| 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 | 72.1 | Confident | 88.4 | Confident | 209 Ų | 209 | 74.8 Ų | 74.8 | 100% | 1.03 | 39% | 0.393 | S | S | * | . | 0 | -58.2 | 0 | -62.7 | -158.3 | -77.3 | 0 | 0 | 113.4 | N3 I4 L5 | M1-N3 VanDerWaalsContact C-N 3.33Å; M1-N3 PolarHBondContact O-N 3.33Å; M1-N3 VanDerWaalsContact O-N 3.16Å; M1-I4 PolarHBondContact O-N 2.98Å; M1-L5 PolarHBondContact O-N 3.31Å | |||
| 2 | A | 81.5 | Confident | 88.9 | Confident | 39 Ų | 39 | 74.2 Ų | 74.2 | 32% | 0.322 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -54.1 | -38.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | I4 L5 F6 | A2-I4 VanDerWaalsContact C-N 3.34Å; A2-I4 PolarHBondContact O-N 3.26Å; A2-L5 PolarHBondContact O-N 2.98Å; A2-F6 HydrophobicContact CB-CE2 4.3Å; A2-F6 HydrophobicContact CB-CZ 4.48Å; A2-F6 WeakPolarHBondContact O-CD2 3.46Å; A2-F6 VanDerWaalsContact O-CG 3.29Å; A2-F6 WeakPolarHBondContact O-CG 3.27Å; A2-F6 PolarHBondContact O-N 3.39Å |
| 3 | N | 84.3 | Confident | 89.4 | Confident | 48 Ų | 48 | 72.1 Ų | 72.1 | 26% | 0.257 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 178.9 | -164.7 | 8.3 | 0 | 0 | 0 | 112.5 | M1 T7 | M1-N3 VanDerWaalsContact C-N 3.33Å; M1-N3 PolarHBondContact O-N 3.33Å; M1-N3 VanDerWaalsContact O-N 3.16Å; N3-T7 WeakPolarHBondContact O-CB 3.36Å; N3-T7 PolarHBondContact O-N 3.18Å; N3-T7 PolarHBondContact O-OG1 2.96Å |
| 4 | I | 87.2 | Confident | 89.8 | Confident | 117 Ų | 117 | 67.2 Ų | 67.2 | 60% | 0.6 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -66.7 | -45.5 | 177.1 | -60.8 | 171.4 | 0 | 0 | 0 | 109.3 | M1 A2 F6 T7 L8 | M1-I4 PolarHBondContact O-N 2.98Å; A2-I4 VanDerWaalsContact C-N 3.34Å; A2-I4 PolarHBondContact O-N 3.26Å; I4-F6 PolarHBondContact O-N 3.3Å; I4-T7 PolarHBondContact O-N 3.32Å; I4-L8 HydrophobicContact CG2-CD1 4.07Å; I4-L8 HydrophobicContact CG2-CG 4.4Å; I4-L8 WeakPolarHBondContact O-CG 3.32Å; I4-L8 PolarHBondContact O-N 2.99Å |
| 5 | L | 91.7 | Very high | 90.2 | Very high | 105 Ų | 105 | 66.5 Ų | 66.5 | 55% | 0.55 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59 | -48.1 | 177.7 | -176.9 | 65.4 | 0 | 0 | 0 | 112 | M1 A2 T7 L8 V9 | M1-L5 PolarHBondContact O-N 3.31Å; A2-L5 PolarHBondContact O-N 2.98Å; L5-T7 VanDerWaalsContact C-N 3.32Å; L5-T7 PolarHBondContact O-N 3.21Å; L5-L8 PolarHBondContact O-N 3.46Å; L5-V9 WeakPolarHBondContact O-CG2 3.4Å; L5-V9 PolarHBondContact O-N 3.46Å |
| 6 | F | 91.9 | Very high | 90.6 | Very high | 40 Ų | 40 | 68.4 Ų | 68.4 | 18% | 0.175 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 177.9 | -61.9 | -26.6 | 0 | 0 | 0 | 112.5 | A2 I4 V9 L10 M264 L267 I268 | A2-F6 HydrophobicContact CB-CE2 4.3Å; A2-F6 HydrophobicContact CB-CZ 4.48Å; A2-F6 WeakPolarHBondContact O-CD2 3.46Å; A2-F6 VanDerWaalsContact O-CG 3.29Å; A2-F6 WeakPolarHBondContact O-CG 3.27Å; A2-F6 PolarHBondContact O-N 3.39Å; I4-F6 PolarHBondContact O-N 3.3Å; F6-V9 PolarHBondContact O-N 2.88Å; F6-L10 VanDerWaalsContact O-CB 3.3Å; F6-L10 WeakPolarHBondContact O-CB 3.49Å; F6-L10 PolarHBondContact O-N 3.47Å; F6-M264 HydrophobicContact CB-CB 4.34Å; F6-M264 HydrophobicContact CB-CG 4.33Å; F6-M264 HydrophobicContact CD1-CE 4.02Å; F6-M264 HydrophobicContact CD1-CG 3.9Å; F6-M264 HydrophobicContact CD1-SD 4.08Å; F6-M264 HydrophobicContact CE1-CE 4.27Å; F6-M264 HydrophobicContact CE1-CG 4.41Å; F6-M264 HydrophobicContact CG-CG 4.11Å; F6-L267 HydrophobicContact CD2-CB 4.43Å; F6-L267 HydrophobicContact CE2-CB 4.4Å; F6-L267 HydrophobicContact CE2-CD1 3.87Å; F6-L267 HydrophobicContact CZ-CD1 4.34Å; F6-I268 HydrophobicContact CB-CD1 3.94Å; F6-I268 HydrophobicContact CB-CG1 4Å |
| 7 | T | 91.3 | Very high | 90.9 | Very high | 32 Ų | 32 | 68 Ų | 68 | 20% | 0.196 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 176 | -57.9 | 0 | 0 | 0 | 0 | 110.9 | N3 I4 L5 F11 S97 | N3-T7 WeakPolarHBondContact O-CB 3.36Å; N3-T7 PolarHBondContact O-N 3.18Å; N3-T7 PolarHBondContact O-OG1 2.96Å; I4-T7 PolarHBondContact O-N 3.32Å; L5-T7 VanDerWaalsContact C-N 3.32Å; L5-T7 PolarHBondContact O-N 3.21Å; T7-F11 VanDerWaalsContact O-CB 3.27Å; T7-F11 WeakPolarHBondContact O-CB 3.33Å; T7-F11 PolarHBondContact O-N 3.42Å; T7-S97 WeakPolarHBondContact CG2-O 3.4Å |
| 8 | L | 92.3 | Very high | 91.2 | Very high | 100 Ų | 100 | 64.7 Ų | 64.7 | 52% | 0.524 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 177.2 | -71.4 | 173.7 | 0 | 0 | 0 | 112.1 | I4 L5 F11 S12 | I4-L8 HydrophobicContact CG2-CD1 4.07Å; I4-L8 HydrophobicContact CG2-CG 4.4Å; I4-L8 WeakPolarHBondContact O-CG 3.32Å; I4-L8 PolarHBondContact O-N 2.99Å; L5-L8 PolarHBondContact O-N 3.46Å; L8-F11 PolarHBondContact O-N 2.83Å; L8-S12 WeakPolarHBondContact O-CB 3.42Å; L8-S12 PolarHBondContact O-N 2.82Å; L8-S12 PolarHBondContact O-OG 3.46Å |
| 9 | V | 93.4 | Very high | 91.5 | Very high | 53 Ų | 53 | 66.2 Ų | 66.2 | 32% | 0.321 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 177.4 | 172.9 | 0 | 0 | 0 | 0 | 110.8 | L5 F6 F11 S12 V13 M264 | L5-V9 WeakPolarHBondContact O-CG2 3.4Å; L5-V9 PolarHBondContact O-N 3.46Å; F6-V9 PolarHBondContact O-N 2.88Å; V9-F11 VanDerWaalsContact C-N 3.32Å; V9-F11 PolarHBondContact O-N 3.28Å; V9-S12 PolarHBondContact O-N 3.47Å; V9-V13 HydrophobicContact CG1-CG2 4.36Å; V9-V13 WeakPolarHBondContact O-CG2 3.4Å; V9-V13 PolarHBondContact O-N 3.46Å; V9-M264 HydrophobicContact CB-SD 4.15Å; V9-M264 HydrophobicContact CG1-CE 4.18Å; V9-M264 HydrophobicContact CG1-SD 3.8Å |
| 10 | L | 93.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 179.4 | -166.9 | 148.4 | 0 | 0 | 0 | 111 | F6 N14 G93 Y108 I261 A265 I268 | F6-L10 VanDerWaalsContact O-CB 3.3Å; F6-L10 WeakPolarHBondContact O-CB 3.49Å; F6-L10 PolarHBondContact O-N 3.47Å; L10-N14 VanDerWaalsContact CD2-ND2 3.27Å; L10-N14 WeakPolarHBondContact CD2-ND2 3.29Å; L10-N14 WeakPolarHBondContact O-CB 3.32Å; L10-N14 PolarHBondContact O-N 2.91Å; L10-N14 PolarHBondContact O-ND2 3.27Å; L10-G93 WeakPolarHBondContact CD2-O 3.47Å; L10-Y108 HydrophobicContact CD1-CE1 3.93Å; L10-Y108 HydrophobicContact CD2-CE1 4.3Å; L10-Y108 HydrophobicContact CG-CE1 4.32Å; L10-I261 HydrophobicContact CD1-CG2 4.47Å; L10-A265 HydrophobicContact CD1-CB 3.91Å; L10-I268 HydrophobicContact CD1-CD1 4.22Å |
| 11 | F | 94.1 | Very high | 91.9 | Very high | 79 Ų | 79 | 63.8 Ų | 63.8 | 35% | 0.346 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -59.6 | -53.5 | 175 | -178.7 | -89.7 | 0 | 0 | 0 | 111.4 | T7 L8 V9 V13 N14 V15 I94 C98 | T7-F11 VanDerWaalsContact O-CB 3.27Å; T7-F11 WeakPolarHBondContact O-CB 3.33Å; T7-F11 PolarHBondContact O-N 3.42Å; L8-F11 PolarHBondContact O-N 2.83Å; V9-F11 VanDerWaalsContact C-N 3.32Å; V9-F11 PolarHBondContact O-N 3.28Å; F11-V13 PolarHBondContact O-N 2.95Å; F11-N14 PolarHBondContact O-N 3.26Å; F11-V15 HydrophobicContact CD1-CG2 4.07Å; F11-V15 HydrophobicContact CE1-CG2 3.72Å; F11-V15 HydrophobicContact CE2-CG2 4.48Å; F11-V15 HydrophobicContact CZ-CG2 3.95Å; F11-V15 WeakPolarHBondContact O-CG2 3.43Å; F11-V15 PolarHBondContact O-N 3.3Å; F11-I94 HydrophobicContact CD2-CG2 4.06Å; F11-I94 HydrophobicContact CE2-CG2 3.71Å; F11-C98 HydrophobicContact CD2-CB 4.49Å |
| 12 | S | 94.1 | Very high | 93.1 | Very high | 67 Ų | 67 | 57.8 Ų | 57.8 | 47% | 0.469 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.7 | -45.1 | -178.2 | -63.9 | 0 | 0 | 0 | 0 | 112.4 | L8 V9 V15 V16 | L8-S12 WeakPolarHBondContact O-CB 3.42Å; L8-S12 PolarHBondContact O-N 2.82Å; L8-S12 PolarHBondContact O-OG 3.46Å; V9-S12 PolarHBondContact O-N 3.47Å; S12-V15 PolarHBondContact O-N 3.46Å; S12-V16 WeakPolarHBondContact O-CG2 3.25Å; S12-V16 PolarHBondContact O-N 2.91Å; S12-V16 VanDerWaalsContact O-N 3.07Å |
| 13 | V | 95.1 | Very high | 93.8 | Very high | 47 Ų | 47 | 58 Ų | 58 | 29% | 0.285 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 178.9 | 176.2 | 0 | 0 | 0 | 0 | 111.2 | V9 F11 V15 V16 V17 I261 | V9-V13 HydrophobicContact CG1-CG2 4.36Å; V9-V13 WeakPolarHBondContact O-CG2 3.4Å; V9-V13 PolarHBondContact O-N 3.46Å; F11-V13 PolarHBondContact O-N 2.95Å; V13-V15 VanDerWaalsContact C-N 3.29Å; V13-V15 PolarHBondContact O-N 3.31Å; V13-V16 PolarHBondContact O-N 2.86Å; V13-V17 HydrophobicContact CG1-CG2 4.02Å; V13-V17 WeakPolarHBondContact O-CB 3.39Å; V13-V17 VanDerWaalsContact O-CG2 3.31Å; V13-V17 WeakPolarHBondContact O-CG2 3.36Å; V13-V17 PolarHBondContact O-N 2.7Å; V13-I261 HydrophobicContact CB-CD1 4.44Å; V13-I261 HydrophobicContact CG1-CD1 3.64Å |
| 14 | N | 95.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.021 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.7 | -28.7 | 178.8 | -77.3 | -79.1 | 0 | 0 | 0 | 112.8 | L10 F11 G18 C90 I94 Y108 | L10-N14 VanDerWaalsContact CD2-ND2 3.27Å; L10-N14 WeakPolarHBondContact CD2-ND2 3.29Å; L10-N14 WeakPolarHBondContact O-CB 3.32Å; L10-N14 PolarHBondContact O-N 2.91Å; L10-N14 PolarHBondContact O-ND2 3.27Å; F11-N14 PolarHBondContact O-N 3.26Å; N14-G18 WeakPolarHBondContact O-CA 3.37Å; N14-G18 PolarHBondContact O-N 2.85Å; N14-C90 HydrophobicContact CB-CB 4.43Å; N14-I94 HydrophobicContact CB-CD1 4.4Å; N14-I94 HydrophobicContact CB-CG1 3.83Å; N14-Y108 PolarHBondContact ND2-OH 3.45Å; N14-Y108 WeakPolarHBondContact OD1-CE2 3.29Å; N14-Y108 PolarHBondContact OD1-OH 3.42Å |
| 15 | V | 96 | Very high | 94.7 | Very high | 57 Ų | 57 | 53.4 Ų | 53.4 | 35% | 0.345 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.5 | -49.4 | 170.7 | 169.6 | 0 | 0 | 0 | 0 | 110.3 | F11 S12 V13 G18 V19 I94 | F11-V15 HydrophobicContact CD1-CG2 4.07Å; F11-V15 HydrophobicContact CE1-CG2 3.72Å; F11-V15 HydrophobicContact CE2-CG2 4.48Å; F11-V15 HydrophobicContact CZ-CG2 3.95Å; F11-V15 WeakPolarHBondContact O-CG2 3.43Å; F11-V15 PolarHBondContact O-N 3.3Å; S12-V15 PolarHBondContact O-N 3.46Å; V13-V15 VanDerWaalsContact C-N 3.29Å; V13-V15 PolarHBondContact O-N 3.31Å; V15-G18 PolarHBondContact O-N 2.9Å; V15-V19 WeakPolarHBondContact O-CG2 3.35Å; V15-V19 PolarHBondContact O-N 3.16Å; V15-I94 HydrophobicContact CG2-CD1 4.02Å; V15-I94 HydrophobicContact CG2-CG1 4.38Å |
| 16 | V | 96 | Very high | 94.8 | Very high | 96 Ų | 96 | 52.7 Ų | 52.7 | 58% | 0.582 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -62 | -50.3 | 179.7 | 174 | 0 | 0 | 0 | 0 | 111.1 | S12 V13 G18 V19 V20 | S12-V16 WeakPolarHBondContact O-CG2 3.25Å; S12-V16 PolarHBondContact O-N 2.91Å; S12-V16 VanDerWaalsContact O-N 3.07Å; V13-V16 PolarHBondContact O-N 2.86Å; V16-G18 VanDerWaalsContact C-N 3.29Å; V16-G18 PolarHBondContact O-N 2.74Å; V16-V19 PolarHBondContact O-N 3.47Å; V16-V20 PolarHBondContact O-N 2.92Å; V16-V20 VanDerWaalsContact O-N 3.15Å |
| 17 | V | 95.7 | Very high | 94.8 | Very high | 62 Ų | 62 | 55.6 Ų | 55.6 | 38% | 0.376 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.8 | -36.2 | 178.4 | 179 | 0 | 0 | 0 | 0 | 111 | V13 V20 G21 I86 | V13-V17 HydrophobicContact CG1-CG2 4.02Å; V13-V17 WeakPolarHBondContact O-CB 3.39Å; V13-V17 VanDerWaalsContact O-CG2 3.31Å; V13-V17 WeakPolarHBondContact O-CG2 3.36Å; V13-V17 PolarHBondContact O-N 2.7Å; V17-V20 PolarHBondContact O-N 3.25Å; V17-G21 PolarHBondContact O-N 3.43Å; V17-I86 HydrophobicContact CG1-CG2 3.87Å |
| 18 | G | 96.2 | Very high | 94.8 | Very high | 9 Ų | 9 | 54.1 Ų | 54.1 | 9% | 0.093 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | N14 V15 V16 V20 G21 L22 | N14-G18 WeakPolarHBondContact O-CA 3.37Å; N14-G18 PolarHBondContact O-N 2.85Å; V15-G18 PolarHBondContact O-N 2.9Å; V16-G18 VanDerWaalsContact C-N 3.29Å; V16-G18 PolarHBondContact O-N 2.74Å; G18-V20 VanDerWaalsContact C-N 3.35Å; G18-G21 PolarHBondContact O-N 3.01Å; G18-L22 WeakPolarHBondContact O-CB 3.46Å; G18-L22 PolarHBondContact O-N 3.06Å |
| 19 | V | 96.9 | Very high | 94.8 | Very high | 93 Ų | 93 | 49.8 Ų | 49.8 | 56% | 0.564 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.1 | -41.8 | 173 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | V15 V16 L22 A23 | V15-V19 WeakPolarHBondContact O-CG2 3.35Å; V15-V19 PolarHBondContact O-N 3.16Å; V16-V19 PolarHBondContact O-N 3.47Å; V19-L22 PolarHBondContact O-N 3.24Å; V19-A23 WeakPolarHBondContact O-CB 3.46Å; V19-A23 PolarHBondContact O-N 3.47Å |
| 20 | V | 95.5 | Very high | 94.7 | Very high | 82 Ų | 82 | 50.9 Ų | 50.9 | 50% | 0.497 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 174.9 | 176.3 | 0 | 0 | 0 | 0 | 111 | V16 V17 G18 L22 A23 L24 | V16-V20 PolarHBondContact O-N 2.92Å; V16-V20 VanDerWaalsContact O-N 3.15Å; V17-V20 PolarHBondContact O-N 3.25Å; G18-V20 VanDerWaalsContact C-N 3.35Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-L22 PolarHBondContact O-N 2.93Å; V20-A23 PolarHBondContact O-N 3.33Å; V20-L24 HydrophobicContact CG1-CD1 4.28Å; V20-L24 WeakPolarHBondContact O-CG 3.42Å; V20-L24 PolarHBondContact O-N 3.4Å |
| 21 | G | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.4 | -42 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V17 G18 L24 A25 | V17-G21 PolarHBondContact O-N 3.43Å; G18-G21 PolarHBondContact O-N 3.01Å; G21-L24 PolarHBondContact O-N 2.93Å; G21-A25 WeakPolarHBondContact O-CB 3.46Å; G21-A25 PolarHBondContact O-N 2.68Å |
| 22 | L | 96.9 | Very high | 94 | Very high | 83 Ų | 83 | 49.7 Ų | 49.7 | 44% | 0.435 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 174.6 | -177.3 | 60.6 | 0 | 0 | 0 | 111.5 | G18 V19 V20 L24 A25 I26 L87 | G18-L22 WeakPolarHBondContact O-CB 3.46Å; G18-L22 PolarHBondContact O-N 3.06Å; V19-L22 PolarHBondContact O-N 3.24Å; V20-L22 VanDerWaalsContact C-N 3.34Å; V20-L22 PolarHBondContact O-N 2.93Å; L22-L24 VanDerWaalsContact C-N 3.35Å; L22-L24 PolarHBondContact O-N 3.43Å; L22-A25 PolarHBondContact O-N 3.34Å; L22-I26 HydrophobicContact CD1-CD1 4.01Å; L22-I26 HydrophobicContact CD1-CG1 4.27Å; L22-I26 HydrophobicContact CG-CD1 3.85Å; L22-I26 HydrophobicContact CG-CG1 4.49Å; L22-I26 VanDerWaalsContact O-CG1 3.29Å; L22-I26 WeakPolarHBondContact O-CG1 3.32Å; L22-I26 PolarHBondContact O-N 3.2Å; L22-L87 HydrophobicContact CB-CD1 3.92Å; L22-L87 HydrophobicContact CD1-CD1 4.4Å |
| 23 | A | 95.9 | Very high | 93.6 | Very high | 44 Ų | 44 | 54.6 Ų | 54.6 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V19 V20 A25 I26 L27 | V19-A23 WeakPolarHBondContact O-CB 3.46Å; V19-A23 PolarHBondContact O-N 3.47Å; V20-A23 PolarHBondContact O-N 3.33Å; A23-A25 PolarHBondContact O-N 3.45Å; A23-I26 PolarHBondContact O-N 2.89Å; A23-L27 VanDerWaalsContact O-CB 3.3Å; A23-L27 WeakPolarHBondContact O-CB 3.32Å; A23-L27 WeakPolarHBondContact O-CG 3.35Å; A23-L27 PolarHBondContact O-N 3.47Å |
| 24 | L | 95.1 | Very high | 93.2 | Very high | 61 Ų | 61 | 53.7 Ų | 53.7 | 32% | 0.319 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 175.7 | -70.3 | 174.7 | 0 | 0 | 0 | 112.4 | V20 G21 L22 G28 I79 I86 | V20-L24 HydrophobicContact CG1-CD1 4.28Å; V20-L24 WeakPolarHBondContact O-CG 3.42Å; V20-L24 PolarHBondContact O-N 3.4Å; G21-L24 PolarHBondContact O-N 2.93Å; L22-L24 VanDerWaalsContact C-N 3.35Å; L22-L24 PolarHBondContact O-N 3.43Å; L24-G28 PolarHBondContact O-N 3Å; L24-I79 HydrophobicContact CD2-CG2 4.31Å; L24-I86 HydrophobicContact CD1-CD1 4.34Å |
| 25 | A | 95.9 | Very high | 92.4 | Very high | 6 Ų | 6 | 58.7 Ų | 58.7 | 5% | 0.05 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66 | -44.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G21 L22 A23 G29 F80 L84 | G21-A25 WeakPolarHBondContact O-CB 3.46Å; G21-A25 PolarHBondContact O-N 2.68Å; L22-A25 PolarHBondContact O-N 3.34Å; A23-A25 PolarHBondContact O-N 3.45Å; A25-G29 PolarHBondContact O-N 3.23Å; A25-F80 HydrophobicContact CB-CD2 4.43Å; A25-F80 HydrophobicContact CB-CE2 4.47Å; A25-F80 WeakPolarHBondContact O-CD2 3.2Å; A25-L84 HydrophobicContact CB-CD2 4.04Å; A25-L84 HydrophobicContact CB-CG 4.39Å |
| 26 | I | 94.3 | Very high | 91.7 | Very high | 90 Ų | 90 | 59.1 Ų | 59.1 | 46% | 0.462 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.1 | -49.9 | 177.3 | -68.1 | 168.6 | 0 | 0 | 0 | 110.1 | L22 A23 G29 L30 | L22-I26 HydrophobicContact CD1-CD1 4.01Å; L22-I26 HydrophobicContact CD1-CG1 4.27Å; L22-I26 HydrophobicContact CG-CD1 3.85Å; L22-I26 HydrophobicContact CG-CG1 4.49Å; L22-I26 VanDerWaalsContact O-CG1 3.29Å; L22-I26 WeakPolarHBondContact O-CG1 3.32Å; L22-I26 PolarHBondContact O-N 3.2Å; A23-I26 PolarHBondContact O-N 2.89Å; I26-G29 PolarHBondContact O-N 2.88Å; I26-L30 HydrophobicContact CG2-CD1 3.74Å; I26-L30 HydrophobicContact CG2-CG 4.25Å; I26-L30 WeakPolarHBondContact O-CB 3.47Å; I26-L30 WeakPolarHBondContact O-CG 3.24Å; I26-L30 PolarHBondContact O-N 2.91Å |
| 27 | L | 91.5 | Very high | 91 | Very high | 101 Ų | 101 | 55.6 Ų | 55.6 | 53% | 0.529 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.7 | -46.6 | -179.4 | -69.1 | 172.8 | 0 | 0 | 0 | 111.8 | A23 G29 L30 M31 | A23-L27 VanDerWaalsContact O-CB 3.3Å; A23-L27 WeakPolarHBondContact O-CB 3.32Å; A23-L27 WeakPolarHBondContact O-CG 3.35Å; A23-L27 PolarHBondContact O-N 3.47Å; L27-G29 VanDerWaalsContact C-N 3.34Å; L27-G29 PolarHBondContact O-N 3.5Å; L27-L30 PolarHBondContact O-N 3.39Å; L27-M31 WeakPolarHBondContact O-CB 3.28Å; L27-M31 VanDerWaalsContact O-CG 3.27Å; L27-M31 WeakPolarHBondContact O-CG 3.47Å; L27-M31 PolarHBondContact O-N 2.89Å |
| 28 | G | 91.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L24 M31 T32 | L24-G28 PolarHBondContact O-N 3Å; G28-M31 PolarHBondContact O-N 3.37Å; G28-T32 WeakPolarHBondContact O-CB 3.3Å; G28-T32 PolarHBondContact O-N 3.42Å; G28-T32 PolarHBondContact O-OG1 3.25Å |
| 29 | G | 92.3 | Very high | 88.9 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 10% | 0.103 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.1 | -45.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | A25 I26 L27 M31 T32 W33 | A25-G29 PolarHBondContact O-N 3.23Å; I26-G29 PolarHBondContact O-N 2.88Å; L27-G29 VanDerWaalsContact C-N 3.34Å; L27-G29 PolarHBondContact O-N 3.5Å; G29-M31 VanDerWaalsContact C-N 3.32Å; G29-M31 PolarHBondContact O-N 2.9Å; G29-T32 PolarHBondContact O-N 3.26Å; G29-T32 VanDerWaalsContact O-N 3.12Å; G29-W33 PolarHBondContact O-N 2.85Å |
| 30 | L | 90.7 | Very high | 88 | Confident | 76 Ų | 76 | 60 Ų | 60 | 40% | 0.398 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 174.5 | -73.2 | 174.9 | 0 | 0 | 0 | 111.3 | I26 L27 T32 S34 A37 | I26-L30 HydrophobicContact CG2-CD1 3.74Å; I26-L30 HydrophobicContact CG2-CG 4.25Å; I26-L30 WeakPolarHBondContact O-CB 3.47Å; I26-L30 WeakPolarHBondContact O-CG 3.24Å; I26-L30 PolarHBondContact O-N 2.91Å; L27-L30 PolarHBondContact O-N 3.39Å; L30-T32 VanDerWaalsContact C-N 3.28Å; L30-T32 PolarHBondContact O-N 3.01Å; L30-S34 WeakPolarHBondContact O-CA 3.22Å; L30-S34 WeakPolarHBondContact O-CB 3.41Å; L30-S34 PolarHBondContact O-N 3.16Å; L30-A37 HydrophobicContact CB-CB 3.96Å; L30-A37 HydrophobicContact CD2-CB 4.4Å |
| 31 | M | 85.4 | Confident | 87.2 | Confident | 40 Ų | 40 | 60.5 Ų | 60.5 | 20% | 0.197 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.9 | -22.6 | 177.6 | -72.5 | -178.5 | 63.7 | 0 | 0 | 114 | L27 G28 G29 T38 F42 S72 | L27-M31 WeakPolarHBondContact O-CB 3.28Å; L27-M31 VanDerWaalsContact O-CG 3.27Å; L27-M31 WeakPolarHBondContact O-CG 3.47Å; L27-M31 PolarHBondContact O-N 2.89Å; G28-M31 PolarHBondContact O-N 3.37Å; G29-M31 VanDerWaalsContact C-N 3.32Å; G29-M31 PolarHBondContact O-N 2.9Å; M31-T38 PolarHBondContact O-OG1 3.25Å; M31-F42 HydrophobicContact CE-CD2 3.97Å; M31-F42 HydrophobicContact CE-CE2 3.25Å; M31-F42 HydrophobicContact CE-CZ 3.95Å; M31-F42 HydrophobicContact SD-CE2 3.85Å; M31-S72 PolarHBondContact O-OG 3.49Å |
| 32 | T | 87.8 | Confident | 86.1 | Confident | 14 Ų | 14 | 63.3 Ų | 63.3 | 9% | 0.086 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -83.1 | -38.7 | 178.8 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | G28 G29 L30 S76 R77 | G28-T32 WeakPolarHBondContact O-CB 3.3Å; G28-T32 PolarHBondContact O-N 3.42Å; G28-T32 PolarHBondContact O-OG1 3.25Å; G29-T32 PolarHBondContact O-N 3.26Å; G29-T32 VanDerWaalsContact O-N 3.12Å; L30-T32 VanDerWaalsContact C-N 3.28Å; L30-T32 PolarHBondContact O-N 3.01Å; T32-S76 PolarHBondContact N-OG 3.46Å; T32-S76 PolarHBondContact OG1-OG 3.41Å; T32-R77 HydrophobicContact CG2-CG 3.69Å |
| 33 | W | 86.3 | Confident | 84.8 | Confident | 170 Ų | 170 | 60.2 Ų | 60.2 | 64% | 0.644 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -122.6 | -18.1 | -168.2 | -64.1 | -69.7 | 0 | 0 | 0 | 115.2 | G29 F80 | G29-W33 PolarHBondContact O-N 2.85Å; W33-F80 AromaticContact CH2-CD1 3.82Å; W33-F80 HydrophobicContact CH2-CD1 3.82Å; W33-F80 AromaticContact CH2-CE1 3.7Å; W33-F80 HydrophobicContact CH2-CE1 3.7Å; W33-F80 HydrophobicContact CH2-CG 4.35Å; W33-F80 HydrophobicContact CH2-CZ 4.15Å; W33-F80 HydrophobicContact CZ3-CD1 4.09Å; W33-F80 HydrophobicContact CZ3-CD2 4.24Å; W33-F80 AromaticContact CZ3-CE1 3.96Å; W33-F80 HydrophobicContact CZ3-CE1 3.96Å; W33-F80 HydrophobicContact CZ3-CE2 4.12Å; W33-F80 HydrophobicContact CZ3-CG 4.22Å; W33-F80 AromaticContact CZ3-CZ 3.97Å; W33-F80 HydrophobicContact CZ3-CZ 3.97Å |
| 34 | S | 85.7 | Confident | 83.6 | Confident | 28 Ų | 28 | 66.2 Ų | 66.2 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | trans | -99.8 | 109.4 | -175.7 | -178.9 | 0 | 0 | 0 | 0 | 112.5 | L30 S36 A37 T38 L69 | L30-S34 WeakPolarHBondContact O-CA 3.22Å; L30-S34 WeakPolarHBondContact O-CB 3.41Å; L30-S34 PolarHBondContact O-N 3.16Å; S34-S36 VanDerWaalsContact C-N 3.33Å; S34-S36 PolarHBondContact O-N 3.31Å; S34-S36 PolarHBondContact OG-OG 2.95Å; S34-A37 PolarHBondContact O-N 3.38Å; S34-A37 WeakPolarHBondContact OG-CB 3.33Å; S34-A37 PolarHBondContact OG-N 3.46Å; S34-T38 WeakPolarHBondContact O-CB 3.4Å; S34-T38 PolarHBondContact O-N 3.06Å; S34-T38 VanDerWaalsContact O-N 3.1Å; S34-T38 PolarHBondContact O-OG1 3.42Å; S34-L69 WeakPolarHBondContact O-CD2 3.31Å | ||
| 35 | K | 79.3 | Confident | 82.5 | Confident | 109 Ų | 109 | 67.5 Ų | 67.5 | 47% | 0.474 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -55.1 | -49.1 | 174.7 | -48.4 | -138.8 | 174.8 | 173.5 | 0 | 111.5 | T38 T39 A65 D66 L69 | K35-T38 PolarHBondContact O-N 2.93Å; K35-T39 WeakPolarHBondContact O-CG2 3.27Å; K35-T39 PolarHBondContact O-N 3.22Å; K35-T39 PolarHBondContact O-OG1 2.8Å; K35-T39 VanDerWaalsContact O-OG1 3.07Å; K35-A65 HydrophobicContact CB-CB 4.48Å; K35-D66 VanDerWaalsContact CE-OD1 3.26Å; K35-D66 WeakPolarHBondContact CE-OD1 3.12Å; K35-D66 IonicContact NZ-OD1 3.43Å; K35-D66 PolarHBondContact NZ-OD1 2.76Å; K35-D66 IonicContact NZ-OD2 2.65Å; K35-L69 HydrophobicContact CB-CD1 3.6Å; K35-L69 HydrophobicContact CB-CG 4.48Å; K35-L69 HydrophobicContact CD-CD1 3.45Å; K35-L69 VanDerWaalsContact CD-CD1 3.45Å; K35-L69 HydrophobicContact CG-CD1 3.24Å; K35-L69 HydrophobicContact CG-CG 4.47Å |
| 36 | S | 80.6 | Confident | 81.4 | Confident | 67 Ų | 67 | 69 Ų | 69 | 47% | 0.469 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -69 | -37.2 | -175.2 | 57.1 | 0 | 0 | 0 | 0 | 113.1 | S34 T39 R40 | S34-S36 VanDerWaalsContact C-N 3.33Å; S34-S36 PolarHBondContact O-N 3.31Å; S34-S36 PolarHBondContact OG-OG 2.95Å; S36-T39 PolarHBondContact O-OG1 2.91Å; S36-R40 WeakPolarHBondContact O-CB 3.3Å; S36-R40 VanDerWaalsContact O-CG 3.23Å; S36-R40 WeakPolarHBondContact O-CG 3.35Å; S36-R40 PolarHBondContact O-N 3.25Å; S36-R40 VanDerWaalsContact O-N 3.15Å |
| 37 | A | 80.7 | Confident | 80.3 | Confident | 21 Ų | 21 | 65.6 Ų | 65.6 | 17% | 0.174 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.8 | -46.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L30 S34 T39 R40 T41 | L30-A37 HydrophobicContact CB-CB 3.96Å; L30-A37 HydrophobicContact CD2-CB 4.4Å; S34-A37 PolarHBondContact O-N 3.38Å; S34-A37 WeakPolarHBondContact OG-CB 3.33Å; S34-A37 PolarHBondContact OG-N 3.46Å; A37-T39 PolarHBondContact O-N 2.92Å; A37-R40 PolarHBondContact O-N 3.42Å; A37-T41 PolarHBondContact O-N 3.42Å; A37-T41 PolarHBondContact O-OG1 2.92Å; A37-T41 VanDerWaalsContact O-OG1 3.13Å |
| 38 | T | 73.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.3 | -46.5 | -179.1 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | M31 S34 K35 R40 T41 F42 T68 L69 S72 | M31-T38 PolarHBondContact O-OG1 3.25Å; S34-T38 WeakPolarHBondContact O-CB 3.4Å; S34-T38 PolarHBondContact O-N 3.06Å; S34-T38 VanDerWaalsContact O-N 3.1Å; S34-T38 PolarHBondContact O-OG1 3.42Å; K35-T38 PolarHBondContact O-N 2.93Å; T38-R40 VanDerWaalsContact C-N 3.35Å; T38-R40 PolarHBondContact O-N 3.46Å; T38-T41 PolarHBondContact O-N 2.94Å; T38-F42 WeakPolarHBondContact O-CB 3.29Å; T38-F42 PolarHBondContact O-N 3Å; T38-T68 HydrophobicContact CG2-CG2 3.55Å; T38-L69 HydrophobicContact CG2-CD2 4.23Å; T38-L69 HydrophobicContact CG2-CG 4.42Å; T38-L69 WeakPolarHBondContact OG1-CD2 3.47Å; T38-S72 VanDerWaalsContact CG2-OG 3.25Å; T38-S72 WeakPolarHBondContact CG2-OG 3.44Å |
| 39 | T | 74.4 | Confident | 78.8 | Confident | 46 Ų | 46 | 70.6 Ų | 70.6 | 28% | 0.282 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -66.2 | -34.3 | 177.6 | 53 | 0 | 0 | 0 | 0 | 112.8 | K35 S36 A37 G43 A65 | K35-T39 WeakPolarHBondContact O-CG2 3.27Å; K35-T39 PolarHBondContact O-N 3.22Å; K35-T39 PolarHBondContact O-OG1 2.8Å; K35-T39 VanDerWaalsContact O-OG1 3.07Å; S36-T39 PolarHBondContact O-OG1 2.91Å; A37-T39 PolarHBondContact O-N 2.92Å; T39-G43 WeakPolarHBondContact O-CA 3.27Å; T39-G43 PolarHBondContact O-N 3.31Å; T39-A65 HydrophobicContact CG2-CB 3.55Å |
| 40 | R | 79.7 | Confident | 78 | Confident | 212 Ų | 212 | 70.2 Ų | 70.2 | 80% | 0.8 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -68.5 | -43.6 | 176 | -76 | 176.6 | -179.9 | -176.4 | 0.7 | 113 | S36 A37 T38 | S36-R40 WeakPolarHBondContact O-CB 3.3Å; S36-R40 VanDerWaalsContact O-CG 3.23Å; S36-R40 WeakPolarHBondContact O-CG 3.35Å; S36-R40 PolarHBondContact O-N 3.25Å; S36-R40 VanDerWaalsContact O-N 3.15Å; A37-R40 PolarHBondContact O-N 3.42Å; T38-R40 VanDerWaalsContact C-N 3.35Å; T38-R40 PolarHBondContact O-N 3.46Å |
| 41 | T | 76.8 | Confident | 77.3 | Confident | 91 Ų | 91 | 73.1 Ų | 73.1 | 56% | 0.558 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -75.7 | -37.5 | -176.5 | -55.2 | 0 | 0 | 0 | 0 | 112.3 | A37 T38 | A37-T41 PolarHBondContact O-N 3.42Å; A37-T41 PolarHBondContact O-OG1 2.92Å; A37-T41 VanDerWaalsContact O-OG1 3.13Å; T38-T41 PolarHBondContact O-N 2.94Å |
| 42 | F | 73.7 | Confident | 77 | Confident | 60 Ų | 60 | 73.1 Ų | 73.1 | 26% | 0.263 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -118.7 | -12.9 | -166.8 | -82.5 | -66.9 | 0 | 0 | 0 | 112.7 | M31 T38 E44 I45 W46 T68 | M31-F42 HydrophobicContact CE-CD2 3.97Å; M31-F42 HydrophobicContact CE-CE2 3.25Å; M31-F42 HydrophobicContact CE-CZ 3.95Å; M31-F42 HydrophobicContact SD-CE2 3.85Å; T38-F42 WeakPolarHBondContact O-CB 3.29Å; T38-F42 PolarHBondContact O-N 3Å; F42-E44 VanDerWaalsContact C-N 3.32Å; F42-E44 PolarHBondContact O-N 2.98Å; F42-I45 HydrophobicContact CD1-CD1 4.32Å; F42-I45 PolarHBondContact O-N 2.94Å; F42-I45 VanDerWaalsContact O-N 3.13Å; F42-W46 AromaticContact CD1-NE1 3.8Å; F42-W46 VanDerWaalsContact O-CD1 3.22Å; F42-W46 PolarHBondContact O-N 3.04Å; F42-T68 HydrophobicContact CB-CG2 4.05Å |
| 43 | G | 69.3 | Low | 76.3 | Confident | 18 Ų | 18 | 72.6 Ų | 72.6 | 19% | 0.186 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.7 | -30.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T39 G47 | T39-G43 WeakPolarHBondContact O-CA 3.27Å; T39-G43 PolarHBondContact O-N 3.31Å; G43-G47 WeakPolarHBondContact O-CA 3.43Å; G43-G47 PolarHBondContact O-N 3.2Å |
| 44 | E | 71.7 | Confident | 75.6 | Confident | 170 Ų | 170 | 66.7 Ų | 66.7 | 79% | 0.794 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -71 | -42.5 | 174.1 | -67.6 | -175.2 | 173.4 | 0 | 0 | 112.1 | F42 | F42-E44 VanDerWaalsContact C-N 3.32Å; F42-E44 PolarHBondContact O-N 2.98Å |
| 45 | I | 71.3 | Confident | 74.6 | Confident | 88 Ų | 88 | 67 Ų | 67 | 45% | 0.451 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.7 | -53.8 | 179.8 | -63.7 | 172 | 0 | 0 | 0 | 108.7 | F42 Y49 | F42-I45 HydrophobicContact CD1-CD1 4.32Å; F42-I45 PolarHBondContact O-N 2.94Å; F42-I45 VanDerWaalsContact O-N 3.13Å; I45-Y49 WeakPolarHBondContact O-CD2 3.36Å |
| 46 | W | 72.3 | Confident | 73.6 | Confident | 36 Ų | 36 | 63.6 Ų | 63.6 | 14% | 0.136 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -75.6 | -30.1 | -177.4 | -70.4 | 96.1 | 0 | 0 | 0 | 112.8 | F42 R48 Y49 L50 T68 M71 I159 L163 | F42-W46 AromaticContact CD1-NE1 3.8Å; F42-W46 VanDerWaalsContact O-CD1 3.22Å; F42-W46 PolarHBondContact O-N 3.04Å; W46-R48 VanDerWaalsContact C-N 3.33Å; W46-R48 PolarHBondContact O-N 3.22Å; W46-Y49 CarbonylContact O-C 3.59Å; W46-Y49 PolarHBondContact O-N 3.1Å; W46-L50 HydrophobicContact CB-CD1 3.94Å; W46-L50 HydrophobicContact CB-CG 4.38Å; W46-L50 WeakPolarHBondContact O-CB 3.39Å; W46-L50 VanDerWaalsContact O-CG 3.22Å; W46-L50 WeakPolarHBondContact O-CG 3.39Å; W46-L50 PolarHBondContact O-N 3.06Å; W46-T68 HydrophobicContact CB-CG2 4.42Å; W46-T68 HydrophobicContact CG-CG2 4.22Å; W46-M71 HydrophobicContact CH2-CE 3.52Å; W46-M71 HydrophobicContact CZ2-CE 4.06Å; W46-M71 HydrophobicContact CZ3-CE 4.07Å; W46-I159 HydrophobicContact CE3-CG2 4.13Å; W46-I159 HydrophobicContact CH2-CG2 3.82Å; W46-I159 HydrophobicContact CZ3-CG2 3.21Å; W46-L163 HydrophobicContact CH2-CD1 3.36Å; W46-L163 HydrophobicContact CZ2-CD1 4.33Å; W46-L163 HydrophobicContact CZ3-CD1 3.52Å; W46-L163 HydrophobicContact CZ3-CG 4.35Å |
| 47 | G | 71.7 | Confident | 72.3 | Confident | 19 Ų | 19 | 66.3 Ų | 66.3 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -55.5 | -46.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | G43 Y49 L50 E51 | G43-G47 WeakPolarHBondContact O-CA 3.43Å; G43-G47 PolarHBondContact O-N 3.2Å; G47-Y49 VanDerWaalsContact C-N 3.31Å; G47-Y49 PolarHBondContact O-N 3.4Å; G47-L50 PolarHBondContact O-N 3.24Å; G47-E51 VanDerWaalsContact O-CB 3.3Å; G47-E51 WeakPolarHBondContact O-CB 3.46Å; G47-E51 PolarHBondContact O-N 3.06Å |
| 48 | R | 76.6 | Confident | 70.9 | Confident | 160 Ų | 160 | 70 Ų | 70 | 60% | 0.604 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.1 | -38.9 | 175.7 | -69.9 | -168.3 | -70.8 | 177 | -4.7 | 113.1 | W46 K52 | W46-R48 VanDerWaalsContact C-N 3.33Å; W46-R48 PolarHBondContact O-N 3.22Å; R48-K52 WeakPolarHBondContact O-CG 3.33Å; R48-K52 PolarHBondContact O-N 3.33Å |
| 49 | Y | 76.1 | Confident | 69.8 | Low | 47 Ų | 47 | 73.8 Ų | 73.8 | 18% | 0.184 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -74.1 | -42.5 | 177.4 | -69.8 | -78.6 | 0 | 0 | 0 | 111.9 | I45 W46 G47 K52 M53 L163 M166 L212 | I45-Y49 WeakPolarHBondContact O-CD2 3.36Å; W46-Y49 CarbonylContact O-C 3.59Å; W46-Y49 PolarHBondContact O-N 3.1Å; G47-Y49 VanDerWaalsContact C-N 3.31Å; G47-Y49 PolarHBondContact O-N 3.4Å; Y49-K52 PolarHBondContact O-N 3.32Å; Y49-M53 WeakPolarHBondContact O-CE 3.4Å; Y49-M53 WeakPolarHBondContact O-CG 3.41Å; Y49-M53 PolarHBondContact O-N 2.98Å; Y49-L163 HydrophobicContact CD1-CD2 3.42Å; Y49-L163 VanDerWaalsContact CD1-CD2 3.42Å; Y49-L163 HydrophobicContact CD2-CD2 4.03Å; Y49-L163 HydrophobicContact CE1-CD2 3.1Å; Y49-L163 HydrophobicContact CE2-CD2 3.8Å; Y49-L163 HydrophobicContact CG-CD2 3.88Å; Y49-M166 HydrophobicContact CD1-CE 3.96Å; Y49-M166 HydrophobicContact CE1-CE 3.79Å; Y49-L212 HydrophobicContact CD1-CD1 3.58Å; Y49-L212 HydrophobicContact CD1-CD2 4.31Å; Y49-L212 HydrophobicContact CD2-CD1 4.46Å; Y49-L212 HydrophobicContact CE1-CD1 3.38Å; Y49-L212 HydrophobicContact CE1-CD2 3.43Å; Y49-L212 VanDerWaalsContact CE1-CD2 3.43Å; Y49-L212 HydrophobicContact CE1-CG 4.05Å; Y49-L212 HydrophobicContact CE2-CD1 4.29Å; Y49-L212 HydrophobicContact CG-CD1 4.13Å |
| 50 | L | 75 | Confident | 68.9 | Low | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.4 | -38.4 | -179 | -69.6 | 171.1 | 0 | 0 | 0 | 112 | W46 G47 M53 N54 L55 I64 V67 | W46-L50 HydrophobicContact CB-CD1 3.94Å; W46-L50 HydrophobicContact CB-CG 4.38Å; W46-L50 WeakPolarHBondContact O-CB 3.39Å; W46-L50 VanDerWaalsContact O-CG 3.22Å; W46-L50 WeakPolarHBondContact O-CG 3.39Å; W46-L50 PolarHBondContact O-N 3.06Å; G47-L50 PolarHBondContact O-N 3.24Å; L50-M53 HydrophobicContact CD2-CE 3.74Å; L50-M53 HydrophobicContact CG-CE 4.25Å; L50-M53 PolarHBondContact O-N 3.3Å; L50-N54 PolarHBondContact O-N 2.93Å; L50-L55 HydrophobicContact CD2-CD1 3.75Å; L50-I64 HydrophobicContact CD1-CB 4.33Å; L50-I64 HydrophobicContact CD1-CG1 4.34Å; L50-I64 HydrophobicContact CD1-CG2 3.75Å; L50-V67 HydrophobicContact CD2-CB 4.32Å; L50-V67 HydrophobicContact CD2-CG1 3.69Å |
| 51 | E | 76.2 | Confident | 67.8 | Low | 137 Ų | 137 | 73 Ų | 73 | 64% | 0.64 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.1 | -46.7 | 172.4 | -172.7 | -177.6 | 176.2 | 0 | 0 | 111 | G47 M53 N54 | G47-E51 VanDerWaalsContact O-CB 3.3Å; G47-E51 WeakPolarHBondContact O-CB 3.46Å; G47-E51 PolarHBondContact O-N 3.06Å; E51-M53 VanDerWaalsContact C-N 3.26Å; E51-M53 PolarHBondContact O-N 3.42Å; E51-N54 PolarHBondContact O-N 3.38Å |
| 52 | K | 77.8 | Confident | 67.1 | Low | 40 Ų | 40 | 74.9 Ų | 74.9 | 17% | 0.174 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -65.3 | -26.7 | 176.9 | -66.4 | -70.3 | 177 | -176.3 | 0 | 113.1 | R48 Y49 N54 W191 N192 | R48-K52 WeakPolarHBondContact O-CG 3.33Å; R48-K52 PolarHBondContact O-N 3.33Å; Y49-K52 PolarHBondContact O-N 3.32Å; K52-N54 VanDerWaalsContact C-N 3.31Å; K52-N54 PolarHBondContact O-N 3.46Å; K52-W191 HydrophobicContact CB-CD2 4.32Å; K52-W191 HydrophobicContact CB-CE3 4.15Å; K52-W191 HydrophobicContact CB-CH2 3.63Å; K52-W191 HydrophobicContact CB-CZ2 3.79Å; K52-W191 HydrophobicContact CB-CZ3 3.81Å; K52-W191 HydrophobicContact CD-CZ2 4.45Å; K52-W191 HydrophobicContact CG-CH2 4.29Å; K52-W191 HydrophobicContact CG-CZ2 4.13Å; K52-W191 CarbonylContact O-C 3.59Å; K52-W191 WeakPolarHBondContact O-CA 3.4Å; K52-N192 HydrophobicContact CD-CB 4.26Å; K52-N192 WeakPolarHBondContact CD-OD1 3.34Å; K52-N192 PolarHBondContact NZ-OD1 2.95Å; K52-N192 PolarHBondContact O-N 3.47Å |
| 53 | M | 73.7 | Confident | 66.7 | Low | 3 Ų | 3 | 73.5 Ų | 73.5 | 2% | 0.015 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -5.6 | 177.6 | -68.9 | -176.7 | -97 | 0 | 0 | 114.3 | Y49 L50 E51 L55 I151 I159 W191 | Y49-M53 WeakPolarHBondContact O-CE 3.4Å; Y49-M53 WeakPolarHBondContact O-CG 3.41Å; Y49-M53 PolarHBondContact O-N 2.98Å; L50-M53 HydrophobicContact CD2-CE 3.74Å; L50-M53 HydrophobicContact CG-CE 4.25Å; L50-M53 PolarHBondContact O-N 3.3Å; E51-M53 VanDerWaalsContact C-N 3.26Å; E51-M53 PolarHBondContact O-N 3.42Å; M53-L55 HydrophobicContact CB-CD1 3.9Å; M53-L55 HydrophobicContact CB-CG 3.89Å; M53-L55 HydrophobicContact CE-CD1 4.41Å; M53-L55 PolarHBondContact O-N 2.84Å; M53-L55 VanDerWaalsContact O-N 3.12Å; M53-L55 HydrophobicContact SD-CD1 3.91Å; M53-I151 HydrophobicContact CG-CD1 4.48Å; M53-I151 HydrophobicContact CG-CG1 3.84Å; M53-I151 HydrophobicContact CG-CG2 4.24Å; M53-I151 HydrophobicContact SD-CB 4.49Å; M53-I151 HydrophobicContact SD-CD1 4.47Å; M53-I151 HydrophobicContact SD-CG1 3.56Å; M53-I151 VanDerWaalsContact SD-CG1 3.56Å; M53-I159 HydrophobicContact CE-CD1 4.32Å; M53-I159 HydrophobicContact CE-CG1 4.28Å; M53-I159 HydrophobicContact CE-CG2 4.34Å; M53-I159 HydrophobicContact SD-CD1 4.35Å; M53-I159 HydrophobicContact SD-CG1 4Å; M53-W191 HydrophobicContact CG-CZ3 4.32Å |
| 54 | N | 71.7 | Confident | 66.6 | Low | 46 Ų | 46 | 74.8 Ų | 74.8 | 25% | 0.246 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 29.4 | -174.7 | -150.6 | 21.6 | 0 | 0 | 0 | 114.3 | L50 E51 K52 T56 N57 V190 | L50-N54 PolarHBondContact O-N 2.93Å; E51-N54 PolarHBondContact O-N 3.38Å; K52-N54 VanDerWaalsContact C-N 3.31Å; K52-N54 PolarHBondContact O-N 3.46Å; N54-T56 PolarHBondContact O-N 3.34Å; N54-T56 VanDerWaalsContact O-N 3.09Å; N54-N57 PolarHBondContact ND2-ND2 3.49Å; N54-V190 HydrophobicContact CB-CG1 3.58Å |
| 55 | L | 65.6 | Low | 66.5 | Low | 34 Ų | 34 | 67.2 Ų | 67.2 | 18% | 0.178 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 0.3 | 176.5 | -75.6 | 170.7 | 0 | 0 | 0 | 112.6 | L50 M53 T63 S152 | L50-L55 HydrophobicContact CD2-CD1 3.75Å; M53-L55 HydrophobicContact CB-CD1 3.9Å; M53-L55 HydrophobicContact CB-CG 3.89Å; M53-L55 HydrophobicContact CE-CD1 4.41Å; M53-L55 PolarHBondContact O-N 2.84Å; M53-L55 VanDerWaalsContact O-N 3.12Å; M53-L55 HydrophobicContact SD-CD1 3.91Å; L55-T63 VanDerWaalsContact O-CG2 3.27Å; L55-T63 WeakPolarHBondContact O-CG2 3.46Å; L55-S152 WeakPolarHBondContact CD2-O 3.22Å |
| 56 | T | 58.4 | Low | 66.6 | Low | 38 Ų | 38 | 66.4 Ų | 66.4 | 23% | 0.233 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 4 | -168.6 | 48.4 | 0 | 0 | 0 | 0 | 114.7 | N54 T58 I64 | N54-T56 PolarHBondContact O-N 3.34Å; N54-T56 VanDerWaalsContact O-N 3.09Å; T56-T58 PolarHBondContact O-N 3.31Å; T56-I64 HydrophobicContact CG2-CD1 4.01Å; T56-I64 HydrophobicContact CG2-CG1 4.16Å |
| 57 | N | 53.3 | Low | 66.5 | Low | 125 Ų | 125 | 65.5 Ų | 65.5 | 67% | 0.668 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -73.2 | 9 | -172.5 | -76.8 | -24.2 | 0 | 0 | 0 | 116.5 | N54 | N54-N57 PolarHBondContact ND2-ND2 3.49Š|
| 58 | T | 49.8 | Very low | 66.6 | Low | 98 Ų | 98 | 64.7 Ų | 64.7 | 60% | 0.601 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -141.7 | 122.9 | 167.3 | 48 | 0 | 0 | 0 | 0 | 109 | T56 S60 T63 | T56-T58 PolarHBondContact O-N 3.31Å; T58-S60 PolarHBondContact O-N 3.27Å; T58-T63 PolarHBondContact O-OG1 3.46Å |
| 59 | S | 51.8 | Low | 66.7 | Low | 80 Ų | 80 | 58.1 Ų | 58.1 | 56% | 0.559 | 31% | 0.311 | S | S | * | . | S | Bend | trans | 29 | 83.3 | -177.2 | 55.3 | 0 | 0 | 0 | 0 | 114.4 | E61 Q62 | S59-E61 PolarHBondContact O-N 2.94Å; S59-Q62 PolarHBondContact O-N 3Å; S59-Q62 VanDerWaalsContact O-N 3.08Å |
| 60 | S | 54.1 | Low | 66.8 | Low | 74 Ų | 74 | 61.7 Ų | 61.7 | 52% | 0.517 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -47.1 | -23.8 | -163.7 | 42.5 | 0 | 0 | 0 | 0 | 117.8 | T58 I64 | T58-S60 PolarHBondContact O-N 3.27Å; S60-I64 WeakPolarHBondContact O-CD1 3.3Å; S60-I64 WeakPolarHBondContact O-CG1 3.29Å |
| 61 | E | 58.1 | Low | 66.7 | Low | 166 Ų | 166 | 62 Ų | 62 | 78% | 0.776 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -92.1 | -34.8 | -179.9 | -62.9 | -170 | 157.4 | 0 | 0 | 114 | S59 A65 | S59-E61 PolarHBondContact O-N 2.94Å; E61-A65 PolarHBondContact O-N 3.41Å |
| 62 | Q | 60.4 | Low | 66.9 | Low | 131 Ų | 131 | 56 Ų | 56 | 61% | 0.612 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -73.2 | -39.5 | -176.9 | -68.3 | -172.4 | -11 | 0 | 0 | 111.2 | S59 A65 D66 | S59-Q62 PolarHBondContact O-N 3Å; S59-Q62 VanDerWaalsContact O-N 3.08Å; Q62-A65 PolarHBondContact O-N 3.07Å; Q62-D66 WeakPolarHBondContact O-CB 3.16Å; Q62-D66 VanDerWaalsContact O-CG 3.27Å; Q62-D66 PolarHBondContact O-N 2.97Å |
| 63 | T | 66.2 | Low | 67.1 | Low | 31 Ų | 31 | 54.3 Ų | 54.3 | 19% | 0.19 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.3 | -37.8 | -177.7 | -52.2 | 0 | 0 | 0 | 0 | 112.2 | L55 T58 D66 V67 | L55-T63 VanDerWaalsContact O-CG2 3.27Å; L55-T63 WeakPolarHBondContact O-CG2 3.46Å; T58-T63 PolarHBondContact O-OG1 3.46Å; T63-D66 PolarHBondContact O-N 3.01Å; T63-V67 HydrophobicContact CG2-CG2 4.41Å; T63-V67 WeakPolarHBondContact O-CB 3.46Å; T63-V67 VanDerWaalsContact O-CG2 3.27Å; T63-V67 WeakPolarHBondContact O-CG2 3.49Å; T63-V67 PolarHBondContact O-N 3.46Å |
| 64 | I | 66.4 | Low | 67.4 | Low | 46 Ų | 46 | 59.5 Ų | 59.5 | 24% | 0.236 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 173.9 | -69.4 | 176.4 | 0 | 0 | 0 | 110.2 | L50 T56 S60 D66 T68 | L50-I64 HydrophobicContact CD1-CB 4.33Å; L50-I64 HydrophobicContact CD1-CG1 4.34Å; L50-I64 HydrophobicContact CD1-CG2 3.75Å; T56-I64 HydrophobicContact CG2-CD1 4.01Å; T56-I64 HydrophobicContact CG2-CG1 4.16Å; S60-I64 WeakPolarHBondContact O-CD1 3.3Å; S60-I64 WeakPolarHBondContact O-CG1 3.29Å; I64-D66 PolarHBondContact O-N 3.25Å; I64-T68 VanDerWaalsContact O-CB 3.28Å; I64-T68 WeakPolarHBondContact O-CB 3.23Å; I64-T68 PolarHBondContact O-N 3.41Å; I64-T68 PolarHBondContact O-OG1 3.15Å |
| 65 | A | 69.6 | Low | 67.8 | Low | 11 Ų | 11 | 61.8 Ų | 61.8 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | K35 T39 E61 Q62 T68 L69 | K35-A65 HydrophobicContact CB-CB 4.48Å; T39-A65 HydrophobicContact CG2-CB 3.55Å; E61-A65 PolarHBondContact O-N 3.41Å; Q62-A65 PolarHBondContact O-N 3.07Å; A65-T68 PolarHBondContact O-N 2.84Å; A65-L69 VanDerWaalsContact O-CB 3.29Å; A65-L69 WeakPolarHBondContact O-CB 3.48Å; A65-L69 VanDerWaalsContact O-CD1 3.28Å; A65-L69 WeakPolarHBondContact O-CD1 3.33Å; A65-L69 WeakPolarHBondContact O-CG 3.35Å; A65-L69 PolarHBondContact O-N 2.92Å |
| 66 | D | 73.4 | Confident | 68.9 | Low | 70 Ų | 70 | 60.1 Ų | 60.1 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.1 | -42.9 | -178.3 | -73 | -25.1 | 0 | 0 | 0 | 112.8 | K35 Q62 T63 I64 L69 K70 | K35-D66 VanDerWaalsContact CE-OD1 3.26Å; K35-D66 WeakPolarHBondContact CE-OD1 3.12Å; K35-D66 IonicContact NZ-OD1 3.43Å; K35-D66 PolarHBondContact NZ-OD1 2.76Å; K35-D66 IonicContact NZ-OD2 2.65Å; Q62-D66 WeakPolarHBondContact O-CB 3.16Å; Q62-D66 VanDerWaalsContact O-CG 3.27Å; Q62-D66 PolarHBondContact O-N 2.97Å; T63-D66 PolarHBondContact O-N 3.01Å; I64-D66 PolarHBondContact O-N 3.25Å; D66-L69 PolarHBondContact O-N 3.05Å; D66-K70 WeakPolarHBondContact O-CB 3.35Å; D66-K70 PolarHBondContact O-N 2.92Å |
| 67 | V | 70.2 | Confident | 70.4 | Confident | 18 Ų | 18 | 65.7 Ų | 65.7 | 11% | 0.109 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.6 | -47.7 | 174.2 | 176 | 0 | 0 | 0 | 0 | 109.8 | L50 T63 L69 K70 M71 I159 | L50-V67 HydrophobicContact CD2-CB 4.32Å; L50-V67 HydrophobicContact CD2-CG1 3.69Å; T63-V67 HydrophobicContact CG2-CG2 4.41Å; T63-V67 WeakPolarHBondContact O-CB 3.46Å; T63-V67 VanDerWaalsContact O-CG2 3.27Å; T63-V67 WeakPolarHBondContact O-CG2 3.49Å; T63-V67 PolarHBondContact O-N 3.46Å; V67-L69 VanDerWaalsContact C-N 3.29Å; V67-L69 PolarHBondContact O-N 3.45Å; V67-K70 PolarHBondContact O-N 3.34Å; V67-K70 VanDerWaalsContact O-N 3.13Å; V67-M71 HydrophobicContact CG1-CG 4.44Å; V67-M71 VanDerWaalsContact O-CG 3.25Å; V67-M71 WeakPolarHBondContact O-CG 3.41Å; V67-M71 PolarHBondContact O-N 2.82Å; V67-I159 HydrophobicContact CG1-CD1 3.98Å |
| 68 | T | 75.1 | Confident | 72.2 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.7 | -37.1 | -179.2 | -47.6 | 0 | 0 | 0 | 0 | 111.6 | T38 F42 W46 I64 A65 M71 S72 | T38-T68 HydrophobicContact CG2-CG2 3.55Å; F42-T68 HydrophobicContact CB-CG2 4.05Å; W46-T68 HydrophobicContact CB-CG2 4.42Å; W46-T68 HydrophobicContact CG-CG2 4.22Å; I64-T68 VanDerWaalsContact O-CB 3.28Å; I64-T68 WeakPolarHBondContact O-CB 3.23Å; I64-T68 PolarHBondContact O-N 3.41Å; I64-T68 PolarHBondContact O-OG1 3.15Å; A65-T68 PolarHBondContact O-N 2.84Å; T68-M71 WeakPolarHBondContact O-CB 3.34Å; T68-M71 PolarHBondContact O-N 3.42Å; T68-S72 WeakPolarHBondContact O-CB 3.3Å; T68-S72 PolarHBondContact O-N 2.87Å; T68-S72 PolarHBondContact O-OG 3.35Å; T68-S72 VanDerWaalsContact O-OG 3.14Å |
| 69 | L | 78.4 | Confident | 74.2 | Confident | 21 Ų | 21 | 61.8 Ų | 61.8 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.2 | -40.7 | 173.3 | -78.1 | 162.9 | 0 | 0 | 0 | 113.6 | S34 K35 T38 A65 D66 V67 M71 S72 G73 | S34-L69 WeakPolarHBondContact O-CD2 3.31Å; K35-L69 HydrophobicContact CB-CD1 3.6Å; K35-L69 HydrophobicContact CB-CG 4.48Å; K35-L69 HydrophobicContact CD-CD1 3.45Å; K35-L69 VanDerWaalsContact CD-CD1 3.45Å; K35-L69 HydrophobicContact CG-CD1 3.24Å; K35-L69 HydrophobicContact CG-CG 4.47Å; T38-L69 HydrophobicContact CG2-CD2 4.23Å; T38-L69 HydrophobicContact CG2-CG 4.42Å; T38-L69 WeakPolarHBondContact OG1-CD2 3.47Å; A65-L69 VanDerWaalsContact O-CB 3.29Å; A65-L69 WeakPolarHBondContact O-CB 3.48Å; A65-L69 VanDerWaalsContact O-CD1 3.28Å; A65-L69 WeakPolarHBondContact O-CD1 3.33Å; A65-L69 WeakPolarHBondContact O-CG 3.35Å; A65-L69 PolarHBondContact O-N 2.92Å; D66-L69 PolarHBondContact O-N 3.05Å; V67-L69 VanDerWaalsContact C-N 3.29Å; V67-L69 PolarHBondContact O-N 3.45Å; L69-M71 VanDerWaalsContact C-N 3.26Å; L69-M71 PolarHBondContact O-N 3.31Å; L69-S72 WeakPolarHBondContact CA-OG 3.25Å; L69-S72 PolarHBondContact O-N 3.39Å; L69-S72 PolarHBondContact O-OG 3.26Å; L69-G73 WeakPolarHBondContact O-CA 3.35Å; L69-G73 PolarHBondContact O-N 3.23Å |
| 70 | K | 77.3 | Confident | 76.3 | Confident | 123 Ų | 123 | 60.6 Ų | 60.6 | 54% | 0.535 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 176.9 | -168.4 | -178.4 | 177 | -171.9 | 0 | 110.1 | D66 V67 P156 | D66-K70 WeakPolarHBondContact O-CB 3.35Å; D66-K70 PolarHBondContact O-N 2.92Å; V67-K70 PolarHBondContact O-N 3.34Å; V67-K70 VanDerWaalsContact O-N 3.13Å; K70-P156 HydrophobicContact CD-CG 4.28Å; K70-P156 HydrophobicContact CG-CG 3.98Å |
| 71 | M | 74.4 | Confident | 78.2 | Confident | 7 Ų | 7 | 59.2 Ų | 59.2 | 3% | 0.034 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.9 | -59 | 171.8 | -64.7 | -59.8 | -69.3 | 0 | 0 | 111.6 | W46 V67 T68 L69 G73 Y75 P156 I159 | W46-M71 HydrophobicContact CH2-CE 3.52Å; W46-M71 HydrophobicContact CZ2-CE 4.06Å; W46-M71 HydrophobicContact CZ3-CE 4.07Å; V67-M71 HydrophobicContact CG1-CG 4.44Å; V67-M71 VanDerWaalsContact O-CG 3.25Å; V67-M71 WeakPolarHBondContact O-CG 3.41Å; V67-M71 PolarHBondContact O-N 2.82Å; T68-M71 WeakPolarHBondContact O-CB 3.34Å; T68-M71 PolarHBondContact O-N 3.42Å; L69-M71 VanDerWaalsContact C-N 3.26Å; L69-M71 PolarHBondContact O-N 3.31Å; M71-G73 VanDerWaalsContact C-N 3.34Å; M71-G73 PolarHBondContact O-N 2.95Å; M71-Y75 VanDerWaalsContact O-CD2 3.25Å; M71-Y75 WeakPolarHBondContact O-CD2 3.46Å; M71-P156 HydrophobicContact CE-CB 4.22Å; M71-P156 WeakPolarHBondContact SD-CA 3.23Å; M71-P156 HydrophobicContact SD-CB 3.42Å; M71-P156 WeakPolarHBondContact SD-CB 3.4Å; M71-P156 HydrophobicContact SD-CG 3.84Å; M71-I159 HydrophobicContact CE-CB 3.76Å; M71-I159 HydrophobicContact CE-CG2 3.59Å; M71-I159 HydrophobicContact CG-CD1 4.49Å; M71-I159 HydrophobicContact SD-CB 4.07Å; M71-I159 HydrophobicContact SD-CD1 3.81Å; M71-I159 HydrophobicContact SD-CG1 4.49Å; M71-I159 HydrophobicContact SD-CG2 4.26Å |
| 72 | S | 79.2 | Confident | 79.9 | Confident | 12 Ų | 12 | 55.8 Ų | 55.8 | 8% | 0.084 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.1 | -39.2 | -174.6 | 64.8 | 0 | 0 | 0 | 0 | 111.5 | M31 T38 T68 L69 H74 Y75 S76 | M31-S72 PolarHBondContact O-OG 3.49Å; T38-S72 VanDerWaalsContact CG2-OG 3.25Å; T38-S72 WeakPolarHBondContact CG2-OG 3.44Å; T68-S72 WeakPolarHBondContact O-CB 3.3Å; T68-S72 PolarHBondContact O-N 2.87Å; T68-S72 PolarHBondContact O-OG 3.35Å; T68-S72 VanDerWaalsContact O-OG 3.14Å; L69-S72 WeakPolarHBondContact CA-OG 3.25Å; L69-S72 PolarHBondContact O-N 3.39Å; L69-S72 PolarHBondContact O-OG 3.26Å; S72-H74 PolarHBondContact O-N 3.23Å; S72-Y75 PolarHBondContact O-N 2.76Å; S72-S76 WeakPolarHBondContact O-CB 3.4Å; S72-S76 PolarHBondContact O-N 2.96Å; S72-S76 PolarHBondContact O-OG 2.92Å |
| 73 | G | 81.3 | Confident | 81.6 | Confident | 4 Ų | 4 | 49.5 Ų | 49.5 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.2 | -38 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L69 M71 Y75 S76 R77 | L69-G73 WeakPolarHBondContact O-CA 3.35Å; L69-G73 PolarHBondContact O-N 3.23Å; M71-G73 VanDerWaalsContact C-N 3.34Å; M71-G73 PolarHBondContact O-N 2.95Å; G73-Y75 VanDerWaalsContact C-N 3.33Å; G73-Y75 PolarHBondContact O-N 3.07Å; G73-S76 WeakPolarHBondContact CA-OG 3.37Å; G73-R77 WeakPolarHBondContact O-CD 3.31Å; G73-R77 VanDerWaalsContact O-CG 3.23Å; G73-R77 WeakPolarHBondContact O-CG 3.16Å; G73-R77 PolarHBondContact O-N 3.11Å |
| 74 | H | 80.4 | Confident | 83.1 | Confident | 113 Ų | 113 | 51.2 Ų | 51.2 | 52% | 0.523 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 178.1 | -165.7 | 78.8 | 0 | 0 | 0 | 111.7 | S72 | S72-H74 PolarHBondContact O-N 3.23Å |
| 75 | Y | 81.2 | Confident | 84.5 | Confident | 93 Ų | 93 | 53.7 Ų | 53.7 | 37% | 0.365 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -90.2 | -21.9 | -176.8 | -59.9 | -70.2 | 0 | 0 | 0 | 114.3 | M71 S72 G73 P78 L160 | M71-Y75 VanDerWaalsContact O-CD2 3.25Å; M71-Y75 WeakPolarHBondContact O-CD2 3.46Å; S72-Y75 PolarHBondContact O-N 2.76Å; G73-Y75 VanDerWaalsContact C-N 3.33Å; G73-Y75 PolarHBondContact O-N 3.07Å; Y75-P78 WeakPolarHBondContact O-CD 3.32Å; Y75-P78 VanDerWaalsContact O-CG 3.29Å; Y75-P78 WeakPolarHBondContact O-CG 3.21Å; Y75-L160 WeakPolarHBondContact OH-CD2 3.46Å |
| 76 | S | 87.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -86.9 | -23.8 | -177 | 56.3 | 0 | 0 | 0 | 0 | 114.7 | T32 S72 G73 I79 F80 | T32-S76 PolarHBondContact N-OG 3.46Å; T32-S76 PolarHBondContact OG1-OG 3.41Å; S72-S76 WeakPolarHBondContact O-CB 3.4Å; S72-S76 PolarHBondContact O-N 2.96Å; S72-S76 PolarHBondContact O-OG 2.92Å; G73-S76 WeakPolarHBondContact CA-OG 3.37Å; S76-I79 WeakPolarHBondContact O-CB 3.3Å; S76-I79 PolarHBondContact O-N 2.92Å; S76-I79 VanDerWaalsContact O-N 3.1Å; S76-F80 PolarHBondContact O-N 3.47Å |
| 77 | R | 89.7 | Confident | 86.8 | Confident | 154 Ų | 154 | 54.2 Ų | 54.2 | 58% | 0.581 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -52.1 | -49.3 | 173.4 | -75.7 | 168.2 | -171.9 | 179.6 | 3.4 | 114.3 | T32 G73 I79 F80 A81 | T32-R77 HydrophobicContact CG2-CG 3.69Å; G73-R77 WeakPolarHBondContact O-CD 3.31Å; G73-R77 VanDerWaalsContact O-CG 3.23Å; G73-R77 WeakPolarHBondContact O-CG 3.16Å; G73-R77 PolarHBondContact O-N 3.11Å; R77-I79 VanDerWaalsContact C-N 3.3Å; R77-I79 PolarHBondContact O-N 3.44Å; R77-F80 WeakPolarHBondContact O-CB 3.39Å; R77-F80 PolarHBondContact O-N 3.09Å; R77-A81 PolarHBondContact O-N 3.34Å; R77-A81 VanDerWaalsContact O-N 3.09Å |
| 78 | P | 91.8 | Very high | 88 | Confident | 68 Ų | 68 | 58.8 Ų | 58.8 | 44% | 0.442 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.9 | -34.4 | 176.7 | 24.3 | -34.1 | 0 | 0 | 0 | 112.3 | Y75 A81 I82 | Y75-P78 WeakPolarHBondContact O-CD 3.32Å; Y75-P78 VanDerWaalsContact O-CG 3.29Å; Y75-P78 WeakPolarHBondContact O-CG 3.21Å; P78-A81 PolarHBondContact O-N 3.43Å; P78-I82 WeakPolarHBondContact O-CB 3.29Å; P78-I82 WeakPolarHBondContact O-CD1 3.26Å; P78-I82 VanDerWaalsContact O-CG1 3.23Å; P78-I82 WeakPolarHBondContact O-CG1 3.36Å; P78-I82 PolarHBondContact O-N 3.06Å |
| 79 | I | 92.5 | Very high | 89 | Confident | 73 Ų | 73 | 60.1 Ų | 60.1 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 176.9 | -58.7 | 175 | 0 | 0 | 0 | 110.3 | L24 S76 R77 I82 G83 | L24-I79 HydrophobicContact CD2-CG2 4.31Å; S76-I79 WeakPolarHBondContact O-CB 3.3Å; S76-I79 PolarHBondContact O-N 2.92Å; S76-I79 VanDerWaalsContact O-N 3.1Å; R77-I79 VanDerWaalsContact C-N 3.3Å; R77-I79 PolarHBondContact O-N 3.44Å; I79-I82 PolarHBondContact O-N 3.28Å; I79-G83 PolarHBondContact O-N 2.99Å |
| 80 | F | 94.5 | Very high | 89.8 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 25% | 0.246 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.9 | -49.7 | 174.4 | 177.1 | -108.8 | 0 | 0 | 0 | 111.9 | A25 W33 S76 R77 I82 G83 L84 | A25-F80 HydrophobicContact CB-CD2 4.43Å; A25-F80 HydrophobicContact CB-CE2 4.47Å; A25-F80 WeakPolarHBondContact O-CD2 3.2Å; W33-F80 AromaticContact CH2-CD1 3.82Å; W33-F80 HydrophobicContact CH2-CD1 3.82Å; W33-F80 AromaticContact CH2-CE1 3.7Å; W33-F80 HydrophobicContact CH2-CE1 3.7Å; W33-F80 HydrophobicContact CH2-CG 4.35Å; W33-F80 HydrophobicContact CH2-CZ 4.15Å; W33-F80 HydrophobicContact CZ3-CD1 4.09Å; W33-F80 HydrophobicContact CZ3-CD2 4.24Å; W33-F80 AromaticContact CZ3-CE1 3.96Å; W33-F80 HydrophobicContact CZ3-CE1 3.96Å; W33-F80 HydrophobicContact CZ3-CE2 4.12Å; W33-F80 HydrophobicContact CZ3-CG 4.22Å; W33-F80 AromaticContact CZ3-CZ 3.97Å; W33-F80 HydrophobicContact CZ3-CZ 3.97Å; S76-F80 PolarHBondContact O-N 3.47Å; R77-F80 WeakPolarHBondContact O-CB 3.39Å; R77-F80 PolarHBondContact O-N 3.09Å; F80-I82 PolarHBondContact O-N 3.48Å; F80-G83 PolarHBondContact O-N 3.35Å; F80-L84 HydrophobicContact CD1-CD1 4.2Å; F80-L84 HydrophobicContact CE1-CD1 3.51Å; F80-L84 HydrophobicContact CE1-CG 4.31Å; F80-L84 HydrophobicContact CE2-CD1 4.22Å; F80-L84 HydrophobicContact CE2-CD2 4.5Å; F80-L84 HydrophobicContact CE2-CG 4.28Å; F80-L84 HydrophobicContact CZ-CD1 3.53Å; F80-L84 HydrophobicContact CZ-CD2 4.44Å; F80-L84 HydrophobicContact CZ-CG 4.08Å; F80-L84 PolarHBondContact O-N 3.29Å |
| 81 | A | 95.1 | Very high | 90.7 | Very high | 45 Ų | 45 | 57.3 Ų | 57.3 | 37% | 0.372 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R77 P78 L84 I85 | R77-A81 PolarHBondContact O-N 3.34Å; R77-A81 VanDerWaalsContact O-N 3.09Å; P78-A81 PolarHBondContact O-N 3.43Å; A81-L84 PolarHBondContact O-N 3.46Å; A81-I85 WeakPolarHBondContact O-CG1 3.48Å; A81-I85 PolarHBondContact O-N 2.98Å |
| 82 | I | 94.4 | Very high | 91.6 | Very high | 93 Ų | 93 | 57.7 Ų | 57.7 | 48% | 0.477 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.8 | -44.5 | 176.6 | -69.2 | 164.9 | 0 | 0 | 0 | 110.7 | P78 I79 F80 L84 I85 I86 | P78-I82 WeakPolarHBondContact O-CB 3.29Å; P78-I82 WeakPolarHBondContact O-CD1 3.26Å; P78-I82 VanDerWaalsContact O-CG1 3.23Å; P78-I82 WeakPolarHBondContact O-CG1 3.36Å; P78-I82 PolarHBondContact O-N 3.06Å; I79-I82 PolarHBondContact O-N 3.28Å; F80-I82 PolarHBondContact O-N 3.48Å; I82-L84 VanDerWaalsContact C-N 3.34Å; I82-L84 PolarHBondContact O-N 3.27Å; I82-I85 PolarHBondContact O-N 2.84Å; I82-I86 HydrophobicContact CG2-CD1 3.73Å; I82-I86 HydrophobicContact CG2-CG1 4.37Å; I82-I86 VanDerWaalsContact O-CG1 3.31Å; I82-I86 WeakPolarHBondContact O-CG1 3.37Å; I82-I86 PolarHBondContact O-N 3.41Å |
| 83 | G | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.6 | -44 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | I79 F80 I86 L87 | I79-G83 PolarHBondContact O-N 2.99Å; F80-G83 PolarHBondContact O-N 3.35Å; G83-I86 PolarHBondContact O-N 3.42Å; G83-L87 WeakPolarHBondContact O-CB 3.27Å; G83-L87 PolarHBondContact O-N 3.5Å |
| 84 | L | 96.1 | Very high | 92.9 | Very high | 66 Ų | 66 | 59 Ų | 59 | 35% | 0.346 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 176.2 | -71.2 | -176.8 | 0 | 0 | 0 | 112.9 | A25 F80 A81 I82 L87 I88 | A25-L84 HydrophobicContact CB-CD2 4.04Å; A25-L84 HydrophobicContact CB-CG 4.39Å; F80-L84 HydrophobicContact CD1-CD1 4.2Å; F80-L84 HydrophobicContact CE1-CD1 3.51Å; F80-L84 HydrophobicContact CE1-CG 4.31Å; F80-L84 HydrophobicContact CE2-CD1 4.22Å; F80-L84 HydrophobicContact CE2-CD2 4.5Å; F80-L84 HydrophobicContact CE2-CG 4.28Å; F80-L84 HydrophobicContact CZ-CD1 3.53Å; F80-L84 HydrophobicContact CZ-CD2 4.44Å; F80-L84 HydrophobicContact CZ-CG 4.08Å; F80-L84 PolarHBondContact O-N 3.29Å; A81-L84 PolarHBondContact O-N 3.46Å; I82-L84 VanDerWaalsContact C-N 3.34Å; I82-L84 PolarHBondContact O-N 3.27Å; L84-L87 WeakPolarHBondContact O-CB 3.27Å; L84-L87 PolarHBondContact O-N 2.93Å; L84-I88 WeakPolarHBondContact O-CG1 3.36Å; L84-I88 PolarHBondContact O-N 2.94Å |
| 85 | I | 96.1 | Very high | 93.6 | Very high | 99 Ų | 99 | 57 Ų | 57 | 51% | 0.508 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 177.7 | -68.5 | 165.3 | 0 | 0 | 0 | 110.2 | A81 I82 L87 I88 I89 | A81-I85 WeakPolarHBondContact O-CG1 3.48Å; A81-I85 PolarHBondContact O-N 2.98Å; I82-I85 PolarHBondContact O-N 2.84Å; I85-L87 VanDerWaalsContact C-N 3.31Å; I85-L87 PolarHBondContact O-N 2.83Å; I85-I88 PolarHBondContact O-N 3.01Å; I85-I89 HydrophobicContact CG2-CD1 3.87Å; I85-I89 WeakPolarHBondContact O-CG1 3.31Å; I85-I89 PolarHBondContact O-N 3.38Å |
| 86 | I | 95.6 | Very high | 94 | Very high | 49 Ų | 49 | 52.6 Ų | 52.6 | 25% | 0.251 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.8 | -45.2 | 176.5 | -67.8 | 168.2 | 0 | 0 | 0 | 110.4 | V17 L24 I82 G83 I88 I89 C90 | V17-I86 HydrophobicContact CG1-CG2 3.87Å; L24-I86 HydrophobicContact CD1-CD1 4.34Å; I82-I86 HydrophobicContact CG2-CD1 3.73Å; I82-I86 HydrophobicContact CG2-CG1 4.37Å; I82-I86 VanDerWaalsContact O-CG1 3.31Å; I82-I86 WeakPolarHBondContact O-CG1 3.37Å; I82-I86 PolarHBondContact O-N 3.41Å; G83-I86 PolarHBondContact O-N 3.42Å; I86-I88 PolarHBondContact O-N 3.01Å; I86-I89 PolarHBondContact O-N 2.9Å; I86-C90 WeakPolarHBondContact O-CB 3.44Å; I86-C90 PolarHBondContact O-N 2.85Å; I86-C90 PolarHBondContact O-SG 3.12Å |
| 87 | L | 95.7 | Very high | 94.1 | Very high | 43 Ų | 43 | 52.8 Ų | 52.8 | 23% | 0.225 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.8 | -47 | 178.8 | -169.7 | 82 | 0 | 0 | 0 | 111.7 | L22 G83 L84 I85 I89 C90 I91 | L22-L87 HydrophobicContact CB-CD1 3.92Å; L22-L87 HydrophobicContact CD1-CD1 4.4Å; G83-L87 WeakPolarHBondContact O-CB 3.27Å; G83-L87 PolarHBondContact O-N 3.5Å; L84-L87 WeakPolarHBondContact O-CB 3.27Å; L84-L87 PolarHBondContact O-N 2.93Å; I85-L87 VanDerWaalsContact C-N 3.31Å; I85-L87 PolarHBondContact O-N 2.83Å; L87-I89 PolarHBondContact O-N 3.45Å; L87-C90 PolarHBondContact O-N 3.41Å; L87-I91 HydrophobicContact CD2-CD1 4.26Å; L87-I91 HydrophobicContact CG-CD1 3.98Å; L87-I91 VanDerWaalsContact O-CG1 3.28Å; L87-I91 WeakPolarHBondContact O-CG1 3.23Å; L87-I91 PolarHBondContact O-N 2.82Å |
| 88 | I | 95.6 | Very high | 94 | Very high | 114 Ų | 114 | 49.5 Ų | 49.5 | 59% | 0.585 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.4 | -44.8 | 179.8 | -68.9 | 164.7 | 0 | 0 | 0 | 110.9 | L84 I85 I86 C90 I91 A92 | L84-I88 WeakPolarHBondContact O-CG1 3.36Å; L84-I88 PolarHBondContact O-N 2.94Å; I85-I88 PolarHBondContact O-N 3.01Å; I86-I88 PolarHBondContact O-N 3.01Å; I88-C90 VanDerWaalsContact C-N 3.35Å; I88-I91 PolarHBondContact O-N 2.85Å; I88-A92 PolarHBondContact O-N 3.49Å |
| 89 | I | 96 | Very high | 93.7 | Very high | 29 Ų | 29 | 50.1 Ų | 50.1 | 15% | 0.149 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.4 | -44.3 | 177.3 | -65.6 | 169.2 | 0 | 0 | 0 | 110.2 | I85 I86 L87 I91 A92 G93 Y108 A111 I112 I115 | I85-I89 HydrophobicContact CG2-CD1 3.87Å; I85-I89 WeakPolarHBondContact O-CG1 3.31Å; I85-I89 PolarHBondContact O-N 3.38Å; I86-I89 PolarHBondContact O-N 2.9Å; L87-I89 PolarHBondContact O-N 3.45Å; I89-I91 PolarHBondContact O-N 3.36Å; I89-A92 WeakPolarHBondContact O-CB 3.36Å; I89-A92 PolarHBondContact O-N 3.29Å; I89-G93 PolarHBondContact O-N 3.48Å; I89-Y108 HydrophobicContact CG2-CD2 3.85Å; I89-Y108 HydrophobicContact CG2-CE2 3.95Å; I89-Y108 WeakPolarHBondContact O-CD2 3.14Å; I89-A111 HydrophobicContact CD1-CB 4.03Å; I89-A111 HydrophobicContact CG1-CB 3.99Å; I89-A111 HydrophobicContact CG2-CB 4.21Å; I89-I112 HydrophobicContact CG2-CD1 4.39Å; I89-I115 HydrophobicContact CD1-CD1 3.96Å |
| 90 | C | 95.8 | Very high | 93.1 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 3% | 0.027 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64 | -41.4 | 178.7 | -67.3 | 0 | 0 | 0 | 0 | 112.2 | N14 I86 L87 I88 A92 G93 I94 | N14-C90 HydrophobicContact CB-CB 4.43Å; I86-C90 WeakPolarHBondContact O-CB 3.44Å; I86-C90 PolarHBondContact O-N 2.85Å; I86-C90 PolarHBondContact O-SG 3.12Å; L87-C90 PolarHBondContact O-N 3.41Å; I88-C90 VanDerWaalsContact C-N 3.35Å; C90-A92 VanDerWaalsContact C-N 3.32Å; C90-A92 PolarHBondContact O-N 2.91Å; C90-G93 PolarHBondContact O-N 3.34Å; C90-G93 VanDerWaalsContact O-N 3.16Å; C90-I94 VanDerWaalsContact O-CG1 3.3Å; C90-I94 WeakPolarHBondContact O-CG1 3.4Å; C90-I94 PolarHBondContact O-N 2.91Å |
| 91 | I | 95 | Very high | 92.9 | Very high | 82 Ų | 82 | 53.7 Ų | 53.7 | 42% | 0.421 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 174.7 | -69.3 | 165.8 | 0 | 0 | 0 | 110.2 | L87 I88 I89 G93 I94 L95 | L87-I91 HydrophobicContact CD2-CD1 4.26Å; L87-I91 HydrophobicContact CG-CD1 3.98Å; L87-I91 VanDerWaalsContact O-CG1 3.28Å; L87-I91 WeakPolarHBondContact O-CG1 3.23Å; L87-I91 PolarHBondContact O-N 2.82Å; I88-I91 PolarHBondContact O-N 2.85Å; I89-I91 PolarHBondContact O-N 3.36Å; I91-G93 VanDerWaalsContact C-N 3.31Å; I91-G93 PolarHBondContact O-N 2.86Å; I91-I94 PolarHBondContact O-N 3.49Å; I91-L95 HydrophobicContact CG2-CD1 3.77Å; I91-L95 HydrophobicContact CG2-CG 4.19Å; I91-L95 WeakPolarHBondContact O-CB 3.34Å; I91-L95 WeakPolarHBondContact O-CG 3.41Å; I91-L95 PolarHBondContact O-N 3.22Å |
| 92 | A | 94.8 | Very high | 92.6 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 12% | 0.116 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.5 | -38.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | I88 I89 C90 G96 | I88-A92 PolarHBondContact O-N 3.49Å; I89-A92 WeakPolarHBondContact O-CB 3.36Å; I89-A92 PolarHBondContact O-N 3.29Å; C90-A92 VanDerWaalsContact C-N 3.32Å; C90-A92 PolarHBondContact O-N 2.91Å; A92-G96 WeakPolarHBondContact O-CA 3.29Å; A92-G96 PolarHBondContact O-N 3.15Å |
| 93 | G | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L10 I89 C90 I91 G96 S97 | L10-G93 WeakPolarHBondContact CD2-O 3.47Å; I89-G93 PolarHBondContact O-N 3.48Å; C90-G93 PolarHBondContact O-N 3.34Å; C90-G93 VanDerWaalsContact O-N 3.16Å; I91-G93 VanDerWaalsContact C-N 3.31Å; I91-G93 PolarHBondContact O-N 2.86Å; G93-G96 PolarHBondContact O-N 3.27Å; G93-S97 WeakPolarHBondContact O-CB 3.16Å; G93-S97 PolarHBondContact O-N 3.4Å; G93-S97 PolarHBondContact O-OG 2.91Å |
| 94 | I | 94.1 | Very high | 92.4 | Very high | 43 Ų | 43 | 56.5 Ų | 56.5 | 22% | 0.221 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.5 | -50.2 | 177.5 | -69.4 | 165 | 0 | 0 | 0 | 110.9 | F11 N14 V15 C90 I91 G96 S97 C98 | F11-I94 HydrophobicContact CD2-CG2 4.06Å; F11-I94 HydrophobicContact CE2-CG2 3.71Å; N14-I94 HydrophobicContact CB-CD1 4.4Å; N14-I94 HydrophobicContact CB-CG1 3.83Å; V15-I94 HydrophobicContact CG2-CD1 4.02Å; V15-I94 HydrophobicContact CG2-CG1 4.38Å; C90-I94 VanDerWaalsContact O-CG1 3.3Å; C90-I94 WeakPolarHBondContact O-CG1 3.4Å; C90-I94 PolarHBondContact O-N 2.91Å; I91-I94 PolarHBondContact O-N 3.49Å; I94-G96 VanDerWaalsContact C-N 3.32Å; I94-G96 PolarHBondContact O-N 3.2Å; I94-S97 WeakPolarHBondContact CA-OG 3.23Å; I94-S97 PolarHBondContact O-N 3.47Å; I94-S97 PolarHBondContact O-OG 3.23Å; I94-C98 VanDerWaalsContact O-CB 3.25Å; I94-C98 WeakPolarHBondContact O-CB 3.31Å; I94-C98 PolarHBondContact O-N 2.84Å |
| 95 | L | 93.4 | Very high | 92.3 | Very high | 73 Ų | 73 | 53.3 Ų | 53.3 | 38% | 0.382 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.6 | -37.2 | 177 | -66.1 | 176.3 | 0 | 0 | 0 | 111.7 | I91 C99 C104 | I91-L95 HydrophobicContact CG2-CD1 3.77Å; I91-L95 HydrophobicContact CG2-CG 4.19Å; I91-L95 WeakPolarHBondContact O-CB 3.34Å; I91-L95 WeakPolarHBondContact O-CG 3.41Å; I91-L95 PolarHBondContact O-N 3.22Å; L95-C99 WeakPolarHBondContact O-CB 3.35Å; L95-C99 PolarHBondContact O-N 3.31Å; L95-C104 HydrophobicContact CB-CB 4.27Å |
| 96 | G | 90.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A92 G93 I94 R272 | A92-G96 WeakPolarHBondContact O-CA 3.29Å; A92-G96 PolarHBondContact O-N 3.15Å; G93-G96 PolarHBondContact O-N 3.27Å; I94-G96 VanDerWaalsContact C-N 3.32Å; I94-G96 PolarHBondContact O-N 3.2Å; G96-R272 PolarHBondContact O-NH1 3.48Å; G96-R272 PolarHBondContact O-NH2 3.01Å |
| 97 | S | 88.8 | Confident | 92.1 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -76.8 | -51.9 | 178 | 50 | 0 | 0 | 0 | 0 | 112.9 | T7 G93 I94 R272 | T7-S97 WeakPolarHBondContact CG2-O 3.4Å; G93-S97 WeakPolarHBondContact O-CB 3.16Å; G93-S97 PolarHBondContact O-N 3.4Å; G93-S97 PolarHBondContact O-OG 2.91Å; I94-S97 WeakPolarHBondContact CA-OG 3.23Å; I94-S97 PolarHBondContact O-N 3.47Å; I94-S97 PolarHBondContact O-OG 3.23Å; S97-R272 PolarHBondContact O-NH2 2.82Å |
| 98 | C | 87.1 | Confident | 92.1 | Very high | 86 Ų | 86 | 54.7 Ų | 54.7 | 58% | 0.581 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -75.5 | -51.4 | -173.3 | -174.4 | 0 | 0 | 0 | 0 | 113 | F11 I94 K100 | F11-C98 HydrophobicContact CD2-CB 4.49Å; I94-C98 VanDerWaalsContact O-CB 3.25Å; I94-C98 WeakPolarHBondContact O-CB 3.31Å; I94-C98 PolarHBondContact O-N 2.84Å; C98-K100 VanDerWaalsContact C-N 3.3Å; C98-K100 PolarHBondContact O-N 2.95Å |
| 99 | C | 85.9 | Confident | 92.1 | Very high | 81 Ų | 81 | 50.3 Ų | 50.3 | 55% | 0.547 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -88.2 | 7.3 | -169.5 | -54.6 | 0 | 0 | 0 | 0 | 113.9 | L95 S101 | L95-C99 WeakPolarHBondContact O-CB 3.35Å; L95-C99 PolarHBondContact O-N 3.31Å; C99-S101 PolarHBondContact O-N 3.45Å |
| 100 | K | 81.5 | Confident | 92.1 | Very high | 164 Ų | 164 | 51.5 Ų | 51.5 | 71% | 0.713 | 29% | 0.289 | S | S | * | . | trans | 52.9 | 18.2 | -174.1 | -64.8 | -178.8 | -179.1 | 173.6 | 0 | 115.6 | C98 S102 R272 | C98-K100 VanDerWaalsContact C-N 3.3Å; C98-K100 PolarHBondContact O-N 2.95Å; K100-S102 PolarHBondContact O-N 3.32Å; K100-R272 VanDerWaalsContact CA-CZ 3.47Å; K100-R272 PolarHBondContact O-NH1 3.19Å | ||
| 101 | S | 90 | Very high | 92.1 | Very high | 39 Ų | 39 | 52.3 Ų | 52.3 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | trans | -67.4 | 113.8 | 178.3 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | C99 L103 C104 L105 R272 | C99-S101 PolarHBondContact O-N 3.45Å; S101-L103 VanDerWaalsContact C-N 3.31Å; S101-C104 PolarHBondContact OG-N 3.4Å; S101-C104 PolarHBondContact OG-SG 2.94Å; S101-L105 PolarHBondContact O-N 3.4Å; S101-R272 PolarHBondContact O-NH1 2.62Å | ||
| 102 | S | 89.2 | Confident | 92.1 | Very high | 48 Ų | 48 | 49.2 Ų | 49.2 | 34% | 0.336 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.3 | -35.8 | 175.9 | -178 | 0 | 0 | 0 | 0 | 111.5 | K100 L105 K106 | K100-S102 PolarHBondContact O-N 3.32Å; S102-L105 PolarHBondContact O-N 2.83Å; S102-K106 WeakPolarHBondContact O-CB 3.26Å; S102-K106 VanDerWaalsContact O-CG 3.27Å; S102-K106 WeakPolarHBondContact O-CG 3.28Å; S102-K106 PolarHBondContact O-N 3.33Å; S102-K106 WeakPolarHBondContact OG-CE 3.47Å |
| 103 | L | 92 | Very high | 92.2 | Very high | 120 Ų | 120 | 50.4 Ų | 50.4 | 63% | 0.628 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.2 | -49.3 | 179.5 | -176.4 | 64.5 | 0 | 0 | 0 | 111.7 | S101 L105 K106 I107 | S101-L103 VanDerWaalsContact C-N 3.31Å; L103-L105 VanDerWaalsContact C-N 3.31Å; L103-L105 PolarHBondContact O-N 3.43Å; L103-K106 PolarHBondContact O-N 3.47Å; L103-I107 HydrophobicContact CD1-CD1 4.43Å; L103-I107 HydrophobicContact CG-CD1 4.18Å; L103-I107 WeakPolarHBondContact O-CG1 3.47Å; L103-I107 PolarHBondContact O-N 3.17Å |
| 104 | C | 93.6 | Very high | 92.3 | Very high | 29 Ų | 29 | 55.6 Ų | 55.6 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 178.9 | -63.1 | 0 | 0 | 0 | 0 | 111.6 | L95 S101 I107 Y108 | L95-C104 HydrophobicContact CB-CB 4.27Å; S101-C104 PolarHBondContact OG-N 3.4Å; S101-C104 PolarHBondContact OG-SG 2.94Å; C104-I107 PolarHBondContact O-N 2.97Å; C104-Y108 WeakPolarHBondContact O-CB 3.5Å; C104-Y108 PolarHBondContact O-N 3.27Å |
| 105 | L | 92.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.9 | -36.8 | 178.1 | -171.6 | 62.3 | 0 | 0 | 0 | 112.2 | S101 S102 L103 Y108 T109 A265 I268 N269 | S101-L105 PolarHBondContact O-N 3.4Å; S102-L105 PolarHBondContact O-N 2.83Å; L103-L105 VanDerWaalsContact C-N 3.31Å; L103-L105 PolarHBondContact O-N 3.43Å; L105-Y108 HydrophobicContact CD1-CD1 4.41Å; L105-T109 VanDerWaalsContact O-CB 3.32Å; L105-T109 WeakPolarHBondContact O-CB 3.27Å; L105-T109 PolarHBondContact O-N 2.73Å; L105-T109 PolarHBondContact O-OG1 3.1Å; L105-A265 HydrophobicContact CD1-CB 4.12Å; L105-I268 HydrophobicContact CD2-CB 4.21Å; L105-I268 HydrophobicContact CD2-CG2 3.76Å; L105-N269 HydrophobicContact CD2-CB 3.73Å; L105-N269 HydrophobicContact CG-CB 4.41Å |
| 106 | K | 93.6 | Very high | 92.6 | Very high | 118 Ų | 118 | 53.9 Ų | 53.9 | 51% | 0.513 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65 | -45.7 | 173.8 | -75.3 | 171.5 | -178 | 175.2 | 0 | 111.9 | S102 L103 T109 A110 | S102-K106 WeakPolarHBondContact O-CB 3.26Å; S102-K106 VanDerWaalsContact O-CG 3.27Å; S102-K106 WeakPolarHBondContact O-CG 3.28Å; S102-K106 PolarHBondContact O-N 3.33Å; S102-K106 WeakPolarHBondContact OG-CE 3.47Å; L103-K106 PolarHBondContact O-N 3.47Å; K106-T109 PolarHBondContact O-N 3.43Å; K106-A110 WeakPolarHBondContact O-CB 3.37Å; K106-A110 PolarHBondContact O-N 3.08Å |
| 107 | I | 94.9 | Very high | 93 | Very high | 98 Ų | 98 | 58.2 Ų | 58.2 | 50% | 0.503 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.4 | -47.4 | 176 | -65.7 | 171.8 | 0 | 0 | 0 | 110.2 | L103 C104 T109 A110 A111 | L103-I107 HydrophobicContact CD1-CD1 4.43Å; L103-I107 HydrophobicContact CG-CD1 4.18Å; L103-I107 WeakPolarHBondContact O-CG1 3.47Å; L103-I107 PolarHBondContact O-N 3.17Å; C104-I107 PolarHBondContact O-N 2.97Å; I107-T109 PolarHBondContact O-N 2.64Å; I107-A110 PolarHBondContact O-N 3.4Å; I107-A111 WeakPolarHBondContact O-CB 3.36Å; I107-A111 PolarHBondContact O-N 2.81Å |
| 108 | Y | 95.4 | Very high | 93.3 | Very high | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 176.6 | 177 | -104 | 0 | 0 | 0 | 112.1 | L10 N14 I89 C104 L105 A110 A111 I112 I261 A265 | L10-Y108 HydrophobicContact CD1-CE1 3.93Å; L10-Y108 HydrophobicContact CD2-CE1 4.3Å; L10-Y108 HydrophobicContact CG-CE1 4.32Å; N14-Y108 PolarHBondContact ND2-OH 3.45Å; N14-Y108 WeakPolarHBondContact OD1-CE2 3.29Å; N14-Y108 PolarHBondContact OD1-OH 3.42Å; I89-Y108 HydrophobicContact CG2-CD2 3.85Å; I89-Y108 HydrophobicContact CG2-CE2 3.95Å; I89-Y108 WeakPolarHBondContact O-CD2 3.14Å; C104-Y108 WeakPolarHBondContact O-CB 3.5Å; C104-Y108 PolarHBondContact O-N 3.27Å; L105-Y108 HydrophobicContact CD1-CD1 4.41Å; Y108-A110 VanDerWaalsContact C-N 3.34Å; Y108-A110 PolarHBondContact O-N 3.41Å; Y108-A111 PolarHBondContact O-N 2.63Å; Y108-I112 HydrophobicContact CD1-CG1 4.38Å; Y108-I112 HydrophobicContact CD2-CG1 4.26Å; Y108-I112 HydrophobicContact CE1-CG1 3.95Å; Y108-I112 HydrophobicContact CE2-CD1 4.03Å; Y108-I112 HydrophobicContact CE2-CG1 3.82Å; Y108-I112 WeakPolarHBondContact O-CG1 3.44Å; Y108-I112 PolarHBondContact O-N 2.75Å; Y108-I261 HydrophobicContact CE1-CG2 4.14Å; Y108-I261 WeakPolarHBondContact OH-CG2 3.28Å; Y108-A265 HydrophobicContact CD1-CB 4.23Å; Y108-A265 HydrophobicContact CE1-CB 4.22Å |
| 109 | T | 95.1 | Very high | 93.8 | Very high | 22 Ų | 22 | 58.4 Ų | 58.4 | 14% | 0.135 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.2 | -41.7 | -179.9 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | L105 K106 I107 S113 F262 I266 | L105-T109 VanDerWaalsContact O-CB 3.32Å; L105-T109 WeakPolarHBondContact O-CB 3.27Å; L105-T109 PolarHBondContact O-N 2.73Å; L105-T109 PolarHBondContact O-OG1 3.1Å; K106-T109 PolarHBondContact O-N 3.43Å; I107-T109 PolarHBondContact O-N 2.64Å; T109-S113 WeakPolarHBondContact O-CB 3.43Å; T109-S113 PolarHBondContact O-N 2.9Å; T109-F262 HydrophobicContact CG2-CD2 3.97Å; T109-F262 HydrophobicContact CG2-CE2 3.53Å; T109-F262 HydrophobicContact CG2-CZ 4.42Å; T109-I266 HydrophobicContact CG2-CG1 4.01Å |
| 110 | A | 96.1 | Very high | 94.3 | Very high | 54 Ų | 54 | 57.8 Ų | 57.8 | 45% | 0.446 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | K106 I107 Y108 S113 I114 | K106-A110 WeakPolarHBondContact O-CB 3.37Å; K106-A110 PolarHBondContact O-N 3.08Å; I107-A110 PolarHBondContact O-N 3.4Å; Y108-A110 VanDerWaalsContact C-N 3.34Å; Y108-A110 PolarHBondContact O-N 3.41Å; A110-S113 WeakPolarHBondContact O-CB 3.17Å; A110-S113 PolarHBondContact O-N 3.38Å; A110-I114 WeakPolarHBondContact O-CG1 3.41Å; A110-I114 PolarHBondContact O-N 3.06Å; A110-I114 VanDerWaalsContact O-N 3.1Å |
| 111 | A | 96.1 | Very high | 95 | Very high | 20 Ų | 20 | 54.4 Ų | 54.4 | 17% | 0.165 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I89 I107 Y108 S113 I114 I115 | I89-A111 HydrophobicContact CD1-CB 4.03Å; I89-A111 HydrophobicContact CG1-CB 3.99Å; I89-A111 HydrophobicContact CG2-CB 4.21Å; I107-A111 WeakPolarHBondContact O-CB 3.36Å; I107-A111 PolarHBondContact O-N 2.81Å; Y108-A111 PolarHBondContact O-N 2.63Å; A111-S113 VanDerWaalsContact C-N 3.3Å; A111-S113 PolarHBondContact O-N 2.95Å; A111-I114 PolarHBondContact O-N 3.45Å; A111-I115 WeakPolarHBondContact O-CG1 3.35Å; A111-I115 PolarHBondContact O-N 3.39Å |
| 112 | I | 95.9 | Very high | 95.2 | Very high | 17 Ų | 17 | 57.4 Ų | 57.4 | 9% | 0.087 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.8 | -38.7 | 176.4 | -64.8 | -63.6 | 0 | 0 | 0 | 111.1 | I89 Y108 I114 I115 I116 F262 | I89-I112 HydrophobicContact CG2-CD1 4.39Å; Y108-I112 HydrophobicContact CD1-CG1 4.38Å; Y108-I112 HydrophobicContact CD2-CG1 4.26Å; Y108-I112 HydrophobicContact CE1-CG1 3.95Å; Y108-I112 HydrophobicContact CE2-CD1 4.03Å; Y108-I112 HydrophobicContact CE2-CG1 3.82Å; Y108-I112 WeakPolarHBondContact O-CG1 3.44Å; Y108-I112 PolarHBondContact O-N 2.75Å; I112-I114 VanDerWaalsContact C-N 3.33Å; I112-I114 PolarHBondContact O-N 3.1Å; I112-I115 HydrophobicContact CD1-CD1 4.42Å; I112-I115 PolarHBondContact O-N 3.07Å; I112-I116 HydrophobicContact CG2-CD1 3.79Å; I112-I116 HydrophobicContact CG2-CG1 4.28Å; I112-I116 WeakPolarHBondContact O-CG1 3.28Å; I112-I116 PolarHBondContact O-N 3.01Å; I112-F262 HydrophobicContact CB-CD2 4.47Å; I112-F262 HydrophobicContact CG2-CB 3.91Å; I112-F262 HydrophobicContact CG2-CD2 4.09Å; I112-F262 HydrophobicContact CG2-CG 4.43Å |
| 113 | S | 96.3 | Very high | 95.4 | Very high | 39 Ų | 39 | 55.8 Ų | 55.8 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.8 | -42.6 | 175.6 | -173.2 | 0 | 0 | 0 | 0 | 112.4 | T109 A110 A111 I117 | T109-S113 WeakPolarHBondContact O-CB 3.43Å; T109-S113 PolarHBondContact O-N 2.9Å; A110-S113 WeakPolarHBondContact O-CB 3.17Å; A110-S113 PolarHBondContact O-N 3.38Å; A111-S113 VanDerWaalsContact C-N 3.3Å; A111-S113 PolarHBondContact O-N 2.95Å; S113-I117 WeakPolarHBondContact O-CD1 3.28Å; S113-I117 VanDerWaalsContact O-CG1 3.25Å; S113-I117 WeakPolarHBondContact O-CG1 3.45Å; S113-I117 PolarHBondContact O-N 3.44Å; S113-I117 VanDerWaalsContact O-N 3.11Å |
| 114 | I | 97 | Very high | 95.5 | Very high | 109 Ų | 109 | 55.1 Ų | 55.1 | 56% | 0.559 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65.7 | -41 | 177.5 | -66.5 | 165.6 | 0 | 0 | 0 | 110.6 | A110 A111 I112 I117 T118 | A110-I114 WeakPolarHBondContact O-CG1 3.41Å; A110-I114 PolarHBondContact O-N 3.06Å; A110-I114 VanDerWaalsContact O-N 3.1Å; A111-I114 PolarHBondContact O-N 3.45Å; I112-I114 VanDerWaalsContact C-N 3.33Å; I112-I114 PolarHBondContact O-N 3.1Å; I114-I117 PolarHBondContact O-N 3.46Å; I114-T118 WeakPolarHBondContact O-CB 3.23Å; I114-T118 PolarHBondContact O-N 3.45Å; I114-T118 PolarHBondContact O-OG1 3Å |
| 115 | I | 96.2 | Very high | 95.4 | Very high | 62 Ų | 62 | 57.5 Ų | 57.5 | 32% | 0.318 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.4 | -49.9 | 177.6 | -68.9 | 167.4 | 0 | 0 | 0 | 110.5 | I89 A111 I112 I117 T118 H119 | I89-I115 HydrophobicContact CD1-CD1 3.96Å; A111-I115 WeakPolarHBondContact O-CG1 3.35Å; A111-I115 PolarHBondContact O-N 3.39Å; I112-I115 HydrophobicContact CD1-CD1 4.42Å; I112-I115 PolarHBondContact O-N 3.07Å; I115-I117 PolarHBondContact O-N 3.13Å; I115-T118 PolarHBondContact O-N 3.23Å; I115-H119 WeakPolarHBondContact O-CB 3.32Å; I115-H119 PolarHBondContact O-N 3.33Å |
| 116 | I | 97.5 | Very high | 95.4 | Very high | 18 Ų | 18 | 58.4 Ų | 58.4 | 9% | 0.092 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.5 | -47.9 | 178.6 | -71.3 | 169.5 | 0 | 0 | 0 | 111.1 | I112 T118 H119 I120 L255 E258 I259 F262 | I112-I116 HydrophobicContact CG2-CD1 3.79Å; I112-I116 HydrophobicContact CG2-CG1 4.28Å; I112-I116 WeakPolarHBondContact O-CG1 3.28Å; I112-I116 PolarHBondContact O-N 3.01Å; I116-T118 VanDerWaalsContact C-N 3.34Å; I116-T118 PolarHBondContact O-N 2.95Å; I116-H119 PolarHBondContact O-N 3.45Å; I116-I120 HydrophobicContact CG2-CD1 3.8Å; I116-I120 VanDerWaalsContact O-CG1 3.31Å; I116-I120 WeakPolarHBondContact O-CG1 3.36Å; I116-I120 PolarHBondContact O-N 3.35Å; I116-L255 HydrophobicContact CG2-CD1 4.14Å; I116-E258 HydrophobicContact CD1-CB 4.12Å; I116-E258 HydrophobicContact CG1-CB 3.82Å; I116-I259 HydrophobicContact CD1-CG1 4.28Å; I116-F262 HydrophobicContact CD1-CB 3.8Å; I116-F262 HydrophobicContact CD1-CG 4.07Å |
| 117 | I | 97.6 | Very high | 95.3 | Very high | 91 Ų | 91 | 57 Ų | 57 | 47% | 0.467 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.9 | -46.2 | 179.4 | -68.3 | 165.3 | 0 | 0 | 0 | 110.3 | S113 I114 I115 H119 I120 I121 | S113-I117 WeakPolarHBondContact O-CD1 3.28Å; S113-I117 VanDerWaalsContact O-CG1 3.25Å; S113-I117 WeakPolarHBondContact O-CG1 3.45Å; S113-I117 PolarHBondContact O-N 3.44Å; S113-I117 VanDerWaalsContact O-N 3.11Å; I114-I117 PolarHBondContact O-N 3.46Å; I115-I117 PolarHBondContact O-N 3.13Å; I117-H119 VanDerWaalsContact C-N 3.34Å; I117-H119 PolarHBondContact O-N 3.5Å; I117-I120 PolarHBondContact O-N 3.28Å; I117-I121 HydrophobicContact CG2-CD1 3.79Å; I117-I121 VanDerWaalsContact O-CG1 3.27Å; I117-I121 WeakPolarHBondContact O-CG1 3.44Å; I117-I121 PolarHBondContact O-N 3.15Å |
| 118 | T | 96.6 | Very high | 95.1 | Very high | 66 Ų | 66 | 56.5 Ų | 56.5 | 41% | 0.405 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 179.1 | -56.2 | 0 | 0 | 0 | 0 | 111.2 | I114 I115 I116 I121 I122 | I114-T118 WeakPolarHBondContact O-CB 3.23Å; I114-T118 PolarHBondContact O-N 3.45Å; I114-T118 PolarHBondContact O-OG1 3Å; I115-T118 PolarHBondContact O-N 3.23Å; I116-T118 VanDerWaalsContact C-N 3.34Å; I116-T118 PolarHBondContact O-N 2.95Å; T118-I121 PolarHBondContact O-N 2.98Å; T118-I122 HydrophobicContact CG2-CD1 3.88Å; T118-I122 HydrophobicContact CG2-CG1 4.5Å; T118-I122 VanDerWaalsContact O-CG1 3.27Å; T118-I122 WeakPolarHBondContact O-CG1 3.25Å; T118-I122 PolarHBondContact O-N 3.43Å |
| 119 | H | 96.7 | Very high | 94.5 | Very high | 27 Ų | 27 | 58.2 Ų | 58.2 | 13% | 0.125 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 178.4 | -169.4 | 177.5 | 0 | 0 | 0 | 111.7 | I115 I116 I117 I121 I122 L123 S251 L255 E258 | I115-H119 WeakPolarHBondContact O-CB 3.32Å; I115-H119 PolarHBondContact O-N 3.33Å; I116-H119 PolarHBondContact O-N 3.45Å; I117-H119 VanDerWaalsContact C-N 3.34Å; I117-H119 PolarHBondContact O-N 3.5Å; H119-I121 PolarHBondContact O-N 3.47Å; H119-I122 PolarHBondContact O-N 2.74Å; H119-L123 WeakPolarHBondContact O-CG 3.49Å; H119-L123 PolarHBondContact O-N 3.18Å; H119-S251 PolarHBondContact CE1-O 2.03Å; H119-S251 VanDerWaalsContact NE2-CB 3.28Å; H119-S251 WeakPolarHBondContact NE2-CB 2.99Å; H119-S251 PolarHBondContact NE2-OG 2.77Å; H119-L255 HydrophobicContact CB-CD1 4.4Å; H119-E258 IonicContact ND1-OE2 2.63Å |
| 120 | I | 97 | Very high | 93.8 | Very high | 69 Ų | 69 | 60.1 Ų | 60.1 | 35% | 0.354 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.3 | -46.2 | 175.5 | -68.9 | 167.9 | 0 | 0 | 0 | 110.8 | I116 I117 I122 L123 I124 L255 | I116-I120 HydrophobicContact CG2-CD1 3.8Å; I116-I120 VanDerWaalsContact O-CG1 3.31Å; I116-I120 WeakPolarHBondContact O-CG1 3.36Å; I116-I120 PolarHBondContact O-N 3.35Å; I117-I120 PolarHBondContact O-N 3.28Å; I120-I122 PolarHBondContact O-N 3.12Å; I120-L123 PolarHBondContact O-N 3.43Å; I120-I124 HydrophobicContact CG2-CD1 3.64Å; I120-I124 HydrophobicContact CG2-CG1 4.32Å; I120-I124 VanDerWaalsContact O-CG1 3.28Å; I120-I124 WeakPolarHBondContact O-CG1 3.27Å; I120-I124 PolarHBondContact O-N 3.3Å; I120-L255 HydrophobicContact CG1-CD1 4.09Å; I120-L255 HydrophobicContact CG1-CD2 4.04Å |
| 121 | I | 95.9 | Very high | 92.8 | Very high | 93 Ų | 93 | 65.6 Ų | 65.6 | 48% | 0.477 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60 | -46.9 | 178.5 | -69 | 166 | 0 | 0 | 0 | 110.7 | I117 T118 H119 L123 I124 V125 | I117-I121 HydrophobicContact CG2-CD1 3.79Å; I117-I121 VanDerWaalsContact O-CG1 3.27Å; I117-I121 WeakPolarHBondContact O-CG1 3.44Å; I117-I121 PolarHBondContact O-N 3.15Å; T118-I121 PolarHBondContact O-N 2.98Å; H119-I121 PolarHBondContact O-N 3.47Å; I121-L123 VanDerWaalsContact C-N 3.33Å; I121-L123 PolarHBondContact O-N 3.29Å; I121-I124 PolarHBondContact O-N 2.94Å; I121-V125 HydrophobicContact CG2-CG2 4.37Å; I121-V125 WeakPolarHBondContact O-CG2 3.25Å; I121-V125 PolarHBondContact O-N 3.05Å |
| 122 | I | 93.4 | Very high | 91.8 | Very high | 101 Ų | 101 | 71 Ų | 71 | 52% | 0.518 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 178.7 | -70.9 | 167.5 | 0 | 0 | 0 | 110.6 | T118 H119 I120 V125 Y126 | T118-I122 HydrophobicContact CG2-CD1 3.88Å; T118-I122 HydrophobicContact CG2-CG1 4.5Å; T118-I122 VanDerWaalsContact O-CG1 3.27Å; T118-I122 WeakPolarHBondContact O-CG1 3.25Å; T118-I122 PolarHBondContact O-N 3.43Å; H119-I122 PolarHBondContact O-N 2.74Å; I120-I122 PolarHBondContact O-N 3.12Å; I122-V125 PolarHBondContact O-N 2.84Å; I122-Y126 VanDerWaalsContact O-CB 3.26Å; I122-Y126 WeakPolarHBondContact O-CB 3.45Å; I122-Y126 PolarHBondContact O-N 3.43Å |
| 123 | L | 94.6 | Very high | 90.7 | Very high | 14 Ų | 14 | 72 Ų | 72 | 7% | 0.073 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 178.5 | -72.9 | 173.8 | 0 | 0 | 0 | 112.3 | H119 I120 I121 Y126 F127 A248 L252 L255 | H119-L123 WeakPolarHBondContact O-CG 3.49Å; H119-L123 PolarHBondContact O-N 3.18Å; I120-L123 PolarHBondContact O-N 3.43Å; I121-L123 VanDerWaalsContact C-N 3.33Å; I121-L123 PolarHBondContact O-N 3.29Å; L123-Y126 PolarHBondContact O-N 2.93Å; L123-F127 HydrophobicContact CB-CD2 4.44Å; L123-F127 HydrophobicContact CD2-CE2 4Å; L123-F127 WeakPolarHBondContact O-CD2 3.39Å; L123-F127 PolarHBondContact O-N 2.75Å; L123-A248 HydrophobicContact CD2-CB 4.19Å; L123-L252 HydrophobicContact CD1-CD2 3.79Å; L123-L255 HydrophobicContact CD1-CD2 4.11Å |
| 124 | I | 94 | Very high | 90 | Very high | 107 Ų | 107 | 73.3 Ų | 73.3 | 55% | 0.549 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.2 | -50.3 | 177 | -69.1 | 167.5 | 0 | 0 | 0 | 110.1 | I120 I121 Y126 A128 | I120-I124 HydrophobicContact CG2-CD1 3.64Å; I120-I124 HydrophobicContact CG2-CG1 4.32Å; I120-I124 VanDerWaalsContact O-CG1 3.28Å; I120-I124 WeakPolarHBondContact O-CG1 3.27Å; I120-I124 PolarHBondContact O-N 3.3Å; I121-I124 PolarHBondContact O-N 2.94Å; I124-Y126 VanDerWaalsContact C-N 3.32Å; I124-Y126 PolarHBondContact O-N 3.43Å; I124-A128 WeakPolarHBondContact O-CB 3.43Å; I124-A128 PolarHBondContact O-N 3.47Å |
| 125 | V | 91.7 | Very high | 89.5 | Confident | 78 Ų | 78 | 76.4 Ų | 76.4 | 47% | 0.473 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | -180 | 172 | 0 | 0 | 0 | 0 | 110.9 | I121 I122 A128 S129 | I121-V125 HydrophobicContact CG2-CG2 4.37Å; I121-V125 WeakPolarHBondContact O-CG2 3.25Å; I121-V125 PolarHBondContact O-N 3.05Å; I122-V125 PolarHBondContact O-N 2.84Å; V125-A128 PolarHBondContact O-N 3.47Å; V125-S129 PolarHBondContact O-N 2.93Å; V125-S129 PolarHBondContact O-OG 3.35Å |
| 126 | Y | 91.3 | Very high | 89.1 | Confident | 19 Ų | 19 | 80.5 Ų | 80.5 | 8% | 0.075 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -60.8 | -56.2 | 179.6 | 175.7 | -109.6 | 0 | 0 | 0 | 111.7 | I122 L123 I124 A128 S129 K130 T241 V244 D245 A248 | I122-Y126 VanDerWaalsContact O-CB 3.26Å; I122-Y126 WeakPolarHBondContact O-CB 3.45Å; I122-Y126 PolarHBondContact O-N 3.43Å; L123-Y126 PolarHBondContact O-N 2.93Å; I124-Y126 VanDerWaalsContact C-N 3.32Å; I124-Y126 PolarHBondContact O-N 3.43Å; Y126-A128 VanDerWaalsContact C-N 3.27Å; Y126-A128 PolarHBondContact O-N 3.13Å; Y126-S129 PolarHBondContact O-N 3.24Å; Y126-K130 PolarHBondContact O-N 3.38Å; Y126-T241 PolarHBondContact OH-O 3.09Å; Y126-V244 HydrophobicContact CD2-CG1 3.7Å; Y126-V244 HydrophobicContact CE1-CG1 4.27Å; Y126-V244 HydrophobicContact CE2-CB 3.99Å; Y126-V244 HydrophobicContact CE2-CG1 3.23Å; Y126-V244 HydrophobicContact CG-CG1 4.39Å; Y126-D245 PolarHBondContact OH-N 3.45Å; Y126-D245 PolarHBondContact OH-OD1 3.11Å; Y126-A248 HydrophobicContact CD1-CB 3.95Å; Y126-A248 HydrophobicContact CE1-CB 3.77Å |
| 127 | F | 91.2 | Very high | 88.8 | Confident | 90 Ų | 90 | 80.4 Ų | 80.4 | 40% | 0.395 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.9 | -30.3 | -178.1 | -74.2 | -63 | 0 | 0 | 0 | 112.6 | L123 S129 A248 | L123-F127 HydrophobicContact CB-CD2 4.44Å; L123-F127 HydrophobicContact CD2-CE2 4Å; L123-F127 WeakPolarHBondContact O-CD2 3.39Å; L123-F127 PolarHBondContact O-N 2.75Å; F127-S129 VanDerWaalsContact C-N 3.35Å; F127-S129 PolarHBondContact O-N 3.29Å; F127-A248 HydrophobicContact CZ-CB 4.17Å |
| 128 | A | 90.6 | Very high | 88.6 | Confident | 86 Ų | 86 | 78.4 Ų | 78.4 | 71% | 0.711 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -70.9 | -25.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I124 V125 Y126 | I124-A128 WeakPolarHBondContact O-CB 3.43Å; I124-A128 PolarHBondContact O-N 3.47Å; V125-A128 PolarHBondContact O-N 3.47Å; Y126-A128 VanDerWaalsContact C-N 3.27Å; Y126-A128 PolarHBondContact O-N 3.13Å |
| 129 | S | 84.4 | Confident | 88.4 | Confident | 41 Ų | 41 | 81.4 Ų | 81.4 | 29% | 0.287 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -124.2 | 4.8 | -170.5 | 58.3 | 0 | 0 | 0 | 0 | 115.7 | V125 Y126 F127 Q131 H132 H134 | V125-S129 PolarHBondContact O-N 2.93Å; V125-S129 PolarHBondContact O-OG 3.35Å; Y126-S129 PolarHBondContact O-N 3.24Å; F127-S129 VanDerWaalsContact C-N 3.35Å; F127-S129 PolarHBondContact O-N 3.29Å; S129-Q131 PolarHBondContact O-N 3.42Å; S129-H132 PolarHBondContact O-N 2.84Å; S129-H134 PolarHBondContact OG-CE1 3.27Å; S129-H134 PolarHBondContact OG-ND1 3.43Å |
| 130 | K | 80.6 | Confident | 88.2 | Confident | 62 Ų | 62 | 83.6 Ų | 83.6 | 27% | 0.27 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.1 | -34.4 | -178.5 | -178.1 | 176.8 | 172.6 | 172.7 | 0 | 116 | Y126 H132 H237 T241 D245 | Y126-K130 PolarHBondContact O-N 3.38Å; K130-H132 VanDerWaalsContact C-N 3.32Å; K130-H132 PolarHBondContact O-N 3.23Å; K130-H237 PolarHBondContact O-NE2 2.91Å; K130-T241 HydrophobicContact CD-CG2 4.34Å; K130-T241 HydrophobicContact CG-CG2 3.86Å; K130-D245 WeakPolarHBondContact CE-OD1 3.19Å; K130-D245 WeakPolarHBondContact CE-OD2 3.42Å; K130-D245 IonicContact NZ-OD1 2.66Å; K130-D245 PolarHBondContact NZ-OD1 3.15Å; K130-D245 IonicContact NZ-OD2 2.66Å; K130-D245 PolarHBondContact NZ-OD2 3.13Å |
| 131 | Q | 75.1 | Confident | 88.1 | Confident | 169 Ų | 169 | 80.3 Ų | 80.3 | 79% | 0.79 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -24.4 | -172.5 | -68.5 | -174.1 | -3.9 | 0 | 0 | 114.2 | S129 | S129-Q131 PolarHBondContact O-N 3.42Š|
| 132 | H | 75 | Confident | 87.9 | Confident | 133 Ų | 133 | 79 Ų | 79 | 62% | 0.616 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -120.8 | 143.5 | -175.3 | -63.5 | 82.8 | 0 | 0 | 0 | 110.3 | S129 K130 H134 H237 | S129-H132 PolarHBondContact O-N 2.84Å; K130-H132 VanDerWaalsContact C-N 3.32Å; K130-H132 PolarHBondContact O-N 3.23Å; H132-H134 PolarHBondContact O-N 2.94Å; H132-H134 VanDerWaalsContact O-N 3.08Å; H132-H237 PolarHBondContact O-CE1 2.76Å |
| 133 | P | 72.8 | Confident | 87.9 | Confident | 37 Ų | 37 | 81 Ų | 81 | 24% | 0.24 | 40% | 0.398 | C | S | . | . | trans | -55.2 | 123.1 | 171.5 | 22.6 | -31 | 0 | 0 | 0 | 108.8 | K135 L137 I138 L233 H237 | P133-K135 PolarHBondContact O-N 2.9Å; P133-L137 HydrophobicContact CB-CD2 4.09Å; P133-I138 HydrophobicContact CB-CG1 4.17Å; P133-I138 HydrophobicContact CG-CD1 4.22Å; P133-I138 HydrophobicContact CG-CG1 4.3Å; P133-L233 HydrophobicContact CB-CD1 3.86Å; P133-L233 HydrophobicContact CB-CG 4.2Å; P133-L233 HydrophobicContact CG-CD1 4.32Å; P133-L233 HydrophobicContact CG-CD2 4.08Å; P133-L233 HydrophobicContact CG-CG 4.17Å; P133-H237 WeakPolarHBondContact CA-ND1 3.45Å; P133-H237 HydrophobicContact CB-CB 4.25Å | ||
| 134 | H | 80.3 | Confident | 87.8 | Confident | 68 Ų | 68 | 80.4 Ų | 80.4 | 32% | 0.315 | 40% | 0.395 | S | S | . | . | trans | -52.8 | 143.1 | 177.8 | -70 | -91.3 | 0 | 0 | 0 | 109.3 | S129 H132 F136 L137 I138 | S129-H134 PolarHBondContact OG-CE1 3.27Å; S129-H134 PolarHBondContact OG-ND1 3.43Å; H132-H134 PolarHBondContact O-N 2.94Å; H132-H134 VanDerWaalsContact O-N 3.08Å; H134-F136 HydrophobicContact CB-CB 4.41Å; H134-F136 CarbonylContact O-C 3.52Å; H134-F136 PolarHBondContact O-N 3.49Å; H134-L137 WeakPolarHBondContact O-CB 3.25Å; H134-L137 PolarHBondContact O-N 2.9Å; H134-I138 PolarHBondContact O-N 3.41Å | ||
| 135 | K | 87.8 | Confident | 87.8 | Confident | 173 Ų | 173 | 75.4 Ų | 75.4 | 75% | 0.752 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -48.3 | -36.3 | 174.5 | -70.2 | -176.5 | 178.4 | 179.7 | 0 | 111.5 | P133 I138 Q139 | P133-K135 PolarHBondContact O-N 2.9Å; K135-I138 PolarHBondContact O-N 3.33Å; K135-Q139 WeakPolarHBondContact O-CB 3.35Å; K135-Q139 VanDerWaalsContact O-CG 3.3Å; K135-Q139 WeakPolarHBondContact O-CG 3.34Å; K135-Q139 PolarHBondContact O-N 3.14Å |
| 136 | F | 86.6 | Confident | 87.8 | Confident | 149 Ų | 149 | 75.8 Ų | 75.8 | 65% | 0.654 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -56.4 | -49.7 | 172.7 | -179.4 | -99.1 | 0 | 0 | 0 | 113.4 | H134 I138 Q139 F140 | H134-F136 HydrophobicContact CB-CB 4.41Å; H134-F136 CarbonylContact O-C 3.52Å; H134-F136 PolarHBondContact O-N 3.49Å; F136-I138 VanDerWaalsContact C-N 3.32Å; F136-I138 PolarHBondContact O-N 3.49Å; F136-Q139 PolarHBondContact O-N 2.89Å; F136-F140 WeakPolarHBondContact O-CB 3.39Å; F136-F140 PolarHBondContact O-N 3.29Å |
| 137 | L | 91.5 | Very high | 87.9 | Confident | 15 Ų | 15 | 76.5 Ų | 76.5 | 8% | 0.079 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 179.4 | -178.3 | 62.2 | 0 | 0 | 0 | 111.7 | P133 H134 L141 L233 L236 H237 L240 | P133-L137 HydrophobicContact CB-CD2 4.09Å; H134-L137 WeakPolarHBondContact O-CB 3.25Å; H134-L137 PolarHBondContact O-N 2.9Å; L137-L141 HydrophobicContact CD1-CG 4.41Å; L137-L141 WeakPolarHBondContact O-CB 3.28Å; L137-L141 PolarHBondContact O-N 3.32Å; L137-L233 HydrophobicContact CD2-CD1 4.16Å; L137-L233 HydrophobicContact CG-CD1 4.01Å; L137-L236 HydrophobicContact CD1-CD2 3.82Å; L137-L236 HydrophobicContact CD1-CG 4.27Å; L137-H237 HydrophobicContact CD2-CB 3.92Å; L137-L240 HydrophobicContact CD1-CD1 3.7Å; L137-L240 HydrophobicContact CD2-CD1 4.08Å |
| 138 | I | 92.7 | Very high | 88 | Confident | 49 Ų | 49 | 72.2 Ų | 72.2 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.1 | -50 | 176.9 | -59.5 | 173 | 0 | 0 | 0 | 110.2 | P133 H134 K135 F136 L141 N142 L233 | P133-I138 HydrophobicContact CB-CG1 4.17Å; P133-I138 HydrophobicContact CG-CD1 4.22Å; P133-I138 HydrophobicContact CG-CG1 4.3Å; H134-I138 PolarHBondContact O-N 3.41Å; K135-I138 PolarHBondContact O-N 3.33Å; F136-I138 VanDerWaalsContact C-N 3.32Å; F136-I138 PolarHBondContact O-N 3.49Å; I138-L141 PolarHBondContact O-N 2.86Å; I138-N142 WeakPolarHBondContact O-CB 3.16Å; I138-N142 PolarHBondContact O-N 2.63Å; I138-N142 PolarHBondContact O-ND2 3.45Å; I138-L233 HydrophobicContact CB-CD1 4.47Å; I138-L233 HydrophobicContact CD1-CD2 4.5Å; I138-L233 HydrophobicContact CG1-CD1 3.78Å; I138-L233 HydrophobicContact CG1-CD2 3.93Å |
| 139 | Q | 93 | Very high | 88.1 | Confident | 130 Ų | 130 | 70.1 Ų | 70.1 | 61% | 0.607 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.7 | -44.2 | 178.9 | -75.1 | 175.1 | -20.6 | 0 | 0 | 111.6 | K135 F136 N142 Y143 | K135-Q139 WeakPolarHBondContact O-CB 3.35Å; K135-Q139 VanDerWaalsContact O-CG 3.3Å; K135-Q139 WeakPolarHBondContact O-CG 3.34Å; K135-Q139 PolarHBondContact O-N 3.14Å; F136-Q139 PolarHBondContact O-N 2.89Å; Q139-N142 PolarHBondContact O-N 3.08Å; Q139-Y143 VanDerWaalsContact O-CB 3.23Å; Q139-Y143 WeakPolarHBondContact O-CB 3.19Å; Q139-Y143 PolarHBondContact O-N 2.97Å |
| 140 | F | 92.6 | Very high | 88.3 | Confident | 72 Ų | 72 | 68.3 Ų | 68.3 | 32% | 0.316 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.3 | -49.2 | 177.8 | 174.2 | -99.2 | 0 | 0 | 0 | 111.6 | F136 S144 M161 | F136-F140 WeakPolarHBondContact O-CB 3.39Å; F136-F140 PolarHBondContact O-N 3.29Å; F140-S144 VanDerWaalsContact O-CB 3.24Å; F140-S144 WeakPolarHBondContact O-CB 3.39Å; F140-S144 PolarHBondContact O-N 2.96Å; F140-S144 PolarHBondContact O-OG 2.89Å; F140-M161 HydrophobicContact CE1-CE 3.96Å; F140-M161 HydrophobicContact CZ-CE 4.06Å |
| 141 | L | 93.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.7 | -45.7 | 178.3 | -77 | -175 | 0 | 0 | 0 | 112 | L137 I138 Y143 S144 F145 M161 A173 C232 L233 L236 | L137-L141 HydrophobicContact CD1-CG 4.41Å; L137-L141 WeakPolarHBondContact O-CB 3.28Å; L137-L141 PolarHBondContact O-N 3.32Å; I138-L141 PolarHBondContact O-N 2.86Å; L141-Y143 VanDerWaalsContact C-N 3.32Å; L141-Y143 PolarHBondContact O-N 2.65Å; L141-S144 PolarHBondContact O-N 3.43Å; L141-F145 HydrophobicContact CB-CD2 4.28Å; L141-F145 HydrophobicContact CB-CE2 4.26Å; L141-F145 HydrophobicContact CD2-CE2 3.87Å; L141-F145 HydrophobicContact CG-CE2 4.49Å; L141-F145 WeakPolarHBondContact O-CD2 3.42Å; L141-F145 PolarHBondContact O-N 3.34Å; L141-M161 HydrophobicContact CD2-SD 4.22Å; L141-A173 HydrophobicContact CB-CB 3.95Å; L141-C232 HydrophobicContact CD1-CB 4.48Å; L141-L233 HydrophobicContact CD1-CB 4.08Å; L141-L233 HydrophobicContact CD1-CD1 3.89Å; L141-L236 HydrophobicContact CD1-CD2 3.99Å; L141-L236 HydrophobicContact CD2-CD2 3.68Å; L141-L236 HydrophobicContact CG-CD2 4.09Å |
| 142 | N | 93.1 | Very high | 88.9 | Confident | 67 Ų | 67 | 58.8 Ų | 58.8 | 36% | 0.358 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.1 | -45.5 | 178.5 | -72.7 | -16.5 | 0 | 0 | 0 | 111.3 | I138 Q139 H146 A173 | I138-N142 WeakPolarHBondContact O-CB 3.16Å; I138-N142 PolarHBondContact O-N 2.63Å; I138-N142 PolarHBondContact O-ND2 3.45Å; Q139-N142 PolarHBondContact O-N 3.08Å; N142-H146 VanDerWaalsContact O-CB 3.26Å; N142-H146 WeakPolarHBondContact O-CB 3.21Å; N142-H146 PolarHBondContact O-N 3.44Å; N142-A173 WeakPolarHBondContact OD1-CB 3.26Å |
| 143 | Y | 92.8 | Very high | 89.3 | Confident | 142 Ų | 142 | 54.7 Ų | 54.7 | 56% | 0.557 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -62.8 | -46.8 | 175.6 | 177.8 | -95.3 | 0 | 0 | 0 | 111.6 | Q139 L141 F145 H146 E147 | Q139-Y143 VanDerWaalsContact O-CB 3.23Å; Q139-Y143 WeakPolarHBondContact O-CB 3.19Å; Q139-Y143 PolarHBondContact O-N 2.97Å; L141-Y143 VanDerWaalsContact C-N 3.32Å; L141-Y143 PolarHBondContact O-N 2.65Å; Y143-F145 PolarHBondContact O-N 3.43Å; Y143-H146 WeakPolarHBondContact O-CB 3.19Å; Y143-H146 PolarHBondContact O-N 3.44Å; Y143-E147 HydrophobicContact CD1-CG 4.33Å; Y143-E147 HydrophobicContact CD2-CG 4.41Å; Y143-E147 HydrophobicContact CE1-CG 3.87Å; Y143-E147 HydrophobicContact CE2-CG 3.97Å; Y143-E147 WeakPolarHBondContact O-CG 3.25Å; Y143-E147 PolarHBondContact O-N 2.95Å |
| 144 | S | 92.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.007 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.5 | -38.4 | -176.8 | -58.5 | 0 | 0 | 0 | 0 | 112.8 | F140 L141 Y148 M161 | F140-S144 VanDerWaalsContact O-CB 3.24Å; F140-S144 WeakPolarHBondContact O-CB 3.39Å; F140-S144 PolarHBondContact O-N 2.96Å; F140-S144 PolarHBondContact O-OG 2.89Å; L141-S144 PolarHBondContact O-N 3.43Å; S144-Y148 PolarHBondContact O-N 3.29Å; S144-Y148 VanDerWaalsContact O-N 3.11Å; S144-M161 WeakPolarHBondContact CB-SD 3.37Å |
| 145 | F | 93.9 | Very high | 89.5 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 1% | 0.013 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -75.6 | -27.3 | 174.9 | -71.8 | -59.7 | 0 | 0 | 0 | 112.8 | L141 Y143 Y148 M161 M165 G172 A173 F179 C232 | L141-F145 HydrophobicContact CB-CD2 4.28Å; L141-F145 HydrophobicContact CB-CE2 4.26Å; L141-F145 HydrophobicContact CD2-CE2 3.87Å; L141-F145 HydrophobicContact CG-CE2 4.49Å; L141-F145 WeakPolarHBondContact O-CD2 3.42Å; L141-F145 PolarHBondContact O-N 3.34Å; Y143-F145 PolarHBondContact O-N 3.43Å; F145-Y148 WeakPolarHBondContact O-CB 3.49Å; F145-Y148 PolarHBondContact O-N 3.11Å; F145-M161 HydrophobicContact CD1-CB 4.19Å; F145-M161 HydrophobicContact CD1-CG 4.23Å; F145-M161 HydrophobicContact CD1-SD 4.44Å; F145-M161 HydrophobicContact CE1-CB 3.86Å; F145-M161 HydrophobicContact CE1-CG 4.16Å; F145-M161 HydrophobicContact CE1-SD 4.1Å; F145-M161 HydrophobicContact CE2-SD 4.37Å; F145-M161 HydrophobicContact CZ-SD 4.06Å; F145-M165 HydrophobicContact CD1-SD 4.48Å; F145-M165 HydrophobicContact CE1-CE 3.95Å; F145-M165 HydrophobicContact CE1-CG 3.84Å; F145-M165 HydrophobicContact CE1-SD 3.73Å; F145-M165 HydrophobicContact CZ-CG 4.15Å; F145-G172 VanDerWaalsContact CD2-C 3.49Å; F145-G172 WeakPolarHBondContact CE2-O 3.25Å; F145-A173 HydrophobicContact CD2-CB 3.88Å; F145-A173 HydrophobicContact CE2-CB 4.25Å; F145-A173 VanDerWaalsContact CE2-N 3.28Å; F145-F179 HydrophobicContact CB-CE1 4.37Å; F145-F179 HydrophobicContact CB-CZ 4.44Å; F145-F179 HydrophobicContact CD1-CE1 4.09Å; F145-F179 AromaticContact CD1-CZ 3.57Å; F145-F179 HydrophobicContact CD1-CZ 3.57Å; F145-F179 HydrophobicContact CE1-CZ 4.18Å; F145-F179 HydrophobicContact CG-CZ 4.3Å; F145-C232 HydrophobicContact CE2-CB 4.15Å; F145-C232 HydrophobicContact CZ-CB 4.08Å |
| 146 | H | 92.3 | Very high | 89.1 | Confident | 85 Ų | 85 | 44.5 Ų | 44.5 | 39% | 0.394 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67 | -39.6 | 170.8 | -177.8 | -80.5 | 0 | 0 | 0 | 112.2 | N142 Y143 Y148 P182 V183 K184 | N142-H146 VanDerWaalsContact O-CB 3.26Å; N142-H146 WeakPolarHBondContact O-CB 3.21Å; N142-H146 PolarHBondContact O-N 3.44Å; Y143-H146 WeakPolarHBondContact O-CB 3.19Å; Y143-H146 PolarHBondContact O-N 3.44Å; H146-Y148 VanDerWaalsContact C-N 3.3Å; H146-P182 PolarHBondContact NE2-O 3.16Å; H146-P182 VanDerWaalsContact NE2-O 3.11Å; H146-V183 HydrophobicContact CB-CG1 4.45Å; H146-K184 PolarHBondContact O-N 2.88Å |
| 147 | E | 92.5 | Very high | 89.1 | Confident | 34 Ų | 34 | 39.2 Ų | 39.2 | 16% | 0.159 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -82.5 | -5.2 | 178.1 | -69 | -62.7 | 106.9 | 0 | 0 | 113.8 | Y143 V149 K184 | Y143-E147 HydrophobicContact CD1-CG 4.33Å; Y143-E147 HydrophobicContact CD2-CG 4.41Å; Y143-E147 HydrophobicContact CE1-CG 3.87Å; Y143-E147 HydrophobicContact CE2-CG 3.97Å; Y143-E147 WeakPolarHBondContact O-CG 3.25Å; Y143-E147 PolarHBondContact O-N 2.95Å; E147-V149 PolarHBondContact O-N 3.04Å; E147-K184 VanDerWaalsContact OE1-CE 3.24Å; E147-K184 WeakPolarHBondContact OE1-CE 3.38Å; E147-K184 IonicContact OE1-NZ 3.74Å; E147-K184 PolarHBondContact OE1-NZ 3.48Å; E147-K184 WeakPolarHBondContact OE2-CE 3.41Å; E147-K184 IonicContact OE2-NZ 3.7Å; E147-K184 PolarHBondContact OE2-NZ 3.32Å |
| 148 | Y | 93 | Very high | 89 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -62.9 | 125 | 177.5 | -177.7 | -86.6 | 0 | 0 | 0 | 110.7 | S144 F145 H146 I151 S158 M161 M165 F179 K184 F185 P202 | S144-Y148 PolarHBondContact O-N 3.29Å; S144-Y148 VanDerWaalsContact O-N 3.11Å; F145-Y148 WeakPolarHBondContact O-CB 3.49Å; F145-Y148 PolarHBondContact O-N 3.11Å; H146-Y148 VanDerWaalsContact C-N 3.3Å; Y148-I151 PolarHBondContact OH-N 2.75Å; Y148-I151 VanDerWaalsContact OH-N 3.17Å; Y148-S158 VanDerWaalsContact CE2-O 3.24Å; Y148-S158 WeakPolarHBondContact CE2-O 3.34Å; Y148-M161 HydrophobicContact CD2-CB 3.88Å; Y148-M161 HydrophobicContact CE2-CB 4.36Å; Y148-M165 HydrophobicContact CD2-CE 4.16Å; Y148-M165 HydrophobicContact CE2-CE 3.71Å; Y148-F179 AromaticContact CD1-CE1 3.91Å; Y148-F179 HydrophobicContact CD1-CE1 3.91Å; Y148-F179 HydrophobicContact CG-CE1 4.07Å; Y148-K184 CarbonylContact O-C 3.42Å; Y148-F185 AromaticContact CD1-CD2 3.86Å; Y148-F185 HydrophobicContact CD1-CD2 3.86Å; Y148-F185 AromaticContact CE1-CD2 3.77Å; Y148-F185 HydrophobicContact CE1-CD2 3.77Å; Y148-F185 HydrophobicContact CE1-CE2 4.14Å; Y148-F185 VanDerWaalsContact O-CA 3.23Å; Y148-F185 WeakPolarHBondContact O-CA 3.44Å; Y148-F185 PolarHBondContact O-N 2.82Å; Y148-P202 HydrophobicContact CD1-CG 3.95Å; Y148-P202 HydrophobicContact CE1-CB 3.6Å; Y148-P202 HydrophobicContact CE1-CG 3.49Å; Y148-P202 VanDerWaalsContact CE1-CG 3.49Å | ||
| 149 | V | 92.6 | Very high | 88.6 | Confident | 42 Ų | 42 | 36.2 Ų | 36.2 | 26% | 0.255 | 18% | 0.183 | S | C | . | . | trans | -99.4 | -69.8 | 178.1 | -178.1 | 0 | 0 | 0 | 0 | 110.3 | E147 S158 K184 F185 N186 | E147-V149 PolarHBondContact O-N 3.04Å; V149-S158 PolarHBondContact N-OG 3.43Å; V149-K184 HydrophobicContact CG2-CB 3.99Å; V149-F185 CarbonylContact O-C 3.43Å; V149-F185 WeakPolarHBondContact O-CA 3.42Å; V149-F185 WeakPolarHBondContact O-CD2 3.27Å; V149-N186 HydrophobicContact CG1-CB 4.15Å; V149-N186 PolarHBondContact O-N 3.26Å | ||
| 150 | S | 89.7 | Confident | 88.4 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 3% | 0.028 | 17% | 0.165 | C | C | . | . | trans | -165.6 | 160.1 | 176.9 | 67.4 | 0 | 0 | 0 | 0 | 108.2 | S152 S153 S158 | S150-S152 VanDerWaalsContact C-N 3.26Å; S150-S152 PolarHBondContact O-N 3.37Å; S150-S152 PolarHBondContact OG-OG 3.21Å; S150-S153 WeakPolarHBondContact O-CB 3.34Å; S150-S153 PolarHBondContact O-N 3.21Å; S150-S153 PolarHBondContact O-OG 3.39Å; S150-S153 WeakPolarHBondContact OG-CB 3.41Å; S150-S153 PolarHBondContact OG-N 3.21Å; S150-S158 WeakPolarHBondContact O-CB 3.45Å | ||
| 151 | I | 84.5 | Confident | 88.4 | Confident | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -67 | -36.2 | 177.4 | -159.4 | 161.1 | 0 | 0 | 0 | 110.2 | M53 Y148 S153 M166 D189 W191 P204 | M53-I151 HydrophobicContact CG-CD1 4.48Å; M53-I151 HydrophobicContact CG-CG1 3.84Å; M53-I151 HydrophobicContact CG-CG2 4.24Å; M53-I151 HydrophobicContact SD-CB 4.49Å; M53-I151 HydrophobicContact SD-CD1 4.47Å; M53-I151 HydrophobicContact SD-CG1 3.56Å; M53-I151 VanDerWaalsContact SD-CG1 3.56Å; Y148-I151 PolarHBondContact OH-N 2.75Å; Y148-I151 VanDerWaalsContact OH-N 3.17Å; I151-S153 VanDerWaalsContact C-N 3.26Å; I151-S153 PolarHBondContact O-N 3.37Å; I151-M166 HydrophobicContact CD1-CE 3.91Å; I151-D189 WeakPolarHBondContact CG2-OD2 3.39Å; I151-D189 PolarHBondContact N-OD1 3.27Å; I151-D189 PolarHBondContact N-OD2 3.22Å; I151-D189 VanDerWaalsContact N-OD2 3.08Å; I151-W191 HydrophobicContact CD1-CE3 4.42Å; I151-W191 HydrophobicContact CD1-CZ3 3.77Å; I151-W191 HydrophobicContact CG2-CE3 3.99Å; I151-W191 HydrophobicContact CG2-CZ3 4.39Å; I151-P204 HydrophobicContact CB-CG 4.34Å; I151-P204 HydrophobicContact CD1-CG 3.7Å |
| 152 | S | 84.4 | Confident | 88.3 | Confident | 27 Ų | 27 | 28.7 Ų | 28.7 | 19% | 0.189 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -73.6 | -2.4 | 175.8 | 58.9 | 0 | 0 | 0 | 0 | 115.8 | L55 S150 G154 D189 V190 | L55-S152 WeakPolarHBondContact CD2-O 3.22Å; S150-S152 VanDerWaalsContact C-N 3.26Å; S150-S152 PolarHBondContact O-N 3.37Å; S150-S152 PolarHBondContact OG-OG 3.21Å; S152-G154 PolarHBondContact O-N 3.23Å; S152-D189 WeakPolarHBondContact CB-OD1 3.23Å; S152-D189 PolarHBondContact N-OD1 3.33Å; S152-D189 PolarHBondContact OG-OD1 2.97Å; S152-V190 PolarHBondContact OG-N 2.95Å |
| 153 | S | 82.5 | Confident | 88.1 | Confident | 47 Ų | 47 | 27 Ų | 27 | 33% | 0.329 | 14% | 0.141 | S | C | . | . | G | 310 helix | trans | -71 | -17.9 | -179.5 | 63.9 | 0 | 0 | 0 | 0 | 113.7 | S150 I151 D155 | S150-S153 WeakPolarHBondContact O-CB 3.34Å; S150-S153 PolarHBondContact O-N 3.21Å; S150-S153 PolarHBondContact O-OG 3.39Å; S150-S153 WeakPolarHBondContact OG-CB 3.41Å; S150-S153 PolarHBondContact OG-N 3.21Å; I151-S153 VanDerWaalsContact C-N 3.26Å; I151-S153 PolarHBondContact O-N 3.37Å; S153-D155 PolarHBondContact O-N 2.98Å; S153-D155 WeakPolarHBondContact OG-CB 3.02Å; S153-D155 PolarHBondContact OG-N 3.07Å |
| 154 | G | 75.4 | Confident | 88.1 | Confident | 9 Ų | 9 | 21.4 Ų | 21.4 | 9% | 0.093 | 12% | 0.12 | C | C | . | . | trans | 68.6 | 7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S152 | S152-G154 PolarHBondContact O-N 3.23Š| ||
| 155 | D | 81.5 | Confident | 88.2 | Confident | 43 Ų | 43 | 21.4 Ų | 21.4 | 23% | 0.23 | 12% | 0.12 | C | C | . | . | trans | -74.5 | 131.9 | 177.1 | 172.3 | 69.1 | 0 | 0 | 0 | 111.2 | S153 N157 S158 I159 | S153-D155 PolarHBondContact O-N 2.98Å; S153-D155 WeakPolarHBondContact OG-CB 3.02Å; S153-D155 PolarHBondContact OG-N 3.07Å; D155-N157 VanDerWaalsContact C-N 3.33Å; D155-N157 PolarHBondContact O-N 3.02Å; D155-N157 WeakPolarHBondContact OD2-CA 3.24Å; D155-N157 WeakPolarHBondContact OD2-CB 3.44Å; D155-N157 PolarHBondContact OD2-N 2.86Å; D155-S158 PolarHBondContact O-N 2.88Å; D155-S158 VanDerWaalsContact O-N 3.16Å; D155-S158 PolarHBondContact OD2-N 3Å; D155-S158 PolarHBondContact OD2-OG 2.78Å; D155-S158 VanDerWaalsContact OD2-OG 3.11Å; D155-I159 WeakPolarHBondContact O-CG1 3.3Å; D155-I159 PolarHBondContact O-N 3.48Å | ||
| 156 | P | 80.2 | Confident | 88.1 | Confident | 12 Ų | 12 | 21.8 Ų | 21.8 | 8% | 0.078 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62 | -33.4 | -176.3 | -27.1 | 35.1 | 0 | 0 | 0 | 117.1 | K70 M71 L160 | K70-P156 HydrophobicContact CD-CG 4.28Å; K70-P156 HydrophobicContact CG-CG 3.98Å; M71-P156 HydrophobicContact CE-CB 4.22Å; M71-P156 WeakPolarHBondContact SD-CA 3.23Å; M71-P156 HydrophobicContact SD-CB 3.42Å; M71-P156 WeakPolarHBondContact SD-CB 3.4Å; M71-P156 HydrophobicContact SD-CG 3.84Å; P156-L160 WeakPolarHBondContact O-CB 3.18Å; P156-L160 PolarHBondContact O-N 3.46Å; P156-L160 VanDerWaalsContact O-N 3.11Å |
| 157 | N | 85.2 | Confident | 88.1 | Confident | 39 Ų | 39 | 25.8 Ų | 25.8 | 21% | 0.209 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -71.9 | -41.6 | 176.8 | -65.4 | -31.2 | 0 | 0 | 0 | 110 | D155 I159 L160 M161 | D155-N157 VanDerWaalsContact C-N 3.33Å; D155-N157 PolarHBondContact O-N 3.02Å; D155-N157 WeakPolarHBondContact OD2-CA 3.24Å; D155-N157 WeakPolarHBondContact OD2-CB 3.44Å; D155-N157 PolarHBondContact OD2-N 2.86Å; N157-I159 PolarHBondContact O-N 2.79Å; N157-L160 PolarHBondContact O-N 3.13Å; N157-M161 WeakPolarHBondContact O-CB 3.47Å; N157-M161 VanDerWaalsContact O-CG 3.29Å; N157-M161 WeakPolarHBondContact O-CG 3.24Å; N157-M161 PolarHBondContact O-N 3.26Å |
| 158 | S | 90 | Very high | 88.2 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 179 | -57.1 | 0 | 0 | 0 | 0 | 112.2 | Y148 V149 S150 D155 G162 | Y148-S158 VanDerWaalsContact CE2-O 3.24Å; Y148-S158 WeakPolarHBondContact CE2-O 3.34Å; V149-S158 PolarHBondContact N-OG 3.43Å; S150-S158 WeakPolarHBondContact O-CB 3.45Å; D155-S158 PolarHBondContact O-N 2.88Å; D155-S158 VanDerWaalsContact O-N 3.16Å; D155-S158 PolarHBondContact OD2-N 3Å; D155-S158 PolarHBondContact OD2-OG 2.78Å; D155-S158 VanDerWaalsContact OD2-OG 3.11Å; S158-G162 PolarHBondContact O-N 3.41Å |
| 159 | I | 85.7 | Confident | 88.2 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.8 | -48.7 | 175.6 | -68.1 | 173.3 | 0 | 0 | 0 | 110.7 | W46 M53 V67 M71 D155 N157 M161 G162 L163 | W46-I159 HydrophobicContact CE3-CG2 4.13Å; W46-I159 HydrophobicContact CH2-CG2 3.82Å; W46-I159 HydrophobicContact CZ3-CG2 3.21Å; M53-I159 HydrophobicContact CE-CD1 4.32Å; M53-I159 HydrophobicContact CE-CG1 4.28Å; M53-I159 HydrophobicContact CE-CG2 4.34Å; M53-I159 HydrophobicContact SD-CD1 4.35Å; M53-I159 HydrophobicContact SD-CG1 4Å; V67-I159 HydrophobicContact CG1-CD1 3.98Å; M71-I159 HydrophobicContact CE-CB 3.76Å; M71-I159 HydrophobicContact CE-CG2 3.59Å; M71-I159 HydrophobicContact CG-CD1 4.49Å; M71-I159 HydrophobicContact SD-CB 4.07Å; M71-I159 HydrophobicContact SD-CD1 3.81Å; M71-I159 HydrophobicContact SD-CG1 4.49Å; M71-I159 HydrophobicContact SD-CG2 4.26Å; D155-I159 WeakPolarHBondContact O-CG1 3.3Å; D155-I159 PolarHBondContact O-N 3.48Å; N157-I159 PolarHBondContact O-N 2.79Å; I159-M161 PolarHBondContact O-N 3.37Å; I159-G162 PolarHBondContact O-N 3.32Å; I159-L163 WeakPolarHBondContact O-CG 3.49Å; I159-L163 PolarHBondContact O-N 2.91Å |
| 160 | L | 87.7 | Confident | 88.4 | Confident | 43 Ų | 43 | 27.5 Ų | 27.5 | 23% | 0.225 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61 | -46.5 | -179.9 | 177.9 | 63 | 0 | 0 | 0 | 111.9 | Y75 P156 N157 G162 L163 I164 | Y75-L160 WeakPolarHBondContact OH-CD2 3.46Å; P156-L160 WeakPolarHBondContact O-CB 3.18Å; P156-L160 PolarHBondContact O-N 3.46Å; P156-L160 VanDerWaalsContact O-N 3.11Å; N157-L160 PolarHBondContact O-N 3.13Å; L160-G162 VanDerWaalsContact C-N 3.29Å; L160-G162 PolarHBondContact O-N 3.41Å; L160-L163 WeakPolarHBondContact O-CB 3.4Å; L160-L163 PolarHBondContact O-N 2.82Å; L160-I164 HydrophobicContact CD1-CD1 4.3Å; L160-I164 HydrophobicContact CD1-CG1 4.5Å; L160-I164 HydrophobicContact CG-CD1 4.07Å; L160-I164 WeakPolarHBondContact O-CG1 3.43Å; L160-I164 PolarHBondContact O-N 3.01Å |
| 161 | M | 91.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65 | -35.9 | 177.6 | -68.8 | -52.1 | 117.1 | 0 | 0 | 111.6 | F140 L141 S144 F145 Y148 N157 I159 I164 M165 | F140-M161 HydrophobicContact CE1-CE 3.96Å; F140-M161 HydrophobicContact CZ-CE 4.06Å; L141-M161 HydrophobicContact CD2-SD 4.22Å; S144-M161 WeakPolarHBondContact CB-SD 3.37Å; F145-M161 HydrophobicContact CD1-CB 4.19Å; F145-M161 HydrophobicContact CD1-CG 4.23Å; F145-M161 HydrophobicContact CD1-SD 4.44Å; F145-M161 HydrophobicContact CE1-CB 3.86Å; F145-M161 HydrophobicContact CE1-CG 4.16Å; F145-M161 HydrophobicContact CE1-SD 4.1Å; F145-M161 HydrophobicContact CE2-SD 4.37Å; F145-M161 HydrophobicContact CZ-SD 4.06Å; Y148-M161 HydrophobicContact CD2-CB 3.88Å; Y148-M161 HydrophobicContact CE2-CB 4.36Å; N157-M161 WeakPolarHBondContact O-CB 3.47Å; N157-M161 VanDerWaalsContact O-CG 3.29Å; N157-M161 WeakPolarHBondContact O-CG 3.24Å; N157-M161 PolarHBondContact O-N 3.26Å; I159-M161 PolarHBondContact O-N 3.37Å; M161-I164 HydrophobicContact CE-CD1 3.68Å; M161-I164 PolarHBondContact O-N 3.08Å; M161-I164 HydrophobicContact SD-CD1 4.07Å; M161-M165 HydrophobicContact CB-CE 4.36Å; M161-M165 WeakPolarHBondContact O-CB 3.2Å; M161-M165 WeakPolarHBondContact O-CE 3.3Å; M161-M165 VanDerWaalsContact O-CG 3.32Å; M161-M165 WeakPolarHBondContact O-CG 3.17Å; M161-M165 PolarHBondContact O-N 3.17Å |
| 162 | G | 91.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.4 | -47.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S158 I159 L160 I164 M165 M166 | S158-G162 PolarHBondContact O-N 3.41Å; I159-G162 PolarHBondContact O-N 3.32Å; L160-G162 VanDerWaalsContact C-N 3.29Å; L160-G162 PolarHBondContact O-N 3.41Å; G162-I164 PolarHBondContact O-N 2.68Å; G162-M165 PolarHBondContact O-N 3.5Å; G162-M166 WeakPolarHBondContact O-CE 3.49Å; G162-M166 WeakPolarHBondContact O-CG 3.37Å; G162-M166 PolarHBondContact O-N 3.45Å |
| 163 | L | 89.1 | Confident | 89.7 | Confident | 33 Ų | 33 | 26 Ų | 26 | 17% | 0.173 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 175.4 | -69.2 | -177.7 | 0 | 0 | 0 | 112.7 | W46 Y49 I159 L160 M166 K167 | W46-L163 HydrophobicContact CH2-CD1 3.36Å; W46-L163 HydrophobicContact CZ2-CD1 4.33Å; W46-L163 HydrophobicContact CZ3-CD1 3.52Å; W46-L163 HydrophobicContact CZ3-CG 4.35Å; Y49-L163 HydrophobicContact CD1-CD2 3.42Å; Y49-L163 VanDerWaalsContact CD1-CD2 3.42Å; Y49-L163 HydrophobicContact CD2-CD2 4.03Å; Y49-L163 HydrophobicContact CE1-CD2 3.1Å; Y49-L163 HydrophobicContact CE2-CD2 3.8Å; Y49-L163 HydrophobicContact CG-CD2 3.88Å; I159-L163 WeakPolarHBondContact O-CG 3.49Å; I159-L163 PolarHBondContact O-N 2.91Å; L160-L163 WeakPolarHBondContact O-CB 3.4Å; L160-L163 PolarHBondContact O-N 2.82Å; L163-M166 HydrophobicContact CD2-CE 3.91Å; L163-M166 PolarHBondContact O-N 3.22Å; L163-K167 WeakPolarHBondContact O-CB 3.4Å; L163-K167 PolarHBondContact O-N 3.4Å |
| 164 | I | 92.9 | Very high | 90.3 | Very high | 24 Ų | 24 | 32 Ų | 32 | 12% | 0.123 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.2 | -47.2 | 178.1 | -70.7 | 170.7 | 0 | 0 | 0 | 110.3 | L160 M161 G162 K167 L168 C232 | L160-I164 HydrophobicContact CD1-CD1 4.3Å; L160-I164 HydrophobicContact CD1-CG1 4.5Å; L160-I164 HydrophobicContact CG-CD1 4.07Å; L160-I164 WeakPolarHBondContact O-CG1 3.43Å; L160-I164 PolarHBondContact O-N 3.01Å; M161-I164 HydrophobicContact CE-CD1 3.68Å; M161-I164 PolarHBondContact O-N 3.08Å; M161-I164 HydrophobicContact SD-CD1 4.07Å; G162-I164 PolarHBondContact O-N 2.68Å; I164-K167 PolarHBondContact O-N 2.89Å; I164-L168 HydrophobicContact CG2-CD1 3.92Å; I164-L168 VanDerWaalsContact O-CB 3.28Å; I164-L168 WeakPolarHBondContact O-CB 3.29Å; I164-L168 WeakPolarHBondContact O-CG 3.31Å; I164-L168 PolarHBondContact O-N 3.19Å; I164-C232 HydrophobicContact CG2-CB 4.23Å |
| 165 | M | 95 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.4 | -48.6 | 178 | -74.6 | -173.9 | -77.7 | 0 | 0 | 112.1 | F145 Y148 M161 G162 N169 C170 F179 P202 P204 C205 | F145-M165 HydrophobicContact CD1-SD 4.48Å; F145-M165 HydrophobicContact CE1-CE 3.95Å; F145-M165 HydrophobicContact CE1-CG 3.84Å; F145-M165 HydrophobicContact CE1-SD 3.73Å; F145-M165 HydrophobicContact CZ-CG 4.15Å; Y148-M165 HydrophobicContact CD2-CE 4.16Å; Y148-M165 HydrophobicContact CE2-CE 3.71Å; M161-M165 HydrophobicContact CB-CE 4.36Å; M161-M165 WeakPolarHBondContact O-CB 3.2Å; M161-M165 WeakPolarHBondContact O-CE 3.3Å; M161-M165 VanDerWaalsContact O-CG 3.32Å; M161-M165 WeakPolarHBondContact O-CG 3.17Å; M161-M165 PolarHBondContact O-N 3.17Å; G162-M165 PolarHBondContact O-N 3.5Å; M165-N169 WeakPolarHBondContact O-CA 3.4Å; M165-N169 PolarHBondContact O-N 3.49Å; M165-N169 VanDerWaalsContact O-N 3.11Å; M165-C170 VanDerWaalsContact CA-O 3.3Å; M165-C170 WeakPolarHBondContact CA-O 3.11Å; M165-C170 VanDerWaalsContact CB-O 3.23Å; M165-C170 WeakPolarHBondContact CB-O 3.45Å; M165-C170 WeakPolarHBondContact CG-O 3.48Å; M165-C170 PolarHBondContact O-N 3.32Å; M165-C170 VanDerWaalsContact O-N 3.08Å; M165-F179 HydrophobicContact CE-CZ 4.3Å; M165-F179 HydrophobicContact SD-CE2 4.2Å; M165-F179 HydrophobicContact SD-CZ 3.98Å; M165-P202 HydrophobicContact CE-CB 4.32Å; M165-P204 HydrophobicContact CB-CB 3.74Å; M165-P204 HydrophobicContact CE-CB 3.85Å; M165-P204 HydrophobicContact CE-CG 4.25Å; M165-P204 HydrophobicContact SD-CB 4.33Å; M165-C205 VanDerWaalsContact SD-SG 3.66Å |
| 166 | M | 92.3 | Very high | 91.8 | Very high | 11 Ų | 11 | 32 Ų | 32 | 5% | 0.054 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65 | -47.5 | 178.4 | -68.2 | -173.7 | -72.5 | 0 | 0 | 112.4 | Y49 I151 G162 L163 W191 P204 F208 | Y49-M166 HydrophobicContact CD1-CE 3.96Å; Y49-M166 HydrophobicContact CE1-CE 3.79Å; I151-M166 HydrophobicContact CD1-CE 3.91Å; G162-M166 WeakPolarHBondContact O-CE 3.49Å; G162-M166 WeakPolarHBondContact O-CG 3.37Å; G162-M166 PolarHBondContact O-N 3.45Å; L163-M166 HydrophobicContact CD2-CE 3.91Å; L163-M166 PolarHBondContact O-N 3.22Å; M166-W191 HydrophobicContact CE-CH2 4.49Å; M166-W191 HydrophobicContact SD-CH2 3.97Å; M166-P204 HydrophobicContact CG-CB 3.97Å; M166-F208 HydrophobicContact CB-CD2 4.24Å; M166-F208 HydrophobicContact CG-CD2 3.58Å; M166-F208 HydrophobicContact CG-CE2 3.69Å; M166-F208 HydrophobicContact CG-CG 4.14Å; M166-F208 HydrophobicContact CG-CZ 4.31Å; M166-F208 HydrophobicContact SD-CD1 4.22Å; M166-F208 HydrophobicContact SD-CD2 4.07Å; M166-F208 HydrophobicContact SD-CE1 4.13Å; M166-F208 HydrophobicContact SD-CE2 3.99Å; M166-F208 HydrophobicContact SD-CG 4.17Å; M166-F208 HydrophobicContact SD-CZ 4Å |
| 167 | K | 91.8 | Very high | 92.5 | Very high | 169 Ų | 169 | 33.4 Ų | 33.4 | 74% | 0.735 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -72.5 | -34.3 | -173.3 | -174.2 | 61.6 | 176.3 | -176.4 | 0 | 112.8 | L163 I164 | L163-K167 WeakPolarHBondContact O-CB 3.4Å; L163-K167 PolarHBondContact O-N 3.4Å; I164-K167 PolarHBondContact O-N 2.89Å |
| 168 | L | 94.3 | Very high | 92.9 | Very high | 35 Ų | 35 | 33.3 Ų | 33.3 | 18% | 0.183 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -99.4 | 4.5 | -177.2 | -56.2 | -174.4 | 0 | 0 | 0 | 113.5 | I164 C170 P235 L236 L239 | I164-L168 HydrophobicContact CG2-CD1 3.92Å; I164-L168 VanDerWaalsContact O-CB 3.28Å; I164-L168 WeakPolarHBondContact O-CB 3.29Å; I164-L168 WeakPolarHBondContact O-CG 3.31Å; I164-L168 PolarHBondContact O-N 3.19Å; L168-C170 VanDerWaalsContact C-N 3.3Å; L168-C170 PolarHBondContact O-N 3.33Å; L168-P235 HydrophobicContact CB-CB 4.21Å; L168-P235 HydrophobicContact CB-CG 4.28Å; L168-P235 HydrophobicContact CD1-CB 4.41Å; L168-L236 HydrophobicContact CD1-CB 3.82Å; L168-L236 HydrophobicContact CD1-CD1 3.99Å; L168-L236 HydrophobicContact CD1-CG 4.49Å; L168-L239 HydrophobicContact CD2-CD2 4.09Å |
| 169 | N | 94.7 | Very high | 93.1 | Very high | 76 Ų | 76 | 33.6 Ų | 33.6 | 41% | 0.406 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | 51.2 | -177.1 | -69.6 | -54.6 | 0 | 0 | 0 | 112.5 | M165 N227 | M165-N169 WeakPolarHBondContact O-CA 3.4Å; M165-N169 PolarHBondContact O-N 3.49Å; M165-N169 VanDerWaalsContact O-N 3.11Å; N169-N227 WeakPolarHBondContact CA-ND2 3.05Å; N169-N227 PolarHBondContact O-OD1 3.25Å; N169-N227 PolarHBondContact OD1-ND2 3.4Å |
| 170 | C | 96.6 | Very high | 93.2 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.007 | 18% | 0.182 | C | C | . | . | trans | -135.6 | 168.3 | -176.2 | 65 | 0 | 0 | 0 | 0 | 111.3 | M165 L168 N230 C232 P235 | M165-C170 VanDerWaalsContact CA-O 3.3Å; M165-C170 WeakPolarHBondContact CA-O 3.11Å; M165-C170 VanDerWaalsContact CB-O 3.23Å; M165-C170 WeakPolarHBondContact CB-O 3.45Å; M165-C170 WeakPolarHBondContact CG-O 3.48Å; M165-C170 PolarHBondContact O-N 3.32Å; M165-C170 VanDerWaalsContact O-N 3.08Å; L168-C170 VanDerWaalsContact C-N 3.3Å; L168-C170 PolarHBondContact O-N 3.33Å; C170-N230 CarbonylContact C-O 3.5Å; C170-N230 WeakPolarHBondContact CA-O 3.09Å; C170-N230 VanDerWaalsContact CB-O 3.26Å; C170-N230 WeakPolarHBondContact CB-O 3.2Å; C170-C232 HydrophobicContact CB-CB 3.89Å; C170-C232 WeakPolarHBondContact CB-SG 3.45Å; C170-C232 WeakPolarHBondContact SG-CA 3.3Å; C170-C232 WeakPolarHBondContact SG-CB 3.15Å; C170-C232 CovalentContact SG-SG 2.03Å; C170-C232 PolarHBondContact SG-SG 2.95Å; C170-P235 HydrophobicContact CB-CG 4.27Å | ||
| 171 | C | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -146.7 | 125.6 | 179.8 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | N175 G176 C205 N227 N230 | C171-N175 CarbonylContact O-C 3.6Å; C171-N175 WeakPolarHBondContact O-CA 3.46Å; C171-G176 PolarHBondContact O-N 3.46Å; C171-G176 WeakPolarHBondContact SG-CA 3.29Å; C171-C205 HydrophobicContact CB-CB 3.66Å; C171-C205 WeakPolarHBondContact CB-SG 3.19Å; C171-C205 WeakPolarHBondContact SG-CB 3.27Å; C171-C205 CovalentContact SG-SG 2.03Å; C171-C205 PolarHBondContact SG-SG 3.35Å; C171-N227 VanDerWaalsContact CB-O 3.31Å; C171-N227 WeakPolarHBondContact CB-O 3.48Å; C171-N230 PolarHBondContact N-O 3.11Å | ||
| 172 | G | 95 | Very high | 91.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 67.1 | 177.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F145 C232 | F145-G172 VanDerWaalsContact CD2-C 3.49Å; F145-G172 WeakPolarHBondContact CE2-O 3.25Å; G172-C232 VanDerWaalsContact O-CB 3.25Å; G172-C232 WeakPolarHBondContact O-CB 3.37Å; G172-C232 PolarHBondContact O-N 2.94Å; G172-C232 PolarHBondContact O-SG 3.19Å |
| 173 | A | 94.5 | Very high | 90.5 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 2% | 0.017 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -69.4 | -48.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L141 N142 F145 D178 G231 C232 L233 | L141-A173 HydrophobicContact CB-CB 3.95Å; N142-A173 WeakPolarHBondContact OD1-CB 3.26Å; F145-A173 HydrophobicContact CD2-CB 3.88Å; F145-A173 HydrophobicContact CE2-CB 4.25Å; F145-A173 VanDerWaalsContact CE2-N 3.28Å; A173-D178 WeakPolarHBondContact CA-OD2 3.32Å; A173-D178 PolarHBondContact N-OD2 2.95Å; A173-G231 CarbonylContact O-C 3.56Å; A173-G231 WeakPolarHBondContact O-CA 3.05Å; A173-C232 PolarHBondContact O-N 3.43Å; A173-L233 VanDerWaalsContact O-CB 3.26Å; A173-L233 WeakPolarHBondContact O-CB 3.35Å; A173-L233 PolarHBondContact O-N 2.72Å |
| 174 | R | 94.6 | Very high | 90.6 | Very high | 174 Ų | 174 | 54.6 Ų | 54.6 | 66% | 0.657 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -104.1 | -42.1 | -178.8 | -67.4 | -177.9 | 173.7 | -172.2 | -1 | 112.4 | D178 G231 | R174-D178 PolarHBondContact N-OD2 2.9Å; R174-G231 WeakPolarHBondContact O-CA 3.43Å; R174-G231 PolarHBondContact O-N 3.46Å; R174-G231 VanDerWaalsContact O-N 3.14Å |
| 175 | N | 95.5 | Very high | 90.6 | Very high | 53 Ų | 53 | 54.3 Ų | 54.3 | 28% | 0.283 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -175.7 | -177.3 | 172.4 | 64.9 | 74.6 | 0 | 0 | 0 | 108.9 | C171 S177 D178 I228 | C171-N175 CarbonylContact O-C 3.6Å; C171-N175 WeakPolarHBondContact O-CA 3.46Å; N175-S177 PolarHBondContact O-N 2.69Å; N175-S177 VanDerWaalsContact O-N 3.08Å; N175-S177 WeakPolarHBondContact OD1-CA 3.44Å; N175-S177 WeakPolarHBondContact OD1-CB 3.01Å; N175-S177 PolarHBondContact OD1-N 2.85Å; N175-S177 PolarHBondContact OD1-OG 2.97Å; N175-D178 PolarHBondContact N-OD2 2.69Å; N175-D178 WeakPolarHBondContact O-CB 3.36Å; N175-D178 PolarHBondContact O-N 3Å; N175-D178 VanDerWaalsContact O-N 3.15Å; N175-I228 WeakPolarHBondContact CB-O 3.47Å |
| 176 | G | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -60.3 | -18.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | C171 D178 F179 Y201 I228 | C171-G176 PolarHBondContact O-N 3.46Å; C171-G176 WeakPolarHBondContact SG-CA 3.29Å; G176-D178 PolarHBondContact O-N 3.11Å; G176-D178 VanDerWaalsContact O-N 3.11Å; G176-F179 WeakPolarHBondContact O-CD2 3.3Å; G176-F179 PolarHBondContact O-N 3.25Å; G176-F179 VanDerWaalsContact O-N 3.13Å; G176-Y201 VanDerWaalsContact C-CE1 3.43Å; G176-Y201 WeakPolarHBondContact O-CD1 3.4Å; G176-Y201 WeakPolarHBondContact O-CE1 3.37Å; G176-I228 PolarHBondContact N-O 2.85Å |
| 177 | S | 94.2 | Very high | 90.5 | Very high | 41 Ų | 41 | 64.5 Ų | 64.5 | 29% | 0.287 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -61.1 | -20.2 | 175.5 | 72 | 0 | 0 | 0 | 0 | 113.7 | N175 F179 Y180 | N175-S177 PolarHBondContact O-N 2.69Å; N175-S177 VanDerWaalsContact O-N 3.08Å; N175-S177 WeakPolarHBondContact OD1-CA 3.44Å; N175-S177 WeakPolarHBondContact OD1-CB 3.01Å; N175-S177 PolarHBondContact OD1-N 2.85Å; N175-S177 PolarHBondContact OD1-OG 2.97Å; S177-F179 PolarHBondContact O-N 3.24Å; S177-Y180 VanDerWaalsContact CA-CD2 3.42Å; S177-Y180 WeakPolarHBondContact O-CB 3.36Å; S177-Y180 PolarHBondContact O-N 3.45Å |
| 178 | D | 93.4 | Very high | 90.5 | Very high | 37 Ų | 37 | 59 Ų | 59 | 20% | 0.198 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -60.2 | -16.3 | 176.6 | -62.7 | -18.8 | 0 | 0 | 0 | 112.3 | A173 R174 N175 G176 V183 | A173-D178 WeakPolarHBondContact CA-OD2 3.32Å; A173-D178 PolarHBondContact N-OD2 2.95Å; R174-D178 PolarHBondContact N-OD2 2.9Å; N175-D178 PolarHBondContact N-OD2 2.69Å; N175-D178 WeakPolarHBondContact O-CB 3.36Å; N175-D178 PolarHBondContact O-N 3Å; N175-D178 VanDerWaalsContact O-N 3.15Å; G176-D178 PolarHBondContact O-N 3.11Å; G176-D178 VanDerWaalsContact O-N 3.11Å; D178-V183 WeakPolarHBondContact O-CG1 3.15Å |
| 179 | F | 93.6 | Very high | 90.3 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 2% | 0.022 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -95 | 6.9 | 175.7 | -58.6 | -72.8 | 0 | 0 | 0 | 114.8 | F145 Y148 M165 G176 S177 F185 P202 | F145-F179 HydrophobicContact CB-CE1 4.37Å; F145-F179 HydrophobicContact CB-CZ 4.44Å; F145-F179 HydrophobicContact CD1-CE1 4.09Å; F145-F179 AromaticContact CD1-CZ 3.57Å; F145-F179 HydrophobicContact CD1-CZ 3.57Å; F145-F179 HydrophobicContact CE1-CZ 4.18Å; F145-F179 HydrophobicContact CG-CZ 4.3Å; Y148-F179 AromaticContact CD1-CE1 3.91Å; Y148-F179 HydrophobicContact CD1-CE1 3.91Å; Y148-F179 HydrophobicContact CG-CE1 4.07Å; M165-F179 HydrophobicContact CE-CZ 4.3Å; M165-F179 HydrophobicContact SD-CE2 4.2Å; M165-F179 HydrophobicContact SD-CZ 3.98Å; G176-F179 WeakPolarHBondContact O-CD2 3.3Å; G176-F179 PolarHBondContact O-N 3.25Å; G176-F179 VanDerWaalsContact O-N 3.13Å; S177-F179 PolarHBondContact O-N 3.24Å; F179-F185 HydrophobicContact CB-CD1 4.13Å; F179-F185 HydrophobicContact CD1-CB 4.25Å; F179-F185 HydrophobicContact CD1-CG 4.31Å; F179-P202 HydrophobicContact CD1-CG 3.8Å; F179-P202 VanDerWaalsContact CD2-CD 3.43Å; F179-P202 HydrophobicContact CD2-CG 3.92Å; F179-P202 HydrophobicContact CE1-CG 3.6Å; F179-P202 HydrophobicContact CE2-CG 3.72Å; F179-P202 HydrophobicContact CG-CG 3.95Å; F179-P202 HydrophobicContact CZ-CG 3.56Å |
| 180 | Y | 88.4 | Confident | 90 | Very high | 116 Ų | 116 | 55.1 Ų | 55.1 | 46% | 0.455 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -30.6 | 178.5 | -72.6 | -52.3 | 0 | 0 | 0 | 115 | S177 Y201 | S177-Y180 VanDerWaalsContact CA-CD2 3.42Å; S177-Y180 WeakPolarHBondContact O-CB 3.36Å; S177-Y180 PolarHBondContact O-N 3.45Å; Y180-Y201 HydrophobicContact CE1-CE1 4.31Å; Y180-Y201 AromaticContact CE2-CE1 3.74Å; Y180-Y201 HydrophobicContact CE2-CE1 3.74Å; Y180-Y201 AromaticContact CZ-CE1 3.56Å; Y180-Y201 AromaticContact CZ-CZ 3.71Å; Y180-Y201 WeakPolarHBondContact OH-CE1 3.42Å; Y180-Y201 PolarHBondContact OH-OH 3.26Å |
| 181 | H | 77.6 | Confident | 89.5 | Confident | 139 Ų | 139 | 55.3 Ų | 55.3 | 64% | 0.644 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -79.4 | 172.7 | -179.5 | -68 | -59.7 | 0 | 0 | 0 | 110.5 | V183 | H181-V183 WeakPolarHBondContact O-CG2 3.07Å; H181-V183 PolarHBondContact O-N 3.33Å |
| 182 | P | 60.5 | Low | 89.1 | Confident | 119 Ų | 119 | 59.8 Ų | 59.8 | 77% | 0.773 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -67.8 | 84.9 | -170.9 | 28.1 | -34 | 0 | 0 | 0 | 110.9 | H146 | H146-P182 PolarHBondContact NE2-O 3.16Å; H146-P182 VanDerWaalsContact NE2-O 3.11Å |
| 183 | V | 75.8 | Confident | 88.5 | Confident | 30 Ų | 30 | 62 Ų | 62 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | trans | -108.2 | 159.4 | 177.1 | -64.2 | 0 | 0 | 0 | 0 | 108.5 | H146 D178 H181 F185 | H146-V183 HydrophobicContact CB-CG1 4.45Å; D178-V183 WeakPolarHBondContact O-CG1 3.15Å; H181-V183 WeakPolarHBondContact O-CG2 3.07Å; H181-V183 PolarHBondContact O-N 3.33Å; V183-F185 HydrophobicContact CG2-CB 3.6Å; V183-F185 PolarHBondContact O-N 3.49Å; V183-F185 VanDerWaalsContact O-N 3.08Å | ||
| 184 | K | 92.6 | Very high | 88.2 | Confident | 114 Ų | 114 | 65.2 Ų | 65.2 | 50% | 0.496 | 33% | 0.332 | S | S | . | . | trans | -72.4 | 2.7 | 179 | -63.7 | -173.6 | 176.8 | 175.4 | 0 | 114 | H146 E147 Y148 V149 N186 | H146-K184 PolarHBondContact O-N 2.88Å; E147-K184 VanDerWaalsContact OE1-CE 3.24Å; E147-K184 WeakPolarHBondContact OE1-CE 3.38Å; E147-K184 IonicContact OE1-NZ 3.74Å; E147-K184 PolarHBondContact OE1-NZ 3.48Å; E147-K184 WeakPolarHBondContact OE2-CE 3.41Å; E147-K184 IonicContact OE2-NZ 3.7Å; E147-K184 PolarHBondContact OE2-NZ 3.32Å; Y148-K184 CarbonylContact O-C 3.42Å; V149-K184 HydrophobicContact CG2-CB 3.99Å; K184-N186 PolarHBondContact O-N 2.54Å; K184-N186 VanDerWaalsContact O-N 3.1Å | ||
| 185 | F | 93.2 | Very high | 88 | Confident | 18 Ų | 18 | 61 Ų | 61 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | trans | -57.8 | 114.3 | -175 | 173.8 | -127.6 | 0 | 0 | 0 | 111.4 | Y148 V149 F179 V183 R187 L199 Y201 P202 | Y148-F185 AromaticContact CD1-CD2 3.86Å; Y148-F185 HydrophobicContact CD1-CD2 3.86Å; Y148-F185 AromaticContact CE1-CD2 3.77Å; Y148-F185 HydrophobicContact CE1-CD2 3.77Å; Y148-F185 HydrophobicContact CE1-CE2 4.14Å; Y148-F185 VanDerWaalsContact O-CA 3.23Å; Y148-F185 WeakPolarHBondContact O-CA 3.44Å; Y148-F185 PolarHBondContact O-N 2.82Å; V149-F185 CarbonylContact O-C 3.43Å; V149-F185 WeakPolarHBondContact O-CA 3.42Å; V149-F185 WeakPolarHBondContact O-CD2 3.27Å; F179-F185 HydrophobicContact CB-CD1 4.13Å; F179-F185 HydrophobicContact CD1-CB 4.25Å; F179-F185 HydrophobicContact CD1-CG 4.31Å; V183-F185 HydrophobicContact CG2-CB 3.6Å; V183-F185 PolarHBondContact O-N 3.49Å; V183-F185 VanDerWaalsContact O-N 3.08Å; F185-R187 HydrophobicContact CD1-CG 4.49Å; F185-R187 HydrophobicContact CE1-CG 4.26Å; F185-L199 HydrophobicContact CZ-CB 3.91Å; F185-Y201 VanDerWaalsContact CZ-C 3.41Å; F185-P202 HydrophobicContact CD2-CG 3.91Å; F185-P202 HydrophobicContact CE2-CB 4.04Å; F185-P202 HydrophobicContact CE2-CG 3.68Å; F185-P202 HydrophobicContact CG-CG 4.5Å; F185-P202 HydrophobicContact CZ-CB 4.49Å; F185-P202 HydrophobicContact CZ-CG 4.07Å | ||
| 186 | N | 91.6 | Very high | 87.8 | Confident | 78 Ų | 78 | 60.3 Ų | 60.3 | 42% | 0.417 | 32% | 0.32 | S | S | . | . | trans | -77.8 | 122.2 | 172.5 | -171 | -5.3 | 0 | 0 | 0 | 109 | V149 K184 T188 | V149-N186 HydrophobicContact CG1-CB 4.15Å; V149-N186 PolarHBondContact O-N 3.26Å; K184-N186 PolarHBondContact O-N 2.54Å; K184-N186 VanDerWaalsContact O-N 3.1Å; N186-T188 PolarHBondContact O-N 3.47Å; N186-T188 PolarHBondContact OD1-N 2.66Å; N186-T188 VanDerWaalsContact OD1-N 3.07Å | ||
| 187 | R | 92 | Very high | 87.7 | Confident | 147 Ų | 147 | 64.4 Ų | 64.4 | 56% | 0.555 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -74.2 | 6.7 | 177.9 | -60.5 | -171.4 | -179.4 | 137.1 | 1.8 | 113.4 | F185 T197 N198 L199 | F185-R187 HydrophobicContact CD1-CG 4.49Å; F185-R187 HydrophobicContact CE1-CG 4.26Å; R187-T197 CarbonylContact O-C 3.56Å; R187-N198 PolarHBondContact O-N 2.83Å; R187-L199 WeakPolarHBondContact CG-O 3.19Å; R187-L199 WeakPolarHBondContact O-CB 3.26Å; R187-L199 PolarHBondContact O-N 3.24Å |
| 188 | T | 91.8 | Very high | 87.6 | Confident | 54 Ų | 54 | 69 Ų | 69 | 33% | 0.331 | 37% | 0.366 | S | S | . | . | trans | -117.9 | 128.2 | 169.8 | -58.5 | 0 | 0 | 0 | 0 | 109.4 | N186 T195 Y196 T197 | N186-T188 PolarHBondContact O-N 3.47Å; N186-T188 PolarHBondContact OD1-N 2.66Å; N186-T188 VanDerWaalsContact OD1-N 3.07Å; T188-T195 HydrophobicContact CG2-CG2 3.85Å; T188-Y196 CarbonylContact C-O 3.53Å; T188-Y196 VanDerWaalsContact CA-O 3.23Å; T188-Y196 WeakPolarHBondContact CA-O 3.36Å; T188-T197 HydrophobicContact CG2-CG2 4.09Å | ||
| 189 | D | 89.8 | Confident | 87.6 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 157.7 | 179.1 | -150.7 | -11.2 | 0 | 0 | 0 | 110.5 | I151 S152 Y196 L199 V203 | I151-D189 WeakPolarHBondContact CG2-OD2 3.39Å; I151-D189 PolarHBondContact N-OD1 3.27Å; I151-D189 PolarHBondContact N-OD2 3.22Å; I151-D189 VanDerWaalsContact N-OD2 3.08Å; S152-D189 WeakPolarHBondContact CB-OD1 3.23Å; S152-D189 PolarHBondContact N-OD1 3.33Å; S152-D189 PolarHBondContact OG-OD1 2.97Å; D189-Y196 PolarHBondContact N-O 3.36Å; D189-Y196 PolarHBondContact O-N 3.35Å; D189-L199 HydrophobicContact CB-CD1 3.56Å; D189-V203 HydrophobicContact CB-CG2 3.9Å |
| 190 | V | 89 | Confident | 87.5 | Confident | 29 Ų | 29 | 74 Ų | 74 | 18% | 0.176 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.1 | 178.4 | -174.1 | 0 | 0 | 0 | 0 | 109 | N54 S152 V194 T195 | N54-V190 HydrophobicContact CB-CG1 3.58Å; S152-V190 PolarHBondContact OG-N 2.95Å; V190-V194 WeakPolarHBondContact CA-O 3.35Å; V190-T195 HydrophobicContact CG2-CG2 4.41Å |
| 191 | W | 87 | Confident | 87.8 | Confident | 6 Ų | 6 | 69.9 Ų | 69.9 | 2% | 0.023 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 129.9 | 176.4 | -175.9 | -97.7 | 0 | 0 | 0 | 110.8 | K52 M53 I151 M166 G193 V194 Y196 V203 F208 L212 | K52-W191 HydrophobicContact CB-CD2 4.32Å; K52-W191 HydrophobicContact CB-CE3 4.15Å; K52-W191 HydrophobicContact CB-CH2 3.63Å; K52-W191 HydrophobicContact CB-CZ2 3.79Å; K52-W191 HydrophobicContact CB-CZ3 3.81Å; K52-W191 HydrophobicContact CD-CZ2 4.45Å; K52-W191 HydrophobicContact CG-CH2 4.29Å; K52-W191 HydrophobicContact CG-CZ2 4.13Å; K52-W191 CarbonylContact O-C 3.59Å; K52-W191 WeakPolarHBondContact O-CA 3.4Å; M53-W191 HydrophobicContact CG-CZ3 4.32Å; I151-W191 HydrophobicContact CD1-CE3 4.42Å; I151-W191 HydrophobicContact CD1-CZ3 3.77Å; I151-W191 HydrophobicContact CG2-CE3 3.99Å; I151-W191 HydrophobicContact CG2-CZ3 4.39Å; M166-W191 HydrophobicContact CE-CH2 4.49Å; M166-W191 HydrophobicContact SD-CH2 3.97Å; W191-G193 PolarHBondContact O-N 2.9Å; W191-V194 PolarHBondContact N-O 3.28Å; W191-V194 PolarHBondContact O-N 3.21Å; W191-Y196 HydrophobicContact CB-CD2 4.43Å; W191-Y196 HydrophobicContact CB-CE2 3.96Å; W191-V203 HydrophobicContact CB-CG1 3.91Å; W191-V203 HydrophobicContact CD2-CG1 4.2Å; W191-V203 HydrophobicContact CG-CG1 3.84Å; W191-F208 AromaticContact CE2-CE1 3.66Å; W191-F208 HydrophobicContact CH2-CE1 4.21Å; W191-F208 HydrophobicContact CZ2-CD1 4.18Å; W191-F208 AromaticContact CZ2-CE1 3.38Å; W191-F208 HydrophobicContact CZ2-CE1 3.38Å; W191-F208 HydrophobicContact CZ2-CZ 4.1Å; W191-F208 AromaticContact NE1-CE1 3.79Å; W191-L212 HydrophobicContact CZ2-CB 4.48Å; W191-L212 WeakPolarHBondContact CZ2-O 3.4Å |
| 192 | N | 86.2 | Confident | 88.6 | Confident | 93 Ų | 93 | 63.3 Ų | 63.3 | 50% | 0.497 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 42.1 | -178.1 | -160 | 53.7 | 0 | 0 | 0 | 112.7 | K52 V194 | K52-N192 HydrophobicContact CD-CB 4.26Å; K52-N192 WeakPolarHBondContact CD-OD1 3.34Å; K52-N192 PolarHBondContact NZ-OD1 2.95Å; K52-N192 PolarHBondContact O-N 3.47Å; N192-V194 PolarHBondContact O-N 3.45Å |
| 193 | G | 83.4 | Confident | 90.2 | Very high | 46 Ų | 46 | 57.6 Ų | 57.6 | 47% | 0.474 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76 | -5.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | W191 | W191-G193 PolarHBondContact O-N 2.9Š|
| 194 | V | 87.3 | Confident | 91.1 | Very high | 70 Ų | 70 | 56.2 Ų | 56.2 | 42% | 0.424 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 128.3 | -179.8 | -177.5 | 0 | 0 | 0 | 0 | 110.1 | V190 W191 N192 Y196 | V190-V194 WeakPolarHBondContact CA-O 3.35Å; W191-V194 PolarHBondContact N-O 3.28Å; W191-V194 PolarHBondContact O-N 3.21Å; N192-V194 PolarHBondContact O-N 3.45Å; V194-Y196 HydrophobicContact CB-CE2 3.81Å; V194-Y196 HydrophobicContact CG1-CD1 4.48Å; V194-Y196 HydrophobicContact CG1-CD2 4.37Å; V194-Y196 HydrophobicContact CG1-CE1 4.01Å; V194-Y196 HydrophobicContact CG1-CE2 3.86Å; V194-Y196 WeakPolarHBondContact O-CD2 3.14Å; V194-Y196 WeakPolarHBondContact O-CE2 3.19Å |
| 195 | T | 90.9 | Very high | 91.2 | Very high | 87 Ų | 87 | 50.8 Ų | 50.8 | 53% | 0.534 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 121.1 | 173 | -57.1 | 0 | 0 | 0 | 0 | 109.6 | T188 V190 T197 | T188-T195 HydrophobicContact CG2-CG2 3.85Å; V190-T195 HydrophobicContact CG2-CG2 4.41Å; T195-T197 HydrophobicContact CG2-CG2 4.37Å |
| 196 | Y | 91.1 | Very high | 91.3 | Very high | 37 Ų | 37 | 50 Ų | 50 | 15% | 0.145 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 129.4 | 175.2 | -59.7 | -87.5 | 0 | 0 | 0 | 109.1 | T188 D189 W191 V194 P220 | T188-Y196 CarbonylContact C-O 3.53Å; T188-Y196 VanDerWaalsContact CA-O 3.23Å; T188-Y196 WeakPolarHBondContact CA-O 3.36Å; D189-Y196 PolarHBondContact N-O 3.36Å; D189-Y196 PolarHBondContact O-N 3.35Å; W191-Y196 HydrophobicContact CB-CD2 4.43Å; W191-Y196 HydrophobicContact CB-CE2 3.96Å; V194-Y196 HydrophobicContact CB-CE2 3.81Å; V194-Y196 HydrophobicContact CG1-CD1 4.48Å; V194-Y196 HydrophobicContact CG1-CD2 4.37Å; V194-Y196 HydrophobicContact CG1-CE1 4.01Å; V194-Y196 HydrophobicContact CG1-CE2 3.86Å; V194-Y196 WeakPolarHBondContact O-CD2 3.14Å; V194-Y196 WeakPolarHBondContact O-CE2 3.19Å; Y196-P220 HydrophobicContact CD1-CG 3.5Å; Y196-P220 HydrophobicContact CD2-CG 4.17Å; Y196-P220 VanDerWaalsContact CE1-CD 3.44Å; Y196-P220 HydrophobicContact CE1-CG 3.8Å; Y196-P220 HydrophobicContact CE2-CG 4.44Å; Y196-P220 HydrophobicContact CG-CG 3.69Å |
| 197 | T | 92.5 | Very high | 91.4 | Very high | 87 Ų | 87 | 51 Ų | 51 | 53% | 0.534 | 27% | 0.265 | S | S | . | . | trans | -115.9 | 161.4 | 177.8 | 59.2 | 0 | 0 | 0 | 0 | 110.6 | R187 T188 T195 L199 | R187-T197 CarbonylContact O-C 3.56Å; T188-T197 HydrophobicContact CG2-CG2 4.09Å; T195-T197 HydrophobicContact CG2-CG2 4.37Å; T197-L199 PolarHBondContact O-N 3.39Å | ||
| 198 | N | 91.5 | Very high | 91.4 | Very high | 138 Ų | 138 | 44.7 Ų | 44.7 | 74% | 0.738 | 24% | 0.242 | S | C | * | . | S | Bend | trans | 57 | 35 | 179.8 | -57.6 | -47.5 | 0 | 0 | 0 | 113.9 | R187 K200 | R187-N198 PolarHBondContact O-N 2.83Å; N198-K200 PolarHBondContact O-N 3.12Å |
| 199 | L | 93.4 | Very high | 91.1 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | trans | -62.8 | 129.7 | 177.8 | -68.9 | 175.5 | 0 | 0 | 0 | 111.2 | F185 R187 D189 T197 V203 P220 | F185-L199 HydrophobicContact CZ-CB 3.91Å; R187-L199 WeakPolarHBondContact CG-O 3.19Å; R187-L199 WeakPolarHBondContact O-CB 3.26Å; R187-L199 PolarHBondContact O-N 3.24Å; D189-L199 HydrophobicContact CB-CD1 3.56Å; T197-L199 PolarHBondContact O-N 3.39Å; L199-V203 HydrophobicContact CD1-CG2 3.99Å; L199-P220 HydrophobicContact CD2-CB 3.65Å; L199-P220 HydrophobicContact CD2-CG 3.67Å | ||
| 200 | K | 92.5 | Very high | 90.7 | Very high | 142 Ų | 142 | 48.2 Ų | 48.2 | 62% | 0.617 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -78.1 | -32.8 | 171.7 | -67.5 | -174.2 | 179.6 | -178.5 | 0 | 112.2 | N198 F223 | N198-K200 PolarHBondContact O-N 3.12Å; K200-F223 HydrophobicContact CB-CE2 4.46Å |
| 201 | Y | 94.4 | Very high | 90.5 | Very high | 29 Ų | 29 | 52.2 Ų | 52.2 | 11% | 0.114 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -141.2 | 160.9 | 178.2 | -49.3 | -73.9 | 0 | 0 | 0 | 109.6 | G176 Y180 F185 F223 I228 | G176-Y201 VanDerWaalsContact C-CE1 3.43Å; G176-Y201 WeakPolarHBondContact O-CD1 3.4Å; G176-Y201 WeakPolarHBondContact O-CE1 3.37Å; Y180-Y201 HydrophobicContact CE1-CE1 4.31Å; Y180-Y201 AromaticContact CE2-CE1 3.74Å; Y180-Y201 HydrophobicContact CE2-CE1 3.74Å; Y180-Y201 AromaticContact CZ-CE1 3.56Å; Y180-Y201 AromaticContact CZ-CZ 3.71Å; Y180-Y201 WeakPolarHBondContact OH-CE1 3.42Å; Y180-Y201 PolarHBondContact OH-OH 3.26Å; F185-Y201 VanDerWaalsContact CZ-C 3.41Å; Y201-F223 HydrophobicContact CD2-CB 4.35Å; Y201-F223 AromaticContact CD2-CD1 3.99Å; Y201-F223 HydrophobicContact CD2-CD1 3.99Å; Y201-F223 AromaticContact CD2-CD2 3.6Å; Y201-F223 HydrophobicContact CD2-CD2 3.6Å; Y201-F223 HydrophobicContact CD2-CE1 4.16Å; Y201-F223 AromaticContact CD2-CE2 3.77Å; Y201-F223 HydrophobicContact CD2-CE2 3.77Å; Y201-F223 AromaticContact CD2-CG 3.71Å; Y201-F223 HydrophobicContact CD2-CG 3.71Å; Y201-F223 HydrophobicContact CD2-CZ 4.06Å; Y201-F223 HydrophobicContact CE2-CB 4.47Å; Y201-F223 HydrophobicContact CE2-CD2 4.25Å; Y201-F223 HydrophobicContact CE2-CG 4.29Å; Y201-F223 HydrophobicContact CG-CE2 4.47Å; Y201-F223 HydrophobicContact CG-CZ 4.42Å; Y201-F223 WeakPolarHBondContact O-CZ 3.09Å; Y201-I228 HydrophobicContact CD2-CB 4.39Å; Y201-I228 HydrophobicContact CD2-CG2 3.54Å; Y201-I228 HydrophobicContact CE2-CB 4.2Å; Y201-I228 HydrophobicContact CE2-CD1 3.74Å; Y201-I228 HydrophobicContact CE2-CG2 3.79Å; Y201-I228 HydrophobicContact CG-CG2 3.93Å |
| 202 | P | 94.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -58.1 | 149.1 | 175.8 | -26.6 | 35 | 0 | 0 | 0 | 113.9 | Y148 M165 F179 F185 P204 C205 | Y148-P202 HydrophobicContact CD1-CG 3.95Å; Y148-P202 HydrophobicContact CE1-CB 3.6Å; Y148-P202 HydrophobicContact CE1-CG 3.49Å; Y148-P202 VanDerWaalsContact CE1-CG 3.49Å; M165-P202 HydrophobicContact CE-CB 4.32Å; F179-P202 HydrophobicContact CD1-CG 3.8Å; F179-P202 VanDerWaalsContact CD2-CD 3.43Å; F179-P202 HydrophobicContact CD2-CG 3.92Å; F179-P202 HydrophobicContact CE1-CG 3.6Å; F179-P202 HydrophobicContact CE2-CG 3.72Å; F179-P202 HydrophobicContact CG-CG 3.95Å; F179-P202 HydrophobicContact CZ-CG 3.56Å; F185-P202 HydrophobicContact CD2-CG 3.91Å; F185-P202 HydrophobicContact CE2-CB 4.04Å; F185-P202 HydrophobicContact CE2-CG 3.68Å; F185-P202 HydrophobicContact CG-CG 4.5Å; F185-P202 HydrophobicContact CZ-CB 4.49Å; F185-P202 HydrophobicContact CZ-CG 4.07Å; P202-P204 VanDerWaalsContact C-CD 3.43Å; P202-P204 VanDerWaalsContact C-N 3.3Å; P202-C205 VanDerWaalsContact O-CB 3.25Å; P202-C205 WeakPolarHBondContact O-CB 3.24Å; P202-C205 PolarHBondContact O-N 3.09Å | ||
| 203 | V | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -53.4 | -40.6 | 175.5 | -177.2 | 0 | 0 | 0 | 0 | 112.8 | D189 W191 L199 C205 C206 F208 I214 P220 | D189-V203 HydrophobicContact CB-CG2 3.9Å; W191-V203 HydrophobicContact CB-CG1 3.91Å; W191-V203 HydrophobicContact CD2-CG1 4.2Å; W191-V203 HydrophobicContact CG-CG1 3.84Å; L199-V203 HydrophobicContact CD1-CG2 3.99Å; V203-C205 PolarHBondContact O-N 3.29Å; V203-C206 VanDerWaalsContact O-CB 3.32Å; V203-C206 WeakPolarHBondContact O-CB 3.05Å; V203-C206 PolarHBondContact O-N 3.06Å; V203-C206 PolarHBondContact O-SG 3.24Å; V203-C206 VanDerWaalsContact O-SG 3.39Å; V203-F208 HydrophobicContact CG1-CZ 4.27Å; V203-I214 HydrophobicContact CG1-CD1 4.05Å; V203-P220 HydrophobicContact CG2-CB 4.42Å; V203-P220 HydrophobicContact CG2-CG 4.12Å |
| 204 | P | 93.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -59.2 | -13.7 | 175.1 | -30.8 | 40.6 | 0 | 0 | 0 | 116.1 | I151 M165 M166 P202 C206 | I151-P204 HydrophobicContact CB-CG 4.34Å; I151-P204 HydrophobicContact CD1-CG 3.7Å; M165-P204 HydrophobicContact CB-CB 3.74Å; M165-P204 HydrophobicContact CE-CB 3.85Å; M165-P204 HydrophobicContact CE-CG 4.25Å; M165-P204 HydrophobicContact SD-CB 4.33Å; M166-P204 HydrophobicContact CG-CB 3.97Å; P202-P204 VanDerWaalsContact C-CD 3.43Å; P202-P204 VanDerWaalsContact C-N 3.3Å; P204-C206 PolarHBondContact O-N 2.88Å |
| 205 | C | 95.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -76.5 | -9.6 | 173.7 | -64.8 | 0 | 0 | 0 | 0 | 113.2 | M165 C171 P202 V203 F223 N227 I228 | M165-C205 VanDerWaalsContact SD-SG 3.66Å; C171-C205 HydrophobicContact CB-CB 3.66Å; C171-C205 WeakPolarHBondContact CB-SG 3.19Å; C171-C205 WeakPolarHBondContact SG-CB 3.27Å; C171-C205 CovalentContact SG-SG 2.03Å; C171-C205 PolarHBondContact SG-SG 3.35Å; P202-C205 VanDerWaalsContact O-CB 3.25Å; P202-C205 WeakPolarHBondContact O-CB 3.24Å; P202-C205 PolarHBondContact O-N 3.09Å; V203-C205 PolarHBondContact O-N 3.29Å; C205-F223 HydrophobicContact CB-CE1 4.12Å; C205-N227 WeakPolarHBondContact O-CB 3.12Å; C205-N227 PolarHBondContact O-N 2.76Å; C205-I228 HydrophobicContact CB-CG2 4.14Å |
| 206 | C | 95.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -66.5 | 164.3 | 166.1 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | V203 P204 F208 I214 C219 N227 | V203-C206 VanDerWaalsContact O-CB 3.32Å; V203-C206 WeakPolarHBondContact O-CB 3.05Å; V203-C206 PolarHBondContact O-N 3.06Å; V203-C206 PolarHBondContact O-SG 3.24Å; V203-C206 VanDerWaalsContact O-SG 3.39Å; P204-C206 PolarHBondContact O-N 2.88Å; C206-F208 HydrophobicContact CB-CE2 3.94Å; C206-F208 HydrophobicContact CB-CZ 4.4Å; C206-F208 WeakPolarHBondContact O-CD2 3.44Å; C206-I214 HydrophobicContact CB-CG1 4.32Å; C206-I214 HydrophobicContact CB-CG2 3.99Å; C206-C219 WeakPolarHBondContact CA-SG 3.34Å; C206-C219 HydrophobicContact CB-CB 3.92Å; C206-C219 WeakPolarHBondContact CB-SG 3.34Å; C206-C219 WeakPolarHBondContact SG-CB 3.28Å; C206-C219 CovalentContact SG-SG 2.03Å; C206-C219 PolarHBondContact SG-SG 3.33Å; C206-N227 PolarHBondContact O-ND2 3.01Å; C206-N227 VanDerWaalsContact O-ND2 3.13Å |
| 207 | R | 93.6 | Very high | 90.4 | Very high | 99 Ų | 99 | 57.6 Ų | 57.6 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | trans | -84.2 | 132.9 | 169.5 | -71.9 | -170.3 | -179 | 177.9 | 1 | 110.1 | I214 Q215 N227 | R207-I214 WeakPolarHBondContact O-CA 3.46Å; R207-Q215 HydrophobicContact CB-CB 4.31Å; R207-Q215 HydrophobicContact CB-CG 4.41Å; R207-Q215 PolarHBondContact O-N 3.47Å; R207-N227 WeakPolarHBondContact CG-OD1 3.23Å | ||
| 208 | F | 90.8 | Very high | 90.2 | Very high | 15 Ų | 15 | 55 Ų | 55 | 7% | 0.066 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -112.5 | 143.8 | 178.8 | -72 | -92.9 | 0 | 0 | 0 | 111.1 | M166 W191 V203 C206 E213 I214 Q215 | M166-F208 HydrophobicContact CB-CD2 4.24Å; M166-F208 HydrophobicContact CG-CD2 3.58Å; M166-F208 HydrophobicContact CG-CE2 3.69Å; M166-F208 HydrophobicContact CG-CG 4.14Å; M166-F208 HydrophobicContact CG-CZ 4.31Å; M166-F208 HydrophobicContact SD-CD1 4.22Å; M166-F208 HydrophobicContact SD-CD2 4.07Å; M166-F208 HydrophobicContact SD-CE1 4.13Å; M166-F208 HydrophobicContact SD-CE2 3.99Å; M166-F208 HydrophobicContact SD-CG 4.17Å; M166-F208 HydrophobicContact SD-CZ 4Å; W191-F208 AromaticContact CE2-CE1 3.66Å; W191-F208 HydrophobicContact CH2-CE1 4.21Å; W191-F208 HydrophobicContact CZ2-CD1 4.18Å; W191-F208 AromaticContact CZ2-CE1 3.38Å; W191-F208 HydrophobicContact CZ2-CE1 3.38Å; W191-F208 HydrophobicContact CZ2-CZ 4.1Å; W191-F208 AromaticContact NE1-CE1 3.79Å; V203-F208 HydrophobicContact CG1-CZ 4.27Å; C206-F208 HydrophobicContact CB-CE2 3.94Å; C206-F208 HydrophobicContact CB-CZ 4.4Å; C206-F208 WeakPolarHBondContact O-CD2 3.44Å; F208-E213 CarbonylContact C-O 3.21Å; F208-E213 VanDerWaalsContact CA-O 3.24Å; F208-E213 WeakPolarHBondContact CA-O 3.45Å; F208-I214 HydrophobicContact CD1-CG1 4.25Å; F208-I214 HydrophobicContact CE1-CD1 4.48Å; F208-I214 HydrophobicContact CE1-CG1 3.55Å; F208-I214 HydrophobicContact CZ-CD1 4.39Å; F208-I214 HydrophobicContact CZ-CG1 3.73Å; F208-Q215 VanDerWaalsContact C-NE2 3.29Å; F208-Q215 PolarHBondContact O-NE2 2.7Å |
| 209 | N | 86.9 | Confident | 90.2 | Very high | 52 Ų | 52 | 48.7 Ų | 48.7 | 28% | 0.278 | 26% | 0.257 | S | S | . | . | trans | -81.3 | -179.9 | 168 | 72.2 | 8.2 | 0 | 0 | 0 | 110.9 | N211 L212 E213 Q215 | N209-N211 PolarHBondContact O-N 3.07Å; N209-N211 VanDerWaalsContact O-N 3.13Å; N209-N211 WeakPolarHBondContact OD1-CA 3.15Å; N209-N211 WeakPolarHBondContact OD1-CB 3.33Å; N209-N211 PolarHBondContact OD1-N 3.08Å; N209-L212 PolarHBondContact O-N 2.64Å; N209-L212 VanDerWaalsContact O-N 3.16Å; N209-L212 PolarHBondContact OD1-N 3.11Å; N209-E213 PolarHBondContact N-O 3.34Å; N209-E213 PolarHBondContact ND2-OE2 3.48Å; N209-E213 WeakPolarHBondContact OD1-CB 3.46Å; N209-E213 PolarHBondContact OD1-N 3.02Å; N209-Q215 HydrophobicContact CB-CG 4.15Å | ||
| 210 | G | 81.2 | Confident | 90.2 | Very high | 76 Ų | 76 | 48.6 Ų | 48.6 | 78% | 0.784 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -17.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 211 | N | 83.3 | Confident | 90 | Very high | 113 Ų | 113 | 50.5 Ų | 50.5 | 60% | 0.604 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 10.2 | 179.8 | -62.1 | -25.5 | 0 | 0 | 0 | 113.1 | N209 E213 | N209-N211 PolarHBondContact O-N 3.07Å; N209-N211 VanDerWaalsContact O-N 3.13Å; N209-N211 WeakPolarHBondContact OD1-CA 3.15Å; N209-N211 WeakPolarHBondContact OD1-CB 3.33Å; N209-N211 PolarHBondContact OD1-N 3.08Å; N211-E213 VanDerWaalsContact C-N 3.28Å; N211-E213 HydrophobicContact CB-CG 4.28Å; N211-E213 PolarHBondContact O-N 2.97Å |
| 212 | L | 84.6 | Confident | 89.8 | Confident | 20 Ų | 20 | 50.9 Ų | 50.9 | 11% | 0.105 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 62.7 | 31.9 | -176.6 | -51.9 | 171.3 | 0 | 0 | 0 | 113.5 | Y49 W191 N209 | Y49-L212 HydrophobicContact CD1-CD1 3.58Å; Y49-L212 HydrophobicContact CD1-CD2 4.31Å; Y49-L212 HydrophobicContact CD2-CD1 4.46Å; Y49-L212 HydrophobicContact CE1-CD1 3.38Å; Y49-L212 HydrophobicContact CE1-CD2 3.43Å; Y49-L212 VanDerWaalsContact CE1-CD2 3.43Å; Y49-L212 HydrophobicContact CE1-CG 4.05Å; Y49-L212 HydrophobicContact CE2-CD1 4.29Å; Y49-L212 HydrophobicContact CG-CD1 4.13Å; W191-L212 HydrophobicContact CZ2-CB 4.48Å; W191-L212 WeakPolarHBondContact CZ2-O 3.4Å; N209-L212 PolarHBondContact O-N 2.64Å; N209-L212 VanDerWaalsContact O-N 3.16Å; N209-L212 PolarHBondContact OD1-N 3.11Å |
| 213 | E | 87 | Confident | 89.6 | Confident | 94 Ų | 94 | 52 Ų | 52 | 44% | 0.439 | 28% | 0.277 | S | S | . | . | trans | -100.3 | 141.2 | 172.6 | -55.6 | 169.8 | 148.5 | 0 | 0 | 110 | F208 N209 N211 Q215 | F208-E213 CarbonylContact C-O 3.21Å; F208-E213 VanDerWaalsContact CA-O 3.24Å; F208-E213 WeakPolarHBondContact CA-O 3.45Å; N209-E213 PolarHBondContact N-O 3.34Å; N209-E213 PolarHBondContact ND2-OE2 3.48Å; N209-E213 WeakPolarHBondContact OD1-CB 3.46Å; N209-E213 PolarHBondContact OD1-N 3.02Å; N211-E213 VanDerWaalsContact C-N 3.28Å; N211-E213 HydrophobicContact CB-CG 4.28Å; N211-E213 PolarHBondContact O-N 2.97Å; E213-Q215 PolarHBondContact O-N 3.22Å | ||
| 214 | I | 90.1 | Very high | 89.3 | Confident | 31 Ų | 31 | 60.5 Ų | 60.5 | 16% | 0.159 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -68.7 | 126.3 | 176.5 | -63.1 | 173.4 | 0 | 0 | 0 | 107.9 | V203 C206 R207 F208 D216 C219 | V203-I214 HydrophobicContact CG1-CD1 4.05Å; C206-I214 HydrophobicContact CB-CG1 4.32Å; C206-I214 HydrophobicContact CB-CG2 3.99Å; R207-I214 WeakPolarHBondContact O-CA 3.46Å; F208-I214 HydrophobicContact CD1-CG1 4.25Å; F208-I214 HydrophobicContact CE1-CD1 4.48Å; F208-I214 HydrophobicContact CE1-CG1 3.55Å; F208-I214 HydrophobicContact CZ-CD1 4.39Å; F208-I214 HydrophobicContact CZ-CG1 3.73Å; I214-D216 VanDerWaalsContact CG2-O 3.28Å; I214-D216 WeakPolarHBondContact CG2-O 3.4Å; I214-C219 HydrophobicContact CG2-CB 3.97Å |
| 215 | Q | 89.3 | Confident | 89 | Confident | 115 Ų | 115 | 64.6 Ų | 64.6 | 54% | 0.537 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -78.1 | -18.5 | -175.6 | -64.5 | -174.7 | 33.1 | 0 | 0 | 114.1 | R207 F208 N209 E213 | R207-Q215 HydrophobicContact CB-CB 4.31Å; R207-Q215 HydrophobicContact CB-CG 4.41Å; R207-Q215 PolarHBondContact O-N 3.47Å; F208-Q215 VanDerWaalsContact C-NE2 3.29Å; F208-Q215 PolarHBondContact O-NE2 2.7Å; N209-Q215 HydrophobicContact CB-CG 4.15Å; E213-Q215 PolarHBondContact O-N 3.22Å |
| 216 | D | 87.5 | Confident | 88.9 | Confident | 28 Ų | 28 | 65.1 Ų | 65.1 | 15% | 0.15 | 34% | 0.339 | C | S | . | . | trans | -122.2 | 114.5 | -178.6 | 175.3 | 31.8 | 0 | 0 | 0 | 109.9 | I214 S218 C219 I225 | I214-D216 VanDerWaalsContact CG2-O 3.28Å; I214-D216 WeakPolarHBondContact CG2-O 3.4Å; D216-S218 PolarHBondContact O-N 3.37Å; D216-S218 PolarHBondContact OD1-N 2.98Å; D216-S218 PolarHBondContact OD1-OG 3.1Å; D216-S218 PolarHBondContact OD2-OG 2.78Å; D216-C219 HydrophobicContact CB-CB 4.37Å; D216-C219 WeakPolarHBondContact O-CB 3.38Å; D216-C219 PolarHBondContact O-N 2.99Å; D216-I225 HydrophobicContact CB-CB 4.03Å | ||
| 217 | D | 85.5 | Confident | 88.9 | Confident | 165 Ų | 165 | 65.2 Ų | 65.2 | 88% | 0.882 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -21.1 | 179.7 | -63.9 | -29 | 0 | 0 | 0 | 112.8 | C219 | D217-C219 VanDerWaalsContact C-N 3.32Š|
| 218 | S | 89.7 | Confident | 89 | Confident | 33 Ų | 33 | 61.1 Ų | 61.1 | 23% | 0.231 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -25.8 | 175.5 | 99 | 0 | 0 | 0 | 0 | 112.4 | D216 K221 S222 | D216-S218 PolarHBondContact O-N 3.37Å; D216-S218 PolarHBondContact OD1-N 2.98Å; D216-S218 PolarHBondContact OD1-OG 3.1Å; D216-S218 PolarHBondContact OD2-OG 2.78Å; S218-K221 CarbonylContact O-C 3.28Å; S218-K221 WeakPolarHBondContact O-CA 3.42Å; S218-K221 WeakPolarHBondContact O-CB 3.48Å; S218-K221 PolarHBondContact O-N 2.89Å; S218-S222 CarbonylContact C-O 3.5Å; S218-S222 VanDerWaalsContact C-O 3.28Å; S218-S222 PolarHBondContact O-N 3.4Å; S218-S222 PolarHBondContact OG-O 3.26Å; S218-S222 PolarHBondContact OG-OG 3.22Å; S218-S222 VanDerWaalsContact OG-OG 3.06Å |
| 219 | C | 91.9 | Very high | 89.2 | Confident | 5 Ų | 5 | 67.7 Ų | 67.7 | 3% | 0.034 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 137.6 | -178.6 | -155.8 | 0 | 0 | 0 | 0 | 111 | C206 I214 D216 D217 S222 | C206-C219 WeakPolarHBondContact CA-SG 3.34Å; C206-C219 HydrophobicContact CB-CB 3.92Å; C206-C219 WeakPolarHBondContact CB-SG 3.34Å; C206-C219 WeakPolarHBondContact SG-CB 3.28Å; C206-C219 CovalentContact SG-SG 2.03Å; C206-C219 PolarHBondContact SG-SG 3.33Å; I214-C219 HydrophobicContact CG2-CB 3.97Å; D216-C219 HydrophobicContact CB-CB 4.37Å; D216-C219 WeakPolarHBondContact O-CB 3.38Å; D216-C219 PolarHBondContact O-N 2.99Å; D217-C219 VanDerWaalsContact C-N 3.32Å; C219-S222 WeakPolarHBondContact CA-O 3.39Å; C219-S222 PolarHBondContact N-O 3.29Å |
| 220 | P | 92.1 | Very high | 89.6 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.013 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -94.4 | 11.9 | 7.2 | 39.7 | -39.6 | 0 | 0 | 0 | 114.8 | Y196 L199 V203 S222 F223 | Y196-P220 HydrophobicContact CD1-CG 3.5Å; Y196-P220 HydrophobicContact CD2-CG 4.17Å; Y196-P220 VanDerWaalsContact CE1-CD 3.44Å; Y196-P220 HydrophobicContact CE1-CG 3.8Å; Y196-P220 HydrophobicContact CE2-CG 4.44Å; Y196-P220 HydrophobicContact CG-CG 3.69Å; L199-P220 HydrophobicContact CD2-CB 3.65Å; L199-P220 HydrophobicContact CD2-CG 3.67Å; V203-P220 HydrophobicContact CG2-CB 4.42Å; V203-P220 HydrophobicContact CG2-CG 4.12Å; P220-S222 VanDerWaalsContact C-N 3.29Å; P220-F223 HydrophobicContact CB-CE1 4.29Å; P220-F223 HydrophobicContact CB-CE2 4.34Å; P220-F223 HydrophobicContact CB-CZ 3.73Å; P220-F223 WeakPolarHBondContact O-CE2 3.25Å; P220-F223 WeakPolarHBondContact O-CZ 3.26Å |
| 221 | K | 88.1 | Confident | 90.3 | Very high | 183 Ų | 183 | 66.2 Ų | 66.2 | 80% | 0.796 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -33.3 | 176.1 | -65.6 | 179.5 | 179.4 | 175.4 | 0 | 111.6 | S218 | S218-K221 CarbonylContact O-C 3.28Å; S218-K221 WeakPolarHBondContact O-CA 3.42Å; S218-K221 WeakPolarHBondContact O-CB 3.48Å; S218-K221 PolarHBondContact O-N 2.89Å |
| 222 | S | 89.9 | Confident | 90.9 | Very high | 37 Ų | 37 | 60.9 Ų | 60.9 | 26% | 0.259 | 30% | 0.304 | S | S | . | . | trans | -139.9 | 131.1 | -179.8 | 151.9 | 0 | 0 | 0 | 0 | 108.2 | S218 C219 P220 K224 | S218-S222 CarbonylContact C-O 3.5Å; S218-S222 VanDerWaalsContact C-O 3.28Å; S218-S222 PolarHBondContact O-N 3.4Å; S218-S222 PolarHBondContact OG-O 3.26Å; S218-S222 PolarHBondContact OG-OG 3.22Å; S218-S222 VanDerWaalsContact OG-OG 3.06Å; C219-S222 WeakPolarHBondContact CA-O 3.39Å; C219-S222 PolarHBondContact N-O 3.29Å; P220-S222 VanDerWaalsContact C-N 3.29Å; S222-K224 PolarHBondContact O-N 3.07Å; S222-K224 WeakPolarHBondContact OG-CG 3.42Å | ||
| 223 | F | 91.3 | Very high | 91.4 | Very high | 23 Ų | 23 | 61.3 Ų | 61.3 | 10% | 0.101 | 31% | 0.307 | C | S | . | . | trans | -101 | 37.8 | -175.4 | -71.9 | -93.5 | 0 | 0 | 0 | 112 | K200 Y201 C205 P220 S226 I228 | K200-F223 HydrophobicContact CB-CE2 4.46Å; Y201-F223 HydrophobicContact CD2-CB 4.35Å; Y201-F223 AromaticContact CD2-CD1 3.99Å; Y201-F223 HydrophobicContact CD2-CD1 3.99Å; Y201-F223 AromaticContact CD2-CD2 3.6Å; Y201-F223 HydrophobicContact CD2-CD2 3.6Å; Y201-F223 HydrophobicContact CD2-CE1 4.16Å; Y201-F223 AromaticContact CD2-CE2 3.77Å; Y201-F223 HydrophobicContact CD2-CE2 3.77Å; Y201-F223 AromaticContact CD2-CG 3.71Å; Y201-F223 HydrophobicContact CD2-CG 3.71Å; Y201-F223 HydrophobicContact CD2-CZ 4.06Å; Y201-F223 HydrophobicContact CE2-CB 4.47Å; Y201-F223 HydrophobicContact CE2-CD2 4.25Å; Y201-F223 HydrophobicContact CE2-CG 4.29Å; Y201-F223 HydrophobicContact CG-CE2 4.47Å; Y201-F223 HydrophobicContact CG-CZ 4.42Å; Y201-F223 WeakPolarHBondContact O-CZ 3.09Å; C205-F223 HydrophobicContact CB-CE1 4.12Å; P220-F223 HydrophobicContact CB-CE1 4.29Å; P220-F223 HydrophobicContact CB-CE2 4.34Å; P220-F223 HydrophobicContact CB-CZ 3.73Å; P220-F223 WeakPolarHBondContact O-CE2 3.25Å; P220-F223 WeakPolarHBondContact O-CZ 3.26Å; F223-S226 PolarHBondContact O-OG 3.06Å; F223-I228 HydrophobicContact CB-CD1 3.96Å; F223-I228 HydrophobicContact CB-CG2 4.01Å; F223-I228 HydrophobicContact CD1-CG2 3.57Å; F223-I228 HydrophobicContact CE1-CG2 4.32Å; F223-I228 HydrophobicContact CG-CG2 3.98Å | ||
| 224 | K | 88.3 | Confident | 91.7 | Very high | 179 Ų | 179 | 65.1 Ų | 65.1 | 78% | 0.778 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -60.6 | -48.7 | -178.7 | -80.2 | 177.5 | -176.9 | -175.2 | 0 | 112.1 | S222 | S222-K224 PolarHBondContact O-N 3.07Å; S222-K224 WeakPolarHBondContact OG-CG 3.42Å |
| 225 | I | 87.1 | Confident | 92 | Very high | 86 Ų | 86 | 65.5 Ų | 65.5 | 44% | 0.441 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -114.5 | 85 | 176.1 | -55.5 | 176.6 | 0 | 0 | 0 | 108.1 | D216 | D216-I225 HydrophobicContact CB-CB 4.03Š|
| 226 | S | 93 | Very high | 92.2 | Very high | 12 Ų | 12 | 60.8 Ų | 60.8 | 8% | 0.084 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -141.7 | -177.5 | -171.7 | 70.5 | 0 | 0 | 0 | 0 | 112.5 | F223 I228 | F223-S226 PolarHBondContact O-OG 3.06Å; S226-I228 WeakPolarHBondContact OG-CG1 3.05Å; S226-I228 WeakPolarHBondContact OG-CG2 3.25Å |
| 227 | N | 95.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.011 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -103.9 | 10.9 | 177.6 | -63.6 | -37.4 | 0 | 0 | 0 | 112.7 | N169 C171 C205 C206 R207 H229 N230 | N169-N227 WeakPolarHBondContact CA-ND2 3.05Å; N169-N227 PolarHBondContact O-OD1 3.25Å; N169-N227 PolarHBondContact OD1-ND2 3.4Å; C171-N227 VanDerWaalsContact CB-O 3.31Å; C171-N227 WeakPolarHBondContact CB-O 3.48Å; C205-N227 WeakPolarHBondContact O-CB 3.12Å; C205-N227 PolarHBondContact O-N 2.76Å; C206-N227 PolarHBondContact O-ND2 3.01Å; C206-N227 VanDerWaalsContact O-ND2 3.13Å; R207-N227 WeakPolarHBondContact CG-OD1 3.23Å; N227-H229 PolarHBondContact O-N 3.17Å; N227-H229 VanDerWaalsContact O-N 3.07Å; N227-N230 PolarHBondContact O-N 3.4Å |
| 228 | I | 95.7 | Very high | 92.9 | Very high | 13 Ų | 13 | 62.4 Ų | 62.4 | 7% | 0.067 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -23.1 | -172.6 | 67.6 | 174.6 | 0 | 0 | 0 | 113.9 | N175 G176 Y201 C205 F223 S226 | N175-I228 WeakPolarHBondContact CB-O 3.47Å; G176-I228 PolarHBondContact N-O 2.85Å; Y201-I228 HydrophobicContact CD2-CB 4.39Å; Y201-I228 HydrophobicContact CD2-CG2 3.54Å; Y201-I228 HydrophobicContact CE2-CB 4.2Å; Y201-I228 HydrophobicContact CE2-CD1 3.74Å; Y201-I228 HydrophobicContact CE2-CG2 3.79Å; Y201-I228 HydrophobicContact CG-CG2 3.93Å; C205-I228 HydrophobicContact CB-CG2 4.14Å; F223-I228 HydrophobicContact CB-CD1 3.96Å; F223-I228 HydrophobicContact CB-CG2 4.01Å; F223-I228 HydrophobicContact CD1-CG2 3.57Å; F223-I228 HydrophobicContact CE1-CG2 4.32Å; F223-I228 HydrophobicContact CG-CG2 3.98Å; S226-I228 WeakPolarHBondContact OG-CG1 3.05Å; S226-I228 WeakPolarHBondContact OG-CG2 3.25Å |
| 229 | H | 95.3 | Very high | 93.1 | Very high | 152 Ų | 152 | 64.3 Ų | 64.3 | 70% | 0.704 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -7.8 | -180 | -60.9 | -60.5 | 0 | 0 | 0 | 113.4 | N227 | N227-H229 PolarHBondContact O-N 3.17Å; N227-H229 VanDerWaalsContact O-N 3.07Å |
| 230 | N | 95.9 | Very high | 93.1 | Very high | 82 Ų | 82 | 67.6 Ų | 67.6 | 44% | 0.439 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -106.7 | 108.2 | -175.5 | -63.6 | -27.6 | 0 | 0 | 0 | 110 | C170 C171 N227 | C170-N230 CarbonylContact C-O 3.5Å; C170-N230 WeakPolarHBondContact CA-O 3.09Å; C170-N230 VanDerWaalsContact CB-O 3.26Å; C170-N230 WeakPolarHBondContact CB-O 3.2Å; C171-N230 PolarHBondContact N-O 3.11Å; N227-N230 PolarHBondContact O-N 3.4Å |
| 231 | G | 95.8 | Very high | 93.1 | Very high | 16 Ų | 16 | 68.5 Ų | 68.5 | 17% | 0.165 | 33% | 0.327 | C | S | . | . | trans | -71.2 | 147.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A173 R174 L233 P235 | A173-G231 CarbonylContact O-C 3.56Å; A173-G231 WeakPolarHBondContact O-CA 3.05Å; R174-G231 WeakPolarHBondContact O-CA 3.43Å; R174-G231 PolarHBondContact O-N 3.46Å; R174-G231 VanDerWaalsContact O-N 3.14Å; G231-L233 VanDerWaalsContact C-N 3.34Å; G231-L233 PolarHBondContact O-N 2.84Å; G231-P235 WeakPolarHBondContact O-CD 3.23Å | ||
| 232 | C | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -75.1 | -18.1 | -179.7 | -63.6 | 0 | 0 | 0 | 0 | 114.1 | L141 F145 I164 C170 G172 A173 K234 P235 L236 | L141-C232 HydrophobicContact CD1-CB 4.48Å; F145-C232 HydrophobicContact CE2-CB 4.15Å; F145-C232 HydrophobicContact CZ-CB 4.08Å; I164-C232 HydrophobicContact CG2-CB 4.23Å; C170-C232 HydrophobicContact CB-CB 3.89Å; C170-C232 WeakPolarHBondContact CB-SG 3.45Å; C170-C232 WeakPolarHBondContact SG-CA 3.3Å; C170-C232 WeakPolarHBondContact SG-CB 3.15Å; C170-C232 CovalentContact SG-SG 2.03Å; C170-C232 PolarHBondContact SG-SG 2.95Å; G172-C232 VanDerWaalsContact O-CB 3.25Å; G172-C232 WeakPolarHBondContact O-CB 3.37Å; G172-C232 PolarHBondContact O-N 2.94Å; G172-C232 PolarHBondContact O-SG 3.19Å; A173-C232 PolarHBondContact O-N 3.43Å; C232-K234 PolarHBondContact O-N 3.41Å; C232-P235 WeakPolarHBondContact O-CD 3.32Å; C232-P235 WeakPolarHBondContact O-CG 3.34Å; C232-L236 WeakPolarHBondContact O-CB 3.17Å; C232-L236 PolarHBondContact O-N 2.66Å |
| 233 | L | 95.1 | Very high | 93.5 | Very high | 30 Ų | 30 | 71.9 Ų | 71.9 | 16% | 0.157 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.7 | -47.5 | -175.4 | -176.7 | 67.4 | 0 | 0 | 0 | 113.2 | P133 L137 I138 L141 A173 G231 H237 | P133-L233 HydrophobicContact CB-CD1 3.86Å; P133-L233 HydrophobicContact CB-CG 4.2Å; P133-L233 HydrophobicContact CG-CD1 4.32Å; P133-L233 HydrophobicContact CG-CD2 4.08Å; P133-L233 HydrophobicContact CG-CG 4.17Å; L137-L233 HydrophobicContact CD2-CD1 4.16Å; L137-L233 HydrophobicContact CG-CD1 4.01Å; I138-L233 HydrophobicContact CB-CD1 4.47Å; I138-L233 HydrophobicContact CD1-CD2 4.5Å; I138-L233 HydrophobicContact CG1-CD1 3.78Å; I138-L233 HydrophobicContact CG1-CD2 3.93Å; L141-L233 HydrophobicContact CD1-CB 4.08Å; L141-L233 HydrophobicContact CD1-CD1 3.89Å; A173-L233 VanDerWaalsContact O-CB 3.26Å; A173-L233 WeakPolarHBondContact O-CB 3.35Å; A173-L233 PolarHBondContact O-N 2.72Å; G231-L233 VanDerWaalsContact C-N 3.34Å; G231-L233 PolarHBondContact O-N 2.84Å; L233-H237 WeakPolarHBondContact O-CB 3.26Å; L233-H237 PolarHBondContact O-N 3.46Å |
| 234 | K | 93.1 | Very high | 93.5 | Very high | 173 Ų | 173 | 73.7 Ų | 73.7 | 75% | 0.752 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -67 | -54.5 | -179.2 | -71.2 | -176.6 | 179.7 | 179.5 | 0 | 113.3 | C232 L236 H237 R238 | C232-K234 PolarHBondContact O-N 3.41Å; K234-L236 VanDerWaalsContact C-N 3.31Å; K234-L236 PolarHBondContact O-N 3.38Å; K234-H237 PolarHBondContact O-N 3.08Å; K234-R238 PolarHBondContact O-N 2.97Å |
| 235 | P | 95 | Very high | 93.7 | Very high | 39 Ų | 39 | 66.5 Ų | 66.5 | 25% | 0.253 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.9 | -36.1 | 179.5 | 25.3 | -34 | 0 | 0 | 0 | 112 | L168 C170 G231 C232 R238 L239 | L168-P235 HydrophobicContact CB-CB 4.21Å; L168-P235 HydrophobicContact CB-CG 4.28Å; L168-P235 HydrophobicContact CD1-CB 4.41Å; C170-P235 HydrophobicContact CB-CG 4.27Å; G231-P235 WeakPolarHBondContact O-CD 3.23Å; C232-P235 WeakPolarHBondContact O-CD 3.32Å; C232-P235 WeakPolarHBondContact O-CG 3.34Å; P235-R238 PolarHBondContact O-N 3.49Å; P235-L239 WeakPolarHBondContact O-CB 3.01Å; P235-L239 PolarHBondContact O-N 3.04Å |
| 236 | L | 94.6 | Very high | 94.1 | Very high | 16 Ų | 16 | 66 Ų | 66 | 8% | 0.084 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.4 | -44 | 176.4 | -175 | 59.9 | 0 | 0 | 0 | 111.6 | L137 L141 L168 C232 K234 R238 L239 L240 | L137-L236 HydrophobicContact CD1-CD2 3.82Å; L137-L236 HydrophobicContact CD1-CG 4.27Å; L141-L236 HydrophobicContact CD1-CD2 3.99Å; L141-L236 HydrophobicContact CD2-CD2 3.68Å; L141-L236 HydrophobicContact CG-CD2 4.09Å; L168-L236 HydrophobicContact CD1-CB 3.82Å; L168-L236 HydrophobicContact CD1-CD1 3.99Å; L168-L236 HydrophobicContact CD1-CG 4.49Å; C232-L236 WeakPolarHBondContact O-CB 3.17Å; C232-L236 PolarHBondContact O-N 2.66Å; K234-L236 VanDerWaalsContact C-N 3.31Å; K234-L236 PolarHBondContact O-N 3.38Å; L236-R238 VanDerWaalsContact C-N 3.3Å; L236-R238 PolarHBondContact O-N 2.55Å; L236-L239 PolarHBondContact O-N 3.03Å; L236-L240 HydrophobicContact CD1-CD1 4.15Å; L236-L240 HydrophobicContact CD1-CG 4.06Å; L236-L240 HydrophobicContact CG-CD1 3.89Å; L236-L240 HydrophobicContact CG-CG 4.24Å; L236-L240 WeakPolarHBondContact O-CB 3.32Å; L236-L240 VanDerWaalsContact O-CG 3.31Å; L236-L240 WeakPolarHBondContact O-CG 3.45Å; L236-L240 PolarHBondContact O-N 3.49Å |
| 237 | H | 93.5 | Very high | 94.1 | Very high | 30 Ų | 30 | 68 Ų | 68 | 14% | 0.139 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.8 | -43.8 | 174.5 | -178.2 | 62.8 | 0 | 0 | 0 | 111.8 | K130 H132 P133 L137 L233 K234 L240 T241 | K130-H237 PolarHBondContact O-NE2 2.91Å; H132-H237 PolarHBondContact O-CE1 2.76Å; P133-H237 WeakPolarHBondContact CA-ND1 3.45Å; P133-H237 HydrophobicContact CB-CB 4.25Å; L137-H237 HydrophobicContact CD2-CB 3.92Å; L233-H237 WeakPolarHBondContact O-CB 3.26Å; L233-H237 PolarHBondContact O-N 3.46Å; K234-H237 PolarHBondContact O-N 3.08Å; H237-L240 PolarHBondContact O-N 3.31Å; H237-T241 PolarHBondContact CE1-OG1 3.37Å; H237-T241 VanDerWaalsContact CE1-OG1 3.29Å; H237-T241 PolarHBondContact NE2-OG1 3.49Å; H237-T241 VanDerWaalsContact O-CB 3.27Å; H237-T241 WeakPolarHBondContact O-CB 3.45Å; H237-T241 PolarHBondContact O-N 3.34Å; H237-T241 PolarHBondContact O-OG1 3.19Å |
| 238 | R | 93.2 | Very high | 94.1 | Very high | 197 Ų | 197 | 68.2 Ų | 68.2 | 74% | 0.743 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -62.6 | -44.8 | 177.4 | -171.9 | -176.3 | -63.3 | 169.6 | -1 | 111.8 | K234 P235 L236 Y242 | K234-R238 PolarHBondContact O-N 2.97Å; P235-R238 PolarHBondContact O-N 3.49Å; L236-R238 VanDerWaalsContact C-N 3.3Å; L236-R238 PolarHBondContact O-N 2.55Å; R238-Y242 PolarHBondContact O-N 3.41Å; R238-Y242 VanDerWaalsContact O-N 3.09Å |
| 239 | L | 93.4 | Very high | 94 | Very high | 73 Ų | 73 | 74 Ų | 74 | 38% | 0.382 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.8 | -48.9 | 177.7 | -172.9 | 73.3 | 0 | 0 | 0 | 111.3 | L168 P235 L236 Y242 Y243 | L168-L239 HydrophobicContact CD2-CD2 4.09Å; P235-L239 WeakPolarHBondContact O-CB 3.01Å; P235-L239 PolarHBondContact O-N 3.04Å; L236-L239 PolarHBondContact O-N 3.03Å; L239-Y242 PolarHBondContact O-N 3.49Å; L239-Y243 HydrophobicContact CD1-CD2 4.25Å; L239-Y243 HydrophobicContact CD1-CE2 3.67Å; L239-Y243 HydrophobicContact CG-CD2 4.18Å; L239-Y243 HydrophobicContact CG-CE2 4Å; L239-Y243 VanDerWaalsContact O-CD2 3.29Å; L239-Y243 WeakPolarHBondContact O-CD2 3.47Å; L239-Y243 PolarHBondContact O-N 3.23Å |
| 240 | L | 92.6 | Very high | 94 | Very high | 74 Ų | 74 | 71.9 Ų | 71.9 | 39% | 0.387 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 179.4 | -71 | 175.1 | 0 | 0 | 0 | 111 | L137 L236 H237 Y242 Y243 V244 | L137-L240 HydrophobicContact CD1-CD1 3.7Å; L137-L240 HydrophobicContact CD2-CD1 4.08Å; L236-L240 HydrophobicContact CD1-CD1 4.15Å; L236-L240 HydrophobicContact CD1-CG 4.06Å; L236-L240 HydrophobicContact CG-CD1 3.89Å; L236-L240 HydrophobicContact CG-CG 4.24Å; L236-L240 WeakPolarHBondContact O-CB 3.32Å; L236-L240 VanDerWaalsContact O-CG 3.31Å; L236-L240 WeakPolarHBondContact O-CG 3.45Å; L236-L240 PolarHBondContact O-N 3.49Å; H237-L240 PolarHBondContact O-N 3.31Å; L240-Y242 VanDerWaalsContact C-N 3.28Å; L240-Y242 PolarHBondContact O-N 3.46Å; L240-Y243 PolarHBondContact O-N 2.84Å; L240-V244 VanDerWaalsContact O-CB 3.3Å; L240-V244 WeakPolarHBondContact O-CB 3.1Å; L240-V244 WeakPolarHBondContact O-CG2 3.48Å; L240-V244 PolarHBondContact O-N 3Å |
| 241 | T | 92.1 | Very high | 94 | Very high | 22 Ų | 22 | 68.9 Ų | 68.9 | 14% | 0.135 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.1 | -38.9 | 179.2 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | Y126 K130 H237 D245 | Y126-T241 PolarHBondContact OH-O 3.09Å; K130-T241 HydrophobicContact CD-CG2 4.34Å; K130-T241 HydrophobicContact CG-CG2 3.86Å; H237-T241 PolarHBondContact CE1-OG1 3.37Å; H237-T241 VanDerWaalsContact CE1-OG1 3.29Å; H237-T241 PolarHBondContact NE2-OG1 3.49Å; H237-T241 VanDerWaalsContact O-CB 3.27Å; H237-T241 WeakPolarHBondContact O-CB 3.45Å; H237-T241 PolarHBondContact O-N 3.34Å; H237-T241 PolarHBondContact O-OG1 3.19Å; T241-D245 WeakPolarHBondContact O-CB 3.39Å; T241-D245 PolarHBondContact O-N 3Å |
| 242 | Y | 92.9 | Very high | 94 | Very high | 144 Ų | 144 | 71.4 Ų | 71.4 | 57% | 0.565 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.2 | -49.7 | 176.6 | 175.5 | -98.6 | 0 | 0 | 0 | 112.6 | R238 L239 L240 I246 | R238-Y242 PolarHBondContact O-N 3.41Å; R238-Y242 VanDerWaalsContact O-N 3.09Å; L239-Y242 PolarHBondContact O-N 3.49Å; L240-Y242 VanDerWaalsContact C-N 3.28Å; L240-Y242 PolarHBondContact O-N 3.46Å; Y242-I246 HydrophobicContact CD1-CD1 4.21Å; Y242-I246 HydrophobicContact CE1-CD1 3.7Å; Y242-I246 HydrophobicContact CE2-CD1 4.34Å; Y242-I246 WeakPolarHBondContact O-CG1 3.45Å; Y242-I246 PolarHBondContact O-N 2.72Å |
| 243 | Y | 93.4 | Very high | 93.9 | Very high | 146 Ų | 146 | 76.6 Ų | 76.6 | 57% | 0.573 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -73.2 | -37.5 | 179.6 | -73 | -69.7 | 0 | 0 | 0 | 112.9 | L239 L240 D245 I246 A247 | L239-Y243 HydrophobicContact CD1-CD2 4.25Å; L239-Y243 HydrophobicContact CD1-CE2 3.67Å; L239-Y243 HydrophobicContact CG-CD2 4.18Å; L239-Y243 HydrophobicContact CG-CE2 4Å; L239-Y243 VanDerWaalsContact O-CD2 3.29Å; L239-Y243 WeakPolarHBondContact O-CD2 3.47Å; L239-Y243 PolarHBondContact O-N 3.23Å; L240-Y243 PolarHBondContact O-N 2.84Å; Y243-D245 VanDerWaalsContact C-N 3.31Å; Y243-I246 PolarHBondContact O-N 3.49Å; Y243-A247 WeakPolarHBondContact O-CB 3.48Å; Y243-A247 PolarHBondContact O-N 2.83Å |
| 244 | V | 92 | Very high | 93.9 | Very high | 61 Ų | 61 | 80 Ų | 80 | 37% | 0.37 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -68.9 | -32.5 | 177.6 | 179.5 | 0 | 0 | 0 | 0 | 110.7 | Y126 L240 A247 A248 | Y126-V244 HydrophobicContact CD2-CG1 3.7Å; Y126-V244 HydrophobicContact CE1-CG1 4.27Å; Y126-V244 HydrophobicContact CE2-CB 3.99Å; Y126-V244 HydrophobicContact CE2-CG1 3.23Å; Y126-V244 HydrophobicContact CG-CG1 4.39Å; L240-V244 VanDerWaalsContact O-CB 3.3Å; L240-V244 WeakPolarHBondContact O-CB 3.1Å; L240-V244 WeakPolarHBondContact O-CG2 3.48Å; L240-V244 PolarHBondContact O-N 3Å; V244-A247 PolarHBondContact O-N 3.31Å; V244-A248 WeakPolarHBondContact O-CB 3.39Å; V244-A248 PolarHBondContact O-N 2.73Å |
| 245 | D | 92.9 | Very high | 94 | Very high | 28 Ų | 28 | 72.8 Ų | 72.8 | 15% | 0.15 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.3 | -51.2 | 171.1 | -85.6 | -26.5 | 0 | 0 | 0 | 111.4 | Y126 K130 T241 Y243 A247 A248 Y249 | Y126-D245 PolarHBondContact OH-N 3.45Å; Y126-D245 PolarHBondContact OH-OD1 3.11Å; K130-D245 WeakPolarHBondContact CE-OD1 3.19Å; K130-D245 WeakPolarHBondContact CE-OD2 3.42Å; K130-D245 IonicContact NZ-OD1 2.66Å; K130-D245 PolarHBondContact NZ-OD1 3.15Å; K130-D245 IonicContact NZ-OD2 2.66Å; K130-D245 PolarHBondContact NZ-OD2 3.13Å; T241-D245 WeakPolarHBondContact O-CB 3.39Å; T241-D245 PolarHBondContact O-N 3Å; Y243-D245 VanDerWaalsContact C-N 3.31Å; D245-A247 VanDerWaalsContact C-N 3.3Å; D245-A247 PolarHBondContact O-N 3.38Å; D245-A248 PolarHBondContact O-N 3.47Å; D245-Y249 HydrophobicContact CB-CE2 4.4Å; D245-Y249 WeakPolarHBondContact O-CD2 3.39Å; D245-Y249 PolarHBondContact O-N 2.92Å |
| 246 | I | 94.1 | Very high | 94.1 | Very high | 75 Ų | 75 | 76.2 Ų | 76.2 | 39% | 0.385 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.5 | -47.4 | 178 | -64.4 | 167.1 | 0 | 0 | 0 | 109.9 | Y242 Y243 Y249 L250 | Y242-I246 HydrophobicContact CD1-CD1 4.21Å; Y242-I246 HydrophobicContact CE1-CD1 3.7Å; Y242-I246 HydrophobicContact CE2-CD1 4.34Å; Y242-I246 WeakPolarHBondContact O-CG1 3.45Å; Y242-I246 PolarHBondContact O-N 2.72Å; Y243-I246 PolarHBondContact O-N 3.49Å; I246-Y249 PolarHBondContact O-N 2.75Å; I246-L250 HydrophobicContact CG2-CD1 4.05Å; I246-L250 WeakPolarHBondContact O-CG 3.19Å; I246-L250 PolarHBondContact O-N 3.3Å; I246-L250 VanDerWaalsContact O-N 3.07Å |
| 247 | A | 94.3 | Very high | 94.1 | Very high | 54 Ų | 54 | 78.3 Ų | 78.3 | 45% | 0.446 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y243 V244 D245 L250 S251 | Y243-A247 WeakPolarHBondContact O-CB 3.48Å; Y243-A247 PolarHBondContact O-N 2.83Å; V244-A247 PolarHBondContact O-N 3.31Å; D245-A247 VanDerWaalsContact C-N 3.3Å; D245-A247 PolarHBondContact O-N 3.38Å; A247-L250 PolarHBondContact O-N 3Å; A247-S251 VanDerWaalsContact O-CB 3.25Å; A247-S251 WeakPolarHBondContact O-CB 3.44Å; A247-S251 PolarHBondContact O-N 2.92Å |
| 248 | A | 94.3 | Very high | 94.2 | Very high | 8 Ų | 8 | 78.9 Ų | 78.9 | 7% | 0.066 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L123 Y126 F127 V244 D245 S251 L252 | L123-A248 HydrophobicContact CD2-CB 4.19Å; Y126-A248 HydrophobicContact CD1-CB 3.95Å; Y126-A248 HydrophobicContact CE1-CB 3.77Å; F127-A248 HydrophobicContact CZ-CB 4.17Å; V244-A248 WeakPolarHBondContact O-CB 3.39Å; V244-A248 PolarHBondContact O-N 2.73Å; D245-A248 PolarHBondContact O-N 3.47Å; A248-S251 PolarHBondContact O-N 3.22Å; A248-S251 PolarHBondContact O-OG 2.96Å; A248-L252 PolarHBondContact O-N 3.39Å |
| 249 | Y | 93.7 | Very high | 94.3 | Very high | 135 Ų | 135 | 72.5 Ų | 72.5 | 53% | 0.529 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.4 | -44.4 | 176.6 | -71.8 | -61.6 | 0 | 0 | 0 | 112.6 | D245 I246 S251 L252 | D245-Y249 HydrophobicContact CB-CE2 4.4Å; D245-Y249 WeakPolarHBondContact O-CD2 3.39Å; D245-Y249 PolarHBondContact O-N 2.92Å; I246-Y249 PolarHBondContact O-N 2.75Å; Y249-S251 PolarHBondContact O-N 2.98Å; Y249-L252 HydrophobicContact CD1-CD1 4.38Å; Y249-L252 PolarHBondContact O-N 2.82Å |
| 250 | L | 95.5 | Very high | 94.4 | Very high | 106 Ų | 106 | 73.2 Ų | 73.2 | 56% | 0.555 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.6 | -36.9 | 174.5 | -70.8 | 173.2 | 0 | 0 | 0 | 111.7 | I246 A247 L252 I253 L254 | I246-L250 HydrophobicContact CG2-CD1 4.05Å; I246-L250 WeakPolarHBondContact O-CG 3.19Å; I246-L250 PolarHBondContact O-N 3.3Å; I246-L250 VanDerWaalsContact O-N 3.07Å; A247-L250 PolarHBondContact O-N 3Å; L250-L252 VanDerWaalsContact C-N 3.28Å; L250-L252 PolarHBondContact O-N 2.98Å; L250-I253 WeakPolarHBondContact O-CB 3.48Å; L250-I253 PolarHBondContact O-N 3.07Å; L250-L254 PolarHBondContact O-N 3.02Å |
| 251 | S | 95.8 | Very high | 94.5 | Very high | 19 Ų | 19 | 70.7 Ų | 70.7 | 13% | 0.133 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.4 | -22.4 | -179.2 | 84.2 | 0 | 0 | 0 | 0 | 113.5 | H119 A247 A248 Y249 I253 L254 L255 | H119-S251 PolarHBondContact CE1-O 2.03Å; H119-S251 VanDerWaalsContact NE2-CB 3.28Å; H119-S251 WeakPolarHBondContact NE2-CB 2.99Å; H119-S251 PolarHBondContact NE2-OG 2.77Å; A247-S251 VanDerWaalsContact O-CB 3.25Å; A247-S251 WeakPolarHBondContact O-CB 3.44Å; A247-S251 PolarHBondContact O-N 2.92Å; A248-S251 PolarHBondContact O-N 3.22Å; A248-S251 PolarHBondContact O-OG 2.96Å; Y249-S251 PolarHBondContact O-N 2.98Å; S251-I253 VanDerWaalsContact C-N 3.29Å; S251-I253 PolarHBondContact O-N 2.97Å; S251-L254 WeakPolarHBondContact O-CB 3.02Å; S251-L254 PolarHBondContact O-N 2.03Å; S251-L255 PolarHBondContact O-N 2.98Å |
| 252 | L | 95.3 | Very high | 94.7 | Very high | 70 Ų | 70 | 71.8 Ų | 71.8 | 37% | 0.366 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.9 | -36.5 | 173.2 | -71 | 170.3 | 0 | 0 | 0 | 111.8 | L123 A248 Y249 L250 L254 L255 L256 | L123-L252 HydrophobicContact CD1-CD2 3.79Å; A248-L252 PolarHBondContact O-N 3.39Å; Y249-L252 HydrophobicContact CD1-CD1 4.38Å; Y249-L252 PolarHBondContact O-N 2.82Å; L250-L252 VanDerWaalsContact C-N 3.28Å; L250-L252 PolarHBondContact O-N 2.98Å; L252-L254 VanDerWaalsContact C-N 3.35Å; L252-L255 PolarHBondContact O-N 3.39Å; L252-L256 WeakPolarHBondContact O-CG 3.03Å; L252-L256 PolarHBondContact O-N 3.11Å; L252-L256 VanDerWaalsContact O-N 3.17Å |
| 253 | I | 94.9 | Very high | 94.8 | Very high | 108 Ų | 108 | 69.4 Ų | 69.4 | 55% | 0.554 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.7 | -43.4 | 173.8 | -58.6 | 172.6 | 0 | 0 | 0 | 109.5 | L250 S251 L255 L256 C257 | L250-I253 WeakPolarHBondContact O-CB 3.48Å; L250-I253 PolarHBondContact O-N 3.07Å; S251-I253 VanDerWaalsContact C-N 3.29Å; S251-I253 PolarHBondContact O-N 2.97Å; I253-L255 VanDerWaalsContact C-N 3.35Å; I253-L255 PolarHBondContact O-N 3.08Å; I253-L256 PolarHBondContact O-N 2.96Å; I253-C257 PolarHBondContact O-N 3.22Å; I253-C257 PolarHBondContact O-SG 3.27Å; I253-C257 VanDerWaalsContact O-SG 3.38Å |
| 254 | L | 94.4 | Very high | 94.8 | Very high | 102 Ų | 102 | 63.9 Ų | 63.9 | 53% | 0.534 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 176.3 | -64.5 | 176.1 | 0 | 0 | 0 | 111.9 | L250 S251 L252 L256 C257 E258 | L250-L254 PolarHBondContact O-N 3.02Å; S251-L254 WeakPolarHBondContact O-CB 3.02Å; S251-L254 PolarHBondContact O-N 2.03Å; L252-L254 VanDerWaalsContact C-N 3.35Å; L254-L256 VanDerWaalsContact C-N 3.32Å; L254-L256 PolarHBondContact O-N 2.96Å; L254-C257 CarbonylContact O-C 2.99Å; L254-C257 WeakPolarHBondContact O-CA 3.31Å; L254-C257 WeakPolarHBondContact O-CB 3.08Å; L254-C257 PolarHBondContact O-N 3.48Å; L254-C257 VanDerWaalsContact O-N 3.08Å; L254-E258 WeakPolarHBondContact O-CG 3.42Å; L254-E258 PolarHBondContact O-N 2.86Å |
| 255 | L | 96.7 | Very high | 94.9 | Very high | 22 Ų | 22 | 61 Ų | 61 | 12% | 0.115 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60 | -41.8 | 176.9 | -178.9 | 62.8 | 0 | 0 | 0 | 111.8 | I116 H119 I120 L123 S251 L252 I253 C257 E258 I259 | I116-L255 HydrophobicContact CG2-CD1 4.14Å; H119-L255 HydrophobicContact CB-CD1 4.4Å; I120-L255 HydrophobicContact CG1-CD1 4.09Å; I120-L255 HydrophobicContact CG1-CD2 4.04Å; L123-L255 HydrophobicContact CD1-CD2 4.11Å; S251-L255 PolarHBondContact O-N 2.98Å; L252-L255 PolarHBondContact O-N 3.39Å; I253-L255 VanDerWaalsContact C-N 3.35Å; I253-L255 PolarHBondContact O-N 3.08Å; L255-C257 VanDerWaalsContact C-N 3.34Å; L255-E258 PolarHBondContact O-N 3.38Å; L255-I259 HydrophobicContact CD1-CD1 4.41Å; L255-I259 HydrophobicContact CG-CD1 4.18Å; L255-I259 VanDerWaalsContact O-CG1 3.31Å; L255-I259 WeakPolarHBondContact O-CG1 3.34Å; L255-I259 PolarHBondContact O-N 2.91Å |
| 256 | L | 95.9 | Very high | 94.9 | Very high | 111 Ų | 111 | 62.9 Ų | 62.9 | 58% | 0.581 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -61.9 | -43.1 | 173.9 | -70 | 173.1 | 0 | 0 | 0 | 111.4 | L252 I253 L254 I259 I260 | L252-L256 WeakPolarHBondContact O-CG 3.03Å; L252-L256 PolarHBondContact O-N 3.11Å; L252-L256 VanDerWaalsContact O-N 3.17Å; I253-L256 PolarHBondContact O-N 2.96Å; L254-L256 VanDerWaalsContact C-N 3.32Å; L254-L256 PolarHBondContact O-N 2.96Å; L256-I259 PolarHBondContact O-N 3.21Å; L256-I260 VanDerWaalsContact O-CG1 3.26Å; L256-I260 WeakPolarHBondContact O-CG1 3.46Å; L256-I260 PolarHBondContact O-N 3.06Å |
| 257 | C | 95 | Very high | 94.8 | Very high | 60 Ų | 60 | 62.7 Ų | 62.7 | 41% | 0.405 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61 | -44.1 | 174.9 | -66.3 | 0 | 0 | 0 | 0 | 112 | I253 L254 L255 I259 I260 I261 | I253-C257 PolarHBondContact O-N 3.22Å; I253-C257 PolarHBondContact O-SG 3.27Å; I253-C257 VanDerWaalsContact O-SG 3.38Å; L254-C257 CarbonylContact O-C 2.99Å; L254-C257 WeakPolarHBondContact O-CA 3.31Å; L254-C257 WeakPolarHBondContact O-CB 3.08Å; L254-C257 PolarHBondContact O-N 3.48Å; L254-C257 VanDerWaalsContact O-N 3.08Å; L255-C257 VanDerWaalsContact C-N 3.34Å; C257-I259 PolarHBondContact O-N 3.16Å; C257-I260 PolarHBondContact O-N 2.78Å; C257-I261 WeakPolarHBondContact O-CD1 3.44Å; C257-I261 VanDerWaalsContact O-CG1 3.23Å; C257-I261 WeakPolarHBondContact O-CG1 3.36Å; C257-I261 PolarHBondContact O-N 3.08Å |
| 258 | E | 95.5 | Very high | 94.7 | Very high | 42 Ų | 42 | 60.2 Ų | 60.2 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 177.6 | -72.1 | 176.3 | 179.7 | 0 | 0 | 111.9 | I116 H119 L254 L255 I260 I261 F262 | I116-E258 HydrophobicContact CD1-CB 4.12Å; I116-E258 HydrophobicContact CG1-CB 3.82Å; H119-E258 IonicContact ND1-OE2 2.63Å; L254-E258 WeakPolarHBondContact O-CG 3.42Å; L254-E258 PolarHBondContact O-N 2.86Å; L255-E258 PolarHBondContact O-N 3.38Å; E258-I260 VanDerWaalsContact C-N 3.35Å; E258-I260 PolarHBondContact O-N 2.78Å; E258-I261 PolarHBondContact O-N 3.44Å; E258-F262 VanDerWaalsContact O-CB 3.29Å; E258-F262 WeakPolarHBondContact O-CB 3.24Å; E258-F262 PolarHBondContact O-N 3.14Å |
| 259 | I | 96.7 | Very high | 94.4 | Very high | 62 Ų | 62 | 62.2 Ų | 62.2 | 32% | 0.318 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 176.8 | -68.2 | 166.3 | 0 | 0 | 0 | 110.8 | I116 L255 L256 C257 I261 F262 L263 | I116-I259 HydrophobicContact CD1-CG1 4.28Å; L255-I259 HydrophobicContact CD1-CD1 4.41Å; L255-I259 HydrophobicContact CG-CD1 4.18Å; L255-I259 VanDerWaalsContact O-CG1 3.31Å; L255-I259 WeakPolarHBondContact O-CG1 3.34Å; L255-I259 PolarHBondContact O-N 2.91Å; L256-I259 PolarHBondContact O-N 3.21Å; C257-I259 PolarHBondContact O-N 3.16Å; I259-I261 PolarHBondContact O-N 3.13Å; I259-F262 PolarHBondContact O-N 3.28Å; I259-L263 HydrophobicContact CG2-CD1 4.08Å; I259-L263 HydrophobicContact CG2-CG 4.41Å; I259-L263 VanDerWaalsContact O-CG 3.3Å; I259-L263 WeakPolarHBondContact O-CG 3.48Å; I259-L263 PolarHBondContact O-N 3.07Å |
| 260 | I | 95.3 | Very high | 94.2 | Very high | 88 Ų | 88 | 64.2 Ų | 64.2 | 45% | 0.451 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 177.6 | -68.9 | 165.7 | 0 | 0 | 0 | 110.4 | L256 C257 E258 F262 L263 M264 | L256-I260 VanDerWaalsContact O-CG1 3.26Å; L256-I260 WeakPolarHBondContact O-CG1 3.46Å; L256-I260 PolarHBondContact O-N 3.06Å; C257-I260 PolarHBondContact O-N 2.78Å; E258-I260 VanDerWaalsContact C-N 3.35Å; E258-I260 PolarHBondContact O-N 2.78Å; I260-F262 VanDerWaalsContact C-N 3.35Å; I260-F262 PolarHBondContact O-N 3.42Å; I260-L263 PolarHBondContact O-N 2.03Å; I260-M264 HydrophobicContact CG2-CE 3.54Å; I260-M264 HydrophobicContact CG2-SD 4.24Å; I260-M264 VanDerWaalsContact O-CG 3.3Å; I260-M264 WeakPolarHBondContact O-CG 3.44Å; I260-M264 PolarHBondContact O-N 3.13Å |
| 261 | I | 94.7 | Very high | 93.8 | Very high | 21 Ų | 21 | 65.8 Ų | 65.8 | 11% | 0.108 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 179.4 | -65.9 | 159.9 | 0 | 0 | 0 | 111 | L10 V13 Y108 C257 E258 I259 M264 A265 | L10-I261 HydrophobicContact CD1-CG2 4.47Å; V13-I261 HydrophobicContact CB-CD1 4.44Å; V13-I261 HydrophobicContact CG1-CD1 3.64Å; Y108-I261 HydrophobicContact CE1-CG2 4.14Å; Y108-I261 WeakPolarHBondContact OH-CG2 3.28Å; C257-I261 WeakPolarHBondContact O-CD1 3.44Å; C257-I261 VanDerWaalsContact O-CG1 3.23Å; C257-I261 WeakPolarHBondContact O-CG1 3.36Å; C257-I261 PolarHBondContact O-N 3.08Å; E258-I261 PolarHBondContact O-N 3.44Å; I259-I261 PolarHBondContact O-N 3.13Å; I261-M264 PolarHBondContact O-N 2.77Å; I261-A265 WeakPolarHBondContact O-CB 3.35Å; I261-A265 PolarHBondContact O-N 3.48Å |
| 262 | F | 95.9 | Very high | 93.1 | Very high | 46 Ų | 46 | 70.5 Ų | 70.5 | 20% | 0.202 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.6 | -47.8 | 176.1 | 178.7 | -109.1 | 0 | 0 | 0 | 111.9 | T109 I112 I116 E258 I259 I260 M264 A265 I266 | T109-F262 HydrophobicContact CG2-CD2 3.97Å; T109-F262 HydrophobicContact CG2-CE2 3.53Å; T109-F262 HydrophobicContact CG2-CZ 4.42Å; I112-F262 HydrophobicContact CB-CD2 4.47Å; I112-F262 HydrophobicContact CG2-CB 3.91Å; I112-F262 HydrophobicContact CG2-CD2 4.09Å; I112-F262 HydrophobicContact CG2-CG 4.43Å; I116-F262 HydrophobicContact CD1-CB 3.8Å; I116-F262 HydrophobicContact CD1-CG 4.07Å; E258-F262 VanDerWaalsContact O-CB 3.29Å; E258-F262 WeakPolarHBondContact O-CB 3.24Å; E258-F262 PolarHBondContact O-N 3.14Å; I259-F262 PolarHBondContact O-N 3.28Å; I260-F262 VanDerWaalsContact C-N 3.35Å; I260-F262 PolarHBondContact O-N 3.42Å; F262-M264 VanDerWaalsContact C-N 3.34Å; F262-M264 PolarHBondContact O-N 3Å; F262-A265 PolarHBondContact O-N 2.88Å; F262-I266 HydrophobicContact CD1-CD1 3.84Å; F262-I266 HydrophobicContact CD2-CD1 4.48Å; F262-I266 HydrophobicContact CE1-CD1 3.34Å; F262-I266 HydrophobicContact CE2-CD1 4.04Å; F262-I266 HydrophobicContact CG-CD1 4.39Å; F262-I266 HydrophobicContact CZ-CD1 3.47Å; F262-I266 VanDerWaalsContact CZ-CD1 3.47Å; F262-I266 HydrophobicContact CZ-CG1 4.4Å; F262-I266 WeakPolarHBondContact O-CG1 3.39Å; F262-I266 PolarHBondContact O-N 2.91Å |
| 263 | L | 95.1 | Very high | 93 | Very high | 93 Ų | 93 | 70.6 Ų | 70.6 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 175.9 | -69.1 | 174.9 | 0 | 0 | 0 | 111.5 | I259 I260 A265 I266 L267 | I259-L263 HydrophobicContact CG2-CD1 4.08Å; I259-L263 HydrophobicContact CG2-CG 4.41Å; I259-L263 VanDerWaalsContact O-CG 3.3Å; I259-L263 WeakPolarHBondContact O-CG 3.48Å; I259-L263 PolarHBondContact O-N 3.07Å; I260-L263 PolarHBondContact O-N 2.03Å; L263-A265 PolarHBondContact O-N 3.42Å; L263-I266 PolarHBondContact O-N 2.92Å; L263-L267 WeakPolarHBondContact O-CB 3.43Å; L263-L267 VanDerWaalsContact O-CG 3.22Å; L263-L267 WeakPolarHBondContact O-CG 3.21Å; L263-L267 PolarHBondContact O-N 3.02Å |
| 264 | M | 93 | Very high | 92.9 | Very high | 31 Ų | 31 | 68.6 Ų | 68.6 | 15% | 0.153 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60 | -45.2 | 174.2 | -73.3 | -179.4 | -175.8 | 0 | 0 | 111.6 | F6 V9 I260 I261 F262 I266 L267 I268 | F6-M264 HydrophobicContact CB-CB 4.34Å; F6-M264 HydrophobicContact CB-CG 4.33Å; F6-M264 HydrophobicContact CD1-CE 4.02Å; F6-M264 HydrophobicContact CD1-CG 3.9Å; F6-M264 HydrophobicContact CD1-SD 4.08Å; F6-M264 HydrophobicContact CE1-CE 4.27Å; F6-M264 HydrophobicContact CE1-CG 4.41Å; F6-M264 HydrophobicContact CG-CG 4.11Å; V9-M264 HydrophobicContact CB-SD 4.15Å; V9-M264 HydrophobicContact CG1-CE 4.18Å; V9-M264 HydrophobicContact CG1-SD 3.8Å; I260-M264 HydrophobicContact CG2-CE 3.54Å; I260-M264 HydrophobicContact CG2-SD 4.24Å; I260-M264 VanDerWaalsContact O-CG 3.3Å; I260-M264 WeakPolarHBondContact O-CG 3.44Å; I260-M264 PolarHBondContact O-N 3.13Å; I261-M264 PolarHBondContact O-N 2.77Å; F262-M264 VanDerWaalsContact C-N 3.34Å; F262-M264 PolarHBondContact O-N 3Å; M264-I266 PolarHBondContact O-N 2.83Å; M264-L267 PolarHBondContact O-N 2.83Å; M264-I268 VanDerWaalsContact O-CG1 3.24Å; M264-I268 WeakPolarHBondContact O-CG1 3.44Å; M264-I268 PolarHBondContact O-N 3.42Å |
| 265 | A | 93.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.8 | -43.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L10 L105 Y108 I261 F262 L263 I268 N269 | L10-A265 HydrophobicContact CD1-CB 3.91Å; L105-A265 HydrophobicContact CD1-CB 4.12Å; Y108-A265 HydrophobicContact CD1-CB 4.23Å; Y108-A265 HydrophobicContact CE1-CB 4.22Å; I261-A265 WeakPolarHBondContact O-CB 3.35Å; I261-A265 PolarHBondContact O-N 3.48Å; F262-A265 PolarHBondContact O-N 2.88Å; L263-A265 PolarHBondContact O-N 3.42Å; A265-I268 PolarHBondContact O-N 2.85Å; A265-N269 WeakPolarHBondContact O-CB 3.43Å; A265-N269 PolarHBondContact O-N 3.17Å |
| 266 | I | 93.5 | Very high | 92.6 | Very high | 68 Ų | 68 | 69.4 Ų | 69.4 | 35% | 0.349 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 174.8 | -69.6 | 171.3 | 0 | 0 | 0 | 111.1 | T109 F262 L263 M264 I268 N269 K270 | T109-I266 HydrophobicContact CG2-CG1 4.01Å; F262-I266 HydrophobicContact CD1-CD1 3.84Å; F262-I266 HydrophobicContact CD2-CD1 4.48Å; F262-I266 HydrophobicContact CE1-CD1 3.34Å; F262-I266 HydrophobicContact CE2-CD1 4.04Å; F262-I266 HydrophobicContact CG-CD1 4.39Å; F262-I266 HydrophobicContact CZ-CD1 3.47Å; F262-I266 VanDerWaalsContact CZ-CD1 3.47Å; F262-I266 HydrophobicContact CZ-CG1 4.4Å; F262-I266 WeakPolarHBondContact O-CG1 3.39Å; F262-I266 PolarHBondContact O-N 2.91Å; L263-I266 PolarHBondContact O-N 2.92Å; M264-I266 PolarHBondContact O-N 2.83Å; I266-I268 VanDerWaalsContact C-N 3.33Å; I266-I268 PolarHBondContact O-N 2.68Å; I266-N269 PolarHBondContact O-N 2.79Å; I266-K270 WeakPolarHBondContact O-CB 3.38Å; I266-K270 PolarHBondContact O-N 2.72Å |
| 267 | L | 92.6 | Very high | 92.4 | Very high | 71 Ų | 71 | 66.8 Ų | 66.8 | 37% | 0.372 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -64 | -37.5 | -179.8 | -72.3 | 173.1 | 0 | 0 | 0 | 112.1 | F6 L263 M264 R271 | F6-L267 HydrophobicContact CD2-CB 4.43Å; F6-L267 HydrophobicContact CE2-CB 4.4Å; F6-L267 HydrophobicContact CE2-CD1 3.87Å; F6-L267 HydrophobicContact CZ-CD1 4.34Å; L263-L267 WeakPolarHBondContact O-CB 3.43Å; L263-L267 VanDerWaalsContact O-CG 3.22Å; L263-L267 WeakPolarHBondContact O-CG 3.21Å; L263-L267 PolarHBondContact O-N 3.02Å; M264-L267 PolarHBondContact O-N 2.83Å; L267-R271 VanDerWaalsContact O-CG 3.29Å; L267-R271 WeakPolarHBondContact O-CG 3.45Å; L267-R271 PolarHBondContact O-N 3.03Å |
| 268 | I | 90.9 | Very high | 92.2 | Very high | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.9 | -46.3 | 172.9 | -67 | 164.5 | 0 | 0 | 0 | 109.8 | F6 L10 L105 M264 A265 I266 K270 R271 R272 | F6-I268 HydrophobicContact CB-CD1 3.94Å; F6-I268 HydrophobicContact CB-CG1 4Å; L10-I268 HydrophobicContact CD1-CD1 4.22Å; L105-I268 HydrophobicContact CD2-CB 4.21Å; L105-I268 HydrophobicContact CD2-CG2 3.76Å; M264-I268 VanDerWaalsContact O-CG1 3.24Å; M264-I268 WeakPolarHBondContact O-CG1 3.44Å; M264-I268 PolarHBondContact O-N 3.42Å; A265-I268 PolarHBondContact O-N 2.85Å; I266-I268 VanDerWaalsContact C-N 3.33Å; I266-I268 PolarHBondContact O-N 2.68Å; I268-K270 PolarHBondContact O-N 2.88Å; I268-R271 PolarHBondContact O-N 3.26Å; I268-R272 PolarHBondContact O-N 3.06Å |
| 269 | N | 89.4 | Confident | 92 | Very high | 50 Ų | 50 | 69 Ų | 69 | 27% | 0.267 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.7 | -37.8 | -178.8 | -171 | 58.5 | 0 | 0 | 0 | 112.6 | L105 A265 I266 R271 R272 | L105-N269 HydrophobicContact CD2-CB 3.73Å; L105-N269 HydrophobicContact CG-CB 4.41Å; A265-N269 WeakPolarHBondContact O-CB 3.43Å; A265-N269 PolarHBondContact O-N 3.17Å; I266-N269 PolarHBondContact O-N 2.79Å; N269-R271 VanDerWaalsContact C-N 3.3Å; N269-R271 PolarHBondContact O-N 3.32Å; N269-R272 PolarHBondContact O-N 3.45Å |
| 270 | K | 89.5 | Confident | 91.6 | Very high | 178 Ų | 178 | 69.5 Ų | 69.5 | 77% | 0.774 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -70 | -25 | 177.2 | -175.1 | 174.7 | 179.1 | 178.9 | 0 | 113.3 | I266 I268 | I266-K270 WeakPolarHBondContact O-CB 3.38Å; I266-K270 PolarHBondContact O-N 2.72Å; I268-K270 PolarHBondContact O-N 2.88Å |
| 271 | R | 86.6 | Confident | 91.3 | Very high | 138 Ų | 138 | 68 Ų | 68 | 52% | 0.521 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -5 | 179.9 | -71.7 | -178.3 | -170.9 | -152.4 | 5.9 | 113.5 | L267 I268 N269 | L267-R271 VanDerWaalsContact O-CG 3.29Å; L267-R271 WeakPolarHBondContact O-CG 3.45Å; L267-R271 PolarHBondContact O-N 3.03Å; I268-R271 PolarHBondContact O-N 3.26Å; N269-R271 VanDerWaalsContact C-N 3.3Å; N269-R271 PolarHBondContact O-N 3.32Å |
| 272 | R | 81.4 | Confident | 91 | Very high | 119 Ų | 119 | 72.3 Ų | 72.3 | 45% | 0.449 | 33% | 0.325 | S | S | . | . | trans | -90.3 | 0 | 171 | -74.7 | -177.6 | -174.9 | 171.2 | 4.7 | 109.5 | G96 S97 K100 S101 I268 N269 | G96-R272 PolarHBondContact O-NH1 3.48Å; G96-R272 PolarHBondContact O-NH2 3.01Å; S97-R272 PolarHBondContact O-NH2 2.82Å; K100-R272 VanDerWaalsContact CA-CZ 3.47Å; K100-R272 PolarHBondContact O-NH1 3.19Å; S101-R272 PolarHBondContact O-NH1 2.62Å; I268-R272 PolarHBondContact O-N 3.06Å; N269-R272 PolarHBondContact O-N 3.45Å |
Retrieved 272 of 272 residues in 93.5 ms
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