 0 | 0 | 110.2 | E194 K198 | E194-D196 VanDerWaalsContact C-N 3.32Å; E194-D196 PolarHBondContact O-N 2.92Å; D196-K198 PolarHBondContact O-N 3.16Å; D196-K198 PolarHBondContact OD1-N 3.16Å | ||
| 197 | P | 41 | Very low | 43.3 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 64% | 0.643 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -3.4 | -177.5 | -24.7 | 33.2 | 0 | 0 | 0 | 116.9 | T195 | T195-P197 WeakPolarHBondContact O-CD 3.09Š|
| 198 | K | 44.2 | Very low | 43.1 | Very low | 152 Ų | 152 | 134.2 Ų | 134.2 | 66% | 0.661 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -24.8 | -171.9 | -73.9 | 177.3 | -178.9 | 172.6 | 0 | 115.5 | D196 | D196-K198 PolarHBondContact O-N 3.16Å; D196-K198 PolarHBondContact OD1-N 3.16Å |
| 199 | Q | 42 | Very low | 43.3 | Very low | 167 Ų | 167 | 136.2 Ų | 136.2 | 78% | 0.78 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -74.4 | -24.1 | 175.4 | -93.1 | 179.3 | -20.4 | 0 | 0 | 113.5 | ||
| 200 | K | 42.3 | Very low | 43.7 | Very low | 160 Ų | 160 | 135.5 Ų | 135.5 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | H | α-helix | trans | -81 | -16.9 | -176.9 | -149.2 | 171.9 | -174.5 | 176.6 | 0 | 113.6 | ||
| 201 | V | 48.3 | Very low | 44.2 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | H | α-helix | trans | -88.8 | -34.8 | 180 | -178.9 | 0 | 0 | 0 | 0 | 111.8 | A205 | V201-A205 PolarHBondContact O-N 3.22Å |
| 202 | E | 49.3 | Very low | 44.2 | Very low | 151 Ų | 151 | 138.8 Ų | 138.8 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | H | α-helix | trans | -70.9 | -34.3 | 176.4 | -78.7 | -177.3 | 149.4 | 0 | 0 | 112.5 | A205 A206 | E202-A205 PolarHBondContact O-N 2.85Å; E202-A206 PolarHBondContact O-N 3.31Å |
| 203 | E | 49 | Very low | 44.8 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | H | α-helix | trans | -73.4 | -29.7 | 178.7 | -142.6 | 176.8 | -173.2 | 0 | 0 | 112.8 | ||
| 204 | M | 49 | Very low | 45 | Very low | 152 Ų | 152 | 138.2 Ų | 138.2 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | H | α-helix | trans | -77.7 | -23.6 | 174 | -88.7 | -171.1 | 171.7 | 0 | 0 | 113.7 | ||
| 205 | A | 54.9 | Low | 45.5 | Very low | 81 Ų | 81 | 135.6 Ų | 135.6 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | H | α-helix | trans | -80.8 | -24.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | V201 E202 | V201-A205 PolarHBondContact O-N 3.22Å; E202-A205 PolarHBondContact O-N 2.85Å |
| 206 | A | 57.1 | Low | 46.2 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | 1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E202 | E202-A206 PolarHBondContact O-N 3.31Š|
| 207 | S | 56.1 | Low | 46.8 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | 11.5 | -171.5 | 178.5 | 0 | 0 | 0 | 0 | 115.4 | P209 | S207-P209 WeakPolarHBondContact O-CD 3.45Š|
| 208 | R | 39.6 | Very low | 47.2 | Very low | 233 Ų | 233 | 141.9 Ų | 141.9 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | -96.8 | 119.4 | 172.5 | -79.5 | -170.5 | 179.3 | -167.1 | 1 | 111.7 | ||||
| 209 | P | 42.1 | Very low | 47.5 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -85.4 | 150.2 | 171.5 | 33.1 | -31.2 | 0 | 0 | 0 | 112.6 | S207 | S207-P209 WeakPolarHBondContact O-CD 3.45Š| ||
| 210 | A | 39.8 | Very low | 48 | Very low | 181 Ų | 181 | 138.7 Ų | 138.7 | 100% | 1.496 | 80% | 0.796 | S | S | * | * | trans | 75.1 | 0 | 170 | 0 | 0 | 0 | 0 | 0 | 117.9 |
Retrieved 210 of 210 residues in 150.4 ms
(Link to these results)