| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 60.1 | Low | 84.4 | Confident | 184 Ų | 184 | 82.5 Ų | 82.5 | 91% | 0.906 | 38% | 0.383 | S | S | * | . | 0 | -59 | 0 | -72.7 | -156.2 | -62.3 | 0 | 0 | 114 | H3 L4 L5 | M1-H3 VanDerWaalsContact C-N 3.29Å; M1-H3 PolarHBondContact N-CE1 2.55Å; M1-H3 PolarHBondContact N-NE2 2.79Å; M1-H3 PolarHBondContact O-N 3.12Å; M1-L4 WeakPolarHBondContact O-CB 3.16Å; M1-L4 PolarHBondContact O-N 3.39Å; M1-L5 PolarHBondContact O-N 3.08Å | |||
| 2 | K | 67 | Low | 85.4 | Confident | 173 Ų | 173 | 79.8 Ų | 79.8 | 75% | 0.752 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -55.9 | -39 | -177.2 | -71.7 | -172.6 | 178.9 | -178.7 | 0 | 114.1 | L4 L5 L6 | K2-L4 PolarHBondContact O-N 3.13Å; K2-L5 PolarHBondContact O-N 2.82Å; K2-L6 PolarHBondContact O-N 2.95Å |
| 3 | H | 72.5 | Confident | 86.2 | Confident | 65 Ų | 65 | 78.5 Ų | 78.5 | 30% | 0.301 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.4 | -12.6 | 175.1 | 52.8 | -110.2 | 0 | 0 | 0 | 114.7 | M1 P7 S107 I131 S134 | M1-H3 VanDerWaalsContact C-N 3.29Å; M1-H3 PolarHBondContact N-CE1 2.55Å; M1-H3 PolarHBondContact N-NE2 2.79Å; M1-H3 PolarHBondContact O-N 3.12Å; H3-P7 WeakPolarHBondContact O-CD 3.43Å; H3-P7 WeakPolarHBondContact O-CG 3.35Å; H3-S107 PolarHBondContact CD2-OG 3.38Å; H3-I131 HydrophobicContact CB-CG1 4.35Å; H3-S134 PolarHBondContact O-OG 3.27Å; H3-S134 VanDerWaalsContact O-OG 3.07Å |
| 4 | L | 80.7 | Confident | 86.9 | Confident | 70 Ų | 70 | 75.1 Ų | 75.1 | 37% | 0.366 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -98.7 | -44.9 | 174.8 | -173.9 | 74.3 | 0 | 0 | 0 | 110.5 | M1 K2 F8 S103 L104 | M1-L4 WeakPolarHBondContact O-CB 3.16Å; M1-L4 PolarHBondContact O-N 3.39Å; K2-L4 PolarHBondContact O-N 3.13Å; L4-F8 WeakPolarHBondContact O-CB 3.21Å; L4-F8 PolarHBondContact O-N 3.29Å; L4-F8 VanDerWaalsContact O-N 3.13Å; L4-S103 WeakPolarHBondContact CD1-OG 3.29Å; L4-S103 PolarHBondContact O-OG 3.12Å; L4-L104 HydrophobicContact CD1-CD2 3.95Å |
| 5 | L | 88 | Confident | 87.6 | Confident | 85 Ų | 85 | 70.7 Ų | 70.7 | 45% | 0.445 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.5 | -39.2 | -171.9 | -170.9 | 65.4 | 0 | 0 | 0 | 113.2 | M1 K2 F8 R9 | M1-L5 PolarHBondContact O-N 3.08Å; K2-L5 PolarHBondContact O-N 2.82Å; L5-F8 PolarHBondContact O-N 3.02Å; L5-R9 VanDerWaalsContact O-CG 3.31Å; L5-R9 WeakPolarHBondContact O-CG 3.2Å; L5-R9 PolarHBondContact O-N 3.19Å |
| 6 | L | 88.9 | Confident | 88.2 | Confident | 72 Ų | 72 | 69.1 Ų | 69.1 | 38% | 0.377 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67 | -51.3 | 179.8 | 175.8 | 65.8 | 0 | 0 | 0 | 111.8 | K2 F8 R9 I10 F135 | K2-L6 PolarHBondContact O-N 2.95Å; L6-F8 VanDerWaalsContact C-N 3.26Å; L6-F8 PolarHBondContact O-N 3.43Å; L6-R9 PolarHBondContact O-N 2.59Å; L6-I10 HydrophobicContact CD1-CD1 3.99Å; L6-I10 HydrophobicContact CD1-CG1 4.31Å; L6-I10 HydrophobicContact CG-CD1 4Å; L6-I10 WeakPolarHBondContact O-CG1 3.37Å; L6-I10 PolarHBondContact O-N 3.13Å; L6-I10 VanDerWaalsContact O-N 3.1Å; L6-F135 HydrophobicContact CD2-CD2 3.79Å; L6-F135 HydrophobicContact CG-CD2 4.25Å |
| 7 | P | 92.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.013 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54.1 | -41.4 | 172 | -31.8 | 38.9 | 0 | 0 | 0 | 113.7 | H3 I10 A11 S134 S138 | H3-P7 WeakPolarHBondContact O-CD 3.43Å; H3-P7 WeakPolarHBondContact O-CG 3.35Å; P7-I10 PolarHBondContact O-N 3.4Å; P7-A11 WeakPolarHBondContact O-CB 3.04Å; P7-A11 PolarHBondContact O-N 2.9Å; P7-S134 WeakPolarHBondContact CG-OG 3.27Å; P7-S138 VanDerWaalsContact CA-OG 3.3Å; P7-S138 WeakPolarHBondContact CA-OG 3.44Å; P7-S138 WeakPolarHBondContact CB-OG 3.5Å; P7-S138 PolarHBondContact O-OG 2.68Å |
| 8 | F | 95.2 | Very high | 89.3 | Confident | 54 Ų | 54 | 65.4 Ų | 65.4 | 24% | 0.237 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 178.4 | -178.6 | -105.8 | 0 | 0 | 0 | 112.2 | L4 L5 L6 I10 A11 L12 L96 A99 V100 | L4-F8 WeakPolarHBondContact O-CB 3.21Å; L4-F8 PolarHBondContact O-N 3.29Å; L4-F8 VanDerWaalsContact O-N 3.13Å; L5-F8 PolarHBondContact O-N 3.02Å; L6-F8 VanDerWaalsContact C-N 3.26Å; L6-F8 PolarHBondContact O-N 3.43Å; F8-I10 VanDerWaalsContact C-N 3.34Å; F8-I10 PolarHBondContact O-N 3.39Å; F8-A11 PolarHBondContact O-N 3.11Å; F8-L12 HydrophobicContact CE1-CD2 3.95Å; F8-L12 HydrophobicContact CZ-CD2 4.17Å; F8-L12 WeakPolarHBondContact O-CB 3.23Å; F8-L12 PolarHBondContact O-N 2.96Å; F8-L96 HydrophobicContact CE2-CD1 4.26Å; F8-L96 HydrophobicContact CZ-CD1 4.11Å; F8-A99 HydrophobicContact CD2-CB 4.35Å; F8-A99 HydrophobicContact CE2-CB 4.16Å; F8-V100 HydrophobicContact CE2-CG2 3.93Å |
| 9 | R | 94.2 | Very high | 89.7 | Confident | 161 Ų | 161 | 62.5 Ų | 62.5 | 61% | 0.608 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -62.4 | -41.2 | 178.6 | -74.4 | 175.2 | 179.8 | -170.1 | -1.9 | 112.2 | L5 L6 A13 | L5-R9 VanDerWaalsContact O-CG 3.31Å; L5-R9 WeakPolarHBondContact O-CG 3.2Å; L5-R9 PolarHBondContact O-N 3.19Å; L6-R9 PolarHBondContact O-N 2.59Å; R9-A13 WeakPolarHBondContact O-CB 3.36Å; R9-A13 PolarHBondContact O-N 3.07Å |
| 10 | I | 92.9 | Very high | 90.1 | Very high | 41 Ų | 41 | 64.7 Ų | 64.7 | 21% | 0.21 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.2 | -52.4 | 177.8 | -64.2 | 164.7 | 0 | 0 | 0 | 109.7 | L6 P7 F8 L12 A13 T14 F135 C142 | L6-I10 HydrophobicContact CD1-CD1 3.99Å; L6-I10 HydrophobicContact CD1-CG1 4.31Å; L6-I10 HydrophobicContact CG-CD1 4Å; L6-I10 WeakPolarHBondContact O-CG1 3.37Å; L6-I10 PolarHBondContact O-N 3.13Å; L6-I10 VanDerWaalsContact O-N 3.1Å; P7-I10 PolarHBondContact O-N 3.4Å; F8-I10 VanDerWaalsContact C-N 3.34Å; F8-I10 PolarHBondContact O-N 3.39Å; I10-L12 VanDerWaalsContact C-N 3.34Å; I10-L12 PolarHBondContact O-N 3.16Å; I10-A13 PolarHBondContact O-N 2.91Å; I10-T14 PolarHBondContact O-N 2.89Å; I10-T14 PolarHBondContact O-OG1 3.06Å; I10-F135 HydrophobicContact CD1-CD2 3.57Å; I10-F135 HydrophobicContact CD1-CE2 3.45Å; I10-F135 VanDerWaalsContact CD1-CE2 3.45Å; I10-C142 HydrophobicContact CG2-CB 4.23Å |
| 11 | A | 96.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.7 | -39.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P7 F8 T14 N15 A99 V102 C142 | P7-A11 WeakPolarHBondContact O-CB 3.04Å; P7-A11 PolarHBondContact O-N 2.9Å; F8-A11 PolarHBondContact O-N 3.11Å; A11-T14 WeakPolarHBondContact CA-OG1 3.4Å; A11-T14 PolarHBondContact O-N 3.1Å; A11-T14 PolarHBondContact O-OG1 3.06Å; A11-N15 WeakPolarHBondContact O-CB 3.42Å; A11-N15 PolarHBondContact O-N 3.49Å; A11-N15 PolarHBondContact O-OD1 2.87Å; A11-A99 HydrophobicContact CB-CB 3.93Å; A11-V102 HydrophobicContact CB-CB 4.12Å; A11-V102 HydrophobicContact CB-CG1 4.02Å; A11-C142 VanDerWaalsContact CA-SG 3.58Å |
| 12 | L | 96.7 | Very high | 92 | Very high | 50 Ų | 50 | 57.6 Ų | 57.6 | 26% | 0.262 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.6 | -41.1 | 175.7 | -175.2 | 65.2 | 0 | 0 | 0 | 111.5 | F8 I10 S16 L96 A99 | F8-L12 HydrophobicContact CE1-CD2 3.95Å; F8-L12 HydrophobicContact CZ-CD2 4.17Å; F8-L12 WeakPolarHBondContact O-CB 3.23Å; F8-L12 PolarHBondContact O-N 2.96Å; I10-L12 VanDerWaalsContact C-N 3.34Å; I10-L12 PolarHBondContact O-N 3.16Å; L12-S16 VanDerWaalsContact O-CB 3.26Å; L12-S16 WeakPolarHBondContact O-CB 3.39Å; L12-S16 PolarHBondContact O-N 3.41Å; L12-S16 PolarHBondContact O-OG 3.37Å; L12-L96 HydrophobicContact CD1-CD1 4.34Å; L12-A99 HydrophobicContact CB-CB 4.34Å |
| 13 | A | 95.8 | Very high | 93.3 | Very high | 64 Ų | 64 | 49.5 Ų | 49.5 | 53% | 0.529 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R9 I10 S16 F17 | R9-A13 WeakPolarHBondContact O-CB 3.36Å; R9-A13 PolarHBondContact O-N 3.07Å; I10-A13 PolarHBondContact O-N 2.91Å; A13-S16 PolarHBondContact O-N 2.91Å; A13-F17 PolarHBondContact O-N 2.85Å; A13-F17 VanDerWaalsContact O-N 3.17Å |
| 14 | T | 96 | Very high | 94.4 | Very high | 30 Ų | 30 | 47.6 Ų | 47.6 | 18% | 0.184 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.1 | -42 | 177.5 | 54.4 | 0 | 0 | 0 | 0 | 112 | I10 A11 F17 S18 C142 | I10-T14 PolarHBondContact O-N 2.89Å; I10-T14 PolarHBondContact O-OG1 3.06Å; A11-T14 WeakPolarHBondContact CA-OG1 3.4Å; A11-T14 PolarHBondContact O-N 3.1Å; A11-T14 PolarHBondContact O-OG1 3.06Å; T14-F17 WeakPolarHBondContact O-CB 3.39Å; T14-F17 PolarHBondContact O-N 3.22Å; T14-S18 PolarHBondContact O-N 3.23Å; T14-C142 HydrophobicContact CG2-CB 3.89Å |
| 15 | N | 97.8 | Very high | 94.6 | Very high | 9 Ų | 9 | 47.7 Ų | 47.7 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -71.5 | -33.5 | -179.2 | -66 | 3.6 | 0 | 0 | 0 | 111.1 | A11 F17 S18 V19 G95 S98 A99 | A11-N15 WeakPolarHBondContact O-CB 3.42Å; A11-N15 PolarHBondContact O-N 3.49Å; A11-N15 PolarHBondContact O-OD1 2.87Å; N15-F17 VanDerWaalsContact C-N 3.3Å; N15-F17 PolarHBondContact O-N 3.49Å; N15-S18 CarbonylContact O-C 3.58Å; N15-S18 WeakPolarHBondContact O-CA 3.42Å; N15-S18 VanDerWaalsContact O-CB 3.3Å; N15-S18 WeakPolarHBondContact O-CB 3.42Å; N15-S18 PolarHBondContact O-N 3.14Å; N15-V19 VanDerWaalsContact O-CG2 3.31Å; N15-V19 WeakPolarHBondContact O-CG2 3.49Å; N15-V19 PolarHBondContact O-N 3.39Å; N15-G95 PolarHBondContact ND2-O 2.72Å; N15-S98 VanDerWaalsContact ND2-CB 3.3Å; N15-S98 WeakPolarHBondContact ND2-CB 3.19Å; N15-S98 PolarHBondContact ND2-OG 3.08Å; N15-S98 VanDerWaalsContact ND2-OG 3.08Å; N15-A99 PolarHBondContact ND2-N 2.59Å |
| 16 | S | 97.4 | Very high | 94.8 | Very high | 45 Ų | 45 | 45.1 Ų | 45.1 | 32% | 0.315 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.3 | -37.1 | 172.6 | -59.6 | 0 | 0 | 0 | 0 | 112 | L12 A13 S18 V19 L20 | L12-S16 VanDerWaalsContact O-CB 3.26Å; L12-S16 WeakPolarHBondContact O-CB 3.39Å; L12-S16 PolarHBondContact O-N 3.41Å; L12-S16 PolarHBondContact O-OG 3.37Å; A13-S16 PolarHBondContact O-N 2.91Å; S16-S18 VanDerWaalsContact C-N 3.31Å; S16-V19 PolarHBondContact O-N 2.5Å; S16-L20 PolarHBondContact O-N 3.24Å |
| 17 | F | 97.1 | Very high | 95.1 | Very high | 72 Ų | 72 | 43.2 Ų | 43.2 | 32% | 0.316 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.4 | -39.9 | 171 | -168.2 | -112.5 | 0 | 0 | 0 | 111.2 | A13 T14 N15 L20 F21 F148 I407 F408 I411 | A13-F17 PolarHBondContact O-N 2.85Å; A13-F17 VanDerWaalsContact O-N 3.17Å; T14-F17 WeakPolarHBondContact O-CB 3.39Å; T14-F17 PolarHBondContact O-N 3.22Å; N15-F17 VanDerWaalsContact C-N 3.3Å; N15-F17 PolarHBondContact O-N 3.49Å; F17-L20 PolarHBondContact O-N 2.8Å; F17-F21 AromaticContact CD2-CD2 3.4Å; F17-F21 HydrophobicContact CD2-CD2 3.4Å; F17-F21 AromaticContact CD2-CE2 3.64Å; F17-F21 HydrophobicContact CD2-CE2 3.64Å; F17-F21 HydrophobicContact CE1-CD2 4.45Å; F17-F21 AromaticContact CE2-CD2 3.23Å; F17-F21 HydrophobicContact CE2-CD2 3.23Å; F17-F21 AromaticContact CE2-CE2 3.41Å; F17-F21 HydrophobicContact CE2-CE2 3.41Å; F17-F21 VanDerWaalsContact CE2-CE2 3.41Å; F17-F21 HydrophobicContact CE2-CG 4.14Å; F17-F21 HydrophobicContact CE2-CZ 4.42Å; F17-F21 HydrophobicContact CG-CD2 4.09Å; F17-F21 AromaticContact CZ-CD2 3.8Å; F17-F21 HydrophobicContact CZ-CD2 3.8Å; F17-F21 HydrophobicContact CZ-CE2 4.32Å; F17-F21 HydrophobicContact CZ-CG 4.3Å; F17-F21 WeakPolarHBondContact O-CD2 3.16Å; F17-F21 PolarHBondContact O-N 2.91Å; F17-F148 HydrophobicContact CB-CE2 4.24Å; F17-F148 HydrophobicContact CD1-CD2 4.5Å; F17-F148 AromaticContact CD1-CE2 3.46Å; F17-F148 HydrophobicContact CD1-CE2 3.46Å; F17-F148 VanDerWaalsContact CD1-CE2 3.46Å; F17-F148 AromaticContact CD1-CZ 3.79Å; F17-F148 HydrophobicContact CD1-CZ 3.79Å; F17-F148 HydrophobicContact CE1-CE2 4.26Å; F17-F148 HydrophobicContact CE1-CZ 4.21Å; F17-F148 HydrophobicContact CG-CE2 4.25Å; F17-I407 HydrophobicContact CE1-CG2 4.06Å; F17-F408 HydrophobicContact CZ-CE1 4.43Å; F17-I411 HydrophobicContact CE1-CD1 3.9Å; F17-I411 HydrophobicContact CZ-CD1 4.17Å |
| 18 | S | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 174.5 | -173.8 | 0 | 0 | 0 | 0 | 112 | T14 N15 S16 L20 F21 N22 F148 S151 T152 | T14-S18 PolarHBondContact O-N 3.23Å; N15-S18 CarbonylContact O-C 3.58Å; N15-S18 WeakPolarHBondContact O-CA 3.42Å; N15-S18 VanDerWaalsContact O-CB 3.3Å; N15-S18 WeakPolarHBondContact O-CB 3.42Å; N15-S18 PolarHBondContact O-N 3.14Å; S16-S18 VanDerWaalsContact C-N 3.31Å; S18-L20 PolarHBondContact O-N 3.11Å; S18-L20 VanDerWaalsContact O-N 3.17Å; S18-F21 PolarHBondContact O-N 3.4Å; S18-N22 WeakPolarHBondContact O-CA 3.14Å; S18-N22 WeakPolarHBondContact O-CB 3.18Å; S18-N22 PolarHBondContact O-N 3.26Å; S18-F148 VanDerWaalsContact CA-CZ 3.41Å; S18-F148 VanDerWaalsContact CB-CE2 3.45Å; S18-F148 WeakPolarHBondContact CB-O 3.41Å; S18-F148 VanDerWaalsContact N-CE2 3.27Å; S18-F148 PolarHBondContact OG-O 2.87Å; S18-S151 PolarHBondContact OG-OG 3.18Å; S18-T152 WeakPolarHBondContact OG-CG2 3.33Å; S18-T152 PolarHBondContact OG-OG1 2.72Å |
| 19 | V | 98 | Very high | 95.4 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 7% | 0.067 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -51.7 | -46 | 177.5 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | N15 S16 L88 R91 F92 T152 | N15-V19 VanDerWaalsContact O-CG2 3.31Å; N15-V19 WeakPolarHBondContact O-CG2 3.49Å; N15-V19 PolarHBondContact O-N 3.39Å; S16-V19 PolarHBondContact O-N 2.5Å; V19-L88 HydrophobicContact CG1-CB 4.5Å; V19-L88 HydrophobicContact CG1-CD2 4.1Å; V19-L88 VanDerWaalsContact O-CD2 3.28Å; V19-L88 WeakPolarHBondContact O-CD2 3.35Å; V19-R91 HydrophobicContact CB-CB 4.36Å; V19-R91 HydrophobicContact CG1-CB 4.06Å; V19-R91 HydrophobicContact CG2-CB 4.17Å; V19-R91 WeakPolarHBondContact O-CD 3.27Å; V19-F92 HydrophobicContact CG1-CB 4.36Å; V19-F92 HydrophobicContact CG2-CB 4.31Å; V19-T152 HydrophobicContact CG2-CG2 3.79Å |
| 20 | L | 96.2 | Very high | 95.5 | Very high | 105 Ų | 105 | 34.7 Ų | 34.7 | 55% | 0.55 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -79.5 | -39.9 | -174.2 | -64.9 | 175.5 | 0 | 0 | 0 | 113.5 | S16 F17 S18 | S16-L20 PolarHBondContact O-N 3.24Å; F17-L20 PolarHBondContact O-N 2.8Å; S18-L20 PolarHBondContact O-N 3.11Å; S18-L20 VanDerWaalsContact O-N 3.17Å |
| 21 | F | 96 | Very high | 95.7 | Very high | 98 Ų | 98 | 32.9 Ų | 32.9 | 43% | 0.43 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -117.7 | -7.7 | -166.6 | -60.1 | -74.2 | 0 | 0 | 0 | 114.9 | F17 S18 V23 I411 | F17-F21 AromaticContact CD2-CD2 3.4Å; F17-F21 HydrophobicContact CD2-CD2 3.4Å; F17-F21 AromaticContact CD2-CE2 3.64Å; F17-F21 HydrophobicContact CD2-CE2 3.64Å; F17-F21 HydrophobicContact CE1-CD2 4.45Å; F17-F21 AromaticContact CE2-CD2 3.23Å; F17-F21 HydrophobicContact CE2-CD2 3.23Å; F17-F21 AromaticContact CE2-CE2 3.41Å; F17-F21 HydrophobicContact CE2-CE2 3.41Å; F17-F21 VanDerWaalsContact CE2-CE2 3.41Å; F17-F21 HydrophobicContact CE2-CG 4.14Å; F17-F21 HydrophobicContact CE2-CZ 4.42Å; F17-F21 HydrophobicContact CG-CD2 4.09Å; F17-F21 AromaticContact CZ-CD2 3.8Å; F17-F21 HydrophobicContact CZ-CD2 3.8Å; F17-F21 HydrophobicContact CZ-CE2 4.32Å; F17-F21 HydrophobicContact CZ-CG 4.3Å; F17-F21 WeakPolarHBondContact O-CD2 3.16Å; F17-F21 PolarHBondContact O-N 2.91Å; S18-F21 PolarHBondContact O-N 3.4Å; F21-V23 PolarHBondContact O-N 3.25Å; F21-I411 HydrophobicContact CB-CD1 3.69Å; F21-I411 HydrophobicContact CB-CG1 4.2Å; F21-I411 HydrophobicContact CB-CG2 4.37Å |
| 22 | N | 95.6 | Very high | 95.7 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | trans | -60.4 | 131.5 | 179.1 | -167.8 | 15.1 | 0 | 0 | 0 | 110.9 | S18 R91 F148 L149 T152 | S18-N22 WeakPolarHBondContact O-CA 3.14Å; S18-N22 WeakPolarHBondContact O-CB 3.18Å; S18-N22 PolarHBondContact O-N 3.26Å; N22-R91 PolarHBondContact O-NH1 3.06Å; N22-R91 PolarHBondContact O-NH2 3.39Å; N22-F148 HydrophobicContact CB-CE1 4.35Å; N22-L149 PolarHBondContact ND2-O 3.35Å; N22-L149 VanDerWaalsContact ND2-O 3.11Å; N22-L149 WeakPolarHBondContact OD1-CD2 3.47Å; N22-T152 PolarHBondContact ND2-OG1 2.74Å | ||
| 23 | V | 93.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | trans | -83.3 | 159.5 | 178.2 | -70.6 | 0 | 0 | 0 | 0 | 109.7 | F21 N25 | F21-V23 PolarHBondContact O-N 3.25Å; V23-N25 WeakPolarHBondContact CG2-OD1 3.14Å | ||
| 24 | I | 94.3 | Very high | 95.9 | Very high | 24 Ų | 24 | 27.8 Ų | 27.8 | 12% | 0.123 | 15% | 0.147 | C | C | . | . | trans | -99 | 99.4 | 172.7 | -59.6 | 174 | 0 | 0 | 0 | 106.2 | D26 E29 P446 F450 | I24-D26 VanDerWaalsContact C-N 3.34Å; I24-E29 HydrophobicContact CG2-CB 4Å; I24-P446 HydrophobicContact CD1-CB 4.22Å; I24-P446 WeakPolarHBondContact CD1-O 3.45Å; I24-F450 HydrophobicContact CD1-CE2 4Å | ||
| 25 | N | 86.9 | Confident | 96 | Very high | 73 Ų | 73 | 26.3 Ų | 26.3 | 39% | 0.39 | 14% | 0.138 | S | C | . | . | trans | -86.1 | -11.4 | -175.2 | -69.2 | -27.5 | 0 | 0 | 0 | 113.2 | V23 | V23-N25 WeakPolarHBondContact CG2-OD1 3.14Š| ||
| 26 | D | 92.2 | Very high | 96 | Very high | 30 Ų | 30 | 25.9 Ų | 25.9 | 16% | 0.16 | 14% | 0.136 | C | C | . | . | trans | -130.8 | 119.4 | -165.2 | -171.6 | -26.1 | 0 | 0 | 0 | 109.6 | I24 D28 E29 L155 R351 | I24-D26 VanDerWaalsContact C-N 3.34Å; D26-D28 PolarHBondContact O-N 3.32Å; D26-D28 WeakPolarHBondContact OD1-CB 3.34Å; D26-D28 PolarHBondContact OD1-N 2.64Å; D26-E29 HydrophobicContact CB-CB 4.42Å; D26-E29 WeakPolarHBondContact O-CB 2.85Å; D26-E29 PolarHBondContact O-N 3.09Å; D26-L155 HydrophobicContact CB-CD1 3.85Å; D26-R351 IonicContact OD1-NH1 3.95Å; D26-R351 PolarHBondContact OD1-NH1 3.23Å; D26-R351 VanDerWaalsContact OD2-CD 3.3Å; D26-R351 WeakPolarHBondContact OD2-CD 3.18Å; D26-R351 IonicContact OD2-CZ 3.54Å; D26-R351 IonicContact OD2-NE 3.56Å; D26-R351 IonicContact OD2-NH1 3.98Å; D26-R351 PolarHBondContact OD2-NH1 2.98Å | ||
| 27 | C | 94.4 | Very high | 96 | Very high | 33 Ų | 33 | 24 Ų | 24 | 22% | 0.223 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.8 | -25.6 | -178.6 | 68.6 | 0 | 0 | 0 | 0 | 112.5 | E29 T30 Y31 W442 H443 | C27-E29 VanDerWaalsContact C-N 3.29Å; C27-E29 PolarHBondContact O-N 3.23Å; C27-T30 WeakPolarHBondContact O-CB 3.48Å; C27-T30 PolarHBondContact O-N 3.25Å; C27-Y31 HydrophobicContact CB-CD2 4.04Å; C27-Y31 HydrophobicContact CB-CE2 4.18Å; C27-Y31 WeakPolarHBondContact O-CD2 3.27Å; C27-Y31 PolarHBondContact O-N 2.94Å; C27-W442 HydrophobicContact CB-CZ3 4.28Å; C27-H443 HydrophobicContact CB-CB 3.92Å |
| 28 | D | 95.2 | Very high | 96 | Very high | 35 Ų | 35 | 20.5 Ų | 20.5 | 19% | 0.187 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -68.8 | -31.5 | 172.7 | -75 | -44.4 | 0 | 0 | 0 | 111.2 | D26 T30 N32 Y33 L155 R351 | D26-D28 PolarHBondContact O-N 3.32Å; D26-D28 WeakPolarHBondContact OD1-CB 3.34Å; D26-D28 PolarHBondContact OD1-N 2.64Å; D28-T30 PolarHBondContact O-N 2.72Å; D28-N32 HydrophobicContact CB-CB 4.43Å; D28-N32 WeakPolarHBondContact O-CA 3.38Å; D28-N32 WeakPolarHBondContact O-CB 3.17Å; D28-N32 PolarHBondContact O-N 3.3Å; D28-N32 PolarHBondContact OD1-ND2 2.98Å; D28-Y33 WeakPolarHBondContact O-CD2 3.5Å; D28-L155 HydrophobicContact CB-CD2 4.05Å; D28-R351 VanDerWaalsContact CB-NH1 3.27Å; D28-R351 IonicContact OD2-CZ 3.95Å; D28-R351 IonicContact OD2-NH1 3.77Å; D28-R351 PolarHBondContact OD2-NH1 3.46Å; D28-R351 IonicContact OD2-NH2 3.14Å; D28-R351 PolarHBondContact OD2-NH2 3.31Å |
| 29 | E | 97.3 | Very high | 95.9 | Very high | 2 Ų | 2 | 20.6 Ų | 20.6 | 1% | 0.009 | 11% | 0.107 | C | C | . | . | I | π-helix | trans | -56.6 | -46 | 172.4 | -153.3 | -177.3 | 152.3 | 0 | 0 | 110.5 | I24 D26 C27 Y33 W34 T153 F154 L155 | I24-E29 HydrophobicContact CG2-CB 4Å; D26-E29 HydrophobicContact CB-CB 4.42Å; D26-E29 WeakPolarHBondContact O-CB 2.85Å; D26-E29 PolarHBondContact O-N 3.09Å; C27-E29 VanDerWaalsContact C-N 3.29Å; C27-E29 PolarHBondContact O-N 3.23Å; E29-Y33 WeakPolarHBondContact O-CB 3.32Å; E29-Y33 PolarHBondContact O-N 3.4Å; E29-W34 PolarHBondContact O-N 2.79Å; E29-W34 PolarHBondContact OE1-NE1 3.13Å; E29-T153 HydrophobicContact CG-CG2 4.46Å; E29-F154 HydrophobicContact CG-CB 4.21Å; E29-F154 PolarHBondContact OE1-N 3.35Å; E29-L155 HydrophobicContact CB-CD1 3.46Å; E29-L155 VanDerWaalsContact CB-CD1 3.46Å; E29-L155 HydrophobicContact CB-CG 3.84Å; E29-L155 HydrophobicContact CG-CD1 3.61Å; E29-L155 HydrophobicContact CG-CG 3.86Å |
| 30 | T | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -64.7 | -64.1 | 176.7 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | C27 D28 W34 E35 F445 P446 | C27-T30 WeakPolarHBondContact O-CB 3.48Å; C27-T30 PolarHBondContact O-N 3.25Å; D28-T30 PolarHBondContact O-N 2.72Å; T30-W34 PolarHBondContact O-N 3.13Å; T30-E35 HydrophobicContact CG2-CG 3.85Å; T30-E35 WeakPolarHBondContact O-CB 3.43Å; T30-E35 WeakPolarHBondContact O-CG 3.36Å; T30-E35 PolarHBondContact O-N 3.13Å; T30-F445 HydrophobicContact CG2-CD1 4.04Å; T30-F445 WeakPolarHBondContact CG2-O 3.02Å; T30-F445 PolarHBondContact OG1-O 3.45Å; T30-F445 VanDerWaalsContact OG1-O 3.11Å; T30-P446 PolarHBondContact OG1-O 3.04Å |
| 31 | Y | 97.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 15.7 Ų | 15.7 | 1% | 0.012 | 8% | 0.081 | C | C | . | . | I | π-helix | trans | -82.6 | -26.6 | -163.4 | -64.7 | -65.5 | 0 | 0 | 0 | 114 | C27 E35 P36 F49 W442 F445 F462 P472 | C27-Y31 HydrophobicContact CB-CD2 4.04Å; C27-Y31 HydrophobicContact CB-CE2 4.18Å; C27-Y31 WeakPolarHBondContact O-CD2 3.27Å; C27-Y31 PolarHBondContact O-N 2.94Å; Y31-E35 HydrophobicContact CD1-CG 4.31Å; Y31-P36 WeakPolarHBondContact O-CD 3.09Å; Y31-F49 HydrophobicContact CD1-CB 3.75Å; Y31-F49 HydrophobicContact CD1-CD2 4.1Å; Y31-F49 HydrophobicContact CD1-CG 4.07Å; Y31-F49 HydrophobicContact CE1-CB 4.21Å; Y31-F49 AromaticContact CE1-CD2 3.72Å; Y31-F49 HydrophobicContact CE1-CD2 3.72Å; Y31-F49 HydrophobicContact CE1-CE2 4.31Å; Y31-F49 HydrophobicContact CE1-CG 4.01Å; Y31-W442 HydrophobicContact CD2-CE3 4.37Å; Y31-W442 HydrophobicContact CD2-CZ3 4.05Å; Y31-W442 AromaticContact CE2-CE3 3.59Å; Y31-W442 HydrophobicContact CE2-CE3 3.59Å; Y31-W442 AromaticContact CE2-CZ3 3.71Å; Y31-W442 HydrophobicContact CE2-CZ3 3.71Å; Y31-W442 PolarHBondContact OH-O 3.01Å; Y31-F445 HydrophobicContact CE1-CD1 4.17Å; Y31-F445 WeakPolarHBondContact OH-CB 3.42Å; Y31-F462 HydrophobicContact CE1-CZ 4.29Å; Y31-P472 HydrophobicContact CD1-CB 3.66Å; Y31-P472 HydrophobicContact CD1-CG 3.45Å; Y31-P472 VanDerWaalsContact CD1-CG 3.45Å; Y31-P472 HydrophobicContact CD2-CG 3.75Å; Y31-P472 HydrophobicContact CE1-CB 4.11Å; Y31-P472 HydrophobicContact CE1-CG 3.77Å; Y31-P472 HydrophobicContact CE2-CG 4.08Å; Y31-P472 HydrophobicContact CG-CB 4.02Å; Y31-P472 HydrophobicContact CG-CG 3.42Å; Y31-P472 VanDerWaalsContact CG-CG 3.42Å |
| 32 | N | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 7% | 0.065 | C | C | . | . | I | π-helix | trans | -93.6 | -15.2 | 176.2 | -88.1 | -51.3 | 0 | 0 | 0 | 113.1 | D28 T51 E53 Y54 | D28-N32 HydrophobicContact CB-CB 4.43Å; D28-N32 WeakPolarHBondContact O-CA 3.38Å; D28-N32 WeakPolarHBondContact O-CB 3.17Å; D28-N32 PolarHBondContact O-N 3.3Å; D28-N32 PolarHBondContact OD1-ND2 2.98Å; N32-T51 WeakPolarHBondContact OD1-CG2 3.42Å; N32-T51 PolarHBondContact OD1-OG1 3.44Å; N32-E53 PolarHBondContact ND2-OE1 2.93Å; N32-Y54 HydrophobicContact CB-CE2 4.38Å; N32-Y54 WeakPolarHBondContact O-CE2 3.3Å; N32-Y54 VanDerWaalsContact O-CZ 3.22Å; N32-Y54 PolarHBondContact O-OH 2.97Å |
| 33 | Y | 98.1 | Very high | 95.7 | Very high | 6 Ų | 6 | 14.4 Ų | 14.4 | 2% | 0.024 | 8% | 0.079 | C | C | . | . | I | π-helix | trans | -134.8 | -56.5 | -175.9 | -54.2 | -81.2 | 0 | 0 | 0 | 114 | D28 E29 E35 L37 R61 Y65 L66 F154 L155 P156 | D28-Y33 WeakPolarHBondContact O-CD2 3.5Å; E29-Y33 WeakPolarHBondContact O-CB 3.32Å; E29-Y33 PolarHBondContact O-N 3.4Å; Y33-E35 PolarHBondContact O-N 3.38Å; Y33-L37 WeakPolarHBondContact O-CB 3.31Å; Y33-L37 PolarHBondContact O-N 3.17Å; Y33-R61 WeakPolarHBondContact OH-CD 3.49Å; Y33-R61 VanDerWaalsContact OH-CZ 3.3Å; Y33-R61 PolarHBondContact OH-NE 2.94Å; Y33-R61 PolarHBondContact OH-NH1 2.86Å; Y33-Y65 AromaticContact CD1-CD1 3.7Å; Y33-Y65 HydrophobicContact CD1-CD1 3.7Å; Y33-Y65 AromaticContact CD1-CE1 3.41Å; Y33-Y65 HydrophobicContact CD1-CE1 3.41Å; Y33-Y65 VanDerWaalsContact CD1-CE1 3.41Å; Y33-Y65 AromaticContact CE1-CD1 3.85Å; Y33-Y65 HydrophobicContact CE1-CD1 3.85Å; Y33-Y65 AromaticContact CE1-CE1 3.72Å; Y33-Y65 HydrophobicContact CE1-CE1 3.72Å; Y33-Y65 HydrophobicContact CG-CE1 4.36Å; Y33-L66 HydrophobicContact CD1-CD2 4.18Å; Y33-F154 HydrophobicContact CG-CD1 4.49Å; Y33-L155 HydrophobicContact CD2-CG 4.42Å; Y33-L155 HydrophobicContact CE2-CD2 4.15Å; Y33-L155 HydrophobicContact CE2-CG 4.4Å; Y33-P156 HydrophobicContact CE1-CG 3.69Å; Y33-P156 HydrophobicContact CE2-CG 4.36Å; Y33-P156 VanDerWaalsContact CZ-CG 3.49Å; Y33-P156 WeakPolarHBondContact OH-CD 3.24Å; Y33-P156 WeakPolarHBondContact OH-CG 3.38Å |
| 34 | W | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.083 | C | C | . | . | I | π-helix | trans | -64.1 | -43.9 | -178.7 | -70.3 | 119 | 0 | 0 | 0 | 112.7 | E29 T30 L37 H38 L87 V90 R91 F154 F449 | E29-W34 PolarHBondContact O-N 2.79Å; E29-W34 PolarHBondContact OE1-NE1 3.13Å; T30-W34 PolarHBondContact O-N 3.13Å; W34-L37 HydrophobicContact CE3-CD2 4.25Å; W34-L37 HydrophobicContact CZ3-CD2 4.17Å; W34-L37 PolarHBondContact O-N 3.28Å; W34-H38 VanDerWaalsContact O-CB 3.3Å; W34-H38 WeakPolarHBondContact O-CB 3.44Å; W34-H38 PolarHBondContact O-N 3.28Å; W34-L87 HydrophobicContact CD2-CD1 4.09Å; W34-L87 HydrophobicContact CD2-CG 4.43Å; W34-L87 HydrophobicContact CE3-CD1 4.01Å; W34-L87 HydrophobicContact CE3-CG 4.04Å; W34-L87 HydrophobicContact CH2-CD1 4.42Å; W34-L87 HydrophobicContact CH2-CD2 4.43Å; W34-L87 HydrophobicContact CH2-CG 3.75Å; W34-L87 HydrophobicContact CZ2-CD1 4.47Å; W34-L87 HydrophobicContact CZ2-CG 4.14Å; W34-L87 HydrophobicContact CZ3-CB 4.23Å; W34-L87 HydrophobicContact CZ3-CD1 4.2Å; W34-L87 HydrophobicContact CZ3-CG 3.69Å; W34-V90 HydrophobicContact CH2-CB 3.82Å; W34-V90 HydrophobicContact CH2-CG1 3.63Å; W34-V90 HydrophobicContact CZ3-CB 3.87Å; W34-V90 HydrophobicContact CZ3-CG1 3.84Å; W34-V90 HydrophobicContact CZ3-CG2 4.28Å; W34-R91 HydrophobicContact CH2-CG 4.08Å; W34-R91 HydrophobicContact CZ2-CG 4.13Å; W34-F154 HydrophobicContact CD2-CB 4.38Å; W34-F154 AromaticContact CD2-CD1 3.88Å; W34-F154 HydrophobicContact CD2-CD1 3.88Å; W34-F154 HydrophobicContact CD2-CG 4.5Å; W34-F154 AromaticContact CE3-CD1 3.92Å; W34-F154 HydrophobicContact CE3-CD1 3.92Å; W34-F154 HydrophobicContact CE3-CE1 4.39Å; W34-F154 HydrophobicContact CG-CD1 4.41Å; W34-F154 HydrophobicContact CH2-CB 4.02Å; W34-F154 HydrophobicContact CH2-CD1 4.27Å; W34-F154 HydrophobicContact CH2-CG 4.16Å; W34-F154 HydrophobicContact CZ2-CB 3.46Å; W34-F154 VanDerWaalsContact CZ2-CB 3.46Å; W34-F154 HydrophobicContact CZ2-CD1 4.25Å; W34-F154 HydrophobicContact CZ2-CG 4.06Å; W34-F154 HydrophobicContact CZ3-CD1 4.11Å; W34-F154 HydrophobicContact CZ3-CG 4.43Å; W34-F449 HydrophobicContact CB-CD2 4.39Å; W34-F449 AromaticContact CE3-CD2 3.99Å; W34-F449 HydrophobicContact CE3-CD2 3.99Å; W34-F449 AromaticContact CE3-CE2 3.79Å; W34-F449 HydrophobicContact CE3-CE2 3.79Å; W34-F449 VanDerWaalsContact O-CE2 3.3Å; W34-F449 WeakPolarHBondContact O-CE2 3.46Å |
| 35 | E | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -70.1 | -46.6 | -178.4 | -71.9 | -64 | 119.4 | 0 | 0 | 113.1 | T30 Y31 Y33 L37 H38 F39 F49 S447 R448 | T30-E35 HydrophobicContact CG2-CG 3.85Å; T30-E35 WeakPolarHBondContact O-CB 3.43Å; T30-E35 WeakPolarHBondContact O-CG 3.36Å; T30-E35 PolarHBondContact O-N 3.13Å; Y31-E35 HydrophobicContact CD1-CG 4.31Å; Y33-E35 PolarHBondContact O-N 3.38Å; E35-L37 VanDerWaalsContact C-N 3.34Å; E35-L37 PolarHBondContact O-N 2.88Å; E35-H38 PolarHBondContact O-N 3.47Å; E35-F39 PolarHBondContact O-N 2.97Å; E35-F49 HydrophobicContact CB-CB 3.98Å; E35-F49 WeakPolarHBondContact CB-O 3.47Å; E35-F49 HydrophobicContact CG-CB 4.07Å; E35-F49 HydrophobicContact CG-CD2 4.14Å; E35-F49 WeakPolarHBondContact OE2-CD2 3.07Å; E35-F49 PolarHBondContact OE2-N 3.28Å; E35-S447 WeakPolarHBondContact OE1-CA 2.95Å; E35-S447 WeakPolarHBondContact OE1-CB 3.5Å; E35-S447 PolarHBondContact OE1-OG 3.23Å; E35-R448 PolarHBondContact OE1-N 2.91Å; E35-R448 WeakPolarHBondContact OE2-CD 3.35Å; E35-R448 IonicContact OE2-CZ 3.21Å; E35-R448 IonicContact OE2-NE 2.85Å; E35-R448 IonicContact OE2-NH1 2.65Å; E35-R448 PolarHBondContact OE2-NH1 3.23Å |
| 36 | P | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.1 | -40 | 168.8 | -28.9 | 37.5 | 0 | 0 | 0 | 113.9 | Y31 F39 I40 Y54 L66 F475 | Y31-P36 WeakPolarHBondContact O-CD 3.09Å; P36-F39 PolarHBondContact O-N 3.04Å; P36-I40 WeakPolarHBondContact O-CG1 3.43Å; P36-I40 PolarHBondContact O-N 3.5Å; P36-Y54 HydrophobicContact CB-CE1 4.35Å; P36-Y54 HydrophobicContact CB-CE2 4.33Å; P36-Y54 HydrophobicContact CG-CD2 4.03Å; P36-Y54 HydrophobicContact CG-CE2 3.78Å; P36-L66 HydrophobicContact CB-CD1 3.61Å; P36-F475 HydrophobicContact CB-CE2 4.21Å; P36-F475 HydrophobicContact CB-CZ 4.28Å; P36-F475 HydrophobicContact CG-CE2 4.27Å; P36-F475 HydrophobicContact CG-CZ 4.45Å |
| 37 | L | 98.1 | Very high | 95.8 | Very high | 4 Ų | 4 | 16.3 Ų | 16.3 | 2% | 0.021 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.9 | -46.1 | 175.6 | 178.9 | 62.8 | 0 | 0 | 0 | 111.2 | Y33 W34 E35 F39 I40 S41 L66 V90 F154 F449 | Y33-L37 WeakPolarHBondContact O-CB 3.31Å; Y33-L37 PolarHBondContact O-N 3.17Å; W34-L37 HydrophobicContact CE3-CD2 4.25Å; W34-L37 HydrophobicContact CZ3-CD2 4.17Å; W34-L37 PolarHBondContact O-N 3.28Å; E35-L37 VanDerWaalsContact C-N 3.34Å; E35-L37 PolarHBondContact O-N 2.88Å; L37-F39 VanDerWaalsContact C-N 3.28Å; L37-F39 PolarHBondContact O-N 3.31Å; L37-I40 PolarHBondContact O-N 3.2Å; L37-S41 WeakPolarHBondContact CD1-OG 3.38Å; L37-S41 VanDerWaalsContact O-CB 3.25Å; L37-S41 WeakPolarHBondContact O-CB 3.2Å; L37-S41 PolarHBondContact O-N 3.2Å; L37-S41 PolarHBondContact O-OG 3.07Å; L37-L66 HydrophobicContact CB-CD2 4.4Å; L37-V90 HydrophobicContact CD2-CG2 3.95Å; L37-F154 HydrophobicContact CB-CE1 4.05Å; L37-F154 HydrophobicContact CD2-CE1 3.67Å; L37-F154 HydrophobicContact CD2-CZ 3.75Å; L37-F154 HydrophobicContact CG-CE1 4.44Å; L37-F449 HydrophobicContact CD2-CZ 4.39Å; L37-F449 HydrophobicContact CG-CZ 4.29Å |
| 38 | H | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -57.7 | -44.1 | 177 | -178.7 | -89.7 | 0 | 0 | 0 | 111.2 | W34 E35 T42 G46 G47 N83 F449 A455 | W34-H38 VanDerWaalsContact O-CB 3.3Å; W34-H38 WeakPolarHBondContact O-CB 3.44Å; W34-H38 PolarHBondContact O-N 3.28Å; E35-H38 PolarHBondContact O-N 3.47Å; H38-T42 WeakPolarHBondContact O-CB 3.02Å; H38-T42 VanDerWaalsContact O-CG2 3.28Å; H38-T42 WeakPolarHBondContact O-CG2 3.43Å; H38-T42 PolarHBondContact O-N 2.76Å; H38-T42 PolarHBondContact O-OG1 2.96Å; H38-G46 PolarHBondContact CE1-O 2.82Å; H38-G47 PolarHBondContact ND1-O 3.21Å; H38-N83 PolarHBondContact NE2-ND2 3.44Å; H38-N83 VanDerWaalsContact NE2-ND2 3.16Å; H38-F449 HydrophobicContact CB-CD2 4.06Å; H38-F449 HydrophobicContact CB-CE1 4.46Å; H38-F449 HydrophobicContact CB-CE2 3.58Å; H38-F449 HydrophobicContact CB-CZ 3.81Å; H38-F449 AromaticContact CD2-CD1 3.79Å; H38-F449 AromaticContact CD2-CE1 3.86Å; H38-F449 AromaticContact CD2-CG 3.99Å; H38-A455 WeakPolarHBondContact CE1-CB 3.38Å; H38-A455 VanDerWaalsContact NE2-CB 3.33Å; H38-A455 WeakPolarHBondContact NE2-CB 3.47Å |
| 39 | F | 96 | Very high | 95.8 | Very high | 2 Ų | 2 | 13.1 Ų | 13.1 | 1% | 0.009 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -58.4 | -50.1 | 176.9 | -178.9 | -107.4 | 0 | 0 | 0 | 112.1 | E35 P36 L37 T42 N43 G44 F475 P478 V484 S487 T488 | E35-F39 PolarHBondContact O-N 2.97Å; P36-F39 PolarHBondContact O-N 3.04Å; L37-F39 VanDerWaalsContact C-N 3.28Å; L37-F39 PolarHBondContact O-N 3.31Å; F39-T42 PolarHBondContact O-OG1 3.39Å; F39-N43 PolarHBondContact O-N 3.11Å; F39-G44 VanDerWaalsContact CE2-CA 3.49Å; F39-G44 WeakPolarHBondContact O-CA 3.31Å; F39-G44 PolarHBondContact O-N 3.48Å; F39-F475 HydrophobicContact CB-CD2 3.74Å; F39-F475 HydrophobicContact CB-CE2 3.95Å; F39-F475 HydrophobicContact CD1-CB 4.26Å; F39-F475 AromaticContact CD1-CD1 4Å; F39-F475 HydrophobicContact CD1-CD1 4Å; F39-F475 AromaticContact CD1-CD2 3.74Å; F39-F475 HydrophobicContact CD1-CD2 3.74Å; F39-F475 HydrophobicContact CD1-CE1 4.26Å; F39-F475 HydrophobicContact CD1-CE2 4.02Å; F39-F475 AromaticContact CD1-CG 3.73Å; F39-F475 HydrophobicContact CD1-CG 3.73Å; F39-F475 HydrophobicContact CD1-CZ 4.28Å; F39-F475 HydrophobicContact CD2-CB 3.69Å; F39-F475 AromaticContact CD2-CD2 3.9Å; F39-F475 HydrophobicContact CD2-CD2 3.9Å; F39-F475 AromaticContact CD2-CG 3.94Å; F39-F475 HydrophobicContact CD2-CG 3.94Å; F39-F475 HydrophobicContact CE1-CB 4.08Å; F39-F475 AromaticContact CE1-CD1 3.9Å; F39-F475 HydrophobicContact CE1-CD1 3.9Å; F39-F475 HydrophobicContact CE1-CD2 4.34Å; F39-F475 HydrophobicContact CE1-CE1 4.43Å; F39-F475 AromaticContact CE1-CG 3.86Å; F39-F475 HydrophobicContact CE1-CG 3.86Å; F39-F475 HydrophobicContact CE2-CB 3.49Å; F39-F475 VanDerWaalsContact CE2-CB 3.49Å; F39-F475 HydrophobicContact CE2-CD2 4.48Å; F39-F475 HydrophobicContact CE2-CG 4.06Å; F39-F475 HydrophobicContact CG-CB 4.08Å; F39-F475 AromaticContact CG-CD2 3.5Å; F39-F475 HydrophobicContact CG-CD2 3.5Å; F39-F475 VanDerWaalsContact CG-CD2 3.5Å; F39-F475 HydrophobicContact CG-CE2 4.02Å; F39-F475 AromaticContact CG-CG 3.79Å; F39-F475 HydrophobicContact CG-CG 3.79Å; F39-F475 HydrophobicContact CZ-CB 3.71Å; F39-F475 HydrophobicContact CZ-CD1 4.33Å; F39-F475 HydrophobicContact CZ-CG 4.03Å; F39-P478 HydrophobicContact CE2-CG 4.48Å; F39-P478 HydrophobicContact CZ-CG 4.21Å; F39-V484 HydrophobicContact CE1-CB 3.96Å; F39-V484 HydrophobicContact CE1-CG1 4.14Å; F39-V484 HydrophobicContact CZ-CB 4.45Å; F39-V484 HydrophobicContact CZ-CG1 4.38Å; F39-S487 WeakPolarHBondContact CZ-OG 3.33Å; F39-T488 HydrophobicContact CD1-CG2 4.42Å; F39-T488 HydrophobicContact CE1-CG2 3.91Å |
| 40 | I | 95.7 | Very high | 95.7 | Very high | 8 Ų | 8 | 13 Ų | 13 | 4% | 0.041 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.9 | -48.9 | -178.8 | -64.3 | 166 | 0 | 0 | 0 | 110.9 | P36 L37 T42 N43 Y63 L66 W67 Y236 | P36-I40 WeakPolarHBondContact O-CG1 3.43Å; P36-I40 PolarHBondContact O-N 3.5Å; L37-I40 PolarHBondContact O-N 3.2Å; I40-T42 PolarHBondContact O-N 3.13Å; I40-N43 PolarHBondContact O-N 3.45Å; I40-Y63 HydrophobicContact CD1-CD1 3.5Å; I40-Y63 HydrophobicContact CD1-CE1 3.78Å; I40-L66 HydrophobicContact CD1-CB 4.48Å; I40-L66 HydrophobicContact CD1-CD1 3.68Å; I40-W67 HydrophobicContact CG2-CZ2 4Å; I40-Y236 HydrophobicContact CD1-CE1 4.45Å; I40-Y236 HydrophobicContact CG1-CE1 4.42Å |
| 41 | S | 96 | Very high | 95.5 | Very high | 4 Ų | 4 | 13.6 Ų | 13.6 | 3% | 0.028 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -66 | -27.2 | -175.4 | -61 | 0 | 0 | 0 | 0 | 113 | L37 N43 S73 | L37-S41 WeakPolarHBondContact CD1-OG 3.38Å; L37-S41 VanDerWaalsContact O-CB 3.25Å; L37-S41 WeakPolarHBondContact O-CB 3.2Å; L37-S41 PolarHBondContact O-N 3.2Å; L37-S41 PolarHBondContact O-OG 3.07Å; S41-N43 VanDerWaalsContact C-N 3.32Å; S41-S73 WeakPolarHBondContact CB-OG 3.23Å; S41-S73 PolarHBondContact OG-OG 2.67Å |
| 42 | T | 94.7 | Very high | 95.3 | Very high | 15 Ų | 15 | 14.4 Ų | 14.4 | 9% | 0.092 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 8.6 | 173.6 | 63.1 | 0 | 0 | 0 | 0 | 113.5 | H38 F39 I40 G44 K45 G46 F77 | H38-T42 WeakPolarHBondContact O-CB 3.02Å; H38-T42 VanDerWaalsContact O-CG2 3.28Å; H38-T42 WeakPolarHBondContact O-CG2 3.43Å; H38-T42 PolarHBondContact O-N 2.76Å; H38-T42 PolarHBondContact O-OG1 2.96Å; F39-T42 PolarHBondContact O-OG1 3.39Å; I40-T42 PolarHBondContact O-N 3.13Å; T42-G44 PolarHBondContact O-N 3.06Å; T42-K45 WeakPolarHBondContact O-CB 3.5Å; T42-K45 PolarHBondContact O-N 3Å; T42-G46 PolarHBondContact OG1-N 3.19Å; T42-F77 HydrophobicContact CG2-CD1 4.21Å; T42-F77 HydrophobicContact CG2-CD2 4.36Å; T42-F77 HydrophobicContact CG2-CE1 3.7Å; T42-F77 HydrophobicContact CG2-CE2 3.85Å; T42-F77 HydrophobicContact CG2-CZ 3.49Å; T42-F77 VanDerWaalsContact CG2-CZ 3.49Å |
| 43 | N | 93.7 | Very high | 95.2 | Very high | 60 Ų | 60 | 15.3 Ų | 15.3 | 32% | 0.321 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 33.7 | -175.1 | -71.2 | -43.5 | 0 | 0 | 0 | 112.8 | F39 I40 S41 K45 | F39-N43 PolarHBondContact O-N 3.11Å; I40-N43 PolarHBondContact O-N 3.45Å; S41-N43 VanDerWaalsContact C-N 3.32Å; N43-K45 PolarHBondContact O-N 2.89Å |
| 44 | G | 93.1 | Very high | 95.1 | Very high | 10 Ų | 10 | 15 Ų | 15 | 10% | 0.103 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.3 | -5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | F39 T42 G46 G47 | F39-G44 VanDerWaalsContact CE2-CA 3.49Å; F39-G44 WeakPolarHBondContact O-CA 3.31Å; F39-G44 PolarHBondContact O-N 3.48Å; T42-G44 PolarHBondContact O-N 3.06Å; G44-G46 PolarHBondContact O-N 2.9Å; G44-G47 PolarHBondContact O-N 2.66Å |
| 45 | K | 91.4 | Very high | 94.8 | Very high | 132 Ų | 132 | 15.1 Ų | 15.1 | 57% | 0.574 | 8% | 0.082 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -38.2 | -178.2 | -64.5 | -179.8 | -179.6 | 179.2 | 0 | 112.7 | T42 N43 G47 E456 | T42-K45 WeakPolarHBondContact O-CB 3.5Å; T42-K45 PolarHBondContact O-N 3Å; N43-K45 PolarHBondContact O-N 2.89Å; K45-G47 VanDerWaalsContact C-N 3.29Å; K45-G47 PolarHBondContact O-N 3.17Å; K45-E456 WeakPolarHBondContact O-CB 3.25Å |
| 46 | G | 92.2 | Very high | 94.6 | Very high | 5 Ų | 5 | 15.5 Ų | 15.5 | 5% | 0.052 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -5.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | H38 T42 G44 R448 | H38-G46 PolarHBondContact CE1-O 2.82Å; T42-G46 PolarHBondContact OG1-N 3.19Å; G44-G46 PolarHBondContact O-N 2.9Å; G46-R448 WeakPolarHBondContact O-CD 3.5Å |
| 47 | G | 92.9 | Very high | 94.3 | Very high | 22 Ų | 22 | 18.3 Ų | 18.3 | 23% | 0.227 | 11% | 0.105 | C | C | . | . | trans | 64.8 | -177.4 | -171 | 0 | 0 | 0 | 0 | 0 | 113.3 | H38 G44 K45 | H38-G47 PolarHBondContact ND1-O 3.21Å; G44-G47 PolarHBondContact O-N 2.66Å; K45-G47 VanDerWaalsContact C-N 3.29Å; K45-G47 PolarHBondContact O-N 3.17Å | ||
| 48 | G | 95 | Very high | 93.9 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | trans | 180 | 151.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F475 | G48-F475 WeakPolarHBondContact O-CD2 3.15Å; G48-F475 PolarHBondContact O-N 3.24Å | ||
| 49 | F | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 153.8 | 166.3 | -67.9 | -71.2 | 0 | 0 | 0 | 110.7 | Y31 E35 F445 R448 I460 F462 P472 G473 Q474 F475 | Y31-F49 HydrophobicContact CD1-CB 3.75Å; Y31-F49 HydrophobicContact CD1-CD2 4.1Å; Y31-F49 HydrophobicContact CD1-CG 4.07Å; Y31-F49 HydrophobicContact CE1-CB 4.21Å; Y31-F49 AromaticContact CE1-CD2 3.72Å; Y31-F49 HydrophobicContact CE1-CD2 3.72Å; Y31-F49 HydrophobicContact CE1-CE2 4.31Å; Y31-F49 HydrophobicContact CE1-CG 4.01Å; E35-F49 HydrophobicContact CB-CB 3.98Å; E35-F49 WeakPolarHBondContact CB-O 3.47Å; E35-F49 HydrophobicContact CG-CB 4.07Å; E35-F49 HydrophobicContact CG-CD2 4.14Å; E35-F49 WeakPolarHBondContact OE2-CD2 3.07Å; E35-F49 PolarHBondContact OE2-N 3.28Å; F49-F445 HydrophobicContact CD2-CE1 4.26Å; F49-F445 HydrophobicContact CE2-CD1 4.42Å; F49-F445 HydrophobicContact CE2-CE1 4.05Å; F49-R448 VanDerWaalsContact CE2-NH1 3.25Å; F49-I460 HydrophobicContact CE2-CB 4.41Å; F49-I460 HydrophobicContact CE2-CD1 4.36Å; F49-I460 HydrophobicContact CE2-CG2 4.05Å; F49-I460 HydrophobicContact CZ-CB 4.12Å; F49-I460 HydrophobicContact CZ-CG2 3.82Å; F49-F462 AromaticContact CD1-CE2 3.98Å; F49-F462 HydrophobicContact CD1-CE2 3.98Å; F49-F462 HydrophobicContact CD1-CZ 4.19Å; F49-F462 HydrophobicContact CE1-CD2 4.33Å; F49-F462 AromaticContact CE1-CE2 3.39Å; F49-F462 HydrophobicContact CE1-CE2 3.39Å; F49-F462 AromaticContact CE1-CZ 3.66Å; F49-F462 HydrophobicContact CE1-CZ 3.66Å; F49-F462 HydrophobicContact CE2-CZ 4.32Å; F49-F462 AromaticContact CZ-CE2 3.9Å; F49-F462 HydrophobicContact CZ-CE2 3.9Å; F49-F462 AromaticContact CZ-CZ 3.74Å; F49-F462 HydrophobicContact CZ-CZ 3.74Å; F49-P472 HydrophobicContact CB-CB 4.06Å; F49-P472 HydrophobicContact CD1-CB 4.3Å; F49-P472 HydrophobicContact CG-CB 4.38Å; F49-G473 CarbonylContact C-O 3.59Å; F49-G473 WeakPolarHBondContact CA-O 3.44Å; F49-G473 WeakPolarHBondContact CD1-O 3.41Å; F49-Q474 HydrophobicContact CD1-CG 3.8Å; F49-Q474 HydrophobicContact CE1-CG 3.61Å; F49-F475 VanDerWaalsContact O-CE2 3.29Å; F49-F475 WeakPolarHBondContact O-CE2 3.21Å |
| 50 | Q | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 145.3 | 171.5 | 77.1 | -177.8 | -25.5 | 0 | 0 | 109.2 | P472 G473 F475 F495 | Q50-P472 CarbonylContact O-C 3.56Å; Q50-G473 PolarHBondContact N-O 2.99Å; Q50-G473 PolarHBondContact O-N 3.45Å; Q50-F475 HydrophobicContact CB-CD1 4.18Å; Q50-F475 HydrophobicContact CB-CD2 3.98Å; Q50-F475 HydrophobicContact CB-CE1 3.76Å; Q50-F475 HydrophobicContact CB-CE2 3.53Å; Q50-F475 HydrophobicContact CB-CG 4.29Å; Q50-F475 HydrophobicContact CB-CZ 3.41Å; Q50-F475 VanDerWaalsContact CB-CZ 3.41Å; Q50-F475 HydrophobicContact CG-CD1 4.37Å; Q50-F475 HydrophobicContact CG-CE1 4.27Å; Q50-F475 HydrophobicContact CG-CZ 4.38Å; Q50-F495 HydrophobicContact CG-CE2 3.88Å; Q50-F495 HydrophobicContact CG-CZ 3.57Å; Q50-F495 WeakPolarHBondContact O-CZ 3.3Å |
| 51 | T | 94.8 | Very high | 93.7 | Very high | 13 Ų | 13 | 22.1 Ų | 22.1 | 8% | 0.08 | 12% | 0.121 | C | C | . | . | trans | -88.7 | 170.9 | 168.7 | 66.2 | 0 | 0 | 0 | 0 | 109.8 | N32 E53 Y54 | N32-T51 WeakPolarHBondContact OD1-CG2 3.42Å; N32-T51 PolarHBondContact OD1-OG1 3.44Å; T51-E53 PolarHBondContact O-N 2.88Å; T51-E53 VanDerWaalsContact O-N 3.08Å; T51-E53 WeakPolarHBondContact OG1-CB 3.4Å; T51-E53 PolarHBondContact OG1-N 2.95Å; T51-Y54 PolarHBondContact O-N 3.24Å; T51-Y54 VanDerWaalsContact O-N 3.12Å | ||
| 52 | W | 93.1 | Very high | 93.7 | Very high | 21 Ų | 21 | 22.5 Ų | 22.5 | 8% | 0.08 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -57.6 | -20.4 | 170.7 | 70.7 | -84.4 | 0 | 0 | 0 | 112.8 | Y54 S55 F58 L60 Y250 Y267 F495 | W52-Y54 VanDerWaalsContact C-N 3.27Å; W52-Y54 PolarHBondContact O-N 3.04Å; W52-S55 WeakPolarHBondContact O-CB 3.26Å; W52-S55 PolarHBondContact O-N 2.77Å; W52-S55 VanDerWaalsContact O-N 3.13Å; W52-F58 HydrophobicContact CB-CD2 4.49Å; W52-F58 HydrophobicContact CE3-CB 3.99Å; W52-F58 AromaticContact CE3-CD1 3.78Å; W52-F58 HydrophobicContact CE3-CD1 3.78Å; W52-F58 AromaticContact CE3-CD2 3.74Å; W52-F58 HydrophobicContact CE3-CD2 3.74Å; W52-F58 HydrophobicContact CE3-CE1 4.18Å; W52-F58 HydrophobicContact CE3-CE2 4.13Å; W52-F58 AromaticContact CE3-CG 3.54Å; W52-F58 HydrophobicContact CE3-CG 3.54Å; W52-F58 HydrophobicContact CE3-CZ 4.33Å; W52-F58 HydrophobicContact CZ3-CB 4.1Å; W52-F58 AromaticContact CZ3-CD1 3.66Å; W52-F58 HydrophobicContact CZ3-CD1 3.66Å; W52-F58 HydrophobicContact CZ3-CD2 4.44Å; W52-F58 HydrophobicContact CZ3-CE1 4.18Å; W52-F58 AromaticContact CZ3-CG 3.81Å; W52-F58 HydrophobicContact CZ3-CG 3.81Å; W52-F58 WeakPolarHBondContact O-CD2 3.27Å; W52-L60 HydrophobicContact CE3-CD1 4.1Å; W52-L60 HydrophobicContact CH2-CD1 3.14Å; W52-L60 HydrophobicContact CZ2-CD1 3.91Å; W52-L60 HydrophobicContact CZ3-CD1 3.28Å; W52-L60 HydrophobicContact CZ3-CG 4.41Å; W52-Y250 HydrophobicContact CH2-CD1 4.43Å; W52-Y250 HydrophobicContact CH2-CD2 4.23Å; W52-Y250 AromaticContact CH2-CE1 3.83Å; W52-Y250 HydrophobicContact CH2-CE1 3.83Å; W52-Y250 AromaticContact CH2-CE2 3.6Å; W52-Y250 HydrophobicContact CH2-CE2 3.6Å; W52-Y250 AromaticContact CH2-CZ 3.36Å; W52-Y250 WeakPolarHBondContact CH2-OH 3.38Å; W52-Y250 HydrophobicContact CZ2-CE1 4.25Å; W52-Y250 AromaticContact CZ2-CZ 3.93Å; W52-Y250 HydrophobicContact CZ3-CE2 4.22Å; W52-Y267 PolarHBondContact NE1-OH 2.82Å; W52-F495 VanDerWaalsContact CA-CD1 3.4Å; W52-F495 HydrophobicContact CB-CB 3.61Å; W52-F495 HydrophobicContact CB-CD1 3.48Å; W52-F495 VanDerWaalsContact CB-CD1 3.48Å; W52-F495 HydrophobicContact CB-CE1 4.3Å; W52-F495 HydrophobicContact CB-CG 3.69Å |
| 53 | E | 94.1 | Very high | 93.8 | Very high | 19 Ų | 19 | 21.8 Ų | 21.8 | 9% | 0.089 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -71.4 | -22 | 179.4 | -53.1 | -164.9 | -123 | 0 | 0 | 113.7 | N32 T51 L60 R61 | N32-E53 PolarHBondContact ND2-OE1 2.93Å; T51-E53 PolarHBondContact O-N 2.88Å; T51-E53 VanDerWaalsContact O-N 3.08Å; T51-E53 WeakPolarHBondContact OG1-CB 3.4Å; T51-E53 PolarHBondContact OG1-N 2.95Å; E53-L60 HydrophobicContact CB-CB 4.06Å; E53-L60 HydrophobicContact CG-CD1 4.28Å; E53-L60 PolarHBondContact O-N 2.85Å; E53-R61 HydrophobicContact CB-CG 3.71Å; E53-R61 VanDerWaalsContact CD-NH2 3.29Å; E53-R61 PolarHBondContact O-N 3.46Å; E53-R61 IonicContact OE1-CZ 3.3Å; E53-R61 IonicContact OE1-NE 3.65Å; E53-R61 IonicContact OE1-NH2 3.67Å; E53-R61 PolarHBondContact OE1-NH2 3.21Å; E53-R61 IonicContact OE2-CZ 2.71Å; E53-R61 IonicContact OE2-NE 3.07Å; E53-R61 PolarHBondContact OE2-NE 2.9Å; E53-R61 IonicContact OE2-NH2 3.81Å; E53-R61 PolarHBondContact OE2-NH2 2.95Å |
| 54 | Y | 95.1 | Very high | 94 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -96.9 | 1.7 | 171.1 | -77.4 | -84 | 0 | 0 | 0 | 113.3 | N32 P36 T51 W52 P56 R61 Y63 L66 F237 | N32-Y54 HydrophobicContact CB-CE2 4.38Å; N32-Y54 WeakPolarHBondContact O-CE2 3.3Å; N32-Y54 VanDerWaalsContact O-CZ 3.22Å; N32-Y54 PolarHBondContact O-OH 2.97Å; P36-Y54 HydrophobicContact CB-CE1 4.35Å; P36-Y54 HydrophobicContact CB-CE2 4.33Å; P36-Y54 HydrophobicContact CG-CD2 4.03Å; P36-Y54 HydrophobicContact CG-CE2 3.78Å; T51-Y54 PolarHBondContact O-N 3.24Å; T51-Y54 VanDerWaalsContact O-N 3.12Å; W52-Y54 VanDerWaalsContact C-N 3.27Å; W52-Y54 PolarHBondContact O-N 3.04Å; Y54-P56 WeakPolarHBondContact O-CD 3.11Å; Y54-R61 HydrophobicContact CD1-CB 4.2Å; Y54-R61 HydrophobicContact CD2-CB 4.06Å; Y54-R61 HydrophobicContact CD2-CG 4.2Å; Y54-R61 HydrophobicContact CE1-CB 3.74Å; Y54-R61 HydrophobicContact CE2-CB 3.53Å; Y54-R61 HydrophobicContact CE2-CG 3.7Å; Y54-R61 HydrophobicContact CG-CB 4.37Å; Y54-R61 VanDerWaalsContact CZ-CB 3.4Å; Y54-Y63 HydrophobicContact CD1-CD1 4.44Å; Y54-Y63 HydrophobicContact CD1-CD2 4.36Å; Y54-Y63 AromaticContact CD1-CE1 3.86Å; Y54-Y63 HydrophobicContact CD1-CE1 3.86Å; Y54-Y63 AromaticContact CD1-CE2 3.78Å; Y54-Y63 HydrophobicContact CD1-CE2 3.78Å; Y54-Y63 AromaticContact CD1-CZ 3.5Å; Y54-Y63 HydrophobicContact CE1-CD1 4.24Å; Y54-Y63 HydrophobicContact CE1-CE1 4.04Å; Y54-Y63 HydrophobicContact CE1-CE2 4.36Å; Y54-Y63 HydrophobicContact CE1-CG 4.5Å; Y54-L66 HydrophobicContact CE1-CD1 3.99Å; Y54-F237 VanDerWaalsContact O-CE1 3.27Å; Y54-F237 WeakPolarHBondContact O-CE1 3.06Å |
| 55 | S | 93.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -69.5 | 133.2 | 172.5 | 144.3 | 0 | 0 | 0 | 0 | 110.4 | W52 S57 F58 G59 D491 | W52-S55 WeakPolarHBondContact O-CB 3.26Å; W52-S55 PolarHBondContact O-N 2.77Å; W52-S55 VanDerWaalsContact O-N 3.13Å; S55-S57 PolarHBondContact O-N 3.28Å; S55-S57 VanDerWaalsContact O-N 3.11Å; S55-S57 PolarHBondContact OG-N 2.91Å; S55-F58 PolarHBondContact O-N 2.75Å; S55-G59 PolarHBondContact O-N 2.98Å; S55-D491 VanDerWaalsContact CB-OD1 3.27Å; S55-D491 WeakPolarHBondContact CB-OD1 3.46Å; S55-D491 PolarHBondContact OG-OD1 2.96Å |
| 56 | P | 92.7 | Very high | 94.6 | Very high | 9 Ų | 9 | 13.6 Ų | 13.6 | 6% | 0.058 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.4 | -35.1 | 170.9 | -33.2 | 33.8 | 0 | 0 | 0 | 115.4 | Y54 F58 F237 R239 T488 D491 | Y54-P56 WeakPolarHBondContact O-CD 3.11Å; P56-F58 VanDerWaalsContact C-N 3.29Å; P56-F58 PolarHBondContact O-N 3.05Å; P56-F237 HydrophobicContact CG-CD1 4.46Å; P56-R239 PolarHBondContact O-NE 2.78Å; P56-R239 VanDerWaalsContact O-NE 3.14Å; P56-R239 PolarHBondContact O-NH1 3.47Å; P56-R239 PolarHBondContact O-NH2 3.4Å; P56-T488 WeakPolarHBondContact CD-O 3.39Å; P56-T488 WeakPolarHBondContact CG-O 3.3Å; P56-D491 WeakPolarHBondContact CD-OD1 3.38Å |
| 57 | S | 90.4 | Very high | 94.9 | Very high | 59 Ų | 59 | 17.3 Ų | 17.3 | 41% | 0.413 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -36.3 | 177.4 | -80.9 | 0 | 0 | 0 | 0 | 113.1 | S55 R239 D491 | S55-S57 PolarHBondContact O-N 3.28Å; S55-S57 VanDerWaalsContact O-N 3.11Å; S55-S57 PolarHBondContact OG-N 2.91Å; S57-R239 PolarHBondContact O-NH1 3.45Å; S57-R239 PolarHBondContact O-NH2 3.13Å; S57-D491 WeakPolarHBondContact CB-OD2 3.46Å; S57-D491 PolarHBondContact N-OD1 3.04Å; S57-D491 PolarHBondContact OG-OD2 3.46Å |
| 58 | F | 91.4 | Very high | 95.1 | Very high | 52 Ų | 52 | 20.6 Ų | 20.6 | 23% | 0.228 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | -50.9 | -175 | -58.2 | -78.3 | 0 | 0 | 0 | 113.4 | W52 S55 P56 L60 F495 | W52-F58 HydrophobicContact CB-CD2 4.49Å; W52-F58 HydrophobicContact CE3-CB 3.99Å; W52-F58 AromaticContact CE3-CD1 3.78Å; W52-F58 HydrophobicContact CE3-CD1 3.78Å; W52-F58 AromaticContact CE3-CD2 3.74Å; W52-F58 HydrophobicContact CE3-CD2 3.74Å; W52-F58 HydrophobicContact CE3-CE1 4.18Å; W52-F58 HydrophobicContact CE3-CE2 4.13Å; W52-F58 AromaticContact CE3-CG 3.54Å; W52-F58 HydrophobicContact CE3-CG 3.54Å; W52-F58 HydrophobicContact CE3-CZ 4.33Å; W52-F58 HydrophobicContact CZ3-CB 4.1Å; W52-F58 AromaticContact CZ3-CD1 3.66Å; W52-F58 HydrophobicContact CZ3-CD1 3.66Å; W52-F58 HydrophobicContact CZ3-CD2 4.44Å; W52-F58 HydrophobicContact CZ3-CE1 4.18Å; W52-F58 AromaticContact CZ3-CG 3.81Å; W52-F58 HydrophobicContact CZ3-CG 3.81Å; W52-F58 WeakPolarHBondContact O-CD2 3.27Å; S55-F58 PolarHBondContact O-N 2.75Å; P56-F58 VanDerWaalsContact C-N 3.29Å; P56-F58 PolarHBondContact O-N 3.05Å; F58-L60 HydrophobicContact CB-CG 4.24Å; F58-F495 HydrophobicContact CE2-CB 4.04Å |
| 59 | G | 93.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | 52.6 | 59.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S55 N246 | S55-G59 PolarHBondContact O-N 2.98Å; G59-N246 PolarHBondContact O-ND2 3.37Å | ||
| 60 | L | 94 | Very high | 95.4 | Very high | 11 Ų | 11 | 20.7 Ų | 20.7 | 6% | 0.058 | 10% | 0.1 | C | C | . | . | trans | -96.6 | -23 | -177 | -61.3 | 176.3 | 0 | 0 | 0 | 113.4 | W52 E53 F58 N246 I247 Y250 | W52-L60 HydrophobicContact CE3-CD1 4.1Å; W52-L60 HydrophobicContact CH2-CD1 3.14Å; W52-L60 HydrophobicContact CZ2-CD1 3.91Å; W52-L60 HydrophobicContact CZ3-CD1 3.28Å; W52-L60 HydrophobicContact CZ3-CG 4.41Å; E53-L60 HydrophobicContact CB-CB 4.06Å; E53-L60 HydrophobicContact CG-CD1 4.28Å; E53-L60 PolarHBondContact O-N 2.85Å; F58-L60 HydrophobicContact CB-CG 4.24Å; L60-N246 HydrophobicContact CD2-CB 3.88Å; L60-I247 HydrophobicContact CD2-CB 4.43Å; L60-Y250 HydrophobicContact CD1-CD1 4.48Å; L60-Y250 HydrophobicContact CD1-CG 4.44Å; L60-Y250 HydrophobicContact CD2-CG 4.5Å | ||
| 61 | R | 95.7 | Very high | 95.5 | Very high | 31 Ų | 31 | 26.3 Ų | 26.3 | 12% | 0.117 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -105.4 | 150 | 175.5 | -61 | -63.2 | 177.9 | -166.1 | -7.3 | 111.1 | Y33 E53 Y54 F237 | Y33-R61 WeakPolarHBondContact OH-CD 3.49Å; Y33-R61 VanDerWaalsContact OH-CZ 3.3Å; Y33-R61 PolarHBondContact OH-NE 2.94Å; Y33-R61 PolarHBondContact OH-NH1 2.86Å; E53-R61 HydrophobicContact CB-CG 3.71Å; E53-R61 VanDerWaalsContact CD-NH2 3.29Å; E53-R61 PolarHBondContact O-N 3.46Å; E53-R61 IonicContact OE1-CZ 3.3Å; E53-R61 IonicContact OE1-NE 3.65Å; E53-R61 IonicContact OE1-NH2 3.67Å; E53-R61 PolarHBondContact OE1-NH2 3.21Å; E53-R61 IonicContact OE2-CZ 2.71Å; E53-R61 IonicContact OE2-NE 3.07Å; E53-R61 PolarHBondContact OE2-NE 2.9Å; E53-R61 IonicContact OE2-NH2 3.81Å; E53-R61 PolarHBondContact OE2-NH2 2.95Å; Y54-R61 HydrophobicContact CD1-CB 4.2Å; Y54-R61 HydrophobicContact CD2-CB 4.06Å; Y54-R61 HydrophobicContact CD2-CG 4.2Å; Y54-R61 HydrophobicContact CE1-CB 3.74Å; Y54-R61 HydrophobicContact CE2-CB 3.53Å; Y54-R61 HydrophobicContact CE2-CG 3.7Å; Y54-R61 HydrophobicContact CG-CB 4.37Å; Y54-R61 VanDerWaalsContact CZ-CB 3.4Å; R61-F237 WeakPolarHBondContact O-CE2 3.32Å; R61-F237 VanDerWaalsContact O-CZ 3.26Å; R61-F237 WeakPolarHBondContact O-CZ 3.18Å |
| 62 | S | 97 | Very high | 95.7 | Very high | 12 Ų | 12 | 26.1 Ų | 26.1 | 8% | 0.084 | 12% | 0.12 | C | C | . | . | trans | -96.8 | 129.7 | -178.9 | -177.9 | 0 | 0 | 0 | 0 | 110.7 | L64 Y65 L229 D233 | S62-L64 VanDerWaalsContact C-N 3.28Å; S62-L64 WeakPolarHBondContact OG-CB 3.45Å; S62-L64 PolarHBondContact OG-N 3.12Å; S62-Y65 WeakPolarHBondContact O-CB 3.29Å; S62-Y65 PolarHBondContact O-N 3.41Å; S62-L229 VanDerWaalsContact OG-CD1 3.27Å; S62-L229 WeakPolarHBondContact OG-CD1 3.45Å; S62-D233 WeakPolarHBondContact CA-OD1 3.48Å; S62-D233 WeakPolarHBondContact CB-OD2 3.47Å; S62-D233 VanDerWaalsContact OG-CG 3.24Å; S62-D233 PolarHBondContact OG-OD1 2.87Å; S62-D233 PolarHBondContact OG-OD2 3.17Å | ||
| 63 | Y | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71.9 | -26.8 | 168.9 | -76.9 | -80.1 | 0 | 0 | 0 | 111.3 | I40 Y54 Y65 L66 W67 D233 Y236 F237 T488 | I40-Y63 HydrophobicContact CD1-CD1 3.5Å; I40-Y63 HydrophobicContact CD1-CE1 3.78Å; Y54-Y63 HydrophobicContact CD1-CD1 4.44Å; Y54-Y63 HydrophobicContact CD1-CD2 4.36Å; Y54-Y63 AromaticContact CD1-CE1 3.86Å; Y54-Y63 HydrophobicContact CD1-CE1 3.86Å; Y54-Y63 AromaticContact CD1-CE2 3.78Å; Y54-Y63 HydrophobicContact CD1-CE2 3.78Å; Y54-Y63 AromaticContact CD1-CZ 3.5Å; Y54-Y63 HydrophobicContact CE1-CD1 4.24Å; Y54-Y63 HydrophobicContact CE1-CE1 4.04Å; Y54-Y63 HydrophobicContact CE1-CE2 4.36Å; Y54-Y63 HydrophobicContact CE1-CG 4.5Å; Y63-Y65 PolarHBondContact O-N 2.96Å; Y63-L66 HydrophobicContact CD1-CD1 4.02Å; Y63-L66 HydrophobicContact CE1-CD1 4.45Å; Y63-L66 WeakPolarHBondContact O-CB 3.46Å; Y63-L66 PolarHBondContact O-N 3.26Å; Y63-L66 VanDerWaalsContact O-N 3.15Å; Y63-W67 PolarHBondContact O-N 3.13Å; Y63-W67 VanDerWaalsContact O-N 3.09Å; Y63-D233 PolarHBondContact N-OD1 3.21Å; Y63-Y236 HydrophobicContact CD1-CD1 4Å; Y63-Y236 HydrophobicContact CD1-CD2 4.16Å; Y63-Y236 HydrophobicContact CD1-CE1 4.47Å; Y63-Y236 AromaticContact CD1-CG 3.83Å; Y63-Y236 HydrophobicContact CD1-CG 3.83Å; Y63-Y236 HydrophobicContact CD2-CD2 4.25Å; Y63-Y236 AromaticContact CD2-CG 3.83Å; Y63-Y236 HydrophobicContact CD2-CG 3.83Å; Y63-Y236 HydrophobicContact CE1-CD1 4.13Å; Y63-Y236 HydrophobicContact CE1-CG 4.26Å; Y63-Y236 VanDerWaalsContact CE2-CB 3.47Å; Y63-Y236 HydrophobicContact CE2-CG 4.22Å; Y63-Y236 HydrophobicContact CG-CD1 4.24Å; Y63-Y236 AromaticContact CG-CD2 3.74Å; Y63-Y236 HydrophobicContact CG-CD2 3.74Å; Y63-Y236 AromaticContact CG-CG 3.59Å; Y63-Y236 HydrophobicContact CG-CG 3.59Å; Y63-F237 HydrophobicContact CD2-CD2 4.13Å; Y63-F237 HydrophobicContact CD2-CE1 4.48Å; Y63-F237 AromaticContact CD2-CE2 3.68Å; Y63-F237 HydrophobicContact CD2-CE2 3.68Å; Y63-F237 AromaticContact CD2-CZ 3.9Å; Y63-F237 HydrophobicContact CD2-CZ 3.9Å; Y63-F237 HydrophobicContact CE2-CD1 4.13Å; Y63-F237 HydrophobicContact CE2-CD2 4.22Å; Y63-F237 AromaticContact CE2-CE1 3.8Å; Y63-F237 HydrophobicContact CE2-CE1 3.8Å; Y63-F237 AromaticContact CE2-CE2 3.83Å; Y63-F237 HydrophobicContact CE2-CE2 3.83Å; Y63-F237 HydrophobicContact CE2-CG 4.35Å; Y63-F237 AromaticContact CE2-CZ 3.61Å; Y63-F237 HydrophobicContact CE2-CZ 3.61Å; Y63-T488 HydrophobicContact CE1-CG2 4.14Å; Y63-T488 WeakPolarHBondContact OH-CB 3.47Å; Y63-T488 WeakPolarHBondContact OH-CG2 3.28Å |
| 64 | L | 97.9 | Very high | 96 | Very high | 24 Ų | 24 | 28.4 Ų | 28.4 | 13% | 0.126 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60 | -35.2 | 173.5 | -179.3 | 62.3 | 0 | 0 | 0 | 111.9 | S62 L66 W67 F68 I189 L229 V232 D233 | S62-L64 VanDerWaalsContact C-N 3.28Å; S62-L64 WeakPolarHBondContact OG-CB 3.45Å; S62-L64 PolarHBondContact OG-N 3.12Å; L64-L66 PolarHBondContact O-N 3.08Å; L64-W67 PolarHBondContact O-N 3.22Å; L64-F68 WeakPolarHBondContact O-CB 3.29Å; L64-F68 PolarHBondContact O-N 2.82Å; L64-I189 HydrophobicContact CD2-CD1 3.95Å; L64-I189 HydrophobicContact CD2-CG1 3.98Å; L64-L229 HydrophobicContact CB-CD1 4.2Å; L64-L229 HydrophobicContact CD2-CB 3.93Å; L64-L229 HydrophobicContact CD2-CD1 4.01Å; L64-V232 HydrophobicContact CB-CB 4.23Å; L64-V232 HydrophobicContact CB-CG1 4.11Å; L64-V232 HydrophobicContact CD1-CB 4.45Å; L64-V232 HydrophobicContact CD1-CG2 4.13Å; L64-D233 PolarHBondContact N-OD1 3.38Å; L64-D233 VanDerWaalsContact N-OD1 3.14Å |
| 65 | Y | 98.4 | Very high | 96.1 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.3 | -47.5 | 173.8 | 176.9 | -94 | 0 | 0 | 0 | 111.8 | Y33 S62 Y63 W67 F68 F69 F154 P156 I189 V190 | Y33-Y65 AromaticContact CD1-CD1 3.7Å; Y33-Y65 HydrophobicContact CD1-CD1 3.7Å; Y33-Y65 AromaticContact CD1-CE1 3.41Å; Y33-Y65 HydrophobicContact CD1-CE1 3.41Å; Y33-Y65 VanDerWaalsContact CD1-CE1 3.41Å; Y33-Y65 AromaticContact CE1-CD1 3.85Å; Y33-Y65 HydrophobicContact CE1-CD1 3.85Å; Y33-Y65 AromaticContact CE1-CE1 3.72Å; Y33-Y65 HydrophobicContact CE1-CE1 3.72Å; Y33-Y65 HydrophobicContact CG-CE1 4.36Å; S62-Y65 WeakPolarHBondContact O-CB 3.29Å; S62-Y65 PolarHBondContact O-N 3.41Å; Y63-Y65 PolarHBondContact O-N 2.96Å; Y65-W67 VanDerWaalsContact C-N 3.32Å; Y65-W67 PolarHBondContact O-N 2.02Å; Y65-F68 PolarHBondContact O-N 3.21Å; Y65-F69 AromaticContact CD2-CD2 3.51Å; Y65-F69 HydrophobicContact CD2-CD2 3.51Å; Y65-F69 AromaticContact CD2-CE2 3.7Å; Y65-F69 HydrophobicContact CD2-CE2 3.7Å; Y65-F69 AromaticContact CE2-CD2 3.32Å; Y65-F69 HydrophobicContact CE2-CD2 3.32Å; Y65-F69 AromaticContact CE2-CE2 3.51Å; Y65-F69 HydrophobicContact CE2-CE2 3.51Å; Y65-F69 HydrophobicContact CE2-CG 4.23Å; Y65-F69 HydrophobicContact CG-CD2 4.21Å; Y65-F69 AromaticContact CZ-CD2 3.89Å; Y65-F69 PolarHBondContact O-N 3.03Å; Y65-F154 HydrophobicContact CE1-CD2 4.42Å; Y65-F154 HydrophobicContact CE1-CE2 4.11Å; Y65-F154 HydrophobicContact CE1-CZ 4.28Å; Y65-F154 PolarHBondContact OH-O 2.98Å; Y65-P156 HydrophobicContact CE2-CB 4.38Å; Y65-P156 HydrophobicContact CE2-CG 4.24Å; Y65-I189 WeakPolarHBondContact CD2-O 3.14Å; Y65-V190 HydrophobicContact CE2-CG1 4.1Å; Y65-V190 HydrophobicContact CE2-CG2 4.49Å |
| 66 | L | 98.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.6 | -39.5 | 178.8 | -59 | 178.1 | 0 | 0 | 0 | 111.4 | Y33 P36 L37 I40 Y54 Y63 L64 G70 F154 | Y33-L66 HydrophobicContact CD1-CD2 4.18Å; P36-L66 HydrophobicContact CB-CD1 3.61Å; L37-L66 HydrophobicContact CB-CD2 4.4Å; I40-L66 HydrophobicContact CD1-CB 4.48Å; I40-L66 HydrophobicContact CD1-CD1 3.68Å; Y54-L66 HydrophobicContact CE1-CD1 3.99Å; Y63-L66 HydrophobicContact CD1-CD1 4.02Å; Y63-L66 HydrophobicContact CE1-CD1 4.45Å; Y63-L66 WeakPolarHBondContact O-CB 3.46Å; Y63-L66 PolarHBondContact O-N 3.26Å; Y63-L66 VanDerWaalsContact O-N 3.15Å; L64-L66 PolarHBondContact O-N 3.08Å; L66-G70 CarbonylContact O-C 3.4Å; L66-G70 WeakPolarHBondContact O-CA 3.47Å; L66-G70 PolarHBondContact O-N 3.03Å; L66-F154 HydrophobicContact CD2-CE1 4.07Å; L66-F154 HydrophobicContact CD2-CZ 4.12Å |
| 67 | W | 97.4 | Very high | 96.5 | Very high | 83 Ų | 83 | 33 Ų | 33 | 31% | 0.314 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -64.7 | -47 | 173.7 | -83 | 106.3 | 0 | 0 | 0 | 112.2 | I40 Y63 L64 Y65 W71 Y74 Y236 | I40-W67 HydrophobicContact CG2-CZ2 4Å; Y63-W67 PolarHBondContact O-N 3.13Å; Y63-W67 VanDerWaalsContact O-N 3.09Å; L64-W67 PolarHBondContact O-N 3.22Å; Y65-W67 VanDerWaalsContact C-N 3.32Å; Y65-W67 PolarHBondContact O-N 2.02Å; W67-W71 WeakPolarHBondContact O-CB 3.39Å; W67-W71 PolarHBondContact O-N 3.36Å; W67-W71 VanDerWaalsContact O-N 3.16Å; W67-Y74 HydrophobicContact CH2-CD2 4.05Å; W67-Y74 HydrophobicContact CH2-CE2 4.15Å; W67-Y74 HydrophobicContact CH2-CG 4.43Å; W67-Y74 HydrophobicContact CZ3-CD1 4.43Å; W67-Y74 HydrophobicContact CZ3-CD2 4.21Å; W67-Y74 HydrophobicContact CZ3-CG 4.12Å; W67-Y236 VanDerWaalsContact CZ2-OH 3.24Å; W67-Y236 WeakPolarHBondContact CZ2-OH 3.46Å; W67-Y236 AromaticContact NE1-CE2 3.35Å; W67-Y236 VanDerWaalsContact NE1-CE2 3.35Å; W67-Y236 AromaticContact NE1-CZ 3.45Å; W67-Y236 PolarHBondContact NE1-OH 3.28Å |
| 68 | F | 97.5 | Very high | 96.7 | Very high | 91 Ų | 91 | 37.7 Ų | 37.7 | 40% | 0.399 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -68.5 | -43.1 | -173.9 | -171.1 | -87.3 | 0 | 0 | 0 | 113.2 | L64 Y65 W71 F185 | L64-F68 WeakPolarHBondContact O-CB 3.29Å; L64-F68 PolarHBondContact O-N 2.82Å; Y65-F68 PolarHBondContact O-N 3.21Å; F68-W71 VanDerWaalsContact O-CD1 3.31Å; F68-F185 HydrophobicContact CD1-CE1 4.15Å; F68-F185 AromaticContact CD1-CZ 3.53Å; F68-F185 HydrophobicContact CD1-CZ 3.53Å; F68-F185 HydrophobicContact CD2-CE2 4.09Å; F68-F185 AromaticContact CD2-CZ 3.79Å; F68-F185 HydrophobicContact CD2-CZ 3.79Å; F68-F185 AromaticContact CE1-CE1 3.92Å; F68-F185 HydrophobicContact CE1-CE1 3.92Å; F68-F185 HydrophobicContact CE1-CE2 4.23Å; F68-F185 AromaticContact CE1-CZ 3.37Å; F68-F185 HydrophobicContact CE1-CZ 3.37Å; F68-F185 AromaticContact CE2-CE2 3.75Å; F68-F185 HydrophobicContact CE2-CE2 3.75Å; F68-F185 AromaticContact CE2-CZ 3.65Å; F68-F185 HydrophobicContact CE2-CZ 3.65Å; F68-F185 HydrophobicContact CG-CE2 4.46Å; F68-F185 AromaticContact CG-CZ 3.73Å; F68-F185 HydrophobicContact CG-CZ 3.73Å; F68-F185 HydrophobicContact CZ-CE1 4.29Å; F68-F185 AromaticContact CZ-CE2 3.82Å; F68-F185 HydrophobicContact CZ-CE2 3.82Å; F68-F185 AromaticContact CZ-CZ 3.43Å; F68-F185 HydrophobicContact CZ-CZ 3.43Å; F68-F185 VanDerWaalsContact CZ-CZ 3.43Å |
| 69 | F | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -96.4 | -25.1 | -178.3 | -67.8 | -79.1 | 0 | 0 | 0 | 113.2 | Y65 P72 F93 L94 L97 F154 P159 F185 V190 | Y65-F69 AromaticContact CD2-CD2 3.51Å; Y65-F69 HydrophobicContact CD2-CD2 3.51Å; Y65-F69 AromaticContact CD2-CE2 3.7Å; Y65-F69 HydrophobicContact CD2-CE2 3.7Å; Y65-F69 AromaticContact CE2-CD2 3.32Å; Y65-F69 HydrophobicContact CE2-CD2 3.32Å; Y65-F69 AromaticContact CE2-CE2 3.51Å; Y65-F69 HydrophobicContact CE2-CE2 3.51Å; Y65-F69 HydrophobicContact CE2-CG 4.23Å; Y65-F69 HydrophobicContact CG-CD2 4.21Å; Y65-F69 AromaticContact CZ-CD2 3.89Å; Y65-F69 PolarHBondContact O-N 3.03Å; F69-P72 WeakPolarHBondContact O-CD 3.37Å; F69-F93 AromaticContact CD1-CE1 3.99Å; F69-F93 HydrophobicContact CD1-CE1 3.99Å; F69-L94 HydrophobicContact CD1-CD2 3.65Å; F69-L94 HydrophobicContact CE1-CD2 4.29Å; F69-L94 HydrophobicContact CG-CD2 4.43Å; F69-L97 HydrophobicContact CE1-CD2 4.02Å; F69-F154 HydrophobicContact CB-CD2 4.35Å; F69-F154 HydrophobicContact CB-CE2 3.59Å; F69-P159 HydrophobicContact CD1-CB 4.34Å; F69-P159 HydrophobicContact CD1-CG 4.25Å; F69-P159 HydrophobicContact CE1-CB 3.64Å; F69-P159 HydrophobicContact CE1-CG 4.04Å; F69-P159 HydrophobicContact CE2-CB 4.43Å; F69-P159 HydrophobicContact CZ-CB 3.68Å; F69-P159 HydrophobicContact CZ-CG 4.27Å; F69-F185 HydrophobicContact CE2-CE1 4.07Å; F69-F185 AromaticContact CZ-CE1 3.89Å; F69-F185 HydrophobicContact CZ-CE1 3.89Å; F69-V190 HydrophobicContact CE2-CG2 3.76Å; F69-V190 HydrophobicContact CZ-CG2 3.94Å |
| 70 | G | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -95.1 | -3.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L66 P72 S73 | L66-G70 CarbonylContact O-C 3.4Å; L66-G70 WeakPolarHBondContact O-CA 3.47Å; L66-G70 PolarHBondContact O-N 3.03Å; G70-P72 WeakPolarHBondContact O-CD 3.02Å; G70-P72 VanDerWaalsContact O-N 3.08Å; G70-S73 WeakPolarHBondContact O-CA 3.37Å; G70-S73 WeakPolarHBondContact O-CB 3.25Å; G70-S73 PolarHBondContact O-N 3.19Å |
| 71 | W | 97.7 | Very high | 97.1 | Very high | 119 Ų | 119 | 47.8 Ų | 47.8 | 45% | 0.451 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -49.1 | -33.4 | 177 | 79.5 | -87.1 | 0 | 0 | 0 | 115.4 | W67 F68 S73 Y74 L75 F93 | W67-W71 WeakPolarHBondContact O-CB 3.39Å; W67-W71 PolarHBondContact O-N 3.36Å; W67-W71 VanDerWaalsContact O-N 3.16Å; F68-W71 VanDerWaalsContact O-CD1 3.31Å; W71-S73 PolarHBondContact O-N 3.11Å; W71-Y74 WeakPolarHBondContact O-CB 3.01Å; W71-Y74 PolarHBondContact O-N 2.65Å; W71-Y74 VanDerWaalsContact O-N 3.16Å; W71-L75 HydrophobicContact CE3-CB 4.43Å; W71-L75 HydrophobicContact CZ3-CB 4.42Å; W71-L75 HydrophobicContact CZ3-CD2 3.8Å; W71-L75 PolarHBondContact O-N 2.71Å; W71-F93 AromaticContact NE1-CE2 3.95Å; W71-F93 AromaticContact NE1-CZ 3.91Å |
| 72 | P | 98.4 | Very high | 97 | Very high | 8 Ų | 8 | 48.9 Ų | 48.9 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.1 | -29.7 | 177.6 | -20.1 | 34.7 | 0 | 0 | 0 | 112.1 | F69 G70 S76 L89 V90 F93 | F69-P72 WeakPolarHBondContact O-CD 3.37Å; G70-P72 WeakPolarHBondContact O-CD 3.02Å; G70-P72 VanDerWaalsContact O-N 3.08Å; P72-S76 WeakPolarHBondContact O-CB 3.49Å; P72-S76 PolarHBondContact O-N 3.28Å; P72-L89 HydrophobicContact CB-CB 3.78Å; P72-V90 HydrophobicContact CB-CG2 4.46Å; P72-F93 HydrophobicContact CG-CB 3.87Å; P72-F93 HydrophobicContact CG-CD1 4.43Å; P72-F93 HydrophobicContact CG-CG 4.13Å |
| 73 | S | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.5 | -46.3 | 173.9 | 179.5 | 0 | 0 | 0 | 0 | 111 | S41 G70 W71 L75 S76 F77 F449 | S41-S73 WeakPolarHBondContact CB-OG 3.23Å; S41-S73 PolarHBondContact OG-OG 2.67Å; G70-S73 WeakPolarHBondContact O-CA 3.37Å; G70-S73 WeakPolarHBondContact O-CB 3.25Å; G70-S73 PolarHBondContact O-N 3.19Å; W71-S73 PolarHBondContact O-N 3.11Å; S73-L75 VanDerWaalsContact C-N 3.34Å; S73-L75 PolarHBondContact O-N 2.97Å; S73-S76 WeakPolarHBondContact O-CB 3.44Å; S73-S76 PolarHBondContact O-N 2.89Å; S73-S76 VanDerWaalsContact O-N 3.16Å; S73-F77 WeakPolarHBondContact O-CD2 3.34Å; S73-F77 PolarHBondContact O-N 3.22Å; S73-F77 VanDerWaalsContact O-N 3.1Å; S73-F449 WeakPolarHBondContact OG-CZ 3.41Å |
| 74 | Y | 95.7 | Very high | 96.8 | Very high | 88 Ų | 88 | 55.3 Ų | 55.3 | 35% | 0.345 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 175.7 | -179.6 | -93.5 | 0 | 0 | 0 | 111.6 | W67 W71 S76 F77 F78 | W67-Y74 HydrophobicContact CH2-CD2 4.05Å; W67-Y74 HydrophobicContact CH2-CE2 4.15Å; W67-Y74 HydrophobicContact CH2-CG 4.43Å; W67-Y74 HydrophobicContact CZ3-CD1 4.43Å; W67-Y74 HydrophobicContact CZ3-CD2 4.21Å; W67-Y74 HydrophobicContact CZ3-CG 4.12Å; W71-Y74 WeakPolarHBondContact O-CB 3.01Å; W71-Y74 PolarHBondContact O-N 2.65Å; W71-Y74 VanDerWaalsContact O-N 3.16Å; Y74-S76 VanDerWaalsContact C-N 3.31Å; Y74-S76 PolarHBondContact O-N 3.45Å; Y74-F77 PolarHBondContact O-N 2.93Å; Y74-F78 WeakPolarHBondContact O-CB 3.36Å; Y74-F78 PolarHBondContact O-N 3.06Å |
| 75 | L | 97.2 | Very high | 96.7 | Very high | 61 Ų | 61 | 56.9 Ų | 56.9 | 32% | 0.319 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.2 | -40.5 | 175.9 | -175.1 | 65.1 | 0 | 0 | 0 | 111.9 | W71 S73 F77 F78 M79 | W71-L75 HydrophobicContact CE3-CB 4.43Å; W71-L75 HydrophobicContact CZ3-CB 4.42Å; W71-L75 HydrophobicContact CZ3-CD2 3.8Å; W71-L75 PolarHBondContact O-N 2.71Å; S73-L75 VanDerWaalsContact C-N 3.34Å; S73-L75 PolarHBondContact O-N 2.97Å; L75-F77 PolarHBondContact O-N 2.83Å; L75-F78 HydrophobicContact CD1-CD1 4.49Å; L75-F78 PolarHBondContact O-N 3.07Å; L75-M79 HydrophobicContact CD1-CE 3.91Å; L75-M79 HydrophobicContact CD1-CG 4.48Å; L75-M79 HydrophobicContact CD1-SD 4.35Å; L75-M79 HydrophobicContact CD2-CE 4.3Å; L75-M79 HydrophobicContact CG-CE 4.14Å; L75-M79 HydrophobicContact CG-SD 4.11Å; L75-M79 WeakPolarHBondContact O-CG 3.35Å; L75-M79 PolarHBondContact O-N 2.97Å |
| 76 | S | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.007 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.6 | -50 | 176.9 | -169 | 0 | 0 | 0 | 0 | 112.1 | P72 S73 Y74 M79 G80 F81 A86 | P72-S76 WeakPolarHBondContact O-CB 3.49Å; P72-S76 PolarHBondContact O-N 3.28Å; S73-S76 WeakPolarHBondContact O-CB 3.44Å; S73-S76 PolarHBondContact O-N 2.89Å; S73-S76 VanDerWaalsContact O-N 3.16Å; Y74-S76 VanDerWaalsContact C-N 3.31Å; Y74-S76 PolarHBondContact O-N 3.45Å; S76-M79 PolarHBondContact O-N 3.04Å; S76-G80 PolarHBondContact O-N 3.37Å; S76-F81 PolarHBondContact O-N 3.28Å; S76-F81 WeakPolarHBondContact OG-CB 3.4Å; S76-A86 WeakPolarHBondContact OG-CA 3.45Å; S76-A86 WeakPolarHBondContact OG-CB 3.47Å; S76-A86 PolarHBondContact OG-N 3.13Å |
| 77 | F | 95.6 | Very high | 96.7 | Very high | 44 Ų | 44 | 56.6 Ų | 56.6 | 19% | 0.193 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.7 | -36.4 | 179.1 | -73.2 | -68.8 | 0 | 0 | 0 | 112.3 | T42 S73 Y74 L75 M79 G80 N83 A86 F449 | T42-F77 HydrophobicContact CG2-CD1 4.21Å; T42-F77 HydrophobicContact CG2-CD2 4.36Å; T42-F77 HydrophobicContact CG2-CE1 3.7Å; T42-F77 HydrophobicContact CG2-CE2 3.85Å; T42-F77 HydrophobicContact CG2-CZ 3.49Å; T42-F77 VanDerWaalsContact CG2-CZ 3.49Å; S73-F77 WeakPolarHBondContact O-CD2 3.34Å; S73-F77 PolarHBondContact O-N 3.22Å; S73-F77 VanDerWaalsContact O-N 3.1Å; Y74-F77 PolarHBondContact O-N 2.93Å; L75-F77 PolarHBondContact O-N 2.83Å; F77-M79 PolarHBondContact O-N 2.79Å; F77-G80 PolarHBondContact O-N 2.83Å; F77-N83 HydrophobicContact CE1-CB 4.34Å; F77-N83 WeakPolarHBondContact CE1-OD1 3.3Å; F77-N83 HydrophobicContact CZ-CB 4.25Å; F77-A86 HydrophobicContact CD2-CB 4.24Å; F77-A86 HydrophobicContact CE2-CB 3.86Å; F77-A86 HydrophobicContact CZ-CB 4.19Å; F77-F449 AromaticContact CE2-CE1 3.68Å; F77-F449 HydrophobicContact CE2-CE1 3.68Å; F77-F449 HydrophobicContact CE2-CZ 4.38Å; F77-F449 HydrophobicContact CZ-CD1 4.33Å; F77-F449 AromaticContact CZ-CE1 3.81Å; F77-F449 HydrophobicContact CZ-CE1 3.81Å |
| 78 | F | 93.9 | Very high | 96.7 | Very high | 159 Ų | 159 | 54.4 Ų | 54.4 | 70% | 0.697 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -58.9 | -35.9 | 173.2 | -179.6 | -99.6 | 0 | 0 | 0 | 112 | Y74 L75 G80 | Y74-F78 WeakPolarHBondContact O-CB 3.36Å; Y74-F78 PolarHBondContact O-N 3.06Å; L75-F78 HydrophobicContact CD1-CD1 4.49Å; L75-F78 PolarHBondContact O-N 3.07Å; F78-G80 VanDerWaalsContact C-N 3.33Å |
| 79 | M | 96.4 | Very high | 96.7 | Very high | 116 Ų | 116 | 52.3 Ų | 52.3 | 57% | 0.571 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -2 | 175.9 | -69.5 | 179.2 | 165.5 | 0 | 0 | 114.3 | L75 S76 F77 F81 | L75-M79 HydrophobicContact CD1-CE 3.91Å; L75-M79 HydrophobicContact CD1-CG 4.48Å; L75-M79 HydrophobicContact CD1-SD 4.35Å; L75-M79 HydrophobicContact CD2-CE 4.3Å; L75-M79 HydrophobicContact CG-CE 4.14Å; L75-M79 HydrophobicContact CG-SD 4.11Å; L75-M79 WeakPolarHBondContact O-CG 3.35Å; L75-M79 PolarHBondContact O-N 2.97Å; S76-M79 PolarHBondContact O-N 3.04Å; F77-M79 PolarHBondContact O-N 2.79Å; M79-F81 HydrophobicContact CB-CD2 3.62Å; M79-F81 HydrophobicContact CB-CE2 3.67Å; M79-F81 HydrophobicContact CG-CE2 4.37Å; M79-F81 HydrophobicContact SD-CD2 4.43Å; M79-F81 HydrophobicContact SD-CE2 3.82Å |
| 80 | G | 94.6 | Very high | 96.8 | Very high | 67 Ų | 67 | 52.3 Ų | 52.3 | 69% | 0.691 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | 20.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | S76 F77 F78 | S76-G80 PolarHBondContact O-N 3.37Å; F77-G80 PolarHBondContact O-N 2.83Å; F78-G80 VanDerWaalsContact C-N 3.33Å |
| 81 | F | 96.2 | Very high | 96.8 | Very high | 91 Ų | 91 | 52.5 Ų | 52.5 | 40% | 0.399 | 26% | 0.256 | S | S | . | . | trans | -75.4 | 155.1 | 174 | -72.1 | -63.1 | 0 | 0 | 0 | 112.2 | S76 M79 F85 | S76-F81 PolarHBondContact O-N 3.28Å; S76-F81 WeakPolarHBondContact OG-CB 3.4Å; M79-F81 HydrophobicContact CB-CD2 3.62Å; M79-F81 HydrophobicContact CB-CE2 3.67Å; M79-F81 HydrophobicContact CG-CE2 4.37Å; M79-F81 HydrophobicContact SD-CD2 4.43Å; M79-F81 HydrophobicContact SD-CE2 3.82Å; F81-F85 HydrophobicContact CB-CB 4.45Å; F81-F85 HydrophobicContact CB-CD1 3.55Å; F81-F85 HydrophobicContact CB-CE1 4.2Å; F81-F85 HydrophobicContact CB-CG 4.35Å; F81-F85 HydrophobicContact CD1-CD1 4.08Å; F81-F85 HydrophobicContact CD1-CE1 4.07Å; F81-F85 AromaticContact CD2-CD1 3.98Å; F81-F85 HydrophobicContact CD2-CD1 3.98Å; F81-F85 AromaticContact CD2-CE1 3.74Å; F81-F85 HydrophobicContact CD2-CE1 3.74Å; F81-F85 HydrophobicContact CE1-CE1 4.39Å; F81-F85 HydrophobicContact CE2-CE1 4.07Å; F81-F85 AromaticContact CG-CD1 3.62Å; F81-F85 HydrophobicContact CG-CD1 3.62Å; F81-F85 AromaticContact CG-CE1 3.75Å; F81-F85 HydrophobicContact CG-CE1 3.75Å; F81-F85 HydrophobicContact CZ-CE1 4.39Å | ||
| 82 | P | 94.5 | Very high | 96.8 | Very high | 55 Ų | 55 | 51.3 Ų | 51.3 | 36% | 0.357 | 25% | 0.254 | S | S | . | . | trans | -68.2 | 156.6 | -178.3 | 28.7 | -36.5 | 0 | 0 | 0 | 113.1 | W84 F85 A86 | P82-W84 VanDerWaalsContact C-N 3.34Å; P82-W84 HydrophobicContact CG-CD2 4.45Å; P82-W84 HydrophobicContact CG-CZ2 3.89Å; P82-W84 PolarHBondContact O-N 2.72Å; P82-F85 HydrophobicContact CG-CB 3.99Å; P82-F85 WeakPolarHBondContact O-CB 3.12Å; P82-F85 PolarHBondContact O-N 3.02Å; P82-A86 PolarHBondContact O-N 3.16Å | ||
| 83 | N | 95.2 | Very high | 96.8 | Very high | 16 Ų | 16 | 53.4 Ų | 53.4 | 9% | 0.086 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.5 | -45.9 | -174.2 | -59.1 | 29.5 | 0 | 0 | 0 | 112.7 | H38 F77 F85 A86 L87 F449 A455 | H38-N83 PolarHBondContact NE2-ND2 3.44Å; H38-N83 VanDerWaalsContact NE2-ND2 3.16Å; F77-N83 HydrophobicContact CE1-CB 4.34Å; F77-N83 WeakPolarHBondContact CE1-OD1 3.3Å; F77-N83 HydrophobicContact CZ-CB 4.25Å; N83-F85 PolarHBondContact O-N 3.18Å; N83-A86 VanDerWaalsContact O-CB 3.29Å; N83-A86 WeakPolarHBondContact O-CB 3.45Å; N83-A86 PolarHBondContact O-N 3.21Å; N83-A86 VanDerWaalsContact O-N 3.07Å; N83-L87 PolarHBondContact O-N 3.26Å; N83-F449 CarbonylContact C-O 3.47Å; N83-F449 HydrophobicContact CB-CD1 4.17Å; N83-F449 WeakPolarHBondContact CB-O 3.42Å; N83-F449 WeakPolarHBondContact O-CD1 3.46Å; N83-A455 PolarHBondContact ND2-N 2.75Å |
| 84 | W | 95.3 | Very high | 96.8 | Very high | 130 Ų | 130 | 53.6 Ų | 53.6 | 49% | 0.492 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.2 | -31.8 | -179 | 64.3 | -97 | 0 | 0 | 0 | 112.4 | P82 L87 L88 F449 | P82-W84 VanDerWaalsContact C-N 3.34Å; P82-W84 HydrophobicContact CG-CD2 4.45Å; P82-W84 HydrophobicContact CG-CZ2 3.89Å; P82-W84 PolarHBondContact O-N 2.72Å; W84-L87 PolarHBondContact O-N 3.33Å; W84-L88 HydrophobicContact CE3-CD1 3.57Å; W84-L88 HydrophobicContact CE3-CG 4.36Å; W84-L88 HydrophobicContact CZ3-CD1 3.59Å; W84-L88 WeakPolarHBondContact O-CG 3.33Å; W84-L88 PolarHBondContact O-N 3.42Å; W84-L88 VanDerWaalsContact O-N 3.14Å; W84-F449 WeakPolarHBondContact CA-O 3.22Å; W84-F449 PolarHBondContact N-O 3.04Å |
| 85 | F | 96.9 | Very high | 96.9 | Very high | 58 Ų | 58 | 49.5 Ų | 49.5 | 25% | 0.254 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -70.1 | -38.5 | 177.7 | -175.4 | -104.4 | 0 | 0 | 0 | 111 | F81 P82 N83 L87 L88 L89 | F81-F85 HydrophobicContact CB-CB 4.45Å; F81-F85 HydrophobicContact CB-CD1 3.55Å; F81-F85 HydrophobicContact CB-CE1 4.2Å; F81-F85 HydrophobicContact CB-CG 4.35Å; F81-F85 HydrophobicContact CD1-CD1 4.08Å; F81-F85 HydrophobicContact CD1-CE1 4.07Å; F81-F85 AromaticContact CD2-CD1 3.98Å; F81-F85 HydrophobicContact CD2-CD1 3.98Å; F81-F85 AromaticContact CD2-CE1 3.74Å; F81-F85 HydrophobicContact CD2-CE1 3.74Å; F81-F85 HydrophobicContact CE1-CE1 4.39Å; F81-F85 HydrophobicContact CE2-CE1 4.07Å; F81-F85 AromaticContact CG-CD1 3.62Å; F81-F85 HydrophobicContact CG-CD1 3.62Å; F81-F85 AromaticContact CG-CE1 3.75Å; F81-F85 HydrophobicContact CG-CE1 3.75Å; F81-F85 HydrophobicContact CZ-CE1 4.39Å; P82-F85 HydrophobicContact CG-CB 3.99Å; P82-F85 WeakPolarHBondContact O-CB 3.12Å; P82-F85 PolarHBondContact O-N 3.02Å; N83-F85 PolarHBondContact O-N 3.18Å; F85-L87 VanDerWaalsContact C-N 3.31Å; F85-L87 PolarHBondContact O-N 3.14Å; F85-L88 PolarHBondContact O-N 3.36Å; F85-L88 VanDerWaalsContact O-N 3.15Å; F85-L89 HydrophobicContact CD1-CD1 3.93Å; F85-L89 HydrophobicContact CD1-CG 4.08Å; F85-L89 HydrophobicContact CE1-CD1 3.54Å; F85-L89 HydrophobicContact CE1-CD2 4.07Å; F85-L89 HydrophobicContact CE1-CG 3.8Å; F85-L89 HydrophobicContact CE2-CD2 4.49Å; F85-L89 HydrophobicContact CZ-CD1 4.23Å; F85-L89 HydrophobicContact CZ-CD2 3.91Å; F85-L89 HydrophobicContact CZ-CG 4.1Å; F85-L89 WeakPolarHBondContact O-CG 3.33Å; F85-L89 PolarHBondContact O-N 2.78Å |
| 86 | A | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.2 | -42.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S76 F77 P82 N83 L89 V90 F449 | S76-A86 WeakPolarHBondContact OG-CA 3.45Å; S76-A86 WeakPolarHBondContact OG-CB 3.47Å; S76-A86 PolarHBondContact OG-N 3.13Å; F77-A86 HydrophobicContact CD2-CB 4.24Å; F77-A86 HydrophobicContact CE2-CB 3.86Å; F77-A86 HydrophobicContact CZ-CB 4.19Å; P82-A86 PolarHBondContact O-N 3.16Å; N83-A86 VanDerWaalsContact O-CB 3.29Å; N83-A86 WeakPolarHBondContact O-CB 3.45Å; N83-A86 PolarHBondContact O-N 3.21Å; N83-A86 VanDerWaalsContact O-N 3.07Å; A86-L89 PolarHBondContact O-N 3.32Å; A86-V90 WeakPolarHBondContact O-CG2 3.28Å; A86-V90 PolarHBondContact O-N 3.35Å; A86-F449 HydrophobicContact CB-CD1 4.33Å; A86-F449 HydrophobicContact CB-CE1 3.85Å |
| 87 | L | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.4 | -45 | 174.4 | -179.2 | 151.9 | 0 | 0 | 0 | 111.7 | W34 N83 W84 F85 L89 V90 R91 F449 F450 | W34-L87 HydrophobicContact CD2-CD1 4.09Å; W34-L87 HydrophobicContact CD2-CG 4.43Å; W34-L87 HydrophobicContact CE3-CD1 4.01Å; W34-L87 HydrophobicContact CE3-CG 4.04Å; W34-L87 HydrophobicContact CH2-CD1 4.42Å; W34-L87 HydrophobicContact CH2-CD2 4.43Å; W34-L87 HydrophobicContact CH2-CG 3.75Å; W34-L87 HydrophobicContact CZ2-CD1 4.47Å; W34-L87 HydrophobicContact CZ2-CG 4.14Å; W34-L87 HydrophobicContact CZ3-CB 4.23Å; W34-L87 HydrophobicContact CZ3-CD1 4.2Å; W34-L87 HydrophobicContact CZ3-CG 3.69Å; N83-L87 PolarHBondContact O-N 3.26Å; W84-L87 PolarHBondContact O-N 3.33Å; F85-L87 VanDerWaalsContact C-N 3.31Å; F85-L87 PolarHBondContact O-N 3.14Å; L87-L89 VanDerWaalsContact C-N 3.29Å; L87-L89 PolarHBondContact O-N 3.09Å; L87-V90 PolarHBondContact O-N 3.15Å; L87-R91 HydrophobicContact CD2-CG 4.22Å; L87-R91 PolarHBondContact O-N 3.34Å; L87-F449 HydrophobicContact CB-CB 3.99Å; L87-F449 HydrophobicContact CB-CD1 4.12Å; L87-F449 HydrophobicContact CB-CD2 4.36Å; L87-F449 HydrophobicContact CB-CG 3.92Å; L87-F449 HydrophobicContact CD1-CB 3.64Å; L87-F449 HydrophobicContact CD1-CD2 4.02Å; L87-F449 HydrophobicContact CD1-CG 4.01Å; L87-F449 HydrophobicContact CG-CB 4.48Å; L87-F450 HydrophobicContact CD1-CD2 4.37Å; L87-F450 HydrophobicContact CD1-CE2 3.55Å; L87-F450 HydrophobicContact CD1-CZ 3.64Å; L87-F450 HydrophobicContact CD2-CZ 3.92Å; L87-F450 HydrophobicContact CG-CZ 4.43Å |
| 88 | L | 97.8 | Very high | 97.2 | Very high | 36 Ų | 36 | 49.8 Ų | 49.8 | 19% | 0.188 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -34.9 | 178.2 | -70.1 | -178.2 | 0 | 0 | 0 | 112.5 | V19 W84 F85 R91 F92 | V19-L88 HydrophobicContact CG1-CB 4.5Å; V19-L88 HydrophobicContact CG1-CD2 4.1Å; V19-L88 VanDerWaalsContact O-CD2 3.28Å; V19-L88 WeakPolarHBondContact O-CD2 3.35Å; W84-L88 HydrophobicContact CE3-CD1 3.57Å; W84-L88 HydrophobicContact CE3-CG 4.36Å; W84-L88 HydrophobicContact CZ3-CD1 3.59Å; W84-L88 WeakPolarHBondContact O-CG 3.33Å; W84-L88 PolarHBondContact O-N 3.42Å; W84-L88 VanDerWaalsContact O-N 3.14Å; F85-L88 PolarHBondContact O-N 3.36Å; F85-L88 VanDerWaalsContact O-N 3.15Å; L88-R91 PolarHBondContact O-N 3.2Å; L88-F92 VanDerWaalsContact O-CB 3.27Å; L88-F92 WeakPolarHBondContact O-CB 3.28Å; L88-F92 PolarHBondContact O-N 2.94Å |
| 89 | L | 98.2 | Very high | 97.4 | Very high | 48 Ų | 48 | 42.2 Ų | 42.2 | 25% | 0.251 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.6 | -38.9 | 175.5 | -73.9 | -174.9 | 0 | 0 | 0 | 112.5 | P72 F85 A86 L87 F92 F93 | P72-L89 HydrophobicContact CB-CB 3.78Å; F85-L89 HydrophobicContact CD1-CD1 3.93Å; F85-L89 HydrophobicContact CD1-CG 4.08Å; F85-L89 HydrophobicContact CE1-CD1 3.54Å; F85-L89 HydrophobicContact CE1-CD2 4.07Å; F85-L89 HydrophobicContact CE1-CG 3.8Å; F85-L89 HydrophobicContact CE2-CD2 4.49Å; F85-L89 HydrophobicContact CZ-CD1 4.23Å; F85-L89 HydrophobicContact CZ-CD2 3.91Å; F85-L89 HydrophobicContact CZ-CG 4.1Å; F85-L89 WeakPolarHBondContact O-CG 3.33Å; F85-L89 PolarHBondContact O-N 2.78Å; A86-L89 PolarHBondContact O-N 3.32Å; L87-L89 VanDerWaalsContact C-N 3.29Å; L87-L89 PolarHBondContact O-N 3.09Å; L89-F92 PolarHBondContact O-N 3.42Å; L89-F93 WeakPolarHBondContact O-CB 3.48Å; L89-F93 PolarHBondContact O-N 2.82Å |
| 90 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.7 | -48.4 | 173.8 | 174.8 | 0 | 0 | 0 | 0 | 110.2 | W34 L37 P72 A86 L87 F92 F93 L94 F154 | W34-V90 HydrophobicContact CH2-CB 3.82Å; W34-V90 HydrophobicContact CH2-CG1 3.63Å; W34-V90 HydrophobicContact CZ3-CB 3.87Å; W34-V90 HydrophobicContact CZ3-CG1 3.84Å; W34-V90 HydrophobicContact CZ3-CG2 4.28Å; L37-V90 HydrophobicContact CD2-CG2 3.95Å; P72-V90 HydrophobicContact CB-CG2 4.46Å; A86-V90 WeakPolarHBondContact O-CG2 3.28Å; A86-V90 PolarHBondContact O-N 3.35Å; L87-V90 PolarHBondContact O-N 3.15Å; V90-F92 VanDerWaalsContact C-N 3.27Å; V90-F92 PolarHBondContact O-N 3.46Å; V90-F93 WeakPolarHBondContact O-CB 3.31Å; V90-F93 PolarHBondContact O-N 2.88Å; V90-L94 WeakPolarHBondContact O-CG 3.06Å; V90-L94 PolarHBondContact O-N 2.79Å; V90-F154 HydrophobicContact CG1-CD2 3.77Å; V90-F154 HydrophobicContact CG1-CE2 3.79Å; V90-F154 HydrophobicContact CG1-CG 4.31Å; V90-F154 HydrophobicContact CG1-CZ 4.39Å |
| 91 | R | 98.4 | Very high | 97.6 | Very high | 5 Ų | 5 | 36.3 Ų | 36.3 | 2% | 0.019 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.4 | -40.7 | 175.2 | -73.9 | -172.1 | 168.4 | -173.9 | -7.8 | 111.9 | V19 N22 W34 L87 L88 L94 G95 | V19-R91 HydrophobicContact CB-CB 4.36Å; V19-R91 HydrophobicContact CG1-CB 4.06Å; V19-R91 HydrophobicContact CG2-CB 4.17Å; V19-R91 WeakPolarHBondContact O-CD 3.27Å; N22-R91 PolarHBondContact O-NH1 3.06Å; N22-R91 PolarHBondContact O-NH2 3.39Å; W34-R91 HydrophobicContact CH2-CG 4.08Å; W34-R91 HydrophobicContact CZ2-CG 4.13Å; L87-R91 HydrophobicContact CD2-CG 4.22Å; L87-R91 PolarHBondContact O-N 3.34Å; L88-R91 PolarHBondContact O-N 3.2Å; R91-L94 PolarHBondContact O-N 2.89Å; R91-G95 PolarHBondContact O-N 3.28Å |
| 92 | F | 98.4 | Very high | 97.7 | Very high | 94 Ų | 94 | 32.6 Ų | 32.6 | 41% | 0.412 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -64.3 | -42.4 | 177.5 | 179 | -102.8 | 0 | 0 | 0 | 111.9 | V19 L88 L89 V90 L94 G95 L96 | V19-F92 HydrophobicContact CG1-CB 4.36Å; V19-F92 HydrophobicContact CG2-CB 4.31Å; L88-F92 VanDerWaalsContact O-CB 3.27Å; L88-F92 WeakPolarHBondContact O-CB 3.28Å; L88-F92 PolarHBondContact O-N 2.94Å; L89-F92 PolarHBondContact O-N 3.42Å; V90-F92 VanDerWaalsContact C-N 3.27Å; V90-F92 PolarHBondContact O-N 3.46Å; F92-L94 PolarHBondContact O-N 3.38Å; F92-G95 PolarHBondContact O-N 2.96Å; F92-L96 WeakPolarHBondContact O-CB 3.42Å; F92-L96 PolarHBondContact O-N 3.31Å |
| 93 | F | 98.6 | Very high | 97.8 | Very high | 53 Ų | 53 | 30.1 Ų | 30.1 | 23% | 0.232 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.7 | -45.6 | 174.5 | 175.6 | -113.3 | 0 | 0 | 0 | 112 | F69 W71 P72 L89 V90 L96 L97 | F69-F93 AromaticContact CD1-CE1 3.99Å; F69-F93 HydrophobicContact CD1-CE1 3.99Å; W71-F93 AromaticContact NE1-CE2 3.95Å; W71-F93 AromaticContact NE1-CZ 3.91Å; P72-F93 HydrophobicContact CG-CB 3.87Å; P72-F93 HydrophobicContact CG-CD1 4.43Å; P72-F93 HydrophobicContact CG-CG 4.13Å; L89-F93 WeakPolarHBondContact O-CB 3.48Å; L89-F93 PolarHBondContact O-N 2.82Å; V90-F93 WeakPolarHBondContact O-CB 3.31Å; V90-F93 PolarHBondContact O-N 2.88Å; F93-L96 PolarHBondContact O-N 3.19Å; F93-L97 PolarHBondContact O-N 2.93Å |
| 94 | L | 98.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.7 | -46 | 174.4 | -66.8 | 179.9 | 0 | 0 | 0 | 112.5 | F69 V90 R91 F92 L96 L97 S98 S151 T153 F154 P159 | F69-L94 HydrophobicContact CD1-CD2 3.65Å; F69-L94 HydrophobicContact CE1-CD2 4.29Å; F69-L94 HydrophobicContact CG-CD2 4.43Å; V90-L94 WeakPolarHBondContact O-CG 3.06Å; V90-L94 PolarHBondContact O-N 2.79Å; R91-L94 PolarHBondContact O-N 2.89Å; F92-L94 PolarHBondContact O-N 3.38Å; L94-L96 VanDerWaalsContact C-N 3.27Å; L94-L96 PolarHBondContact O-N 2.65Å; L94-L97 WeakPolarHBondContact O-CB 3.42Å; L94-L97 PolarHBondContact O-N 3.21Å; L94-S98 WeakPolarHBondContact O-CB 3.39Å; L94-S98 PolarHBondContact O-N 3.01Å; L94-S151 CarbonylContact C-O 3.53Å; L94-S151 VanDerWaalsContact C-O 3.28Å; L94-T153 WeakPolarHBondContact CD1-O 3.2Å; L94-F154 HydrophobicContact CD1-CB 4.35Å; L94-F154 HydrophobicContact CD1-CD2 4.11Å; L94-P159 HydrophobicContact CD2-CG 3.81Å |
| 95 | G | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.4 | -36.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N15 R91 F92 A99 S151 | N15-G95 PolarHBondContact ND2-O 2.72Å; R91-G95 PolarHBondContact O-N 3.28Å; F92-G95 PolarHBondContact O-N 2.96Å; G95-A99 WeakPolarHBondContact O-CB 3.35Å; G95-A99 PolarHBondContact O-N 3.19Å; G95-S151 PolarHBondContact N-O 2.78Å |
| 96 | L | 98.3 | Very high | 98.1 | Very high | 61 Ų | 61 | 22.4 Ų | 22.4 | 32% | 0.319 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -68.6 | -44.9 | 174.5 | -176.4 | 64.6 | 0 | 0 | 0 | 111.5 | F8 L12 F92 F93 L94 S98 A99 V100 | F8-L96 HydrophobicContact CE2-CD1 4.26Å; F8-L96 HydrophobicContact CZ-CD1 4.11Å; L12-L96 HydrophobicContact CD1-CD1 4.34Å; F92-L96 WeakPolarHBondContact O-CB 3.42Å; F92-L96 PolarHBondContact O-N 3.31Å; F93-L96 PolarHBondContact O-N 3.19Å; L94-L96 VanDerWaalsContact C-N 3.27Å; L94-L96 PolarHBondContact O-N 2.65Å; L96-S98 VanDerWaalsContact C-N 3.3Å; L96-S98 PolarHBondContact O-N 3Å; L96-A99 PolarHBondContact O-N 2.81Å; L96-V100 HydrophobicContact CD1-CG2 4.47Å; L96-V100 WeakPolarHBondContact O-CG2 3.46Å; L96-V100 PolarHBondContact O-N 2.97Å |
| 97 | L | 98.4 | Very high | 97.9 | Very high | 37 Ų | 37 | 23 Ų | 23 | 19% | 0.194 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.2 | -47 | 174.7 | 175.8 | 63.3 | 0 | 0 | 0 | 111 | F69 F93 L94 V100 S101 L166 | F69-L97 HydrophobicContact CE1-CD2 4.02Å; F93-L97 PolarHBondContact O-N 2.93Å; L94-L97 WeakPolarHBondContact O-CB 3.42Å; L94-L97 PolarHBondContact O-N 3.21Å; L97-V100 PolarHBondContact O-N 2.94Å; L97-S101 WeakPolarHBondContact O-CB 3.5Å; L97-S101 PolarHBondContact O-N 3.21Å; L97-S101 PolarHBondContact O-OG 3.05Å; L97-L166 HydrophobicContact CD1-CD1 4.08Å |
| 98 | S | 98.3 | Very high | 97.8 | Very high | 13 Ų | 13 | 23.4 Ų | 23.4 | 9% | 0.091 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.5 | -43.2 | 175.8 | 173 | 0 | 0 | 0 | 0 | 112.2 | N15 L94 L96 V100 S101 V102 S162 | N15-S98 VanDerWaalsContact ND2-CB 3.3Å; N15-S98 WeakPolarHBondContact ND2-CB 3.19Å; N15-S98 PolarHBondContact ND2-OG 3.08Å; N15-S98 VanDerWaalsContact ND2-OG 3.08Å; L94-S98 WeakPolarHBondContact O-CB 3.39Å; L94-S98 PolarHBondContact O-N 3.01Å; L96-S98 VanDerWaalsContact C-N 3.3Å; L96-S98 PolarHBondContact O-N 3Å; S98-V100 PolarHBondContact O-N 3.12Å; S98-S101 WeakPolarHBondContact CA-OG 3.35Å; S98-S101 PolarHBondContact O-N 2.6Å; S98-S101 PolarHBondContact O-OG 3.13Å; S98-V102 WeakPolarHBondContact O-CB 3.4Å; S98-V102 VanDerWaalsContact O-CG2 3.31Å; S98-V102 WeakPolarHBondContact O-CG2 3.38Å; S98-V102 PolarHBondContact O-N 3.27Å; S98-S162 WeakPolarHBondContact CA-OG 3.3Å |
| 99 | A | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65 | -39.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F8 A11 L12 N15 G95 L96 S103 | F8-A99 HydrophobicContact CD2-CB 4.35Å; F8-A99 HydrophobicContact CE2-CB 4.16Å; A11-A99 HydrophobicContact CB-CB 3.93Å; L12-A99 HydrophobicContact CB-CB 4.34Å; N15-A99 PolarHBondContact ND2-N 2.59Å; G95-A99 WeakPolarHBondContact O-CB 3.35Å; G95-A99 PolarHBondContact O-N 3.19Å; L96-A99 PolarHBondContact O-N 2.81Å; A99-S103 VanDerWaalsContact O-CB 3.3Å; A99-S103 WeakPolarHBondContact O-CB 3.3Å; A99-S103 PolarHBondContact O-N 2.64Å |
| 100 | V | 97.9 | Very high | 97.4 | Very high | 57 Ų | 57 | 19.4 Ų | 19.4 | 35% | 0.345 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -65 | -45.7 | 173.9 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | F8 L96 L97 S98 V102 S103 L104 | F8-V100 HydrophobicContact CE2-CG2 3.93Å; L96-V100 HydrophobicContact CD1-CG2 4.47Å; L96-V100 WeakPolarHBondContact O-CG2 3.46Å; L96-V100 PolarHBondContact O-N 2.97Å; L97-V100 PolarHBondContact O-N 2.94Å; S98-V100 PolarHBondContact O-N 3.12Å; V100-V102 PolarHBondContact O-N 3.05Å; V100-S103 PolarHBondContact O-N 3.46Å; V100-L104 HydrophobicContact CG1-CD1 3.76Å; V100-L104 HydrophobicContact CG1-CG 4.34Å; V100-L104 WeakPolarHBondContact O-CB 3.27Å; V100-L104 WeakPolarHBondContact O-CG 3.46Å; V100-L104 PolarHBondContact O-N 3.5Å |
| 101 | S | 98.3 | Very high | 97.1 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 1% | 0.014 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.5 | -43.3 | -179.9 | 67 | 0 | 0 | 0 | 0 | 112.1 | L97 S98 L105 S162 | L97-S101 WeakPolarHBondContact O-CB 3.5Å; L97-S101 PolarHBondContact O-N 3.21Å; L97-S101 PolarHBondContact O-OG 3.05Å; S98-S101 WeakPolarHBondContact CA-OG 3.35Å; S98-S101 PolarHBondContact O-N 2.6Å; S98-S101 PolarHBondContact O-OG 3.13Å; S101-L105 WeakPolarHBondContact O-CB 3.23Å; S101-L105 PolarHBondContact O-N 3.33Å; S101-S162 WeakPolarHBondContact CB-O 3.42Å |
| 102 | V | 97.9 | Very high | 96.7 | Very high | 13 Ų | 13 | 23.8 Ų | 23.8 | 8% | 0.079 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.4 | -43.2 | 176.9 | 169.9 | 0 | 0 | 0 | 0 | 111.9 | A11 S98 V100 L105 S106 C141 | A11-V102 HydrophobicContact CB-CB 4.12Å; A11-V102 HydrophobicContact CB-CG1 4.02Å; S98-V102 WeakPolarHBondContact O-CB 3.4Å; S98-V102 VanDerWaalsContact O-CG2 3.31Å; S98-V102 WeakPolarHBondContact O-CG2 3.38Å; S98-V102 PolarHBondContact O-N 3.27Å; V100-V102 PolarHBondContact O-N 3.05Å; V102-L105 PolarHBondContact O-N 3.09Å; V102-S106 VanDerWaalsContact O-CB 3.26Å; V102-S106 WeakPolarHBondContact O-CB 3.36Å; V102-S106 PolarHBondContact O-N 2.83Å; V102-S106 PolarHBondContact O-OG 3.36Å; V102-C141 HydrophobicContact CB-CB 4.29Å; V102-C141 HydrophobicContact CG1-CB 3.53Å; V102-C141 HydrophobicContact CG2-CB 3.74Å |
| 103 | S | 97.2 | Very high | 96.3 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 3% | 0.028 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.4 | -48.1 | 178.1 | 174.9 | 0 | 0 | 0 | 0 | 111.7 | L4 A99 V100 S107 | L4-S103 WeakPolarHBondContact CD1-OG 3.29Å; L4-S103 PolarHBondContact O-OG 3.12Å; A99-S103 VanDerWaalsContact O-CB 3.3Å; A99-S103 WeakPolarHBondContact O-CB 3.3Å; A99-S103 PolarHBondContact O-N 2.64Å; V100-S103 PolarHBondContact O-N 3.46Å; S103-S107 WeakPolarHBondContact O-CB 3.26Å; S103-S107 PolarHBondContact O-N 3.12Å |
| 104 | L | 97.5 | Very high | 95.7 | Very high | 40 Ų | 40 | 17 Ų | 17 | 21% | 0.209 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.2 | -41.3 | 178.3 | -71.6 | 174.8 | 0 | 0 | 0 | 111.7 | L4 V100 T108 L166 V169 | L4-L104 HydrophobicContact CD1-CD2 3.95Å; V100-L104 HydrophobicContact CG1-CD1 3.76Å; V100-L104 HydrophobicContact CG1-CG 4.34Å; V100-L104 WeakPolarHBondContact O-CB 3.27Å; V100-L104 WeakPolarHBondContact O-CG 3.46Å; V100-L104 PolarHBondContact O-N 3.5Å; L104-T108 WeakPolarHBondContact O-CB 3.35Å; L104-T108 PolarHBondContact O-N 3.35Å; L104-T108 PolarHBondContact O-OG1 3.31Å; L104-L166 HydrophobicContact CD1-CD2 3.83Å; L104-V169 VanDerWaalsContact C-CG2 3.49Å; L104-V169 HydrophobicContact CB-CG1 4.09Å; L104-V169 HydrophobicContact CB-CG2 3.9Å |
| 105 | L | 97.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61 | -54.4 | 177.6 | -177.8 | 65.1 | 0 | 0 | 0 | 110.8 | S101 V102 S107 T108 V109 A165 L168 V169 P358 V362 | S101-L105 WeakPolarHBondContact O-CB 3.23Å; S101-L105 PolarHBondContact O-N 3.33Å; V102-L105 PolarHBondContact O-N 3.09Å; L105-S107 VanDerWaalsContact C-N 3.34Å; L105-S107 PolarHBondContact O-N 3.24Å; L105-T108 PolarHBondContact O-N 3.36Å; L105-V109 HydrophobicContact CD1-CG2 3.77Å; L105-V109 HydrophobicContact CG-CG2 4.29Å; L105-V109 WeakPolarHBondContact O-CB 3.43Å; L105-V109 VanDerWaalsContact O-CG2 3.29Å; L105-V109 WeakPolarHBondContact O-CG2 2.96Å; L105-V109 PolarHBondContact O-N 3.04Å; L105-A165 HydrophobicContact CD2-CB 4.09Å; L105-L168 HydrophobicContact CD1-CB 4.22Å; L105-L168 HydrophobicContact CD1-CD2 3.84Å; L105-L168 HydrophobicContact CD1-CG 4.04Å; L105-V169 HydrophobicContact CB-CG2 3.92Å; L105-V169 HydrophobicContact CD1-CG2 4.18Å; L105-V169 VanDerWaalsContact N-CG2 3.3Å; L105-P358 HydrophobicContact CD2-CB 4.1Å; L105-V362 HydrophobicContact CD1-CG2 4.22Å; L105-V362 HydrophobicContact CD2-CG2 3.93Å; L105-V362 HydrophobicContact CG-CG2 4.19Å |
| 106 | S | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -53.4 | -49.7 | 178.9 | -64.8 | 0 | 0 | 0 | 0 | 112.4 | V102 A110 S134 S138 | V102-S106 VanDerWaalsContact O-CB 3.26Å; V102-S106 WeakPolarHBondContact O-CB 3.36Å; V102-S106 PolarHBondContact O-N 2.83Å; V102-S106 PolarHBondContact O-OG 3.36Å; S106-A110 VanDerWaalsContact O-CB 3.3Å; S106-A110 WeakPolarHBondContact O-CB 3.4Å; S106-A110 PolarHBondContact O-N 3.29Å; S106-S134 WeakPolarHBondContact CB-O 3.22Å; S106-S134 PolarHBondContact O-OG 3.43Å; S106-S138 WeakPolarHBondContact OG-CA 3.33Å; S106-S138 PolarHBondContact OG-N 3.47Å |
| 107 | S | 94.8 | Very high | 91.1 | Very high | 13 Ų | 13 | 22.5 Ų | 22.5 | 9% | 0.091 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -67.8 | -38.2 | -179.7 | 178.4 | 0 | 0 | 0 | 0 | 112.8 | H3 S103 L105 T111 | H3-S107 PolarHBondContact CD2-OG 3.38Å; S103-S107 WeakPolarHBondContact O-CB 3.26Å; S103-S107 PolarHBondContact O-N 3.12Å; L105-S107 VanDerWaalsContact C-N 3.34Å; L105-S107 PolarHBondContact O-N 3.24Å; S107-T111 WeakPolarHBondContact O-CB 3.41Å; S107-T111 PolarHBondContact O-N 2.87Å; S107-T111 PolarHBondContact O-OG1 3.22Å |
| 108 | T | 94.9 | Very high | 88.7 | Confident | 8 Ų | 8 | 27.9 Ų | 27.9 | 5% | 0.049 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -74.8 | -45.4 | -174.5 | -59.2 | 0 | 0 | 0 | 0 | 111 | L104 L105 A110 T111 Y112 V169 L172 K173 | L104-T108 WeakPolarHBondContact O-CB 3.35Å; L104-T108 PolarHBondContact O-N 3.35Å; L104-T108 PolarHBondContact O-OG1 3.31Å; L105-T108 PolarHBondContact O-N 3.36Å; T108-A110 VanDerWaalsContact C-N 3.35Å; T108-A110 PolarHBondContact O-N 2.82Å; T108-T111 PolarHBondContact O-N 2.93Å; T108-Y112 WeakPolarHBondContact O-CB 3.45Å; T108-Y112 PolarHBondContact O-N 3.45Å; T108-V169 HydrophobicContact CG2-CG1 4.46Å; T108-L172 HydrophobicContact CG2-CB 3.88Å; T108-L172 HydrophobicContact CG2-CD1 4.47Å; T108-K173 HydrophobicContact CG2-CD 4.39Å; T108-K173 HydrophobicContact CG2-CG 3.76Å; T108-K173 VanDerWaalsContact OG1-CE 3.27Å; T108-K173 WeakPolarHBondContact OG1-CE 3.46Å |
| 109 | V | 95.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.1 | -45 | 176.8 | 179.7 | 0 | 0 | 0 | 0 | 110 | L105 T111 Y112 I113 F133 L137 L172 I327 V362 | L105-V109 HydrophobicContact CD1-CG2 3.77Å; L105-V109 HydrophobicContact CG-CG2 4.29Å; L105-V109 WeakPolarHBondContact O-CB 3.43Å; L105-V109 VanDerWaalsContact O-CG2 3.29Å; L105-V109 WeakPolarHBondContact O-CG2 2.96Å; L105-V109 PolarHBondContact O-N 3.04Å; V109-T111 VanDerWaalsContact C-N 3.33Å; V109-T111 PolarHBondContact O-N 3.23Å; V109-Y112 PolarHBondContact O-N 2.91Å; V109-I113 HydrophobicContact CG1-CD1 3.93Å; V109-I113 HydrophobicContact CG1-CG1 4.46Å; V109-I113 WeakPolarHBondContact O-CG1 3.41Å; V109-I113 PolarHBondContact O-N 3.13Å; V109-F133 HydrophobicContact CB-CE1 4.2Å; V109-F133 HydrophobicContact CG1-CE1 3.61Å; V109-F133 HydrophobicContact CG1-CZ 4Å; V109-L137 HydrophobicContact CB-CD2 3.79Å; V109-L137 HydrophobicContact CG1-CD2 4.06Å; V109-L137 HydrophobicContact CG2-CD2 4.03Å; V109-L172 HydrophobicContact CG2-CD1 3.8Å; V109-I327 HydrophobicContact CG1-CD1 3.81Å; V109-I327 HydrophobicContact CG1-CG2 4.48Å; V109-V362 HydrophobicContact CG1-CG1 4.43Å; V109-V362 HydrophobicContact CG2-CG2 4.38Å |
| 110 | A | 93.1 | Very high | 84.1 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.7 | -46.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | S106 T108 Y114 F133 | S106-A110 VanDerWaalsContact O-CB 3.3Å; S106-A110 WeakPolarHBondContact O-CB 3.4Å; S106-A110 PolarHBondContact O-N 3.29Å; T108-A110 VanDerWaalsContact C-N 3.35Å; T108-A110 PolarHBondContact O-N 2.82Å; A110-Y114 WeakPolarHBondContact O-CD2 3.21Å; A110-Y114 PolarHBondContact O-N 2.84Å; A110-F133 HydrophobicContact CB-CD1 3.79Å |
| 111 | T | 91.5 | Very high | 81.5 | Confident | 60 Ų | 60 | 47.5 Ų | 47.5 | 37% | 0.368 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.6 | -41.5 | 179.7 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | S107 T108 V109 Y114 S115 | S107-T111 WeakPolarHBondContact O-CB 3.41Å; S107-T111 PolarHBondContact O-N 2.87Å; S107-T111 PolarHBondContact O-OG1 3.22Å; T108-T111 PolarHBondContact O-N 2.93Å; V109-T111 VanDerWaalsContact C-N 3.33Å; V109-T111 PolarHBondContact O-N 3.23Å; T111-Y114 CarbonylContact O-C 3.57Å; T111-Y114 PolarHBondContact O-N 3.02Å; T111-S115 WeakPolarHBondContact O-CA 3.21Å; T111-S115 VanDerWaalsContact O-CB 3.28Å; T111-S115 WeakPolarHBondContact O-CB 3.48Å; T111-S115 PolarHBondContact O-N 2.75Å |
| 112 | Y | 91.3 | Very high | 79.1 | Confident | 36 Ų | 36 | 51.4 Ų | 51.4 | 14% | 0.141 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.2 | -52.2 | 179.5 | -171.4 | -91.8 | 0 | 0 | 0 | 110.9 | T108 V109 Y114 S115 L172 S323 D326 I327 | T108-Y112 WeakPolarHBondContact O-CB 3.45Å; T108-Y112 PolarHBondContact O-N 3.45Å; V109-Y112 PolarHBondContact O-N 2.91Å; Y112-Y114 VanDerWaalsContact C-N 3.28Å; Y112-Y114 PolarHBondContact O-N 3.39Å; Y112-S115 PolarHBondContact O-N 3.1Å; Y112-S115 PolarHBondContact O-OG 2.8Å; Y112-L172 HydrophobicContact CD1-CD2 4.2Å; Y112-L172 HydrophobicContact CD2-CB 4.14Å; Y112-L172 HydrophobicContact CD2-CD2 4.07Å; Y112-L172 HydrophobicContact CE1-CD2 4.18Å; Y112-L172 HydrophobicContact CE2-CD2 4.08Å; Y112-L172 HydrophobicContact CG-CD2 4.14Å; Y112-S323 WeakPolarHBondContact CD1-OG 3.5Å; Y112-S323 WeakPolarHBondContact CE1-OG 3.22Å; Y112-S323 PolarHBondContact O-OG 3.45Å; Y112-D326 HydrophobicContact CE1-CB 4.18Å; Y112-D326 PolarHBondContact OH-OD2 2.94Å; Y112-I327 HydrophobicContact CD1-CD1 3.44Å; Y112-I327 VanDerWaalsContact CD1-CD1 3.44Å; Y112-I327 HydrophobicContact CD1-CG1 3.74Å; Y112-I327 HydrophobicContact CE1-CD1 4.15Å; Y112-I327 HydrophobicContact CE1-CG1 3.98Å; Y112-I327 HydrophobicContact CG-CD1 4.3Å |
| 113 | I | 89.9 | Confident | 77 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -53.9 | -44.8 | 179.4 | -68.4 | 172.3 | 0 | 0 | 0 | 111.4 | V109 F133 S323 L324 I327 L369 | V109-I113 HydrophobicContact CG1-CD1 3.93Å; V109-I113 HydrophobicContact CG1-CG1 4.46Å; V109-I113 WeakPolarHBondContact O-CG1 3.41Å; V109-I113 PolarHBondContact O-N 3.13Å; I113-F133 HydrophobicContact CD1-CD1 4.28Å; I113-F133 HydrophobicContact CD1-CE1 3.71Å; I113-F133 HydrophobicContact CD1-CE2 4.1Å; I113-F133 HydrophobicContact CD1-CZ 3.59Å; I113-S323 VanDerWaalsContact CA-OG 3.28Å; I113-S323 WeakPolarHBondContact CA-OG 3.49Å; I113-S323 PolarHBondContact N-OG 3.42Å; I113-L324 HydrophobicContact CD1-CD1 3.89Å; I113-L324 HydrophobicContact CG1-CD1 4.15Å; I113-L324 HydrophobicContact CG2-CD1 4.42Å; I113-I327 HydrophobicContact CD1-CD1 3.9Å; I113-I327 HydrophobicContact CG1-CD1 3.27Å; I113-L369 HydrophobicContact CD1-CD2 4.42Å |
| 114 | Y | 86.3 | Confident | 75.2 | Confident | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 14.7 | -172 | -65.8 | -61.8 | 0 | 0 | 0 | 114 | A110 T111 Y112 L126 R129 K130 F133 L369 | A110-Y114 WeakPolarHBondContact O-CD2 3.21Å; A110-Y114 PolarHBondContact O-N 2.84Å; T111-Y114 CarbonylContact O-C 3.57Å; T111-Y114 PolarHBondContact O-N 3.02Å; Y112-Y114 VanDerWaalsContact C-N 3.28Å; Y112-Y114 PolarHBondContact O-N 3.39Å; Y114-L126 HydrophobicContact CD1-CD1 3.75Å; Y114-L126 HydrophobicContact CG-CD1 4.05Å; Y114-R129 HydrophobicContact CE1-CB 4.13Å; Y114-R129 HydrophobicContact CE2-CB 4.2Å; Y114-K130 HydrophobicContact CD2-CB 4.29Å; Y114-K130 HydrophobicContact CD2-CG 3.49Å; Y114-K130 VanDerWaalsContact CD2-CG 3.49Å; Y114-K130 HydrophobicContact CE2-CG 4.41Å; Y114-K130 HydrophobicContact CG-CG 3.87Å; Y114-K130 WeakPolarHBondContact O-CE 3.42Å; Y114-K130 PolarHBondContact O-NZ 3.16Å; Y114-F133 HydrophobicContact CE2-CB 4.05Å; Y114-L369 WeakPolarHBondContact OH-CD1 3.4Å |
| 115 | S | 78.2 | Confident | 74.2 | Confident | 45 Ų | 45 | 62.4 Ų | 62.4 | 32% | 0.315 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -44.1 | 179.4 | 57.8 | 0 | 0 | 0 | 0 | 112.3 | T111 Y112 N117 Q118 | T111-S115 WeakPolarHBondContact O-CA 3.21Å; T111-S115 VanDerWaalsContact O-CB 3.28Å; T111-S115 WeakPolarHBondContact O-CB 3.48Å; T111-S115 PolarHBondContact O-N 2.75Å; Y112-S115 PolarHBondContact O-N 3.1Å; Y112-S115 PolarHBondContact O-OG 2.8Å; S115-N117 PolarHBondContact O-N 3.23Å; S115-Q118 PolarHBondContact O-N 3.41Å |
| 116 | N | 62.8 | Low | 73.4 | Confident | 92 Ų | 92 | 64.1 Ų | 64.1 | 49% | 0.492 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -73.3 | -11.3 | -176.8 | -74.9 | -10.3 | 0 | 0 | 0 | 114.3 | Q118 N321 | N116-Q118 VanDerWaalsContact C-N 3.27Å; N116-Q118 PolarHBondContact O-N 2.98Å; N116-N321 WeakPolarHBondContact CB-O 3.4Å |
| 117 | N | 57.4 | Low | 72.8 | Confident | 45 Ų | 45 | 68.1 Ų | 68.1 | 24% | 0.241 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -80.3 | -1.4 | 176.2 | -70.5 | -10.6 | 0 | 0 | 0 | 113.6 | S115 K119 Q120 L126 | S115-N117 PolarHBondContact O-N 3.23Å; N117-K119 PolarHBondContact O-N 3.37Å; N117-K119 VanDerWaalsContact O-N 3.11Å; N117-Q120 PolarHBondContact O-N 2.83Å; N117-Q120 VanDerWaalsContact O-N 3.17Å; N117-L126 HydrophobicContact CB-CD1 4.22Å |
| 118 | Q | 48.6 | Very low | 72.4 | Confident | 149 Ų | 149 | 74 Ų | 74 | 70% | 0.696 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -63.6 | -15.3 | -177.2 | -84.7 | -159.4 | -18 | 0 | 0 | 115.3 | S115 N116 Q120 | S115-Q118 PolarHBondContact O-N 3.41Å; N116-Q118 VanDerWaalsContact C-N 3.27Å; N116-Q118 PolarHBondContact O-N 2.98Å; Q118-Q120 PolarHBondContact O-N 3.02Å |
| 119 | K | 49.8 | Very low | 71.9 | Confident | 202 Ų | 202 | 78 Ų | 78 | 88% | 0.878 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -67.2 | -16.4 | 175 | -71.4 | -171.8 | 178.9 | -178 | 0 | 113.1 | N117 | N117-K119 PolarHBondContact O-N 3.37Å; N117-K119 VanDerWaalsContact O-N 3.11Å |
| 120 | Q | 49.3 | Very low | 71.6 | Confident | 163 Ų | 163 | 79.6 Ų | 79.6 | 76% | 0.762 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -97.1 | 103.3 | 167.5 | -77.5 | 174.7 | -17.9 | 0 | 0 | 108.8 | N117 Q118 G122 | N117-Q120 PolarHBondContact O-N 2.83Å; N117-Q120 VanDerWaalsContact O-N 3.17Å; Q118-Q120 PolarHBondContact O-N 3.02Å; Q120-G122 PolarHBondContact O-N 3.48Å |
| 121 | T | 42.3 | Very low | 71.4 | Confident | 117 Ų | 117 | 82.1 Ų | 82.1 | 72% | 0.718 | 44% | 0.435 | S | S | * | . | trans | -25.8 | 121 | 173.8 | 46.7 | 0 | 0 | 0 | 0 | 115.6 | E123 | T121-E123 PolarHBondContact O-N 2.91Š| ||
| 122 | G | 48.6 | Very low | 71.3 | Confident | 85 Ų | 85 | 84 Ų | 84 | 88% | 0.876 | 44% | 0.443 | S | S | * | . | trans | 57.7 | 6.1 | 136.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | Q120 | Q120-G122 PolarHBondContact O-N 3.48Š| ||
| 123 | E | 53.3 | Low | 71.3 | Confident | 131 Ų | 131 | 82.5 Ų | 82.5 | 61% | 0.612 | 44% | 0.437 | S | S | * | . | trans | -72.8 | 131.6 | -172.7 | -77.1 | -175.8 | 177.3 | 0 | 0 | 112.3 | T121 D125 L126 | T121-E123 PolarHBondContact O-N 2.91Å; E123-D125 PolarHBondContact O-N 3.39Å; E123-L126 PolarHBondContact O-N 3.29Å | ||
| 124 | P | 60.2 | Low | 71.5 | Confident | 96 Ų | 96 | 82.5 Ų | 82.5 | 62% | 0.623 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -56.4 | -14.9 | 174.1 | 21.7 | -32.1 | 0 | 0 | 0 | 113.3 | K128 | P124-K128 WeakPolarHBondContact O-CG 3.49Å; P124-K128 PolarHBondContact O-N 3Å |
| 125 | D | 76.6 | Confident | 71.8 | Confident | 61 Ų | 61 | 86.2 Ų | 86.2 | 33% | 0.326 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -71.9 | -37.3 | 179 | -156.8 | 37.8 | 0 | 0 | 0 | 113.4 | E123 T127 K128 R129 | E123-D125 PolarHBondContact O-N 3.39Å; D125-T127 VanDerWaalsContact C-N 3.35Å; D125-T127 PolarHBondContact O-N 2.98Å; D125-K128 WeakPolarHBondContact O-CB 3.49Å; D125-K128 PolarHBondContact O-N 3.03Å; D125-R129 WeakPolarHBondContact O-CG 3.49Å; D125-R129 PolarHBondContact O-N 3.2Å; D125-R129 IonicContact OD2-CZ 3.24Å; D125-R129 VanDerWaalsContact OD2-CZ 3.24Å; D125-R129 IonicContact OD2-NE 2.91Å; D125-R129 PolarHBondContact OD2-NE 3.44Å; D125-R129 IonicContact OD2-NH2 2.76Å; D125-R129 PolarHBondContact OD2-NH2 3.49Å |
| 126 | L | 81 | Confident | 72.6 | Confident | 37 Ų | 37 | 85 Ų | 85 | 19% | 0.194 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.2 | -39.8 | -179.9 | -172.5 | 67.3 | 0 | 0 | 0 | 112 | Y114 N117 E123 K128 R129 K130 | Y114-L126 HydrophobicContact CD1-CD1 3.75Å; Y114-L126 HydrophobicContact CG-CD1 4.05Å; N117-L126 HydrophobicContact CB-CD1 4.22Å; E123-L126 PolarHBondContact O-N 3.29Å; L126-K128 VanDerWaalsContact C-N 3.35Å; L126-R129 PolarHBondContact O-N 3.33Å; L126-K130 WeakPolarHBondContact O-CG 3.38Å; L126-K130 PolarHBondContact O-N 3.01Å |
| 127 | T | 84.4 | Confident | 74.1 | Confident | 84 Ų | 84 | 80.6 Ų | 80.6 | 52% | 0.515 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66 | -40 | 176.8 | -61.5 | 0 | 0 | 0 | 0 | 110.9 | D125 K130 I131 | D125-T127 VanDerWaalsContact C-N 3.35Å; D125-T127 PolarHBondContact O-N 2.98Å; T127-K130 PolarHBondContact O-N 3.31Å; T127-I131 HydrophobicContact CG2-CD1 3.92Å; T127-I131 VanDerWaalsContact O-CG1 3.27Å; T127-I131 WeakPolarHBondContact O-CG1 3.41Å; T127-I131 PolarHBondContact O-N 3.1Å |
| 128 | K | 85.1 | Confident | 76 | Confident | 137 Ų | 137 | 78.4 Ų | 78.4 | 60% | 0.596 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62 | -46.3 | 174.3 | -71.7 | 173.8 | -175.9 | 179.3 | 0 | 111.3 | P124 D125 L126 K130 I131 L132 | P124-K128 WeakPolarHBondContact O-CG 3.49Å; P124-K128 PolarHBondContact O-N 3Å; D125-K128 WeakPolarHBondContact O-CB 3.49Å; D125-K128 PolarHBondContact O-N 3.03Å; L126-K128 VanDerWaalsContact C-N 3.35Å; K128-K130 PolarHBondContact O-N 3.42Å; K128-I131 PolarHBondContact O-N 3.28Å; K128-L132 WeakPolarHBondContact O-CB 3.26Å; K128-L132 PolarHBondContact O-N 2.89Å |
| 129 | R | 85.6 | Confident | 78.2 | Confident | 90 Ų | 90 | 72.6 Ų | 72.6 | 34% | 0.34 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 176.6 | -68.9 | 178.4 | -169.1 | -159.2 | 5.8 | 112.5 | Y114 D125 L126 I131 L132 F133 | Y114-R129 HydrophobicContact CE1-CB 4.13Å; Y114-R129 HydrophobicContact CE2-CB 4.2Å; D125-R129 WeakPolarHBondContact O-CG 3.49Å; D125-R129 PolarHBondContact O-N 3.2Å; D125-R129 IonicContact OD2-CZ 3.24Å; D125-R129 VanDerWaalsContact OD2-CZ 3.24Å; D125-R129 IonicContact OD2-NE 2.91Å; D125-R129 PolarHBondContact OD2-NE 3.44Å; D125-R129 IonicContact OD2-NH2 2.76Å; D125-R129 PolarHBondContact OD2-NH2 3.49Å; L126-R129 PolarHBondContact O-N 3.33Å; R129-I131 PolarHBondContact O-N 3.16Å; R129-L132 PolarHBondContact O-N 3.29Å; R129-F133 WeakPolarHBondContact O-CB 3.43Å; R129-F133 PolarHBondContact O-N 2.95Å |
| 130 | K | 88.7 | Confident | 80.4 | Confident | 34 Ų | 34 | 63 Ų | 63 | 15% | 0.148 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -57.1 | -47 | 173.5 | -78.3 | 174.9 | 179.5 | 178.2 | 0 | 112.1 | Y114 L126 T127 K128 S134 | Y114-K130 HydrophobicContact CD2-CB 4.29Å; Y114-K130 HydrophobicContact CD2-CG 3.49Å; Y114-K130 VanDerWaalsContact CD2-CG 3.49Å; Y114-K130 HydrophobicContact CE2-CG 4.41Å; Y114-K130 HydrophobicContact CG-CG 3.87Å; Y114-K130 WeakPolarHBondContact O-CE 3.42Å; Y114-K130 PolarHBondContact O-NZ 3.16Å; L126-K130 WeakPolarHBondContact O-CG 3.38Å; L126-K130 PolarHBondContact O-N 3.01Å; T127-K130 PolarHBondContact O-N 3.31Å; K128-K130 PolarHBondContact O-N 3.42Å; K130-S134 VanDerWaalsContact O-CB 3.25Å; K130-S134 WeakPolarHBondContact O-CB 3.31Å; K130-S134 PolarHBondContact O-N 3.35Å |
| 131 | I | 89.6 | Confident | 82.7 | Confident | 54 Ų | 54 | 55.8 Ų | 55.8 | 28% | 0.277 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 179.4 | -69.1 | 167.5 | 0 | 0 | 0 | 110.7 | H3 T127 K128 R129 S134 F135 | H3-I131 HydrophobicContact CB-CG1 4.35Å; T127-I131 HydrophobicContact CG2-CD1 3.92Å; T127-I131 VanDerWaalsContact O-CG1 3.27Å; T127-I131 WeakPolarHBondContact O-CG1 3.41Å; T127-I131 PolarHBondContact O-N 3.1Å; K128-I131 PolarHBondContact O-N 3.28Å; R129-I131 PolarHBondContact O-N 3.16Å; I131-S134 PolarHBondContact O-N 3.34Å; I131-F135 WeakPolarHBondContact O-CB 3.41Å; I131-F135 PolarHBondContact O-N 3.16Å |
| 132 | L | 88.8 | Confident | 85.2 | Confident | 101 Ų | 101 | 50.6 Ų | 50.6 | 53% | 0.529 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.9 | -48.6 | 179.5 | 179.7 | 64.7 | 0 | 0 | 0 | 111.6 | K128 R129 F135 L136 | K128-L132 WeakPolarHBondContact O-CB 3.26Å; K128-L132 PolarHBondContact O-N 2.89Å; R129-L132 PolarHBondContact O-N 3.29Å; L132-F135 WeakPolarHBondContact O-CB 3.16Å; L132-F135 PolarHBondContact O-N 2.95Å; L132-L136 WeakPolarHBondContact O-CB 3.42Å; L132-L136 PolarHBondContact O-N 3Å |
| 133 | F | 91.9 | Very high | 87.3 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.3 | -42.2 | 178.2 | -178.4 | -93.1 | 0 | 0 | 0 | 111.8 | V109 A110 I113 Y114 R129 F135 L136 L137 A365 V366 L369 | V109-F133 HydrophobicContact CB-CE1 4.2Å; V109-F133 HydrophobicContact CG1-CE1 3.61Å; V109-F133 HydrophobicContact CG1-CZ 4Å; A110-F133 HydrophobicContact CB-CD1 3.79Å; I113-F133 HydrophobicContact CD1-CD1 4.28Å; I113-F133 HydrophobicContact CD1-CE1 3.71Å; I113-F133 HydrophobicContact CD1-CE2 4.1Å; I113-F133 HydrophobicContact CD1-CZ 3.59Å; Y114-F133 HydrophobicContact CE2-CB 4.05Å; R129-F133 WeakPolarHBondContact O-CB 3.43Å; R129-F133 PolarHBondContact O-N 2.95Å; F133-F135 PolarHBondContact O-N 3.24Å; F133-L136 PolarHBondContact O-N 3Å; F133-L137 HydrophobicContact CE1-CB 4.32Å; F133-L137 HydrophobicContact CE1-CD2 3.99Å; F133-L137 HydrophobicContact CZ-CD2 4.42Å; F133-L137 WeakPolarHBondContact O-CB 3.33Å; F133-L137 PolarHBondContact O-N 3.36Å; F133-A365 HydrophobicContact CE2-CB 4.09Å; F133-A365 HydrophobicContact CZ-CB 4.15Å; F133-V366 HydrophobicContact CE2-CG2 4.43Å; F133-V366 HydrophobicContact CZ-CG2 4.13Å; F133-L369 HydrophobicContact CD2-CB 3.99Å; F133-L369 HydrophobicContact CD2-CD1 4.26Å; F133-L369 HydrophobicContact CD2-CD2 3.68Å; F133-L369 HydrophobicContact CD2-CG 4.18Å; F133-L369 HydrophobicContact CE2-CB 4Å; F133-L369 HydrophobicContact CE2-CD2 3.82Å; F133-L369 HydrophobicContact CE2-CG 4.46Å |
| 134 | S | 93.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61 | -35.9 | 175.9 | -172.6 | 0 | 0 | 0 | 0 | 112 | H3 P7 S106 K130 I131 S138 | H3-S134 PolarHBondContact O-OG 3.27Å; H3-S134 VanDerWaalsContact O-OG 3.07Å; P7-S134 WeakPolarHBondContact CG-OG 3.27Å; S106-S134 WeakPolarHBondContact CB-O 3.22Å; S106-S134 PolarHBondContact O-OG 3.43Å; K130-S134 VanDerWaalsContact O-CB 3.25Å; K130-S134 WeakPolarHBondContact O-CB 3.31Å; K130-S134 PolarHBondContact O-N 3.35Å; I131-S134 PolarHBondContact O-N 3.34Å; S134-S138 WeakPolarHBondContact O-CB 3.33Å; S134-S138 PolarHBondContact O-N 3.26Å; S134-S138 VanDerWaalsContact O-N 3.11Å |
| 135 | F | 92.5 | Very high | 90.8 | Very high | 83 Ų | 83 | 36.6 Ų | 36.6 | 36% | 0.364 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -68.5 | -46.5 | 173.4 | 173.9 | -97.5 | 0 | 0 | 0 | 111.6 | L6 I10 I131 L132 F133 L137 S138 F139 | L6-F135 HydrophobicContact CD2-CD2 3.79Å; L6-F135 HydrophobicContact CG-CD2 4.25Å; I10-F135 HydrophobicContact CD1-CD2 3.57Å; I10-F135 HydrophobicContact CD1-CE2 3.45Å; I10-F135 VanDerWaalsContact CD1-CE2 3.45Å; I131-F135 WeakPolarHBondContact O-CB 3.41Å; I131-F135 PolarHBondContact O-N 3.16Å; L132-F135 WeakPolarHBondContact O-CB 3.16Å; L132-F135 PolarHBondContact O-N 2.95Å; F133-F135 PolarHBondContact O-N 3.24Å; F135-L137 PolarHBondContact O-N 3.45Å; F135-S138 WeakPolarHBondContact O-CB 3.49Å; F135-S138 PolarHBondContact O-N 3.32Å; F135-F139 WeakPolarHBondContact O-CB 3.38Å; F135-F139 PolarHBondContact O-N 2.79Å |
| 136 | L | 93.7 | Very high | 91.7 | Very high | 18 Ų | 18 | 33.7 Ų | 33.7 | 9% | 0.094 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.3 | -42.6 | 179 | -176.6 | 65.3 | 0 | 0 | 0 | 112.4 | L132 F133 F139 C140 M368 | L132-L136 WeakPolarHBondContact O-CB 3.42Å; L132-L136 PolarHBondContact O-N 3Å; F133-L136 PolarHBondContact O-N 3Å; L136-F139 WeakPolarHBondContact O-CB 3.45Å; L136-F139 PolarHBondContact O-N 3Å; L136-C140 PolarHBondContact O-N 3.12Å; L136-C140 PolarHBondContact O-SG 3.14Å; L136-M368 HydrophobicContact CD1-CE 3.69Å; L136-M368 HydrophobicContact CD1-SD 4.16Å; L136-M368 HydrophobicContact CD2-CB 3.95Å; L136-M368 HydrophobicContact CD2-CE 4.31Å; L136-M368 HydrophobicContact CG-CE 4Å |
| 137 | L | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.8 | -44 | 175.6 | 178.1 | 48.5 | 0 | 0 | 0 | 111.2 | V109 F133 F135 F139 C140 C141 S361 V362 A365 | V109-L137 HydrophobicContact CB-CD2 3.79Å; V109-L137 HydrophobicContact CG1-CD2 4.06Å; V109-L137 HydrophobicContact CG2-CD2 4.03Å; F133-L137 HydrophobicContact CE1-CB 4.32Å; F133-L137 HydrophobicContact CE1-CD2 3.99Å; F133-L137 HydrophobicContact CZ-CD2 4.42Å; F133-L137 WeakPolarHBondContact O-CB 3.33Å; F133-L137 PolarHBondContact O-N 3.36Å; F135-L137 PolarHBondContact O-N 3.45Å; L137-F139 PolarHBondContact O-N 3.11Å; L137-C140 WeakPolarHBondContact O-CB 3.39Å; L137-C140 PolarHBondContact O-N 2.89Å; L137-C140 VanDerWaalsContact O-N 3.09Å; L137-C141 PolarHBondContact O-N 3.1Å; L137-C141 PolarHBondContact O-SG 2.77Å; L137-S361 WeakPolarHBondContact CD1-O 3.48Å; L137-V362 HydrophobicContact CD1-CB 4.33Å; L137-V362 HydrophobicContact CD1-CG2 3.81Å; L137-V362 HydrophobicContact CD2-CG2 4.02Å; L137-A365 HydrophobicContact CB-CB 3.94Å; L137-A365 HydrophobicContact CD1-CB 3.85Å; L137-A365 HydrophobicContact CG-CB 4.43Å |
| 138 | S | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58 | -40.7 | 174 | -167.1 | 0 | 0 | 0 | 0 | 111.5 | P7 S106 S134 F135 C141 C142 | P7-S138 VanDerWaalsContact CA-OG 3.3Å; P7-S138 WeakPolarHBondContact CA-OG 3.44Å; P7-S138 WeakPolarHBondContact CB-OG 3.5Å; P7-S138 PolarHBondContact O-OG 2.68Å; S106-S138 WeakPolarHBondContact OG-CA 3.33Å; S106-S138 PolarHBondContact OG-N 3.47Å; S134-S138 WeakPolarHBondContact O-CB 3.33Å; S134-S138 PolarHBondContact O-N 3.26Å; S134-S138 VanDerWaalsContact O-N 3.11Å; F135-S138 WeakPolarHBondContact O-CB 3.49Å; F135-S138 PolarHBondContact O-N 3.32Å; S138-C141 PolarHBondContact O-N 3.5Å; S138-C142 WeakPolarHBondContact O-CB 3.45Å; S138-C142 PolarHBondContact O-N 3.24Å; S138-C142 PolarHBondContact O-SG 3.44Å |
| 139 | F | 95 | Very high | 93.5 | Very high | 27 Ų | 27 | 23 Ų | 23 | 12% | 0.118 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.8 | -48.8 | 173.8 | 172.8 | -86.3 | 0 | 0 | 0 | 111.1 | F135 L136 L137 C141 C142 I143 C396 I399 F400 | F135-F139 WeakPolarHBondContact O-CB 3.38Å; F135-F139 PolarHBondContact O-N 2.79Å; L136-F139 WeakPolarHBondContact O-CB 3.45Å; L136-F139 PolarHBondContact O-N 3Å; L137-F139 PolarHBondContact O-N 3.11Å; F139-C141 PolarHBondContact O-N 3.15Å; F139-C142 PolarHBondContact O-N 2.69Å; F139-C142 VanDerWaalsContact O-N 3.14Å; F139-I143 HydrophobicContact CD2-CB 4.26Å; F139-I143 HydrophobicContact CD2-CG1 3.55Å; F139-I143 HydrophobicContact CE1-CB 4.25Å; F139-I143 HydrophobicContact CE1-CG2 4.42Å; F139-I143 HydrophobicContact CE2-CB 3.99Å; F139-I143 HydrophobicContact CE2-CG1 3.53Å; F139-I143 HydrophobicContact CE2-CG2 4.06Å; F139-I143 HydrophobicContact CG-CG1 4.11Å; F139-I143 HydrophobicContact CZ-CB 3.95Å; F139-I143 HydrophobicContact CZ-CG1 4.04Å; F139-I143 HydrophobicContact CZ-CG2 3.81Å; F139-I143 VanDerWaalsContact O-CB 3.31Å; F139-I143 WeakPolarHBondContact O-CB 3.16Å; F139-I143 WeakPolarHBondContact O-CG1 3.18Å; F139-I143 PolarHBondContact O-N 3.38Å; F139-C396 HydrophobicContact CE1-CB 3.93Å; F139-C396 HydrophobicContact CZ-CB 3.87Å; F139-C396 WeakPolarHBondContact CZ-O 3.42Å; F139-I399 HydrophobicContact CE1-CG2 4.42Å; F139-F400 HydrophobicContact CE2-CB 4.27Å; F139-F400 HydrophobicContact CE2-CD2 4.49Å; F139-F400 HydrophobicContact CZ-CB 4.2Å |
| 140 | C | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.4 | -29.5 | 177.2 | -61.6 | 0 | 0 | 0 | 0 | 113.3 | L136 L137 N147 L286 S361 M368 | L136-C140 PolarHBondContact O-N 3.12Å; L136-C140 PolarHBondContact O-SG 3.14Å; L137-C140 WeakPolarHBondContact O-CB 3.39Å; L137-C140 PolarHBondContact O-N 2.89Å; L137-C140 VanDerWaalsContact O-N 3.09Å; C140-N147 PolarHBondContact O-ND2 3.22Å; C140-L286 HydrophobicContact CB-CD2 4.26Å; C140-L286 WeakPolarHBondContact O-CD1 3.32Å; C140-S361 PolarHBondContact O-OG 3.05Å; C140-M368 WeakPolarHBondContact SG-CE 3.03Å |
| 141 | C | 96.4 | Very high | 94.5 | Very high | 11 Ų | 11 | 17.7 Ų | 17.7 | 7% | 0.074 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -78.4 | -31 | 175.7 | -70.4 | 0 | 0 | 0 | 0 | 112.9 | V102 L137 S138 F139 N147 S361 | V102-C141 HydrophobicContact CB-CB 4.29Å; V102-C141 HydrophobicContact CG1-CB 3.53Å; V102-C141 HydrophobicContact CG2-CB 3.74Å; L137-C141 PolarHBondContact O-N 3.1Å; L137-C141 PolarHBondContact O-SG 2.77Å; S138-C141 PolarHBondContact O-N 3.5Å; F139-C141 PolarHBondContact O-N 3.15Å; C141-N147 WeakPolarHBondContact O-CB 3.12Å; C141-N147 VanDerWaalsContact O-CG 3.28Å; C141-N147 PolarHBondContact O-ND2 3.06Å; C141-S361 WeakPolarHBondContact SG-CB 3.42Å |
| 142 | C | 95.2 | Very high | 94.9 | Very high | 9 Ų | 9 | 15.1 Ų | 15.1 | 6% | 0.061 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -98 | -29.9 | -174 | -56 | 0 | 0 | 0 | 0 | 112.9 | I10 A11 T14 S138 F139 S144 | I10-C142 HydrophobicContact CG2-CB 4.23Å; A11-C142 VanDerWaalsContact CA-SG 3.58Å; T14-C142 HydrophobicContact CG2-CB 3.89Å; S138-C142 WeakPolarHBondContact O-CB 3.45Å; S138-C142 PolarHBondContact O-N 3.24Å; S138-C142 PolarHBondContact O-SG 3.44Å; F139-C142 PolarHBondContact O-N 2.69Å; F139-C142 VanDerWaalsContact O-N 3.14Å; C142-S144 PolarHBondContact O-N 2.93Å |
| 143 | I | 92.4 | Very high | 95.3 | Very high | 18 Ų | 18 | 10.7 Ų | 10.7 | 9% | 0.092 | 5% | 0.054 | C | C | . | . | S | Bend | trans | -99.6 | 68.4 | -173.8 | -53.2 | -53.1 | 0 | 0 | 0 | 109.7 | F139 I399 F400 T403 | F139-I143 HydrophobicContact CD2-CB 4.26Å; F139-I143 HydrophobicContact CD2-CG1 3.55Å; F139-I143 HydrophobicContact CE1-CB 4.25Å; F139-I143 HydrophobicContact CE1-CG2 4.42Å; F139-I143 HydrophobicContact CE2-CB 3.99Å; F139-I143 HydrophobicContact CE2-CG1 3.53Å; F139-I143 HydrophobicContact CE2-CG2 4.06Å; F139-I143 HydrophobicContact CG-CG1 4.11Å; F139-I143 HydrophobicContact CZ-CB 3.95Å; F139-I143 HydrophobicContact CZ-CG1 4.04Å; F139-I143 HydrophobicContact CZ-CG2 3.81Å; F139-I143 VanDerWaalsContact O-CB 3.31Å; F139-I143 WeakPolarHBondContact O-CB 3.16Å; F139-I143 WeakPolarHBondContact O-CG1 3.18Å; F139-I143 PolarHBondContact O-N 3.38Å; I143-I399 HydrophobicContact CG2-CG2 4.11Å; I143-F400 HydrophobicContact CD1-CD2 3.87Å; I143-F400 HydrophobicContact CD1-CE2 4.11Å; I143-F400 HydrophobicContact CG1-CD2 4.25Å; I143-F400 HydrophobicContact CG2-CB 4.06Å; I143-F400 HydrophobicContact CG2-CD2 3.99Å; I143-T403 HydrophobicContact CG2-CG2 4.04Å; I143-T403 PolarHBondContact O-OG1 2.93Å |
| 144 | S | 93.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -150.9 | 139 | 168.1 | 132.3 | 0 | 0 | 0 | 0 | 108.6 | C142 G146 N147 F148 N282 Q283 | C142-S144 PolarHBondContact O-N 2.93Å; S144-G146 VanDerWaalsContact C-N 3.31Å; S144-G146 PolarHBondContact O-N 2.96Å; S144-G146 PolarHBondContact OG-N 3.02Å; S144-N147 PolarHBondContact O-N 2.88Å; S144-N147 PolarHBondContact OG-N 3.48Å; S144-F148 PolarHBondContact O-N 2.87Å; S144-N282 WeakPolarHBondContact CB-O 3.35Å; S144-N282 PolarHBondContact OG-O 3.5Å; S144-Q283 VanDerWaalsContact OG-CD 3.32Å; S144-Q283 PolarHBondContact OG-NE2 3.36Å; S144-Q283 VanDerWaalsContact OG-NE2 3.13Å; S144-Q283 PolarHBondContact OG-OE1 2.82Å |
| 145 | P | 94.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 10.7 Ų | 10.7 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -58.3 | -42 | 174 | -25.4 | 35.1 | 0 | 0 | 0 | 112.4 | N147 F148 L149 N282 T403 R406 I407 | P145-N147 PolarHBondContact O-N 3.01Å; P145-F148 WeakPolarHBondContact O-CB 3.36Å; P145-F148 PolarHBondContact O-N 2.85Å; P145-L149 VanDerWaalsContact O-CG 3.31Å; P145-L149 WeakPolarHBondContact O-CG 3.39Å; P145-L149 PolarHBondContact O-N 2.84Å; P145-N282 VanDerWaalsContact CD-O 3.3Å; P145-N282 WeakPolarHBondContact CD-O 3.1Å; P145-T403 HydrophobicContact CG-CG2 4.21Å; P145-R406 HydrophobicContact CB-CB 4.38Å; P145-R406 HydrophobicContact CB-CG 3.77Å; P145-R406 HydrophobicContact CG-CB 3.74Å; P145-R406 HydrophobicContact CG-CG 3.59Å; P145-I407 HydrophobicContact CB-CG1 4.3Å |
| 146 | G | 95.4 | Very high | 96 | Very high | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -63.6 | -38.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S144 L149 S150 N282 | S144-G146 VanDerWaalsContact C-N 3.31Å; S144-G146 PolarHBondContact O-N 2.96Å; S144-G146 PolarHBondContact OG-N 3.02Å; G146-L149 PolarHBondContact O-N 2.92Å; G146-S150 VanDerWaalsContact O-CB 3.28Å; G146-S150 WeakPolarHBondContact O-CB 3.49Å; G146-S150 PolarHBondContact O-N 3.29Å; G146-S150 PolarHBondContact O-OG 2.9Å; G146-N282 PolarHBondContact N-O 3.17Å |
| 147 | N | 96.2 | Very high | 96.2 | Very high | 18 Ų | 18 | 6.5 Ų | 6.5 | 10% | 0.096 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -69.1 | -38.2 | 175 | -69.9 | -18.3 | 0 | 0 | 0 | 111.7 | C140 C141 S144 P145 S150 S151 Q283 Y357 S361 | C140-N147 PolarHBondContact O-ND2 3.22Å; C141-N147 WeakPolarHBondContact O-CB 3.12Å; C141-N147 VanDerWaalsContact O-CG 3.28Å; C141-N147 PolarHBondContact O-ND2 3.06Å; S144-N147 PolarHBondContact O-N 2.88Å; S144-N147 PolarHBondContact OG-N 3.48Å; P145-N147 PolarHBondContact O-N 3.01Å; N147-S150 WeakPolarHBondContact CA-OG 3.19Å; N147-S150 PolarHBondContact O-OG 2.88Å; N147-S151 VanDerWaalsContact O-CB 3.28Å; N147-S151 WeakPolarHBondContact O-CB 3.43Å; N147-S151 PolarHBondContact O-N 3.48Å; N147-S151 PolarHBondContact O-OG 3.28Å; N147-Q283 PolarHBondContact OD1-NE2 2.66Å; N147-Y357 VanDerWaalsContact OD1-CB 3.25Å; N147-Y357 WeakPolarHBondContact OD1-CB 3.28Å; N147-Y357 WeakPolarHBondContact OD1-CD2 3.43Å; N147-S361 PolarHBondContact ND2-OG 3.35Å |
| 148 | F | 96.6 | Very high | 96.2 | Very high | 11 Ų | 11 | 6.6 Ų | 6.6 | 5% | 0.048 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -58.4 | -48.2 | 173 | 175.5 | -95.8 | 0 | 0 | 0 | 111.8 | F17 S18 N22 S144 P145 S151 I407 I411 | F17-F148 HydrophobicContact CB-CE2 4.24Å; F17-F148 HydrophobicContact CD1-CD2 4.5Å; F17-F148 AromaticContact CD1-CE2 3.46Å; F17-F148 HydrophobicContact CD1-CE2 3.46Å; F17-F148 VanDerWaalsContact CD1-CE2 3.46Å; F17-F148 AromaticContact CD1-CZ 3.79Å; F17-F148 HydrophobicContact CD1-CZ 3.79Å; F17-F148 HydrophobicContact CE1-CE2 4.26Å; F17-F148 HydrophobicContact CE1-CZ 4.21Å; F17-F148 HydrophobicContact CG-CE2 4.25Å; S18-F148 VanDerWaalsContact CA-CZ 3.41Å; S18-F148 VanDerWaalsContact CB-CE2 3.45Å; S18-F148 WeakPolarHBondContact CB-O 3.41Å; S18-F148 VanDerWaalsContact N-CE2 3.27Å; S18-F148 PolarHBondContact OG-O 2.87Å; N22-F148 HydrophobicContact CB-CE1 4.35Å; S144-F148 PolarHBondContact O-N 2.87Å; P145-F148 WeakPolarHBondContact O-CB 3.36Å; P145-F148 PolarHBondContact O-N 2.85Å; F148-S151 PolarHBondContact O-OG 2.91Å; F148-I407 HydrophobicContact CB-CD1 3.67Å; F148-I407 HydrophobicContact CB-CG1 4.23Å; F148-I407 HydrophobicContact CD1-CD1 4.11Å; F148-I407 HydrophobicContact CD1-CG1 3.99Å; F148-I407 HydrophobicContact CD1-CG2 3.98Å; F148-I407 HydrophobicContact CD2-CD1 4Å; F148-I407 HydrophobicContact CE1-CG2 3.7Å; F148-I407 HydrophobicContact CE2-CG2 4.29Å; F148-I407 HydrophobicContact CG-CD1 3.65Å; F148-I407 HydrophobicContact CG-CG1 4.06Å; F148-I407 HydrophobicContact CG-CG2 4.38Å; F148-I407 HydrophobicContact CZ-CG2 3.85Å; F148-I411 HydrophobicContact CZ-CD1 4.43Å |
| 149 | L | 95.8 | Very high | 96.3 | Very high | 4 Ų | 4 | 6.7 Ų | 6.7 | 2% | 0.021 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -63.6 | -57.8 | 177.1 | -63.6 | 174.4 | 0 | 0 | 0 | 111.1 | N22 P145 G146 S151 T152 T153 L410 | N22-L149 PolarHBondContact ND2-O 3.35Å; N22-L149 VanDerWaalsContact ND2-O 3.11Å; N22-L149 WeakPolarHBondContact OD1-CD2 3.47Å; P145-L149 VanDerWaalsContact O-CG 3.31Å; P145-L149 WeakPolarHBondContact O-CG 3.39Å; P145-L149 PolarHBondContact O-N 2.84Å; G146-L149 PolarHBondContact O-N 2.92Å; L149-S151 PolarHBondContact O-N 3.11Å; L149-S151 VanDerWaalsContact O-N 3.1Å; L149-T152 PolarHBondContact O-N 3.12Å; L149-T153 PolarHBondContact O-N 3.47Å; L149-T153 PolarHBondContact O-OG1 3.23Å; L149-L410 HydrophobicContact CD1-CD1 4.33Å; L149-L410 HydrophobicContact CD2-CD1 4.49Å |
| 150 | S | 97 | Very high | 96.5 | Very high | 8 Ų | 8 | 5.4 Ų | 5.4 | 6% | 0.056 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -62 | -23.2 | -174.2 | 59.8 | 0 | 0 | 0 | 0 | 114.7 | G146 N147 T152 G158 F354 | G146-S150 VanDerWaalsContact O-CB 3.28Å; G146-S150 WeakPolarHBondContact O-CB 3.49Å; G146-S150 PolarHBondContact O-N 3.29Å; G146-S150 PolarHBondContact O-OG 2.9Å; N147-S150 WeakPolarHBondContact CA-OG 3.19Å; N147-S150 PolarHBondContact O-OG 2.88Å; S150-T152 VanDerWaalsContact C-N 3.29Å; S150-T152 PolarHBondContact O-N 3.06Å; S150-G158 WeakPolarHBondContact O-CA 3.22Å; S150-F354 VanDerWaalsContact CB-CD2 3.46Å |
| 151 | S | 97.6 | Very high | 96.6 | Very high | 4 Ų | 4 | 5.8 Ų | 5.8 | 3% | 0.028 | 4% | 0.035 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -26.6 | -179.4 | 67 | 0 | 0 | 0 | 0 | 114.7 | S18 L94 G95 N147 F148 L149 | S18-S151 PolarHBondContact OG-OG 3.18Å; L94-S151 CarbonylContact C-O 3.53Å; L94-S151 VanDerWaalsContact C-O 3.28Å; G95-S151 PolarHBondContact N-O 2.78Å; N147-S151 VanDerWaalsContact O-CB 3.28Å; N147-S151 WeakPolarHBondContact O-CB 3.43Å; N147-S151 PolarHBondContact O-N 3.48Å; N147-S151 PolarHBondContact O-OG 3.28Å; F148-S151 PolarHBondContact O-OG 2.91Å; L149-S151 PolarHBondContact O-N 3.11Å; L149-S151 VanDerWaalsContact O-N 3.1Å |
| 152 | T | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.2 | 0.2 | -177 | 65.5 | 0 | 0 | 0 | 0 | 114.1 | S18 V19 N22 L149 S150 | S18-T152 WeakPolarHBondContact OG-CG2 3.33Å; S18-T152 PolarHBondContact OG-OG1 2.72Å; V19-T152 HydrophobicContact CG2-CG2 3.79Å; N22-T152 PolarHBondContact ND2-OG1 2.74Å; L149-T152 PolarHBondContact O-N 3.12Å; S150-T152 VanDerWaalsContact C-N 3.29Å; S150-T152 PolarHBondContact O-N 3.06Å |
| 153 | T | 97.5 | Very high | 96.9 | Very high | 8 Ų | 8 | 5.8 Ų | 5.8 | 5% | 0.049 | 3% | 0.034 | C | C | . | . | trans | -64.8 | 130.7 | 172 | -77.2 | 0 | 0 | 0 | 0 | 111 | E29 L94 L149 L155 F354 | E29-T153 HydrophobicContact CG-CG2 4.46Å; L94-T153 WeakPolarHBondContact CD1-O 3.2Å; L149-T153 PolarHBondContact O-N 3.47Å; L149-T153 PolarHBondContact O-OG1 3.23Å; T153-L155 VanDerWaalsContact C-N 3.32Å; T153-L155 HydrophobicContact CG2-CB 3.65Å; T153-L155 HydrophobicContact CG2-CD1 3.41Å; T153-L155 VanDerWaalsContact CG2-CD1 3.41Å; T153-L155 HydrophobicContact CG2-CG 4.06Å; T153-L155 PolarHBondContact O-N 3.05Å; T153-F354 HydrophobicContact CG2-CE2 4.25Å | ||
| 154 | F | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.031 | C | C | . | . | trans | -84.7 | -1.7 | -178.2 | -167.3 | -138.1 | 0 | 0 | 0 | 114.2 | E29 Y33 W34 L37 Y65 L66 F69 V90 L94 | E29-F154 HydrophobicContact CG-CB 4.21Å; E29-F154 PolarHBondContact OE1-N 3.35Å; Y33-F154 HydrophobicContact CG-CD1 4.49Å; W34-F154 HydrophobicContact CD2-CB 4.38Å; W34-F154 AromaticContact CD2-CD1 3.88Å; W34-F154 HydrophobicContact CD2-CD1 3.88Å; W34-F154 HydrophobicContact CD2-CG 4.5Å; W34-F154 AromaticContact CE3-CD1 3.92Å; W34-F154 HydrophobicContact CE3-CD1 3.92Å; W34-F154 HydrophobicContact CE3-CE1 4.39Å; W34-F154 HydrophobicContact CG-CD1 4.41Å; W34-F154 HydrophobicContact CH2-CB 4.02Å; W34-F154 HydrophobicContact CH2-CD1 4.27Å; W34-F154 HydrophobicContact CH2-CG 4.16Å; W34-F154 HydrophobicContact CZ2-CB 3.46Å; W34-F154 VanDerWaalsContact CZ2-CB 3.46Å; W34-F154 HydrophobicContact CZ2-CD1 4.25Å; W34-F154 HydrophobicContact CZ2-CG 4.06Å; W34-F154 HydrophobicContact CZ3-CD1 4.11Å; W34-F154 HydrophobicContact CZ3-CG 4.43Å; L37-F154 HydrophobicContact CB-CE1 4.05Å; L37-F154 HydrophobicContact CD2-CE1 3.67Å; L37-F154 HydrophobicContact CD2-CZ 3.75Å; L37-F154 HydrophobicContact CG-CE1 4.44Å; Y65-F154 HydrophobicContact CE1-CD2 4.42Å; Y65-F154 HydrophobicContact CE1-CE2 4.11Å; Y65-F154 HydrophobicContact CE1-CZ 4.28Å; Y65-F154 PolarHBondContact OH-O 2.98Å; L66-F154 HydrophobicContact CD2-CE1 4.07Å; L66-F154 HydrophobicContact CD2-CZ 4.12Å; F69-F154 HydrophobicContact CB-CD2 4.35Å; F69-F154 HydrophobicContact CB-CE2 3.59Å; V90-F154 HydrophobicContact CG1-CD2 3.77Å; V90-F154 HydrophobicContact CG1-CE2 3.79Å; V90-F154 HydrophobicContact CG1-CG 4.31Å; V90-F154 HydrophobicContact CG1-CZ 4.39Å; L94-F154 HydrophobicContact CD1-CB 4.35Å; L94-F154 HydrophobicContact CD1-CD2 4.11Å | ||
| 155 | L | 96.9 | Very high | 97.4 | Very high | 6 Ų | 6 | 5.3 Ų | 5.3 | 3% | 0.031 | 3% | 0.033 | C | C | . | . | S | Bend | trans | -65.8 | 145.9 | 168.2 | -73 | 125.6 | 0 | 0 | 0 | 111.2 | D26 D28 E29 Y33 T153 S157 G158 P159 | D26-L155 HydrophobicContact CB-CD1 3.85Å; D28-L155 HydrophobicContact CB-CD2 4.05Å; E29-L155 HydrophobicContact CB-CD1 3.46Å; E29-L155 VanDerWaalsContact CB-CD1 3.46Å; E29-L155 HydrophobicContact CB-CG 3.84Å; E29-L155 HydrophobicContact CG-CD1 3.61Å; E29-L155 HydrophobicContact CG-CG 3.86Å; Y33-L155 HydrophobicContact CD2-CG 4.42Å; Y33-L155 HydrophobicContact CE2-CD2 4.15Å; Y33-L155 HydrophobicContact CE2-CG 4.4Å; T153-L155 VanDerWaalsContact C-N 3.32Å; T153-L155 HydrophobicContact CG2-CB 3.65Å; T153-L155 HydrophobicContact CG2-CD1 3.41Å; T153-L155 VanDerWaalsContact CG2-CD1 3.41Å; T153-L155 HydrophobicContact CG2-CG 4.06Å; T153-L155 PolarHBondContact O-N 3.05Å; L155-S157 PolarHBondContact O-N 3.43Å; L155-G158 PolarHBondContact O-N 2.84Å; L155-P159 WeakPolarHBondContact O-CD 3.25Å |
| 156 | P | 97.8 | Very high | 97.6 | Very high | 7 Ų | 7 | 6.2 Ų | 6.2 | 5% | 0.045 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -28.8 | -178.8 | -31.6 | 36 | 0 | 0 | 0 | 115.8 | Y33 Y65 G158 S160 V190 W191 | Y33-P156 HydrophobicContact CE1-CG 3.69Å; Y33-P156 HydrophobicContact CE2-CG 4.36Å; Y33-P156 VanDerWaalsContact CZ-CG 3.49Å; Y33-P156 WeakPolarHBondContact OH-CD 3.24Å; Y33-P156 WeakPolarHBondContact OH-CG 3.38Å; Y65-P156 HydrophobicContact CE2-CB 4.38Å; Y65-P156 HydrophobicContact CE2-CG 4.24Å; P156-G158 PolarHBondContact O-N 3.1Å; P156-S160 VanDerWaalsContact O-CB 3.25Å; P156-S160 WeakPolarHBondContact O-CB 3.48Å; P156-S160 PolarHBondContact O-N 3.15Å; P156-S160 PolarHBondContact O-OG 3.48Å; P156-V190 HydrophobicContact CB-CG1 3.72Å; P156-V190 VanDerWaalsContact CB-O 3.3Å; P156-V190 WeakPolarHBondContact CB-O 3.16Å; P156-V190 WeakPolarHBondContact O-CG1 3.37Å; P156-W191 HydrophobicContact CB-CB 3.87Å; P156-W191 HydrophobicContact CB-CG 4.39Å |
| 157 | S | 97.5 | Very high | 97.8 | Very high | 5 Ų | 5 | 6.3 Ų | 6.3 | 4% | 0.035 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -65.1 | -28.6 | 177.6 | 61.9 | 0 | 0 | 0 | 0 | 112.8 | L155 A161 R351 F354 | L155-S157 PolarHBondContact O-N 3.43Å; S157-A161 PolarHBondContact O-N 2.74Å; S157-R351 WeakPolarHBondContact CB-O 3.2Å; S157-R351 PolarHBondContact OG-O 3.06Å; S157-F354 WeakPolarHBondContact O-CB 3.5Å; S157-F354 WeakPolarHBondContact OG-CD2 3.39Å |
| 158 | G | 97.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 5.7 Ų | 5.7 | 2% | 0.021 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -65.1 | -63.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S150 L155 P156 S160 A161 | S150-G158 WeakPolarHBondContact O-CA 3.22Å; L155-G158 PolarHBondContact O-N 2.84Å; P156-G158 PolarHBondContact O-N 3.1Å; G158-S160 PolarHBondContact O-N 2.92Å; G158-A161 VanDerWaalsContact O-CB 3.32Å; G158-A161 WeakPolarHBondContact O-CB 3.36Å; G158-A161 PolarHBondContact O-N 3.47Å |
| 159 | P | 98.3 | Very high | 97.9 | Very high | 2 Ų | 2 | 5.2 Ų | 5.2 | 1% | 0.013 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -57.9 | -32.4 | 174.2 | -24.4 | 34 | 0 | 0 | 0 | 113.3 | F69 L94 L155 A161 S162 L163 V190 | F69-P159 HydrophobicContact CD1-CB 4.34Å; F69-P159 HydrophobicContact CD1-CG 4.25Å; F69-P159 HydrophobicContact CE1-CB 3.64Å; F69-P159 HydrophobicContact CE1-CG 4.04Å; F69-P159 HydrophobicContact CE2-CB 4.43Å; F69-P159 HydrophobicContact CZ-CB 3.68Å; F69-P159 HydrophobicContact CZ-CG 4.27Å; L94-P159 HydrophobicContact CD2-CG 3.81Å; L155-P159 WeakPolarHBondContact O-CD 3.25Å; P159-A161 VanDerWaalsContact C-N 3.27Å; P159-A161 PolarHBondContact O-N 2.82Å; P159-S162 PolarHBondContact O-N 3.26Å; P159-S162 VanDerWaalsContact O-N 3.08Å; P159-L163 WeakPolarHBondContact O-CG 3.32Å; P159-L163 PolarHBondContact O-N 3.15Å; P159-V190 HydrophobicContact CB-CG1 4.34Å |
| 160 | S | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -57.3 | -39.2 | 173.8 | -65.6 | 0 | 0 | 0 | 0 | 112.1 | P156 G158 S162 L163 T164 V190 | P156-S160 VanDerWaalsContact O-CB 3.25Å; P156-S160 WeakPolarHBondContact O-CB 3.48Å; P156-S160 PolarHBondContact O-N 3.15Å; P156-S160 PolarHBondContact O-OG 3.48Å; G158-S160 PolarHBondContact O-N 2.92Å; S160-S162 VanDerWaalsContact C-N 3.32Å; S160-S162 PolarHBondContact O-N 3.1Å; S160-L163 PolarHBondContact O-N 2.94Å; S160-T164 WeakPolarHBondContact O-CB 3.29Å; S160-T164 WeakPolarHBondContact O-CG2 3.45Å; S160-T164 PolarHBondContact O-N 3.39Å; S160-T164 PolarHBondContact O-OG1 3.25Å; S160-T164 VanDerWaalsContact O-OG1 3.12Å; S160-V190 VanDerWaalsContact OG-CG1 3.24Å; S160-V190 WeakPolarHBondContact OG-CG1 3.39Å |
| 161 | A | 98.4 | Very high | 98.1 | Very high | 8 Ų | 8 | 6.7 Ų | 6.7 | 7% | 0.066 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -62 | -39.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S157 G158 P159 T164 A165 F354 P358 | S157-A161 PolarHBondContact O-N 2.74Å; G158-A161 VanDerWaalsContact O-CB 3.32Å; G158-A161 WeakPolarHBondContact O-CB 3.36Å; G158-A161 PolarHBondContact O-N 3.47Å; P159-A161 VanDerWaalsContact C-N 3.27Å; P159-A161 PolarHBondContact O-N 2.82Å; A161-T164 PolarHBondContact O-OG1 3.32Å; A161-T164 VanDerWaalsContact O-OG1 3.07Å; A161-A165 WeakPolarHBondContact O-CB 3.35Å; A161-A165 PolarHBondContact O-N 3.47Å; A161-A165 VanDerWaalsContact O-N 3.16Å; A161-F354 VanDerWaalsContact CB-O 3.27Å; A161-F354 WeakPolarHBondContact CB-O 3.46Å; A161-P358 HydrophobicContact CB-CG 4.5Å; A161-P358 WeakPolarHBondContact O-CG 3.18Å |
| 162 | S | 98.6 | Very high | 98 | Very high | 6 Ų | 6 | 7.1 Ų | 7.1 | 4% | 0.042 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -69.3 | -39.5 | 176.5 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | S98 S101 P159 S160 A165 L166 | S98-S162 WeakPolarHBondContact CA-OG 3.3Å; S101-S162 WeakPolarHBondContact CB-O 3.42Å; P159-S162 PolarHBondContact O-N 3.26Å; P159-S162 VanDerWaalsContact O-N 3.08Å; S160-S162 VanDerWaalsContact C-N 3.32Å; S160-S162 PolarHBondContact O-N 3.1Å; S162-A165 WeakPolarHBondContact O-CB 3.36Å; S162-A165 PolarHBondContact O-N 2.9Å; S162-L166 WeakPolarHBondContact O-CG 3.23Å; S162-L166 PolarHBondContact O-N 3.45Å |
| 163 | L | 98.7 | Very high | 97.8 | Very high | 15 Ų | 15 | 12 Ų | 12 | 8% | 0.079 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -71 | -35.7 | 179.1 | -70.2 | 166.6 | 0 | 0 | 0 | 113 | P159 S160 L166 M167 F185 T186 V190 | P159-L163 WeakPolarHBondContact O-CG 3.32Å; P159-L163 PolarHBondContact O-N 3.15Å; S160-L163 PolarHBondContact O-N 2.94Å; L163-L166 PolarHBondContact O-N 3.3Å; L163-M167 WeakPolarHBondContact O-CB 3.5Å; L163-M167 PolarHBondContact O-N 3.06Å; L163-F185 HydrophobicContact CD1-CD1 3.71Å; L163-F185 HydrophobicContact CD1-CE1 4.21Å; L163-F185 HydrophobicContact CD2-CD1 4.22Å; L163-T186 VanDerWaalsContact CB-OG1 3.25Å; L163-T186 WeakPolarHBondContact CB-OG1 3.43Å; L163-T186 WeakPolarHBondContact CD1-OG1 3.05Å; L163-V190 HydrophobicContact CD1-CG2 3.71Å |
| 164 | T | 98.5 | Very high | 97.7 | Very high | 5 Ų | 5 | 16.4 Ų | 16.4 | 3% | 0.031 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -70.5 | -34.6 | 174.8 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | S160 A161 M167 L168 L197 P355 | S160-T164 WeakPolarHBondContact O-CB 3.29Å; S160-T164 WeakPolarHBondContact O-CG2 3.45Å; S160-T164 PolarHBondContact O-N 3.39Å; S160-T164 PolarHBondContact O-OG1 3.25Å; S160-T164 VanDerWaalsContact O-OG1 3.12Å; A161-T164 PolarHBondContact O-OG1 3.32Å; A161-T164 VanDerWaalsContact O-OG1 3.07Å; T164-M167 WeakPolarHBondContact O-CB 3.45Å; T164-M167 PolarHBondContact O-N 3.2Å; T164-L168 PolarHBondContact O-N 3Å; T164-L168 VanDerWaalsContact O-N 3.08Å; T164-L197 HydrophobicContact CG2-CB 4.16Å; T164-L197 HydrophobicContact CG2-CD1 3.63Å; T164-P355 HydrophobicContact CG2-CB 4.46Å; T164-P355 PolarHBondContact OG1-O 3.38Å |
| 165 | A | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 19 Ų | 19 | 3% | 0.025 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.1 | -46.7 | 169 | 0 | 0 | 0 | 0 | 0 | 111.8 | L105 A161 S162 L168 V169 P358 | L105-A165 HydrophobicContact CD2-CB 4.09Å; A161-A165 WeakPolarHBondContact O-CB 3.35Å; A161-A165 PolarHBondContact O-N 3.47Å; A161-A165 VanDerWaalsContact O-N 3.16Å; S162-A165 WeakPolarHBondContact O-CB 3.36Å; S162-A165 PolarHBondContact O-N 2.9Å; A165-L168 PolarHBondContact O-N 3.28Å; A165-V169 WeakPolarHBondContact O-CG2 3.41Å; A165-V169 PolarHBondContact O-N 3.23Å; A165-P358 HydrophobicContact CB-CB 3.87Å; A165-P358 HydrophobicContact CB-CG 3.86Å |
| 166 | L | 98.8 | Very high | 97.7 | Very high | 18 Ų | 18 | 19.5 Ų | 19.5 | 9% | 0.094 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65 | -39.1 | 176.4 | -72.2 | 174 | 0 | 0 | 0 | 112.6 | L97 L104 S162 L163 L168 V169 F170 | L97-L166 HydrophobicContact CD1-CD1 4.08Å; L104-L166 HydrophobicContact CD1-CD2 3.83Å; S162-L166 WeakPolarHBondContact O-CG 3.23Å; S162-L166 PolarHBondContact O-N 3.45Å; L163-L166 PolarHBondContact O-N 3.3Å; L166-L168 VanDerWaalsContact C-N 3.27Å; L166-L168 PolarHBondContact O-N 3.07Å; L166-V169 WeakPolarHBondContact O-CB 3.39Å; L166-V169 PolarHBondContact O-N 2.91Å; L166-F170 HydrophobicContact CB-CD2 4.35Å; L166-F170 HydrophobicContact CB-CE2 4.01Å; L166-F170 HydrophobicContact CD2-CE2 4.38Å; L166-F170 WeakPolarHBondContact O-CD2 3.4Å; L166-F170 WeakPolarHBondContact O-CG 3.5Å; L166-F170 PolarHBondContact O-N 3.15Å |
| 167 | M | 98.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 2% | 0.015 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -54.7 | -47.3 | 172.5 | 176.7 | -130.1 | 60.1 | 0 | 0 | 110.4 | L163 T164 V169 F170 W171 C182 V183 L201 F359 | L163-M167 WeakPolarHBondContact O-CB 3.5Å; L163-M167 PolarHBondContact O-N 3.06Å; T164-M167 WeakPolarHBondContact O-CB 3.45Å; T164-M167 PolarHBondContact O-N 3.2Å; M167-V169 PolarHBondContact O-N 3.14Å; M167-F170 PolarHBondContact O-N 3.1Å; M167-W171 HydrophobicContact CE-CE3 4Å; M167-W171 HydrophobicContact CE-CZ3 4.45Å; M167-W171 VanDerWaalsContact O-CB 3.25Å; M167-W171 WeakPolarHBondContact O-CB 3.14Å; M167-W171 PolarHBondContact O-N 3.41Å; M167-C182 HydrophobicContact CB-CB 3.78Å; M167-V183 HydrophobicContact CG-CG2 3.72Å; M167-V183 HydrophobicContact SD-CG2 3.98Å; M167-L201 HydrophobicContact CG-CD2 4.03Å; M167-L201 HydrophobicContact SD-CB 4.45Å; M167-L201 HydrophobicContact SD-CD2 4.36Å; M167-F359 HydrophobicContact CE-CE1 4.36Å; M167-F359 HydrophobicContact CE-CZ 3.99Å |
| 168 | L | 98.4 | Very high | 97.8 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.8 | -39.5 | 179.3 | -176.7 | 56.7 | 0 | 0 | 0 | 111.6 | L105 T164 A165 L166 W171 L172 I330 F359 V362 | L105-L168 HydrophobicContact CD1-CB 4.22Å; L105-L168 HydrophobicContact CD1-CD2 3.84Å; L105-L168 HydrophobicContact CD1-CG 4.04Å; T164-L168 PolarHBondContact O-N 3Å; T164-L168 VanDerWaalsContact O-N 3.08Å; A165-L168 PolarHBondContact O-N 3.28Å; L166-L168 VanDerWaalsContact C-N 3.27Å; L166-L168 PolarHBondContact O-N 3.07Å; L168-W171 HydrophobicContact CD1-CE3 4.2Å; L168-W171 PolarHBondContact O-N 3.31Å; L168-L172 HydrophobicContact CD1-CD1 4.14Å; L168-L172 HydrophobicContact CD1-CG 4.06Å; L168-L172 HydrophobicContact CG-CD1 4.18Å; L168-L172 WeakPolarHBondContact O-CB 3.3Å; L168-L172 VanDerWaalsContact O-CG 3.28Å; L168-L172 WeakPolarHBondContact O-CG 3.32Å; L168-L172 PolarHBondContact O-N 3.44Å; L168-I330 HydrophobicContact CD1-CG2 3.81Å; L168-F359 HydrophobicContact CD2-CD1 4.34Å; L168-F359 HydrophobicContact CD2-CE1 4.2Å; L168-V362 HydrophobicContact CD2-CG2 4.41Å |
| 169 | V | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -55.4 | -54.6 | 172.6 | 166.7 | 0 | 0 | 0 | 0 | 111.4 | L104 L105 T108 A165 L166 M167 W171 L172 K173 | L104-V169 VanDerWaalsContact C-CG2 3.49Å; L104-V169 HydrophobicContact CB-CG1 4.09Å; L104-V169 HydrophobicContact CB-CG2 3.9Å; L105-V169 HydrophobicContact CB-CG2 3.92Å; L105-V169 HydrophobicContact CD1-CG2 4.18Å; L105-V169 VanDerWaalsContact N-CG2 3.3Å; T108-V169 HydrophobicContact CG2-CG1 4.46Å; A165-V169 WeakPolarHBondContact O-CG2 3.41Å; A165-V169 PolarHBondContact O-N 3.23Å; L166-V169 WeakPolarHBondContact O-CB 3.39Å; L166-V169 PolarHBondContact O-N 2.91Å; M167-V169 PolarHBondContact O-N 3.14Å; V169-W171 VanDerWaalsContact C-N 3.33Å; V169-W171 PolarHBondContact O-N 3.45Å; V169-L172 PolarHBondContact O-N 2.95Å; V169-K173 HydrophobicContact CG1-CD 4.3Å; V169-K173 WeakPolarHBondContact O-CG 3.41Å; V169-K173 PolarHBondContact O-N 3.27Å |
| 170 | F | 98.6 | Very high | 97.9 | Very high | 38 Ų | 38 | 26.9 Ų | 26.9 | 17% | 0.167 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.7 | -32.9 | -174.9 | -64.2 | -51.7 | 0 | 0 | 0 | 112 | L166 M167 K173 R174 C175 L178 A179 | L166-F170 HydrophobicContact CB-CD2 4.35Å; L166-F170 HydrophobicContact CB-CE2 4.01Å; L166-F170 HydrophobicContact CD2-CE2 4.38Å; L166-F170 WeakPolarHBondContact O-CD2 3.4Å; L166-F170 WeakPolarHBondContact O-CG 3.5Å; L166-F170 PolarHBondContact O-N 3.15Å; M167-F170 PolarHBondContact O-N 3.1Å; F170-K173 PolarHBondContact O-N 3.43Å; F170-R174 PolarHBondContact O-N 3.39Å; F170-R174 VanDerWaalsContact O-N 3.14Å; F170-C175 HydrophobicContact CB-CB 4.17Å; F170-C175 HydrophobicContact CD1-CB 4.23Å; F170-C175 PolarHBondContact O-N 2.99Å; F170-L178 HydrophobicContact CB-CB 3.96Å; F170-L178 HydrophobicContact CD1-CB 3.81Å; F170-L178 HydrophobicContact CD1-CD1 3.7Å; F170-L178 HydrophobicContact CD1-CG 4.41Å; F170-L178 HydrophobicContact CD2-CB 3.53Å; F170-L178 HydrophobicContact CE1-CB 4.16Å; F170-L178 HydrophobicContact CE1-CD1 3.45Å; F170-L178 VanDerWaalsContact CE1-CD1 3.45Å; F170-L178 HydrophobicContact CE1-CG 4.44Å; F170-L178 HydrophobicContact CE2-CB 3.89Å; F170-L178 HydrophobicContact CE2-CD1 4.35Å; F170-L178 HydrophobicContact CG-CB 3.49Å; F170-L178 VanDerWaalsContact CG-CB 3.49Å; F170-L178 HydrophobicContact CG-CD1 4.28Å; F170-L178 HydrophobicContact CZ-CB 4.2Å; F170-L178 HydrophobicContact CZ-CD1 3.81Å; F170-A179 HydrophobicContact CB-CB 3.81Å |
| 171 | W | 97.4 | Very high | 97.9 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 2% | 0.019 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.4 | -52.9 | 171.7 | 178.5 | 6.4 | 0 | 0 | 0 | 111 | M167 L168 V169 K173 R174 A179 P200 L201 Y204 I330 | M167-W171 HydrophobicContact CE-CE3 4Å; M167-W171 HydrophobicContact CE-CZ3 4.45Å; M167-W171 VanDerWaalsContact O-CB 3.25Å; M167-W171 WeakPolarHBondContact O-CB 3.14Å; M167-W171 PolarHBondContact O-N 3.41Å; L168-W171 HydrophobicContact CD1-CE3 4.2Å; L168-W171 PolarHBondContact O-N 3.31Å; V169-W171 VanDerWaalsContact C-N 3.33Å; V169-W171 PolarHBondContact O-N 3.45Å; W171-K173 PolarHBondContact O-N 2.76Å; W171-R174 WeakPolarHBondContact O-CA 3.29Å; W171-R174 PolarHBondContact O-N 3.01Å; W171-A179 HydrophobicContact CB-CB 4.32Å; W171-P200 VanDerWaalsContact CH2-C 3.42Å; W171-P200 HydrophobicContact CH2-CB 3.74Å; W171-P200 WeakPolarHBondContact CH2-O 3.32Å; W171-P200 HydrophobicContact CZ3-CB 4.01Å; W171-L201 HydrophobicContact CB-CD1 4.02Å; W171-L201 HydrophobicContact CD2-CB 4.1Å; W171-L201 HydrophobicContact CD2-CD1 3.68Å; W171-L201 HydrophobicContact CD2-CG 4.47Å; W171-L201 HydrophobicContact CE3-CB 3.77Å; W171-L201 HydrophobicContact CE3-CD1 4.21Å; W171-L201 HydrophobicContact CG-CD1 3.55Å; W171-L201 HydrophobicContact CH2-CB 4.37Å; W171-L201 HydrophobicContact CZ3-CB 3.91Å; W171-Y204 AromaticContact CE2-CD1 3.89Å; W171-Y204 AromaticContact CE2-CG 3.79Å; W171-Y204 VanDerWaalsContact CZ2-CB 3.42Å; W171-Y204 HydrophobicContact CZ2-CD1 4.11Å; W171-Y204 AromaticContact CZ2-CD2 3.94Å; W171-Y204 HydrophobicContact CZ2-CD2 3.94Å; W171-Y204 AromaticContact CZ2-CG 3.51Å; W171-Y204 HydrophobicContact CZ2-CG 3.51Å; W171-Y204 AromaticContact NE1-CD1 3.15Å; W171-Y204 AromaticContact NE1-CE1 3.64Å; W171-Y204 AromaticContact NE1-CG 3.5Å; W171-I330 HydrophobicContact CE3-CG2 4.25Å; W171-I330 HydrophobicContact CH2-CB 4.32Å; W171-I330 HydrophobicContact CH2-CD1 4.16Å; W171-I330 HydrophobicContact CH2-CG1 3.78Å; W171-I330 HydrophobicContact CH2-CG2 3.68Å; W171-I330 HydrophobicContact CZ2-CD1 3.87Å; W171-I330 HydrophobicContact CZ2-CG1 3.88Å; W171-I330 HydrophobicContact CZ2-CG2 4.45Å; W171-I330 HydrophobicContact CZ3-CG1 4.48Å; W171-I330 HydrophobicContact CZ3-CG2 3.57Å |
| 172 | L | 95.3 | Very high | 97.9 | Very high | 13 Ų | 13 | 27.3 Ų | 27.3 | 7% | 0.068 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.2 | -30.4 | -179.6 | -67.3 | 176.5 | 0 | 0 | 0 | 112.6 | T108 V109 Y112 L168 V169 R174 I327 I330 | T108-L172 HydrophobicContact CG2-CB 3.88Å; T108-L172 HydrophobicContact CG2-CD1 4.47Å; V109-L172 HydrophobicContact CG2-CD1 3.8Å; Y112-L172 HydrophobicContact CD1-CD2 4.2Å; Y112-L172 HydrophobicContact CD2-CB 4.14Å; Y112-L172 HydrophobicContact CD2-CD2 4.07Å; Y112-L172 HydrophobicContact CE1-CD2 4.18Å; Y112-L172 HydrophobicContact CE2-CD2 4.08Å; Y112-L172 HydrophobicContact CG-CD2 4.14Å; L168-L172 HydrophobicContact CD1-CD1 4.14Å; L168-L172 HydrophobicContact CD1-CG 4.06Å; L168-L172 HydrophobicContact CG-CD1 4.18Å; L168-L172 WeakPolarHBondContact O-CB 3.3Å; L168-L172 VanDerWaalsContact O-CG 3.28Å; L168-L172 WeakPolarHBondContact O-CG 3.32Å; L168-L172 PolarHBondContact O-N 3.44Å; V169-L172 PolarHBondContact O-N 2.95Å; L172-R174 VanDerWaalsContact C-N 3.28Å; L172-R174 PolarHBondContact O-N 3.45Å; L172-I327 HydrophobicContact CD2-CG1 4.41Å; L172-I330 HydrophobicContact CD2-CD1 4.18Å |
| 173 | K | 94.9 | Very high | 97.9 | Very high | 104 Ų | 104 | 28.5 Ų | 28.5 | 45% | 0.452 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -2.9 | 172.3 | -72.6 | -175.8 | 175.4 | 178 | 0 | 114.6 | T108 V169 F170 W171 C175 | T108-K173 HydrophobicContact CG2-CD 4.39Å; T108-K173 HydrophobicContact CG2-CG 3.76Å; T108-K173 VanDerWaalsContact OG1-CE 3.27Å; T108-K173 WeakPolarHBondContact OG1-CE 3.46Å; V169-K173 HydrophobicContact CG1-CD 4.3Å; V169-K173 WeakPolarHBondContact O-CG 3.41Å; V169-K173 PolarHBondContact O-N 3.27Å; F170-K173 PolarHBondContact O-N 3.43Å; W171-K173 PolarHBondContact O-N 2.76Å; K173-C175 PolarHBondContact O-N 3.19Å |
| 174 | R | 94.4 | Very high | 97.9 | Very high | 100 Ų | 100 | 28.7 Ų | 28.7 | 38% | 0.377 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 19.7 | -173.1 | -49.2 | -58.6 | -177.2 | 139.5 | -4.4 | 114.1 | F170 W171 L172 Y176 Y204 | F170-R174 PolarHBondContact O-N 3.39Å; F170-R174 VanDerWaalsContact O-N 3.14Å; W171-R174 WeakPolarHBondContact O-CA 3.29Å; W171-R174 PolarHBondContact O-N 3.01Å; L172-R174 VanDerWaalsContact C-N 3.28Å; L172-R174 PolarHBondContact O-N 3.45Å; R174-Y176 HydrophobicContact CB-CE2 4.41Å; R174-Y176 WeakPolarHBondContact CD-OH 3.5Å; R174-Y176 PolarHBondContact NH1-OH 3.38Å; R174-Y176 PolarHBondContact O-N 2.94Å; R174-Y204 PolarHBondContact NH1-OH 3.42Å; R174-Y204 PolarHBondContact NH2-OH 2.74Å |
| 175 | C | 97 | Very high | 97.9 | Very high | 55 Ų | 55 | 29.8 Ų | 29.8 | 37% | 0.372 | 15% | 0.148 | S | C | . | . | trans | -80.9 | 65.3 | 172.4 | -66.9 | 0 | 0 | 0 | 0 | 110 | F170 K173 F177 L178 A179 | F170-C175 HydrophobicContact CB-CB 4.17Å; F170-C175 HydrophobicContact CD1-CB 4.23Å; F170-C175 PolarHBondContact O-N 2.99Å; K173-C175 PolarHBondContact O-N 3.19Å; C175-F177 PolarHBondContact O-N 3.02Å; C175-F177 VanDerWaalsContact O-N 3.17Å; C175-L178 PolarHBondContact O-N 3.31Å; C175-L178 VanDerWaalsContact O-N 3.07Å; C175-A179 PolarHBondContact O-N 3.38Å | ||
| 176 | Y | 97.9 | Very high | 97.9 | Very high | 15 Ų | 15 | 29.8 Ų | 29.8 | 6% | 0.059 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.6 | -32.4 | -171.7 | -61.3 | -60.4 | 0 | 0 | 0 | 113.9 | R174 L178 A179 V180 M205 E210 | R174-Y176 HydrophobicContact CB-CE2 4.41Å; R174-Y176 WeakPolarHBondContact CD-OH 3.5Å; R174-Y176 PolarHBondContact NH1-OH 3.38Å; R174-Y176 PolarHBondContact O-N 2.94Å; Y176-L178 VanDerWaalsContact C-N 3.34Å; Y176-L178 PolarHBondContact O-N 3.49Å; Y176-A179 PolarHBondContact O-N 3.43Å; Y176-V180 WeakPolarHBondContact O-CB 3.48Å; Y176-V180 WeakPolarHBondContact O-CG2 3.34Å; Y176-V180 PolarHBondContact O-N 3.37Å; Y176-M205 HydrophobicContact CD1-CE 3.85Å; Y176-M205 HydrophobicContact CD1-CG 3.97Å; Y176-M205 HydrophobicContact CD1-SD 3.7Å; Y176-M205 HydrophobicContact CD2-CE 4.34Å; Y176-M205 HydrophobicContact CE1-CE 4.47Å; Y176-M205 HydrophobicContact CE1-CG 3.88Å; Y176-M205 HydrophobicContact CE1-SD 4.25Å; Y176-M205 HydrophobicContact CG-CE 3.77Å; Y176-M205 HydrophobicContact CG-SD 4.22Å; Y176-E210 HydrophobicContact CE2-CG 4.29Å |
| 177 | F | 98.5 | Very high | 97.8 | Very high | 94 Ų | 94 | 29.4 Ų | 29.4 | 41% | 0.412 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -53.8 | -51.3 | 174.3 | 174.3 | -98.5 | 0 | 0 | 0 | 111.4 | C175 G181 L217 L220 W221 | C175-F177 PolarHBondContact O-N 3.02Å; C175-F177 VanDerWaalsContact O-N 3.17Å; F177-G181 PolarHBondContact O-N 2.89Å; F177-L217 HydrophobicContact CB-CD2 4.1Å; F177-L217 HydrophobicContact CD2-CD2 3.75Å; F177-L217 HydrophobicContact CG-CD2 4.42Å; F177-L220 HydrophobicContact CD2-CD2 4.23Å; F177-L220 HydrophobicContact CE2-CD2 3.76Å; F177-W221 HydrophobicContact CD1-CZ2 4.11Å; F177-W221 HydrophobicContact CD2-CZ2 4.37Å; F177-W221 HydrophobicContact CE1-CH2 4.16Å; F177-W221 AromaticContact CE1-CZ2 3.58Å; F177-W221 HydrophobicContact CE1-CZ2 3.58Å; F177-W221 AromaticContact CE2-CE2 3.99Å; F177-W221 AromaticContact CE2-CZ2 3.86Å; F177-W221 HydrophobicContact CE2-CZ2 3.86Å; F177-W221 HydrophobicContact CG-CZ2 4.48Å; F177-W221 AromaticContact CZ-CH2 3.96Å; F177-W221 HydrophobicContact CZ-CH2 3.96Å; F177-W221 AromaticContact CZ-CZ2 3.43Å; F177-W221 HydrophobicContact CZ-CZ2 3.43Å; F177-W221 VanDerWaalsContact CZ-CZ2 3.43Å; F177-W221 PolarHBondContact O-NE1 3.01Å |
| 178 | L | 98.6 | Very high | 97.8 | Very high | 70 Ų | 70 | 30.6 Ų | 30.6 | 37% | 0.366 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -74.9 | -35.5 | 179.8 | -62.8 | 175.9 | 0 | 0 | 0 | 112.1 | F170 C175 Y176 G181 C182 | F170-L178 HydrophobicContact CB-CB 3.96Å; F170-L178 HydrophobicContact CD1-CB 3.81Å; F170-L178 HydrophobicContact CD1-CD1 3.7Å; F170-L178 HydrophobicContact CD1-CG 4.41Å; F170-L178 HydrophobicContact CD2-CB 3.53Å; F170-L178 HydrophobicContact CE1-CB 4.16Å; F170-L178 HydrophobicContact CE1-CD1 3.45Å; F170-L178 VanDerWaalsContact CE1-CD1 3.45Å; F170-L178 HydrophobicContact CE1-CG 4.44Å; F170-L178 HydrophobicContact CE2-CB 3.89Å; F170-L178 HydrophobicContact CE2-CD1 4.35Å; F170-L178 HydrophobicContact CG-CB 3.49Å; F170-L178 VanDerWaalsContact CG-CB 3.49Å; F170-L178 HydrophobicContact CG-CD1 4.28Å; F170-L178 HydrophobicContact CZ-CB 4.2Å; F170-L178 HydrophobicContact CZ-CD1 3.81Å; C175-L178 PolarHBondContact O-N 3.31Å; C175-L178 VanDerWaalsContact O-N 3.07Å; Y176-L178 VanDerWaalsContact C-N 3.34Å; Y176-L178 PolarHBondContact O-N 3.49Å; L178-G181 PolarHBondContact O-N 3.43Å; L178-C182 PolarHBondContact O-N 3.3Å; L178-C182 PolarHBondContact O-SG 2.96Å; L178-C182 VanDerWaalsContact O-SG 3.34Å |
| 179 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.6 | -50.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F170 W171 C175 Y176 G181 C182 V183 L201 | F170-A179 HydrophobicContact CB-CB 3.81Å; W171-A179 HydrophobicContact CB-CB 4.32Å; C175-A179 PolarHBondContact O-N 3.38Å; Y176-A179 PolarHBondContact O-N 3.43Å; A179-G181 VanDerWaalsContact C-N 3.27Å; A179-G181 PolarHBondContact O-N 2.82Å; A179-C182 PolarHBondContact O-N 3.27Å; A179-V183 PolarHBondContact O-N 2.94Å; A179-L201 HydrophobicContact CB-CD1 4.47Å; A179-L201 HydrophobicContact CB-CD2 3.85Å |
| 180 | V | 98.7 | Very high | 97.7 | Very high | 8 Ų | 8 | 31.3 Ų | 31.3 | 5% | 0.048 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.3 | -36.7 | 174.6 | 177.1 | 0 | 0 | 0 | 0 | 110.3 | Y176 C182 V183 A184 M205 L214 L217 V218 | Y176-V180 WeakPolarHBondContact O-CB 3.48Å; Y176-V180 WeakPolarHBondContact O-CG2 3.34Å; Y176-V180 PolarHBondContact O-N 3.37Å; V180-C182 PolarHBondContact O-N 2.63Å; V180-V183 PolarHBondContact O-N 2.9Å; V180-A184 WeakPolarHBondContact O-CB 3.34Å; V180-A184 PolarHBondContact O-N 3.5Å; V180-M205 HydrophobicContact CG2-SD 4.01Å; V180-L214 HydrophobicContact CG2-CD1 4.09Å; V180-L217 HydrophobicContact CB-CB 4.23Å; V180-L217 HydrophobicContact CG1-CB 4.04Å; V180-L217 HydrophobicContact CG2-CB 4.31Å; V180-L217 HydrophobicContact CG2-CD1 4.1Å; V180-V218 HydrophobicContact CG1-CG2 4.1Å |
| 181 | G | 98.6 | Very high | 97.6 | Very high | 5 Ų | 5 | 30.3 Ų | 30.3 | 5% | 0.052 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.6 | -43.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | F177 L178 A179 V183 A184 F185 W221 | F177-G181 PolarHBondContact O-N 2.89Å; L178-G181 PolarHBondContact O-N 3.43Å; A179-G181 VanDerWaalsContact C-N 3.27Å; A179-G181 PolarHBondContact O-N 2.82Å; G181-V183 VanDerWaalsContact C-N 3.33Å; G181-V183 PolarHBondContact O-N 3.26Å; G181-A184 PolarHBondContact O-N 2.9Å; G181-F185 VanDerWaalsContact O-CB 3.22Å; G181-F185 WeakPolarHBondContact O-CB 3.35Å; G181-F185 PolarHBondContact O-N 3.09Å; G181-W221 VanDerWaalsContact CA-NE1 3.26Å |
| 182 | C | 98.8 | Very high | 97.6 | Very high | 12 Ų | 12 | 31.2 Ų | 31.2 | 8% | 0.081 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.1 | -41.8 | 174.7 | -70.5 | 0 | 0 | 0 | 0 | 111.8 | M167 L178 A179 V180 T186 | M167-C182 HydrophobicContact CB-CB 3.78Å; L178-C182 PolarHBondContact O-N 3.3Å; L178-C182 PolarHBondContact O-SG 2.96Å; L178-C182 VanDerWaalsContact O-SG 3.34Å; A179-C182 PolarHBondContact O-N 3.27Å; V180-C182 PolarHBondContact O-N 2.63Å; C182-T186 VanDerWaalsContact O-CB 3.28Å; C182-T186 WeakPolarHBondContact O-CB 3.2Å; C182-T186 PolarHBondContact O-N 2.88Å; C182-T186 PolarHBondContact O-OG1 3.49Å |
| 183 | V | 98.7 | Very high | 97.6 | Very high | 31 Ų | 31 | 33 Ų | 33 | 19% | 0.188 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.5 | -47.8 | 176.5 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | M167 A179 V180 G181 T186 G187 A195 L201 | M167-V183 HydrophobicContact CG-CG2 3.72Å; M167-V183 HydrophobicContact SD-CG2 3.98Å; A179-V183 PolarHBondContact O-N 2.94Å; V180-V183 PolarHBondContact O-N 2.9Å; G181-V183 VanDerWaalsContact C-N 3.33Å; G181-V183 PolarHBondContact O-N 3.26Å; V183-T186 PolarHBondContact O-N 2.9Å; V183-G187 PolarHBondContact O-N 3.05Å; V183-A195 HydrophobicContact CG1-CB 4.28Å; V183-L201 HydrophobicContact CG2-CD2 4.05Å |
| 184 | A | 98.6 | Very high | 97.7 | Very high | 19 Ų | 19 | 28.1 Ų | 28.1 | 16% | 0.157 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.7 | -46 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V180 G181 T186 G187 L188 W221 L225 | V180-A184 WeakPolarHBondContact O-CB 3.34Å; V180-A184 PolarHBondContact O-N 3.5Å; G181-A184 PolarHBondContact O-N 2.9Å; A184-T186 PolarHBondContact O-N 2.87Å; A184-G187 PolarHBondContact O-N 3.29Å; A184-L188 VanDerWaalsContact O-CB 3.29Å; A184-L188 WeakPolarHBondContact O-CB 3.41Å; A184-L188 VanDerWaalsContact O-CG 3.29Å; A184-L188 WeakPolarHBondContact O-CG 3.33Å; A184-L188 PolarHBondContact O-N 3.37Å; A184-W221 HydrophobicContact CB-CB 3.72Å; A184-W221 HydrophobicContact CB-CG 4.23Å; A184-L225 HydrophobicContact CB-CD1 4.03Å |
| 185 | F | 98.5 | Very high | 97.9 | Very high | 28 Ų | 28 | 24.8 Ų | 24.8 | 12% | 0.123 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.4 | -45.2 | 177 | -168.2 | -82.5 | 0 | 0 | 0 | 111.5 | F68 F69 L163 G181 G187 I189 V190 L225 | F68-F185 HydrophobicContact CD1-CE1 4.15Å; F68-F185 AromaticContact CD1-CZ 3.53Å; F68-F185 HydrophobicContact CD1-CZ 3.53Å; F68-F185 HydrophobicContact CD2-CE2 4.09Å; F68-F185 AromaticContact CD2-CZ 3.79Å; F68-F185 HydrophobicContact CD2-CZ 3.79Å; F68-F185 AromaticContact CE1-CE1 3.92Å; F68-F185 HydrophobicContact CE1-CE1 3.92Å; F68-F185 HydrophobicContact CE1-CE2 4.23Å; F68-F185 AromaticContact CE1-CZ 3.37Å; F68-F185 HydrophobicContact CE1-CZ 3.37Å; F68-F185 AromaticContact CE2-CE2 3.75Å; F68-F185 HydrophobicContact CE2-CE2 3.75Å; F68-F185 AromaticContact CE2-CZ 3.65Å; F68-F185 HydrophobicContact CE2-CZ 3.65Å; F68-F185 HydrophobicContact CG-CE2 4.46Å; F68-F185 AromaticContact CG-CZ 3.73Å; F68-F185 HydrophobicContact CG-CZ 3.73Å; F68-F185 HydrophobicContact CZ-CE1 4.29Å; F68-F185 AromaticContact CZ-CE2 3.82Å; F68-F185 HydrophobicContact CZ-CE2 3.82Å; F68-F185 AromaticContact CZ-CZ 3.43Å; F68-F185 HydrophobicContact CZ-CZ 3.43Å; F68-F185 VanDerWaalsContact CZ-CZ 3.43Å; F69-F185 HydrophobicContact CE2-CE1 4.07Å; F69-F185 AromaticContact CZ-CE1 3.89Å; F69-F185 HydrophobicContact CZ-CE1 3.89Å; L163-F185 HydrophobicContact CD1-CD1 3.71Å; L163-F185 HydrophobicContact CD1-CE1 4.21Å; L163-F185 HydrophobicContact CD2-CD1 4.22Å; G181-F185 VanDerWaalsContact O-CB 3.22Å; G181-F185 WeakPolarHBondContact O-CB 3.35Å; G181-F185 PolarHBondContact O-N 3.09Å; F185-G187 PolarHBondContact O-N 3.49Å; F185-I189 HydrophobicContact CD2-CD1 3.68Å; F185-I189 HydrophobicContact CE1-CB 4.3Å; F185-I189 HydrophobicContact CE1-CG2 4.17Å; F185-I189 HydrophobicContact CE2-CB 4.49Å; F185-I189 HydrophobicContact CE2-CD1 3.39Å; F185-I189 HydrophobicContact CE2-CG1 4.49Å; F185-I189 HydrophobicContact CG-CD1 4.42Å; F185-I189 HydrophobicContact CZ-CB 4.24Å; F185-I189 HydrophobicContact CZ-CD1 3.92Å; F185-I189 HydrophobicContact CZ-CG2 3.93Å; F185-I189 PolarHBondContact O-N 3.19Å; F185-V190 HydrophobicContact CD1-CG2 3.92Å; F185-V190 HydrophobicContact CE1-CG2 3.78Å; F185-V190 PolarHBondContact O-N 2.93Å; F185-L225 HydrophobicContact CB-CD1 4.26Å; F185-L225 HydrophobicContact CD2-CD1 4.45Å; F185-L225 HydrophobicContact CD2-CD2 4.17Å |
| 186 | T | 98.5 | Very high | 97.9 | Very high | 3 Ų | 3 | 23.8 Ų | 23.8 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -58.8 | -49.6 | 175.2 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | L163 C182 V183 A184 V190 W191 A194 | L163-T186 VanDerWaalsContact CB-OG1 3.25Å; L163-T186 WeakPolarHBondContact CB-OG1 3.43Å; L163-T186 WeakPolarHBondContact CD1-OG1 3.05Å; C182-T186 VanDerWaalsContact O-CB 3.28Å; C182-T186 WeakPolarHBondContact O-CB 3.2Å; C182-T186 PolarHBondContact O-N 2.88Å; C182-T186 PolarHBondContact O-OG1 3.49Å; V183-T186 PolarHBondContact O-N 2.9Å; A184-T186 PolarHBondContact O-N 2.87Å; T186-V190 CarbonylContact O-C 3.54Å; T186-V190 WeakPolarHBondContact O-CB 3.32Å; T186-V190 PolarHBondContact O-N 2.76Å; T186-W191 CarbonylContact O-C 3.55Å; T186-W191 PolarHBondContact O-N 3.02Å; T186-A194 HydrophobicContact CG2-CB 3.49Å; T186-A194 VanDerWaalsContact CG2-CB 3.49Å |
| 187 | G | 97.8 | Very high | 97.9 | Very high | 10 Ų | 10 | 23.2 Ų | 23.2 | 10% | 0.103 | 13% | 0.13 | C | C | . | . | I | π-helix | trans | -71.4 | -33.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115 | V183 A184 F185 P192 | V183-G187 PolarHBondContact O-N 3.05Å; A184-G187 PolarHBondContact O-N 3.29Å; F185-G187 PolarHBondContact O-N 3.49Å; G187-P192 WeakPolarHBondContact O-CA 3.19Å; G187-P192 WeakPolarHBondContact O-CB 3.42Å |
| 188 | L | 97.8 | Very high | 97.9 | Very high | 27 Ų | 27 | 19 Ų | 19 | 14% | 0.141 | 11% | 0.114 | C | C | . | . | I | π-helix | trans | -94.4 | -39.4 | -173.2 | -64.4 | 171.4 | 0 | 0 | 0 | 113.2 | A184 M222 L225 V226 P244 | A184-L188 VanDerWaalsContact O-CB 3.29Å; A184-L188 WeakPolarHBondContact O-CB 3.41Å; A184-L188 VanDerWaalsContact O-CG 3.29Å; A184-L188 WeakPolarHBondContact O-CG 3.33Å; A184-L188 PolarHBondContact O-N 3.37Å; L188-M222 HydrophobicContact CD1-SD 3.67Å; L188-M222 HydrophobicContact CD2-SD 4.03Å; L188-M222 HydrophobicContact CG-SD 4.4Å; L188-L225 HydrophobicContact CD1-CB 3.85Å; L188-L225 HydrophobicContact CD1-CD1 4.07Å; L188-V226 HydrophobicContact CD1-CG2 4.27Å; L188-P244 WeakPolarHBondContact O-CG 3.18Å |
| 189 | I | 97.7 | Very high | 97.9 | Very high | 9 Ų | 9 | 19.3 Ų | 19.3 | 5% | 0.046 | 12% | 0.115 | C | C | . | . | I | π-helix | trans | -104.3 | -33.6 | -172.3 | -65.8 | 171.6 | 0 | 0 | 0 | 111.7 | L64 Y65 F185 L225 | L64-I189 HydrophobicContact CD2-CD1 3.95Å; L64-I189 HydrophobicContact CD2-CG1 3.98Å; Y65-I189 WeakPolarHBondContact CD2-O 3.14Å; F185-I189 HydrophobicContact CD2-CD1 3.68Å; F185-I189 HydrophobicContact CE1-CB 4.3Å; F185-I189 HydrophobicContact CE1-CG2 4.17Å; F185-I189 HydrophobicContact CE2-CB 4.49Å; F185-I189 HydrophobicContact CE2-CD1 3.39Å; F185-I189 HydrophobicContact CE2-CG1 4.49Å; F185-I189 HydrophobicContact CG-CD1 4.42Å; F185-I189 HydrophobicContact CZ-CB 4.24Å; F185-I189 HydrophobicContact CZ-CD1 3.92Å; F185-I189 HydrophobicContact CZ-CG2 3.93Å; F185-I189 PolarHBondContact O-N 3.19Å; I189-L225 HydrophobicContact CD1-CD2 3.91Å |
| 190 | V | 97.9 | Very high | 97.8 | Very high | 12 Ų | 12 | 19.8 Ų | 19.8 | 7% | 0.073 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -98.6 | -77.9 | -171.1 | -174.9 | 0 | 0 | 0 | 0 | 111.1 | Y65 F69 P156 P159 S160 L163 F185 T186 | Y65-V190 HydrophobicContact CE2-CG1 4.1Å; Y65-V190 HydrophobicContact CE2-CG2 4.49Å; F69-V190 HydrophobicContact CE2-CG2 3.76Å; F69-V190 HydrophobicContact CZ-CG2 3.94Å; P156-V190 HydrophobicContact CB-CG1 3.72Å; P156-V190 VanDerWaalsContact CB-O 3.3Å; P156-V190 WeakPolarHBondContact CB-O 3.16Å; P156-V190 WeakPolarHBondContact O-CG1 3.37Å; P159-V190 HydrophobicContact CB-CG1 4.34Å; S160-V190 VanDerWaalsContact OG-CG1 3.24Å; S160-V190 WeakPolarHBondContact OG-CG1 3.39Å; L163-V190 HydrophobicContact CD1-CG2 3.71Å; F185-V190 HydrophobicContact CD1-CG2 3.92Å; F185-V190 HydrophobicContact CE1-CG2 3.78Å; F185-V190 PolarHBondContact O-N 2.93Å; T186-V190 CarbonylContact O-C 3.54Å; T186-V190 WeakPolarHBondContact O-CB 3.32Å; T186-V190 PolarHBondContact O-N 2.76Å |
| 191 | W | 96.4 | Very high | 97.8 | Very high | 17 Ų | 17 | 19.6 Ų | 19.6 | 6% | 0.064 | 12% | 0.117 | C | C | . | . | trans | -148 | 110.8 | -176.1 | -164.6 | 37.6 | 0 | 0 | 0 | 110.9 | P156 T186 F193 A194 W338 F342 F352 P355 | P156-W191 HydrophobicContact CB-CB 3.87Å; P156-W191 HydrophobicContact CB-CG 4.39Å; T186-W191 CarbonylContact O-C 3.55Å; T186-W191 PolarHBondContact O-N 3.02Å; W191-F193 VanDerWaalsContact C-N 3.26Å; W191-F193 HydrophobicContact CD2-CB 4.4Å; W191-F193 AromaticContact CE2-CD2 3.67Å; W191-F193 HydrophobicContact CZ2-CB 4.13Å; W191-F193 AromaticContact CZ2-CD2 3.92Å; W191-F193 HydrophobicContact CZ2-CD2 3.92Å; W191-F193 HydrophobicContact CZ2-CG 4.5Å; W191-F193 AromaticContact NE1-CD2 3.35Å; W191-F193 PolarHBondContact O-N 2.94Å; W191-A194 HydrophobicContact CB-CB 4.32Å; W191-A194 HydrophobicContact CD2-CB 4.48Å; W191-A194 HydrophobicContact CE3-CB 3.84Å; W191-A194 PolarHBondContact O-N 3Å; W191-W338 HydrophobicContact CE3-CH2 4.43Å; W191-W338 HydrophobicContact CH2-CH2 4.44Å; W191-W338 HydrophobicContact CH2-CZ2 4.43Å; W191-W338 AromaticContact CZ3-CH2 3.81Å; W191-W338 HydrophobicContact CZ3-CH2 3.81Å; W191-W338 AromaticContact CZ3-CZ2 3.89Å; W191-W338 HydrophobicContact CZ3-CZ2 3.89Å; W191-F342 AromaticContact CH2-CE1 3.88Å; W191-F342 HydrophobicContact CH2-CE1 3.88Å; W191-F342 HydrophobicContact CH2-CE2 4.5Å; W191-F342 AromaticContact CH2-CZ 3.49Å; W191-F342 HydrophobicContact CH2-CZ 3.49Å; W191-F342 VanDerWaalsContact CH2-CZ 3.49Å; W191-F342 HydrophobicContact CZ2-CE1 4.38Å; W191-F342 HydrophobicContact CZ2-CZ 4.16Å; W191-F342 HydrophobicContact CZ3-CZ 4.24Å; W191-F352 HydrophobicContact CH2-CB 4.14Å; W191-F352 AromaticContact CH2-CD1 3.57Å; W191-F352 HydrophobicContact CH2-CD1 3.57Å; W191-F352 HydrophobicContact CH2-CE1 4.31Å; W191-F352 HydrophobicContact CH2-CG 4.06Å; W191-F352 AromaticContact CZ2-CD1 3.69Å; W191-F352 HydrophobicContact CZ2-CD1 3.69Å; W191-F352 AromaticContact CZ2-CE1 3.96Å; W191-F352 HydrophobicContact CZ2-CE1 3.96Å; W191-F352 HydrophobicContact CZ2-CG 4.46Å; W191-P355 HydrophobicContact CE3-CG 3.92Å; W191-P355 HydrophobicContact CZ3-CG 3.75Å | ||
| 192 | P | 96.4 | Very high | 97.7 | Very high | 24 Ų | 24 | 20.9 Ų | 20.9 | 16% | 0.156 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -58.5 | -36.1 | -174 | 17.8 | -29.4 | 0 | 0 | 0 | 113.6 | G187 A194 A195 P244 I247 V248 | G187-P192 WeakPolarHBondContact O-CA 3.19Å; G187-P192 WeakPolarHBondContact O-CB 3.42Å; P192-A194 VanDerWaalsContact C-N 3.28Å; P192-A194 PolarHBondContact O-N 2.74Å; P192-A195 VanDerWaalsContact O-CB 3.23Å; P192-A195 WeakPolarHBondContact O-CB 3.42Å; P192-A195 PolarHBondContact O-N 2.9Å; P192-A195 VanDerWaalsContact O-N 3.15Å; P192-P244 HydrophobicContact CB-CB 4.38Å; P192-P244 HydrophobicContact CG-CB 4.35Å; P192-I247 HydrophobicContact CG-CG2 3.52Å; P192-V248 HydrophobicContact CB-CG2 3.67Å; P192-V248 HydrophobicContact CG-CG2 3.83Å |
| 193 | F | 95.8 | Very high | 97.6 | Very high | 49 Ų | 49 | 23 Ų | 23 | 22% | 0.215 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -67.9 | -26.9 | -179.4 | -52.1 | -63.2 | 0 | 0 | 0 | 112.8 | W191 A195 V196 I247 V248 N251 W338 F342 | W191-F193 VanDerWaalsContact C-N 3.26Å; W191-F193 HydrophobicContact CD2-CB 4.4Å; W191-F193 AromaticContact CE2-CD2 3.67Å; W191-F193 HydrophobicContact CZ2-CB 4.13Å; W191-F193 AromaticContact CZ2-CD2 3.92Å; W191-F193 HydrophobicContact CZ2-CD2 3.92Å; W191-F193 HydrophobicContact CZ2-CG 4.5Å; W191-F193 AromaticContact NE1-CD2 3.35Å; W191-F193 PolarHBondContact O-N 2.94Å; F193-A195 PolarHBondContact O-N 2.88Å; F193-V196 WeakPolarHBondContact O-CB 3.14Å; F193-V196 VanDerWaalsContact O-CG2 3.3Å; F193-V196 WeakPolarHBondContact O-CG2 3.49Å; F193-V196 PolarHBondContact O-N 3.06Å; F193-I247 HydrophobicContact CE2-CG1 4.49Å; F193-V248 HydrophobicContact CE1-CG2 4.14Å; F193-V248 HydrophobicContact CZ-CG2 4.38Å; F193-N251 HydrophobicContact CZ-CB 3.87Å; F193-W338 WeakPolarHBondContact O-CZ3 3.4Å; F193-F342 HydrophobicContact CB-CZ 4.5Å |
| 194 | A | 97.5 | Very high | 97.5 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 2% | 0.017 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -69.3 | -17.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T186 W191 P192 V196 L197 W338 P355 | T186-A194 HydrophobicContact CG2-CB 3.49Å; T186-A194 VanDerWaalsContact CG2-CB 3.49Å; W191-A194 HydrophobicContact CB-CB 4.32Å; W191-A194 HydrophobicContact CD2-CB 4.48Å; W191-A194 HydrophobicContact CE3-CB 3.84Å; W191-A194 PolarHBondContact O-N 3Å; P192-A194 VanDerWaalsContact C-N 3.28Å; P192-A194 PolarHBondContact O-N 2.74Å; A194-V196 PolarHBondContact O-N 3.29Å; A194-V196 VanDerWaalsContact O-N 3.16Å; A194-L197 PolarHBondContact O-N 3.44Å; A194-L197 VanDerWaalsContact O-N 3.17Å; A194-W338 HydrophobicContact CB-CH2 4.13Å; A194-P355 HydrophobicContact CB-CB 4.21Å; A194-P355 HydrophobicContact CB-CG 4.2Å |
| 195 | A | 97.3 | Very high | 97.4 | Very high | 31 Ų | 31 | 24 Ų | 24 | 26% | 0.256 | 14% | 0.136 | S | C | . | . | G | 310 helix | trans | -62.1 | -21.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V183 P192 F193 L197 G198 | V183-A195 HydrophobicContact CG1-CB 4.28Å; P192-A195 VanDerWaalsContact O-CB 3.23Å; P192-A195 WeakPolarHBondContact O-CB 3.42Å; P192-A195 PolarHBondContact O-N 2.9Å; P192-A195 VanDerWaalsContact O-N 3.15Å; F193-A195 PolarHBondContact O-N 2.88Å; A195-L197 PolarHBondContact O-N 3.48Å; A195-G198 WeakPolarHBondContact O-CA 3.16Å; A195-G198 PolarHBondContact O-N 3.33Å |
| 196 | V | 97.7 | Very high | 97.2 | Very high | 34 Ų | 34 | 27.4 Ų | 27.4 | 21% | 0.206 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -55.3 | -33.3 | 174.2 | 168.1 | 0 | 0 | 0 | 0 | 112.2 | F193 A194 G198 I199 I337 W338 I341 | F193-V196 WeakPolarHBondContact O-CB 3.14Å; F193-V196 VanDerWaalsContact O-CG2 3.3Å; F193-V196 WeakPolarHBondContact O-CG2 3.49Å; F193-V196 PolarHBondContact O-N 3.06Å; A194-V196 PolarHBondContact O-N 3.29Å; A194-V196 VanDerWaalsContact O-N 3.16Å; V196-G198 PolarHBondContact O-N 3.3Å; V196-G198 VanDerWaalsContact O-N 3.12Å; V196-I199 HydrophobicContact CB-CD1 4.41Å; V196-I199 HydrophobicContact CG1-CD1 3.97Å; V196-I199 VanDerWaalsContact O-CB 3.31Å; V196-I199 WeakPolarHBondContact O-CB 3.3Å; V196-I199 VanDerWaalsContact O-CG1 3.28Å; V196-I199 WeakPolarHBondContact O-CG1 3.48Å; V196-I199 PolarHBondContact O-N 3.15Å; V196-I337 HydrophobicContact CG1-CG2 3.52Å; V196-W338 HydrophobicContact CB-CZ3 4.41Å; V196-I341 HydrophobicContact CB-CD1 4.47Å; V196-I341 HydrophobicContact CG1-CD1 3.45Å; V196-I341 VanDerWaalsContact CG1-CD1 3.45Å; V196-I341 HydrophobicContact CG2-CD1 4.28Å |
| 197 | L | 98.2 | Very high | 97 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -66.1 | -12.1 | 175.9 | -70.6 | 166.9 | 0 | 0 | 0 | 113 | T164 A194 A195 P200 W338 P355 F359 | T164-L197 HydrophobicContact CG2-CB 4.16Å; T164-L197 HydrophobicContact CG2-CD1 3.63Å; A194-L197 PolarHBondContact O-N 3.44Å; A194-L197 VanDerWaalsContact O-N 3.17Å; A195-L197 PolarHBondContact O-N 3.48Å; L197-P200 WeakPolarHBondContact O-CD 3.34Å; L197-W338 HydrophobicContact CD1-CD2 4.16Å; L197-W338 HydrophobicContact CD1-CE3 3.79Å; L197-W338 HydrophobicContact CD1-CH2 4.35Å; L197-W338 HydrophobicContact CD1-CZ3 3.9Å; L197-W338 HydrophobicContact CD2-CB 3.98Å; L197-W338 HydrophobicContact CD2-CD2 4.17Å; L197-W338 HydrophobicContact CD2-CE3 3.85Å; L197-W338 HydrophobicContact CD2-CG 4.28Å; L197-W338 HydrophobicContact CG-CD2 4.17Å; L197-W338 HydrophobicContact CG-CE3 3.5Å; L197-W338 VanDerWaalsContact CG-CE3 3.5Å; L197-W338 HydrophobicContact CG-CZ3 3.84Å; L197-P355 HydrophobicContact CD1-CB 3.68Å; L197-P355 WeakPolarHBondContact CD1-O 3.41Å; L197-F359 HydrophobicContact CB-CE2 4.47Å; L197-F359 HydrophobicContact CD1-CE2 4.08Å; L197-F359 HydrophobicContact CD2-CD2 4.43Å; L197-F359 HydrophobicContact CD2-CE2 4Å; L197-F359 HydrophobicContact CD2-CZ 4.41Å; L197-F359 HydrophobicContact CG-CE2 4.42Å |
| 198 | G | 98 | Very high | 96.8 | Very high | 7 Ų | 7 | 37.5 Ų | 37.5 | 7% | 0.072 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -82.1 | -10 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A195 V196 L201 A202 | A195-G198 WeakPolarHBondContact O-CA 3.16Å; A195-G198 PolarHBondContact O-N 3.33Å; V196-G198 PolarHBondContact O-N 3.3Å; V196-G198 VanDerWaalsContact O-N 3.12Å; G198-L201 WeakPolarHBondContact O-CB 3.41Å; G198-L201 PolarHBondContact O-N 2.91Å; G198-A202 PolarHBondContact O-N 2.74Å |
| 199 | I | 98 | Very high | 96.5 | Very high | 76 Ų | 76 | 39.5 Ų | 39.5 | 39% | 0.39 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.9 | -47.5 | 178.9 | -67.6 | 171.3 | 0 | 0 | 0 | 111.6 | V196 L201 A202 V203 I337 | V196-I199 HydrophobicContact CB-CD1 4.41Å; V196-I199 HydrophobicContact CG1-CD1 3.97Å; V196-I199 VanDerWaalsContact O-CB 3.31Å; V196-I199 WeakPolarHBondContact O-CB 3.3Å; V196-I199 VanDerWaalsContact O-CG1 3.28Å; V196-I199 WeakPolarHBondContact O-CG1 3.48Å; V196-I199 PolarHBondContact O-N 3.15Å; I199-L201 VanDerWaalsContact C-N 3.26Å; I199-L201 PolarHBondContact O-N 3.34Å; I199-A202 PolarHBondContact O-N 3.17Å; I199-A202 VanDerWaalsContact O-N 3.11Å; I199-V203 HydrophobicContact CG2-CG2 4.07Å; I199-V203 WeakPolarHBondContact O-CB 3.46Å; I199-V203 WeakPolarHBondContact O-CG2 3.48Å; I199-V203 PolarHBondContact O-N 2.68Å; I199-I337 HydrophobicContact CG2-CD1 4.29Å |
| 200 | P | 97.6 | Very high | 96.3 | Very high | 10 Ų | 10 | 41 Ų | 41 | 7% | 0.065 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.3 | -37.8 | 176.2 | -27.6 | 37.7 | 0 | 0 | 0 | 113.2 | W171 L197 Y204 I333 I337 | W171-P200 VanDerWaalsContact CH2-C 3.42Å; W171-P200 HydrophobicContact CH2-CB 3.74Å; W171-P200 WeakPolarHBondContact CH2-O 3.32Å; W171-P200 HydrophobicContact CZ3-CB 4.01Å; L197-P200 WeakPolarHBondContact O-CD 3.34Å; P200-Y204 WeakPolarHBondContact O-CB 3.4Å; P200-Y204 PolarHBondContact O-N 2.96Å; P200-I333 HydrophobicContact CB-CG2 4.33Å; P200-I333 HydrophobicContact CG-CG2 3.91Å; P200-I337 HydrophobicContact CG-CD1 4Å |
| 201 | L | 97.4 | Very high | 96.2 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.2 | -46.8 | 174.7 | 167.2 | 64.4 | 0 | 0 | 0 | 111.2 | M167 W171 A179 V183 G198 I199 Y204 M205 | M167-L201 HydrophobicContact CG-CD2 4.03Å; M167-L201 HydrophobicContact SD-CB 4.45Å; M167-L201 HydrophobicContact SD-CD2 4.36Å; W171-L201 HydrophobicContact CB-CD1 4.02Å; W171-L201 HydrophobicContact CD2-CB 4.1Å; W171-L201 HydrophobicContact CD2-CD1 3.68Å; W171-L201 HydrophobicContact CD2-CG 4.47Å; W171-L201 HydrophobicContact CE3-CB 3.77Å; W171-L201 HydrophobicContact CE3-CD1 4.21Å; W171-L201 HydrophobicContact CG-CD1 3.55Å; W171-L201 HydrophobicContact CH2-CB 4.37Å; W171-L201 HydrophobicContact CZ3-CB 3.91Å; A179-L201 HydrophobicContact CB-CD1 4.47Å; A179-L201 HydrophobicContact CB-CD2 3.85Å; V183-L201 HydrophobicContact CG2-CD2 4.05Å; G198-L201 WeakPolarHBondContact O-CB 3.41Å; G198-L201 PolarHBondContact O-N 2.91Å; I199-L201 VanDerWaalsContact C-N 3.26Å; I199-L201 PolarHBondContact O-N 3.34Å; L201-Y204 WeakPolarHBondContact O-CB 3.34Å; L201-Y204 PolarHBondContact O-N 2.98Å; L201-M205 HydrophobicContact CD1-CG 4.11Å; L201-M205 HydrophobicContact CD1-SD 4.02Å; L201-M205 HydrophobicContact CG-SD 4.36Å; L201-M205 WeakPolarHBondContact O-CG 3.5Å; L201-M205 PolarHBondContact O-N 2.89Å |
| 202 | A | 97.8 | Very high | 96.2 | Very high | 31 Ų | 31 | 54.1 Ų | 54.1 | 26% | 0.256 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.1 | -49.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G198 I199 Y204 M205 M206 L214 | G198-A202 PolarHBondContact O-N 2.74Å; I199-A202 PolarHBondContact O-N 3.17Å; I199-A202 VanDerWaalsContact O-N 3.11Å; A202-Y204 VanDerWaalsContact C-N 3.29Å; A202-Y204 PolarHBondContact O-N 3.47Å; A202-M205 PolarHBondContact O-N 3.14Å; A202-M206 VanDerWaalsContact O-CG 3.3Å; A202-M206 WeakPolarHBondContact O-CG 3.29Å; A202-M206 PolarHBondContact O-N 2.87Å; A202-L214 HydrophobicContact CB-CD2 4.14Å |
| 203 | V | 96.7 | Very high | 96.3 | Very high | 58 Ų | 58 | 58.5 Ų | 58.5 | 35% | 0.352 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 176.3 | 172.7 | 0 | 0 | 0 | 0 | 110.8 | I199 M205 M206 F207 | I199-V203 HydrophobicContact CG2-CG2 4.07Å; I199-V203 WeakPolarHBondContact O-CB 3.46Å; I199-V203 WeakPolarHBondContact O-CG2 3.48Å; I199-V203 PolarHBondContact O-N 2.68Å; V203-M205 PolarHBondContact O-N 3.44Å; V203-M206 WeakPolarHBondContact O-CB 3.01Å; V203-M206 PolarHBondContact O-N 3.08Å; V203-F207 HydrophobicContact CG1-CD2 3.57Å; V203-F207 HydrophobicContact CG1-CE2 3.44Å; V203-F207 VanDerWaalsContact CG1-CE2 3.44Å; V203-F207 VanDerWaalsContact O-CD2 3.22Å; V203-F207 WeakPolarHBondContact O-CD2 3.34Å; V203-F207 PolarHBondContact O-N 3.08Å |
| 204 | Y | 95.6 | Very high | 96.4 | Very high | 69 Ų | 69 | 57.3 Ų | 57.3 | 27% | 0.271 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 176.3 | 179.3 | -89 | 0 | 0 | 0 | 112.6 | W171 R174 P200 L201 A202 M206 F207 S208 | W171-Y204 AromaticContact CE2-CD1 3.89Å; W171-Y204 AromaticContact CE2-CG 3.79Å; W171-Y204 VanDerWaalsContact CZ2-CB 3.42Å; W171-Y204 HydrophobicContact CZ2-CD1 4.11Å; W171-Y204 AromaticContact CZ2-CD2 3.94Å; W171-Y204 HydrophobicContact CZ2-CD2 3.94Å; W171-Y204 AromaticContact CZ2-CG 3.51Å; W171-Y204 HydrophobicContact CZ2-CG 3.51Å; W171-Y204 AromaticContact NE1-CD1 3.15Å; W171-Y204 AromaticContact NE1-CE1 3.64Å; W171-Y204 AromaticContact NE1-CG 3.5Å; R174-Y204 PolarHBondContact NH1-OH 3.42Å; R174-Y204 PolarHBondContact NH2-OH 2.74Å; P200-Y204 WeakPolarHBondContact O-CB 3.4Å; P200-Y204 PolarHBondContact O-N 2.96Å; L201-Y204 WeakPolarHBondContact O-CB 3.34Å; L201-Y204 PolarHBondContact O-N 2.98Å; A202-Y204 VanDerWaalsContact C-N 3.29Å; A202-Y204 PolarHBondContact O-N 3.47Å; Y204-M206 VanDerWaalsContact C-N 3.35Å; Y204-F207 PolarHBondContact O-N 2.91Å; Y204-S208 VanDerWaalsContact CE1-OG 3.26Å; Y204-S208 WeakPolarHBondContact CE1-OG 3.49Å; Y204-S208 VanDerWaalsContact CZ-OG 3.25Å; Y204-S208 VanDerWaalsContact O-CB 3.29Å; Y204-S208 WeakPolarHBondContact O-CB 3.35Å; Y204-S208 PolarHBondContact O-N 3.19Å; Y204-S208 PolarHBondContact O-OG 3.35Å; Y204-S208 PolarHBondContact OH-OG 2.89Å |
| 205 | M | 96.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 177.2 | -70.9 | -178 | 71.5 | 0 | 0 | 111.9 | Y176 V180 L201 A202 V203 S208 E210 L214 L217 | Y176-M205 HydrophobicContact CD1-CE 3.85Å; Y176-M205 HydrophobicContact CD1-CG 3.97Å; Y176-M205 HydrophobicContact CD1-SD 3.7Å; Y176-M205 HydrophobicContact CD2-CE 4.34Å; Y176-M205 HydrophobicContact CE1-CE 4.47Å; Y176-M205 HydrophobicContact CE1-CG 3.88Å; Y176-M205 HydrophobicContact CE1-SD 4.25Å; Y176-M205 HydrophobicContact CG-CE 3.77Å; Y176-M205 HydrophobicContact CG-SD 4.22Å; V180-M205 HydrophobicContact CG2-SD 4.01Å; L201-M205 HydrophobicContact CD1-CG 4.11Å; L201-M205 HydrophobicContact CD1-SD 4.02Å; L201-M205 HydrophobicContact CG-SD 4.36Å; L201-M205 WeakPolarHBondContact O-CG 3.5Å; L201-M205 PolarHBondContact O-N 2.89Å; A202-M205 PolarHBondContact O-N 3.14Å; V203-M205 PolarHBondContact O-N 3.44Å; M205-S208 PolarHBondContact O-N 2.78Å; M205-E210 HydrophobicContact CB-CB 4.15Å; M205-E210 HydrophobicContact CE-CB 4.26Å; M205-E210 CarbonylContact O-C 3.56Å; M205-E210 WeakPolarHBondContact O-CA 3.42Å; M205-E210 WeakPolarHBondContact O-CB 3.34Å; M205-E210 PolarHBondContact O-N 2.79Å; M205-L214 HydrophobicContact CB-CB 4.34Å; M205-L214 HydrophobicContact CB-CD2 4.39Å; M205-L214 HydrophobicContact CE-CB 3.86Å; M205-L214 HydrophobicContact CE-CD1 4.33Å; M205-L214 HydrophobicContact SD-CB 4.34Å; M205-L214 HydrophobicContact SD-CD1 3.87Å; M205-L217 HydrophobicContact CE-CD1 4.42Å |
| 206 | M | 95.8 | Very high | 96.5 | Very high | 101 Ų | 101 | 65.3 Ų | 65.3 | 50% | 0.498 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.3 | -49.4 | 175.5 | -69.5 | 168.8 | 64.3 | 0 | 0 | 111.5 | A202 V203 Y204 S208 G209 L214 | A202-M206 VanDerWaalsContact O-CG 3.3Å; A202-M206 WeakPolarHBondContact O-CG 3.29Å; A202-M206 PolarHBondContact O-N 2.87Å; V203-M206 WeakPolarHBondContact O-CB 3.01Å; V203-M206 PolarHBondContact O-N 3.08Å; Y204-M206 VanDerWaalsContact C-N 3.35Å; M206-S208 VanDerWaalsContact C-N 3.3Å; M206-S208 PolarHBondContact O-N 3.43Å; M206-G209 PolarHBondContact O-N 2.69Å; M206-L214 HydrophobicContact CG-CD2 4.15Å |
| 207 | F | 93.9 | Very high | 96.5 | Very high | 178 Ų | 178 | 64.5 Ų | 64.5 | 78% | 0.781 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -73.3 | -20.3 | 179.6 | -72.7 | -61 | 0 | 0 | 0 | 114.1 | V203 Y204 G209 | V203-F207 HydrophobicContact CG1-CD2 3.57Å; V203-F207 HydrophobicContact CG1-CE2 3.44Å; V203-F207 VanDerWaalsContact CG1-CE2 3.44Å; V203-F207 VanDerWaalsContact O-CD2 3.22Å; V203-F207 WeakPolarHBondContact O-CD2 3.34Å; V203-F207 PolarHBondContact O-N 3.08Å; Y204-F207 PolarHBondContact O-N 2.91Å; F207-G209 VanDerWaalsContact C-N 3.25Å; F207-G209 PolarHBondContact O-N 3.34Å |
| 208 | S | 92.1 | Very high | 96.5 | Very high | 47 Ų | 47 | 67.7 Ų | 67.7 | 33% | 0.329 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 6.1 | 176.2 | -56.4 | 0 | 0 | 0 | 0 | 113.6 | Y204 M205 M206 E210 | Y204-S208 VanDerWaalsContact CE1-OG 3.26Å; Y204-S208 WeakPolarHBondContact CE1-OG 3.49Å; Y204-S208 VanDerWaalsContact CZ-OG 3.25Å; Y204-S208 VanDerWaalsContact O-CB 3.29Å; Y204-S208 WeakPolarHBondContact O-CB 3.35Å; Y204-S208 PolarHBondContact O-N 3.19Å; Y204-S208 PolarHBondContact O-OG 3.35Å; Y204-S208 PolarHBondContact OH-OG 2.89Å; M205-S208 PolarHBondContact O-N 2.78Å; M206-S208 VanDerWaalsContact C-N 3.3Å; M206-S208 PolarHBondContact O-N 3.43Å; S208-E210 VanDerWaalsContact C-N 3.28Å; S208-E210 PolarHBondContact O-N 3.23Å |
| 209 | G | 91.8 | Very high | 96.5 | Very high | 68 Ų | 68 | 72.6 Ų | 72.6 | 70% | 0.701 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 13 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | M206 F207 | M206-G209 PolarHBondContact O-N 2.69Å; F207-G209 VanDerWaalsContact C-N 3.25Å; F207-G209 PolarHBondContact O-N 3.34Å |
| 210 | E | 94 | Very high | 96.6 | Very high | 42 Ų | 42 | 72.2 Ų | 72.2 | 20% | 0.196 | 37% | 0.369 | C | S | . | . | trans | -98.8 | 20.3 | -175.5 | -64.9 | -72.1 | -170.4 | 0 | 0 | 112.6 | Y176 M205 S208 Y212 R213 L214 | Y176-E210 HydrophobicContact CE2-CG 4.29Å; M205-E210 HydrophobicContact CB-CB 4.15Å; M205-E210 HydrophobicContact CE-CB 4.26Å; M205-E210 CarbonylContact O-C 3.56Å; M205-E210 WeakPolarHBondContact O-CA 3.42Å; M205-E210 WeakPolarHBondContact O-CB 3.34Å; M205-E210 PolarHBondContact O-N 2.79Å; S208-E210 VanDerWaalsContact C-N 3.28Å; S208-E210 PolarHBondContact O-N 3.23Å; E210-Y212 PolarHBondContact O-N 3.39Å; E210-R213 VanDerWaalsContact CD-CZ 3.49Å; E210-R213 PolarHBondContact O-N 3.36Å; E210-R213 VanDerWaalsContact O-N 3.17Å; E210-R213 IonicContact OE1-CZ 3.06Å; E210-R213 IonicContact OE1-NH1 3.44Å; E210-R213 PolarHBondContact OE1-NH1 2.82Å; E210-R213 IonicContact OE1-NH2 3.88Å; E210-R213 WeakPolarHBondContact OE2-CD 3.38Å; E210-R213 IonicContact OE2-CZ 3.93Å; E210-R213 IonicContact OE2-NE 3.96Å; E210-R213 PolarHBondContact OE2-NE 3.01Å; E210-R213 IonicContact OE2-NH1 2.92Å; E210-R213 PolarHBondContact OE2-NH1 3.39Å; E210-R213 IonicContact OE2-NH2 3.29Å; E210-R213 PolarHBondContact OE2-NH2 3.03Å; E210-L214 PolarHBondContact O-N 2.79Å | ||
| 211 | M | 95.9 | Very high | 96.6 | Very high | 116 Ų | 116 | 73.5 Ų | 73.5 | 57% | 0.571 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -59.1 | -45.8 | -176.4 | -176.1 | -177.7 | 178.4 | 0 | 0 | 112.5 | R213 L214 V215 | M211-R213 VanDerWaalsContact C-N 3.29Å; M211-R213 PolarHBondContact O-N 3.38Å; M211-L214 WeakPolarHBondContact O-CB 3.45Å; M211-L214 PolarHBondContact O-N 2.8Å; M211-V215 WeakPolarHBondContact O-CG2 3.45Å; M211-V215 PolarHBondContact O-N 3.04Å |
| 212 | Y | 97.2 | Very high | 96.6 | Very high | 187 Ų | 187 | 77.3 Ų | 77.3 | 73% | 0.733 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -60.2 | -41.7 | 177.2 | 176.2 | -101 | 0 | 0 | 0 | 111.5 | E210 V215 K216 | E210-Y212 PolarHBondContact O-N 3.39Å; Y212-V215 PolarHBondContact O-N 2.98Å; Y212-K216 HydrophobicContact CE1-CD 4.47Å; Y212-K216 WeakPolarHBondContact O-CB 3.38Å; Y212-K216 PolarHBondContact O-N 3.45Å |
| 213 | R | 97.5 | Very high | 96.6 | Very high | 117 Ų | 117 | 83.2 Ų | 83.2 | 44% | 0.442 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 177 | -169.5 | 179.3 | -67.8 | 151.3 | 10.1 | 111.1 | E210 M211 K216 L217 | E210-R213 VanDerWaalsContact CD-CZ 3.49Å; E210-R213 PolarHBondContact O-N 3.36Å; E210-R213 VanDerWaalsContact O-N 3.17Å; E210-R213 IonicContact OE1-CZ 3.06Å; E210-R213 IonicContact OE1-NH1 3.44Å; E210-R213 PolarHBondContact OE1-NH1 2.82Å; E210-R213 IonicContact OE1-NH2 3.88Å; E210-R213 WeakPolarHBondContact OE2-CD 3.38Å; E210-R213 IonicContact OE2-CZ 3.93Å; E210-R213 IonicContact OE2-NE 3.96Å; E210-R213 PolarHBondContact OE2-NE 3.01Å; E210-R213 IonicContact OE2-NH1 2.92Å; E210-R213 PolarHBondContact OE2-NH1 3.39Å; E210-R213 IonicContact OE2-NH2 3.29Å; E210-R213 PolarHBondContact OE2-NH2 3.03Å; M211-R213 VanDerWaalsContact C-N 3.29Å; M211-R213 PolarHBondContact O-N 3.38Å; R213-K216 PolarHBondContact O-N 3.2Å; R213-L217 HydrophobicContact CG-CD1 4Å; R213-L217 HydrophobicContact CG-CG 4.36Å; R213-L217 WeakPolarHBondContact O-CB 3.28Å; R213-L217 WeakPolarHBondContact O-CG 3.23Å; R213-L217 PolarHBondContact O-N 3.33Å |
| 214 | L | 98.1 | Very high | 96.7 | Very high | 24 Ų | 24 | 84.3 Ų | 84.3 | 13% | 0.126 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -56.6 | -53.7 | 174.7 | 175.7 | 62.8 | 0 | 0 | 0 | 111 | V180 A202 M205 M206 E210 M211 K216 L217 V218 | V180-L214 HydrophobicContact CG2-CD1 4.09Å; A202-L214 HydrophobicContact CB-CD2 4.14Å; M205-L214 HydrophobicContact CB-CB 4.34Å; M205-L214 HydrophobicContact CB-CD2 4.39Å; M205-L214 HydrophobicContact CE-CB 3.86Å; M205-L214 HydrophobicContact CE-CD1 4.33Å; M205-L214 HydrophobicContact SD-CB 4.34Å; M205-L214 HydrophobicContact SD-CD1 3.87Å; M206-L214 HydrophobicContact CG-CD2 4.15Å; E210-L214 PolarHBondContact O-N 2.79Å; M211-L214 WeakPolarHBondContact O-CB 3.45Å; M211-L214 PolarHBondContact O-N 2.8Å; L214-K216 PolarHBondContact O-N 3.32Å; L214-L217 PolarHBondContact O-N 2.86Å; L214-V218 HydrophobicContact CD1-CG2 4.07Å; L214-V218 HydrophobicContact CG-CG2 4.48Å; L214-V218 WeakPolarHBondContact O-CG2 3.22Å; L214-V218 PolarHBondContact O-N 3.46Å |
| 215 | V | 98.2 | Very high | 96.9 | Very high | 72 Ų | 72 | 81.8 Ų | 81.8 | 44% | 0.436 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.4 | -46.6 | -179.4 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | M211 Y212 L217 V218 I219 | M211-V215 WeakPolarHBondContact O-CG2 3.45Å; M211-V215 PolarHBondContact O-N 3.04Å; Y212-V215 PolarHBondContact O-N 2.98Å; V215-L217 VanDerWaalsContact C-N 3.33Å; V215-L217 PolarHBondContact O-N 3.34Å; V215-V218 PolarHBondContact O-N 3.24Å; V215-I219 HydrophobicContact CG1-CD1 3.85Å; V215-I219 WeakPolarHBondContact O-CG1 3.29Å; V215-I219 PolarHBondContact O-N 2.88Å |
| 216 | K | 98.3 | Very high | 96.9 | Very high | 129 Ų | 129 | 83.1 Ų | 83.1 | 56% | 0.561 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -58.4 | -43.9 | 177 | -175.6 | 178.3 | 179.2 | 176.2 | 0 | 112.1 | Y212 R213 L214 L220 | Y212-K216 HydrophobicContact CE1-CD 4.47Å; Y212-K216 WeakPolarHBondContact O-CB 3.38Å; Y212-K216 PolarHBondContact O-N 3.45Å; R213-K216 PolarHBondContact O-N 3.2Å; L214-K216 PolarHBondContact O-N 3.32Å; K216-L220 WeakPolarHBondContact O-CB 3.24Å; K216-L220 PolarHBondContact O-N 3.48Å |
| 217 | L | 98.6 | Very high | 97 | Very high | 17 Ų | 17 | 80.9 Ų | 80.9 | 9% | 0.089 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -69 | -39.7 | 179.8 | -71.8 | 175.8 | 0 | 0 | 0 | 112.4 | F177 V180 M205 R213 L214 V215 L220 W221 | F177-L217 HydrophobicContact CB-CD2 4.1Å; F177-L217 HydrophobicContact CD2-CD2 3.75Å; F177-L217 HydrophobicContact CG-CD2 4.42Å; V180-L217 HydrophobicContact CB-CB 4.23Å; V180-L217 HydrophobicContact CG1-CB 4.04Å; V180-L217 HydrophobicContact CG2-CB 4.31Å; V180-L217 HydrophobicContact CG2-CD1 4.1Å; M205-L217 HydrophobicContact CE-CD1 4.42Å; R213-L217 HydrophobicContact CG-CD1 4Å; R213-L217 HydrophobicContact CG-CG 4.36Å; R213-L217 WeakPolarHBondContact O-CB 3.28Å; R213-L217 WeakPolarHBondContact O-CG 3.23Å; R213-L217 PolarHBondContact O-N 3.33Å; L214-L217 PolarHBondContact O-N 2.86Å; V215-L217 VanDerWaalsContact C-N 3.33Å; V215-L217 PolarHBondContact O-N 3.34Å; L217-L220 PolarHBondContact O-N 2.92Å; L217-W221 PolarHBondContact O-N 3.08Å |
| 218 | V | 98.3 | Very high | 97.2 | Very high | 68 Ų | 68 | 74.8 Ų | 74.8 | 41% | 0.412 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.4 | -49.2 | 175.3 | 169.2 | 0 | 0 | 0 | 0 | 110.3 | V180 L214 V215 L220 W221 M222 | V180-V218 HydrophobicContact CG1-CG2 4.1Å; L214-V218 HydrophobicContact CD1-CG2 4.07Å; L214-V218 HydrophobicContact CG-CG2 4.48Å; L214-V218 WeakPolarHBondContact O-CG2 3.22Å; L214-V218 PolarHBondContact O-N 3.46Å; V215-V218 PolarHBondContact O-N 3.24Å; V218-L220 VanDerWaalsContact C-N 3.33Å; V218-L220 PolarHBondContact O-N 2.66Å; V218-W221 PolarHBondContact O-N 3.35Å; V218-M222 HydrophobicContact CG1-CG 4.39Å; V218-M222 WeakPolarHBondContact O-CB 3.02Å; V218-M222 VanDerWaalsContact O-CG 3.23Å; V218-M222 WeakPolarHBondContact O-CG 3.46Å; V218-M222 PolarHBondContact O-N 3.22Å |
| 219 | I | 98.4 | Very high | 97.5 | Very high | 110 Ų | 110 | 72.5 Ų | 72.5 | 56% | 0.564 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -60.2 | -44.9 | 178.2 | -66.6 | 168.1 | 0 | 0 | 0 | 110.8 | V215 M222 F223 | V215-I219 HydrophobicContact CG1-CD1 3.85Å; V215-I219 WeakPolarHBondContact O-CG1 3.29Å; V215-I219 PolarHBondContact O-N 2.88Å; I219-M222 PolarHBondContact O-N 3.22Å; I219-F223 WeakPolarHBondContact O-CB 3.42Å; I219-F223 PolarHBondContact O-N 3.06Å |
| 220 | L | 98.4 | Very high | 97.8 | Very high | 68 Ų | 68 | 71.1 Ų | 71.1 | 36% | 0.356 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.6 | -48.6 | 179.3 | -179.1 | 64.5 | 0 | 0 | 0 | 111.9 | F177 K216 L217 V218 F223 L224 | F177-L220 HydrophobicContact CD2-CD2 4.23Å; F177-L220 HydrophobicContact CE2-CD2 3.76Å; K216-L220 WeakPolarHBondContact O-CB 3.24Å; K216-L220 PolarHBondContact O-N 3.48Å; L217-L220 PolarHBondContact O-N 2.92Å; V218-L220 VanDerWaalsContact C-N 3.33Å; V218-L220 PolarHBondContact O-N 2.66Å; L220-F223 PolarHBondContact O-N 2.91Å; L220-L224 HydrophobicContact CD1-CD1 4.34Å; L220-L224 HydrophobicContact CG-CD1 4.12Å; L220-L224 VanDerWaalsContact O-CG 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.31Å; L220-L224 PolarHBondContact O-N 2.92Å |
| 221 | W | 98.6 | Very high | 98 | Very high | 38 Ų | 38 | 75 Ų | 75 | 14% | 0.144 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.4 | -36.1 | 179.1 | -80 | 114 | 0 | 0 | 0 | 113 | F177 G181 A184 L217 V218 F223 L224 L225 | F177-W221 HydrophobicContact CD1-CZ2 4.11Å; F177-W221 HydrophobicContact CD2-CZ2 4.37Å; F177-W221 HydrophobicContact CE1-CH2 4.16Å; F177-W221 AromaticContact CE1-CZ2 3.58Å; F177-W221 HydrophobicContact CE1-CZ2 3.58Å; F177-W221 AromaticContact CE2-CE2 3.99Å; F177-W221 AromaticContact CE2-CZ2 3.86Å; F177-W221 HydrophobicContact CE2-CZ2 3.86Å; F177-W221 HydrophobicContact CG-CZ2 4.48Å; F177-W221 AromaticContact CZ-CH2 3.96Å; F177-W221 HydrophobicContact CZ-CH2 3.96Å; F177-W221 AromaticContact CZ-CZ2 3.43Å; F177-W221 HydrophobicContact CZ-CZ2 3.43Å; F177-W221 VanDerWaalsContact CZ-CZ2 3.43Å; F177-W221 PolarHBondContact O-NE1 3.01Å; G181-W221 VanDerWaalsContact CA-NE1 3.26Å; A184-W221 HydrophobicContact CB-CB 3.72Å; A184-W221 HydrophobicContact CB-CG 4.23Å; L217-W221 PolarHBondContact O-N 3.08Å; V218-W221 PolarHBondContact O-N 3.35Å; W221-F223 VanDerWaalsContact C-N 3.35Å; W221-L224 HydrophobicContact CE3-CB 4.45Å; W221-L224 HydrophobicContact CE3-CD1 4.11Å; W221-L224 HydrophobicContact CZ3-CD1 4.31Å; W221-L224 PolarHBondContact O-N 3.13Å; W221-L225 HydrophobicContact CE3-CD1 4.09Å; W221-L225 HydrophobicContact CE3-CG 4.16Å; W221-L225 WeakPolarHBondContact O-CB 3.3Å; W221-L225 WeakPolarHBondContact O-CG 3.48Å; W221-L225 PolarHBondContact O-N 3.39Å |
| 222 | M | 97.9 | Very high | 98.1 | Very high | 84 Ų | 84 | 71.2 Ų | 71.2 | 41% | 0.414 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 171.5 | -74.4 | -65.4 | -70.4 | 0 | 0 | 111 | L188 V218 I219 L224 L225 V226 | L188-M222 HydrophobicContact CD1-SD 3.67Å; L188-M222 HydrophobicContact CD2-SD 4.03Å; L188-M222 HydrophobicContact CG-SD 4.4Å; V218-M222 HydrophobicContact CG1-CG 4.39Å; V218-M222 WeakPolarHBondContact O-CB 3.02Å; V218-M222 VanDerWaalsContact O-CG 3.23Å; V218-M222 WeakPolarHBondContact O-CG 3.46Å; V218-M222 PolarHBondContact O-N 3.22Å; I219-M222 PolarHBondContact O-N 3.22Å; M222-L224 VanDerWaalsContact C-N 3.28Å; M222-L224 PolarHBondContact O-N 3.17Å; M222-L225 PolarHBondContact O-N 3.47Å; M222-V226 HydrophobicContact CE-CG2 3.59Å; M222-V226 VanDerWaalsContact O-CB 3.23Å; M222-V226 WeakPolarHBondContact O-CB 3.44Å; M222-V226 VanDerWaalsContact O-CG2 3.3Å; M222-V226 WeakPolarHBondContact O-CG2 3.3Å; M222-V226 PolarHBondContact O-N 3.42Å; M222-V226 HydrophobicContact SD-CG2 4.03Å |
| 223 | F | 98 | Very high | 98.1 | Very high | 154 Ų | 154 | 62.3 Ų | 62.3 | 68% | 0.675 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -63.3 | -32.4 | 177.2 | -175.9 | -96.6 | 0 | 0 | 0 | 112.9 | I219 L220 W221 P227 | I219-F223 WeakPolarHBondContact O-CB 3.42Å; I219-F223 PolarHBondContact O-N 3.06Å; L220-F223 PolarHBondContact O-N 2.91Å; W221-F223 VanDerWaalsContact C-N 3.35Å; F223-P227 WeakPolarHBondContact O-CD 3.1Å; F223-P227 WeakPolarHBondContact O-CG 3.22Å |
| 224 | L | 98.2 | Very high | 98.1 | Very high | 81 Ų | 81 | 57.8 Ų | 57.8 | 42% | 0.424 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -78.9 | -35.6 | 179 | -69.6 | 170.9 | 0 | 0 | 0 | 113.4 | L220 W221 M222 P228 | L220-L224 HydrophobicContact CD1-CD1 4.34Å; L220-L224 HydrophobicContact CG-CD1 4.12Å; L220-L224 VanDerWaalsContact O-CG 3.29Å; L220-L224 WeakPolarHBondContact O-CG 3.31Å; L220-L224 PolarHBondContact O-N 2.92Å; W221-L224 HydrophobicContact CE3-CB 4.45Å; W221-L224 HydrophobicContact CE3-CD1 4.11Å; W221-L224 HydrophobicContact CZ3-CD1 4.31Å; W221-L224 PolarHBondContact O-N 3.13Å; M222-L224 VanDerWaalsContact C-N 3.28Å; M222-L224 PolarHBondContact O-N 3.17Å; L224-P228 VanDerWaalsContact O-CD 3.31Å; L224-P228 WeakPolarHBondContact O-CD 3.3Å; L224-P228 WeakPolarHBondContact O-CG 3.18Å |
| 225 | L | 98.4 | Very high | 98.1 | Very high | 17 Ų | 17 | 61.8 Ų | 61.8 | 9% | 0.089 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -101.3 | -32.3 | -170 | -61.6 | 178.5 | 0 | 0 | 0 | 113.9 | A184 F185 L188 I189 W221 M222 P228 L229 | A184-L225 HydrophobicContact CB-CD1 4.03Å; F185-L225 HydrophobicContact CB-CD1 4.26Å; F185-L225 HydrophobicContact CD2-CD1 4.45Å; F185-L225 HydrophobicContact CD2-CD2 4.17Å; L188-L225 HydrophobicContact CD1-CB 3.85Å; L188-L225 HydrophobicContact CD1-CD1 4.07Å; I189-L225 HydrophobicContact CD1-CD2 3.91Å; W221-L225 HydrophobicContact CE3-CD1 4.09Å; W221-L225 HydrophobicContact CE3-CG 4.16Å; W221-L225 WeakPolarHBondContact O-CB 3.3Å; W221-L225 WeakPolarHBondContact O-CG 3.48Å; W221-L225 PolarHBondContact O-N 3.39Å; M222-L225 PolarHBondContact O-N 3.47Å; L225-P228 WeakPolarHBondContact O-CD 3.38Å; L225-P228 WeakPolarHBondContact O-CG 3.23Å; L225-L229 VanDerWaalsContact O-CB 3.23Å; L225-L229 WeakPolarHBondContact O-CB 3.43Å; L225-L229 PolarHBondContact O-N 2.67Å |
| 226 | V | 98.3 | Very high | 97.9 | Very high | 28 Ų | 28 | 59 Ų | 59 | 17% | 0.17 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.7 | -44 | -177.4 | 173.8 | 0 | 0 | 0 | 0 | 112.7 | L188 M222 L229 I230 | L188-V226 HydrophobicContact CD1-CG2 4.27Å; M222-V226 HydrophobicContact CE-CG2 3.59Å; M222-V226 VanDerWaalsContact O-CB 3.23Å; M222-V226 WeakPolarHBondContact O-CB 3.44Å; M222-V226 VanDerWaalsContact O-CG2 3.3Å; M222-V226 WeakPolarHBondContact O-CG2 3.3Å; M222-V226 PolarHBondContact O-N 3.42Å; M222-V226 HydrophobicContact SD-CG2 4.03Å; V226-L229 WeakPolarHBondContact O-CB 3.33Å; V226-L229 PolarHBondContact O-N 3.04Å; V226-I230 HydrophobicContact CG1-CD1 3.49Å; V226-I230 VanDerWaalsContact CG1-CD1 3.49Å; V226-I230 HydrophobicContact CG1-CG1 4.1Å; V226-I230 WeakPolarHBondContact O-CG1 3.01Å; V226-I230 PolarHBondContact O-N 2.96Å |
| 227 | P | 98.1 | Very high | 97.8 | Very high | 53 Ų | 53 | 53.1 Ų | 53.1 | 34% | 0.344 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.5 | -52.5 | 178.1 | -25 | 35.5 | 0 | 0 | 0 | 114.4 | F223 L229 I230 L231 | F223-P227 WeakPolarHBondContact O-CD 3.1Å; F223-P227 WeakPolarHBondContact O-CG 3.22Å; P227-L229 VanDerWaalsContact C-N 3.28Å; P227-L229 PolarHBondContact O-N 3.21Å; P227-I230 PolarHBondContact O-N 2.85Å; P227-L231 WeakPolarHBondContact O-CB 3.47Å; P227-L231 WeakPolarHBondContact O-CG 3.28Å; P227-L231 PolarHBondContact O-N 3.24Å |
| 228 | P | 98 | Very high | 97.7 | Very high | 50 Ų | 50 | 54.5 Ų | 54.5 | 33% | 0.325 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64 | -33.8 | 178.3 | 24.6 | -33.1 | 0 | 0 | 0 | 112.4 | L224 L225 L231 V232 | L224-P228 VanDerWaalsContact O-CD 3.31Å; L224-P228 WeakPolarHBondContact O-CD 3.3Å; L224-P228 WeakPolarHBondContact O-CG 3.18Å; L225-P228 WeakPolarHBondContact O-CD 3.38Å; L225-P228 WeakPolarHBondContact O-CG 3.23Å; P228-L231 PolarHBondContact O-N 3.48Å; P228-V232 WeakPolarHBondContact O-CB 3.13Å; P228-V232 WeakPolarHBondContact O-CG2 3.47Å; P228-V232 PolarHBondContact O-N 3.34Å |
| 229 | L | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.5 | -52.9 | 174.5 | 178.8 | 69.3 | 0 | 0 | 0 | 111.4 | S62 L64 L225 V226 P227 L231 D233 L242 P244 | S62-L229 VanDerWaalsContact OG-CD1 3.27Å; S62-L229 WeakPolarHBondContact OG-CD1 3.45Å; L64-L229 HydrophobicContact CB-CD1 4.2Å; L64-L229 HydrophobicContact CD2-CB 3.93Å; L64-L229 HydrophobicContact CD2-CD1 4.01Å; L225-L229 VanDerWaalsContact O-CB 3.23Å; L225-L229 WeakPolarHBondContact O-CB 3.43Å; L225-L229 PolarHBondContact O-N 2.67Å; V226-L229 WeakPolarHBondContact O-CB 3.33Å; V226-L229 PolarHBondContact O-N 3.04Å; P227-L229 VanDerWaalsContact C-N 3.28Å; P227-L229 PolarHBondContact O-N 3.21Å; L229-L231 PolarHBondContact O-N 2.73Å; L229-D233 VanDerWaalsContact CD1-OD2 3.26Å; L229-D233 WeakPolarHBondContact CD1-OD2 3.3Å; L229-D233 VanDerWaalsContact O-CB 3.3Å; L229-D233 WeakPolarHBondContact O-CB 3.49Å; L229-D233 PolarHBondContact O-N 3.12Å; L229-L242 HydrophobicContact CD2-CD1 3.71Å; L229-L242 HydrophobicContact CG-CD1 4.48Å; L229-P244 HydrophobicContact CD2-CG 3.78Å |
| 230 | I | 98.3 | Very high | 97.4 | Very high | 38 Ų | 38 | 58.8 Ų | 58.8 | 20% | 0.195 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.2 | -44.8 | 178 | -68.9 | 172.2 | 0 | 0 | 0 | 110.5 | V226 P227 S234 F240 L242 | V226-I230 HydrophobicContact CG1-CD1 3.49Å; V226-I230 VanDerWaalsContact CG1-CD1 3.49Å; V226-I230 HydrophobicContact CG1-CG1 4.1Å; V226-I230 WeakPolarHBondContact O-CG1 3.01Å; V226-I230 PolarHBondContact O-N 2.96Å; P227-I230 PolarHBondContact O-N 2.85Å; I230-S234 WeakPolarHBondContact O-CA 3.25Å; I230-S234 WeakPolarHBondContact O-CB 3.39Å; I230-S234 PolarHBondContact O-N 3.37Å; I230-S234 PolarHBondContact O-OG 3.21Å; I230-F240 HydrophobicContact CD1-CE2 3.96Å; I230-F240 HydrophobicContact CD1-CZ 3.88Å; I230-F240 HydrophobicContact CG1-CE2 4.38Å; I230-F240 HydrophobicContact CG1-CZ 4.4Å; I230-F240 HydrophobicContact CG2-CD2 3.85Å; I230-F240 HydrophobicContact CG2-CE2 3.51Å; I230-F240 HydrophobicContact CG2-CZ 4.31Å; I230-L242 HydrophobicContact CG1-CD1 4.2Å |
| 231 | L | 97.8 | Very high | 97.3 | Very high | 124 Ų | 124 | 55.7 Ų | 55.7 | 65% | 0.649 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -61.7 | -48.8 | -177.3 | -73.7 | 170.4 | 0 | 0 | 0 | 111.9 | P227 P228 L229 F235 | P227-L231 WeakPolarHBondContact O-CB 3.47Å; P227-L231 WeakPolarHBondContact O-CG 3.28Å; P227-L231 PolarHBondContact O-N 3.24Å; P228-L231 PolarHBondContact O-N 3.48Å; L229-L231 PolarHBondContact O-N 2.73Å; L231-F235 VanDerWaalsContact O-CB 3.23Å; L231-F235 WeakPolarHBondContact O-CB 3.48Å; L231-F235 PolarHBondContact O-N 3.21Å; L231-F235 VanDerWaalsContact O-N 3.11Å |
| 232 | V | 97.7 | Very high | 97.1 | Very high | 36 Ų | 36 | 56 Ų | 56 | 22% | 0.218 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.4 | -51.7 | -178.7 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | L64 P228 S234 F235 Y236 | L64-V232 HydrophobicContact CB-CB 4.23Å; L64-V232 HydrophobicContact CB-CG1 4.11Å; L64-V232 HydrophobicContact CD1-CB 4.45Å; L64-V232 HydrophobicContact CD1-CG2 4.13Å; P228-V232 WeakPolarHBondContact O-CB 3.13Å; P228-V232 WeakPolarHBondContact O-CG2 3.47Å; P228-V232 PolarHBondContact O-N 3.34Å; V232-S234 PolarHBondContact O-N 2.95Å; V232-F235 WeakPolarHBondContact O-CB 3.27Å; V232-F235 PolarHBondContact O-N 3.31Å; V232-Y236 HydrophobicContact CG1-CD2 4.01Å; V232-Y236 HydrophobicContact CG1-CE2 4.01Å; V232-Y236 VanDerWaalsContact O-CD2 3.31Å; V232-Y236 WeakPolarHBondContact O-CD2 3.46Å; V232-Y236 PolarHBondContact O-N 3.19Å |
| 233 | D | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.1 | -45.4 | -176.3 | -69.4 | -13.4 | 0 | 0 | 0 | 110.5 | S62 Y63 L64 L229 F235 Y236 F237 I241 | S62-D233 WeakPolarHBondContact CA-OD1 3.48Å; S62-D233 WeakPolarHBondContact CB-OD2 3.47Å; S62-D233 VanDerWaalsContact OG-CG 3.24Å; S62-D233 PolarHBondContact OG-OD1 2.87Å; S62-D233 PolarHBondContact OG-OD2 3.17Å; Y63-D233 PolarHBondContact N-OD1 3.21Å; L64-D233 PolarHBondContact N-OD1 3.38Å; L64-D233 VanDerWaalsContact N-OD1 3.14Å; L229-D233 VanDerWaalsContact CD1-OD2 3.26Å; L229-D233 WeakPolarHBondContact CD1-OD2 3.3Å; L229-D233 VanDerWaalsContact O-CB 3.3Å; L229-D233 WeakPolarHBondContact O-CB 3.49Å; L229-D233 PolarHBondContact O-N 3.12Å; D233-F235 VanDerWaalsContact C-N 3.25Å; D233-F235 PolarHBondContact O-N 3.26Å; D233-Y236 PolarHBondContact O-N 3.21Å; D233-F237 HydrophobicContact CB-CD2 4.13Å; D233-F237 HydrophobicContact CB-CE2 4.24Å; D233-F237 WeakPolarHBondContact O-CB 3.43Å; D233-F237 WeakPolarHBondContact O-CD2 3.5Å; D233-F237 PolarHBondContact O-N 3.17Å; D233-I241 HydrophobicContact CB-CB 4.34Å; D233-I241 HydrophobicContact CB-CG2 4.11Å |
| 234 | S | 97.6 | Very high | 96.9 | Very high | 23 Ų | 23 | 45.5 Ų | 45.5 | 16% | 0.161 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.3 | -29.8 | 179.3 | -51.3 | 0 | 0 | 0 | 0 | 112.9 | I230 V232 G238 R239 F240 I241 | I230-S234 WeakPolarHBondContact O-CA 3.25Å; I230-S234 WeakPolarHBondContact O-CB 3.39Å; I230-S234 PolarHBondContact O-N 3.37Å; I230-S234 PolarHBondContact O-OG 3.21Å; V232-S234 PolarHBondContact O-N 2.95Å; S234-G238 WeakPolarHBondContact O-CA 3.48Å; S234-G238 PolarHBondContact O-N 3.16Å; S234-R239 WeakPolarHBondContact CA-O 3.36Å; S234-R239 WeakPolarHBondContact CB-O 3.34Å; S234-R239 PolarHBondContact O-N 3.22Å; S234-R239 PolarHBondContact OG-O 2.86Å; S234-F240 WeakPolarHBondContact OG-CA 3.41Å; S234-I241 PolarHBondContact OG-N 3.43Å |
| 235 | F | 96.4 | Very high | 96.7 | Very high | 108 Ų | 108 | 47 Ų | 47 | 47% | 0.474 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.3 | -45.7 | 173.7 | 171.2 | -96.2 | 0 | 0 | 0 | 112 | L231 V232 D233 R489 | L231-F235 VanDerWaalsContact O-CB 3.23Å; L231-F235 WeakPolarHBondContact O-CB 3.48Å; L231-F235 PolarHBondContact O-N 3.21Å; L231-F235 VanDerWaalsContact O-N 3.11Å; V232-F235 WeakPolarHBondContact O-CB 3.27Å; V232-F235 PolarHBondContact O-N 3.31Å; D233-F235 VanDerWaalsContact C-N 3.25Å; D233-F235 PolarHBondContact O-N 3.26Å; F235-R489 PolarHBondContact O-NE 3.24Å; F235-R489 PolarHBondContact O-NH2 3.49Å |
| 236 | Y | 96 | Very high | 96.5 | Very high | 14 Ų | 14 | 47.9 Ų | 47.9 | 6% | 0.055 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -74 | -42 | -179.5 | -80.5 | -78.7 | 0 | 0 | 0 | 112.7 | I40 Y63 W67 V232 D233 G238 V484 T488 R489 | I40-Y236 HydrophobicContact CD1-CE1 4.45Å; I40-Y236 HydrophobicContact CG1-CE1 4.42Å; Y63-Y236 HydrophobicContact CD1-CD1 4Å; Y63-Y236 HydrophobicContact CD1-CD2 4.16Å; Y63-Y236 HydrophobicContact CD1-CE1 4.47Å; Y63-Y236 AromaticContact CD1-CG 3.83Å; Y63-Y236 HydrophobicContact CD1-CG 3.83Å; Y63-Y236 HydrophobicContact CD2-CD2 4.25Å; Y63-Y236 AromaticContact CD2-CG 3.83Å; Y63-Y236 HydrophobicContact CD2-CG 3.83Å; Y63-Y236 HydrophobicContact CE1-CD1 4.13Å; Y63-Y236 HydrophobicContact CE1-CG 4.26Å; Y63-Y236 VanDerWaalsContact CE2-CB 3.47Å; Y63-Y236 HydrophobicContact CE2-CG 4.22Å; Y63-Y236 HydrophobicContact CG-CD1 4.24Å; Y63-Y236 AromaticContact CG-CD2 3.74Å; Y63-Y236 HydrophobicContact CG-CD2 3.74Å; Y63-Y236 AromaticContact CG-CG 3.59Å; Y63-Y236 HydrophobicContact CG-CG 3.59Å; W67-Y236 VanDerWaalsContact CZ2-OH 3.24Å; W67-Y236 WeakPolarHBondContact CZ2-OH 3.46Å; W67-Y236 AromaticContact NE1-CE2 3.35Å; W67-Y236 VanDerWaalsContact NE1-CE2 3.35Å; W67-Y236 AromaticContact NE1-CZ 3.45Å; W67-Y236 PolarHBondContact NE1-OH 3.28Å; V232-Y236 HydrophobicContact CG1-CD2 4.01Å; V232-Y236 HydrophobicContact CG1-CE2 4.01Å; V232-Y236 VanDerWaalsContact O-CD2 3.31Å; V232-Y236 WeakPolarHBondContact O-CD2 3.46Å; V232-Y236 PolarHBondContact O-N 3.19Å; D233-Y236 PolarHBondContact O-N 3.21Å; Y236-G238 VanDerWaalsContact C-N 3.32Å; Y236-V484 HydrophobicContact CE1-CG2 3.84Å; Y236-T488 HydrophobicContact CD1-CG2 4Å; Y236-T488 CarbonylContact O-C 3.41Å; Y236-T488 WeakPolarHBondContact O-CB 3.28Å; Y236-T488 PolarHBondContact O-OG1 3.5Å; Y236-R489 VanDerWaalsContact O-CG 3.23Å; Y236-R489 WeakPolarHBondContact O-CG 3.3Å |
| 237 | F | 95.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.018 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -77.2 | -18 | 178.6 | -70.1 | -66.5 | 0 | 0 | 0 | 113.4 | Y54 P56 R61 Y63 D233 R239 I241 | Y54-F237 VanDerWaalsContact O-CE1 3.27Å; Y54-F237 WeakPolarHBondContact O-CE1 3.06Å; P56-F237 HydrophobicContact CG-CD1 4.46Å; R61-F237 WeakPolarHBondContact O-CE2 3.32Å; R61-F237 VanDerWaalsContact O-CZ 3.26Å; R61-F237 WeakPolarHBondContact O-CZ 3.18Å; Y63-F237 HydrophobicContact CD2-CD2 4.13Å; Y63-F237 HydrophobicContact CD2-CE1 4.48Å; Y63-F237 AromaticContact CD2-CE2 3.68Å; Y63-F237 HydrophobicContact CD2-CE2 3.68Å; Y63-F237 AromaticContact CD2-CZ 3.9Å; Y63-F237 HydrophobicContact CD2-CZ 3.9Å; Y63-F237 HydrophobicContact CE2-CD1 4.13Å; Y63-F237 HydrophobicContact CE2-CD2 4.22Å; Y63-F237 AromaticContact CE2-CE1 3.8Å; Y63-F237 HydrophobicContact CE2-CE1 3.8Å; Y63-F237 AromaticContact CE2-CE2 3.83Å; Y63-F237 HydrophobicContact CE2-CE2 3.83Å; Y63-F237 HydrophobicContact CE2-CG 4.35Å; Y63-F237 AromaticContact CE2-CZ 3.61Å; Y63-F237 HydrophobicContact CE2-CZ 3.61Å; D233-F237 HydrophobicContact CB-CD2 4.13Å; D233-F237 HydrophobicContact CB-CE2 4.24Å; D233-F237 WeakPolarHBondContact O-CB 3.43Å; D233-F237 WeakPolarHBondContact O-CD2 3.5Å; D233-F237 PolarHBondContact O-N 3.17Å; F237-R239 PolarHBondContact O-N 2.99Å; F237-I241 HydrophobicContact CB-CG1 3.69Å; F237-I241 HydrophobicContact CD2-CB 3.89Å; F237-I241 HydrophobicContact CD2-CG1 3.66Å; F237-I241 HydrophobicContact CD2-CG2 3.76Å; F237-I241 HydrophobicContact CE2-CG2 3.91Å; F237-I241 HydrophobicContact CG-CG1 3.82Å |
| 238 | G | 95 | Very high | 95.9 | Very high | 46 Ų | 46 | 46.4 Ų | 46.4 | 47% | 0.474 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 75 | 10.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | S234 Y236 | S234-G238 WeakPolarHBondContact O-CA 3.48Å; S234-G238 PolarHBondContact O-N 3.16Å; Y236-G238 VanDerWaalsContact C-N 3.32Å |
| 239 | R | 94.9 | Very high | 95.5 | Very high | 118 Ų | 118 | 50.1 Ų | 50.1 | 45% | 0.445 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -150 | 163.5 | 176.6 | 71.7 | -179.7 | -146.7 | -169.2 | -5.2 | 109.8 | P56 S57 S234 F237 I241 | P56-R239 PolarHBondContact O-NE 2.78Å; P56-R239 VanDerWaalsContact O-NE 3.14Å; P56-R239 PolarHBondContact O-NH1 3.47Å; P56-R239 PolarHBondContact O-NH2 3.4Å; S57-R239 PolarHBondContact O-NH1 3.45Å; S57-R239 PolarHBondContact O-NH2 3.13Å; S234-R239 WeakPolarHBondContact CA-O 3.36Å; S234-R239 WeakPolarHBondContact CB-O 3.34Å; S234-R239 PolarHBondContact O-N 3.22Å; S234-R239 PolarHBondContact OG-O 2.86Å; F237-R239 PolarHBondContact O-N 2.99Å; R239-I241 HydrophobicContact CG-CD1 4.07Å; R239-I241 HydrophobicContact CG-CG1 4.05Å; R239-I241 PolarHBondContact O-N 3.42Å; R239-I241 VanDerWaalsContact O-N 3.16Å |
| 240 | F | 96.6 | Very high | 94.9 | Very high | 151 Ų | 151 | 52.3 Ų | 52.3 | 66% | 0.662 | 26% | 0.255 | S | S | * | . | trans | -59.4 | 119.3 | 177.1 | -176.6 | -90.4 | 0 | 0 | 0 | 111.2 | I230 S234 | I230-F240 HydrophobicContact CD1-CE2 3.96Å; I230-F240 HydrophobicContact CD1-CZ 3.88Å; I230-F240 HydrophobicContact CG1-CE2 4.38Å; I230-F240 HydrophobicContact CG1-CZ 4.4Å; I230-F240 HydrophobicContact CG2-CD2 3.85Å; I230-F240 HydrophobicContact CG2-CE2 3.51Å; I230-F240 HydrophobicContact CG2-CZ 4.31Å; S234-F240 WeakPolarHBondContact OG-CA 3.41Å | ||
| 241 | I | 95.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 52.5 Ų | 52.5 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | trans | -131.2 | 135.9 | 179.5 | -68.5 | -65.1 | 0 | 0 | 0 | 110.5 | D233 S234 F237 R239 A243 | D233-I241 HydrophobicContact CB-CB 4.34Å; D233-I241 HydrophobicContact CB-CG2 4.11Å; S234-I241 PolarHBondContact OG-N 3.43Å; F237-I241 HydrophobicContact CB-CG1 3.69Å; F237-I241 HydrophobicContact CD2-CB 3.89Å; F237-I241 HydrophobicContact CD2-CG1 3.66Å; F237-I241 HydrophobicContact CD2-CG2 3.76Å; F237-I241 HydrophobicContact CE2-CG2 3.91Å; F237-I241 HydrophobicContact CG-CG1 3.82Å; R239-I241 HydrophobicContact CG-CD1 4.07Å; R239-I241 HydrophobicContact CG-CG1 4.05Å; R239-I241 PolarHBondContact O-N 3.42Å; R239-I241 VanDerWaalsContact O-N 3.16Å; I241-A243 HydrophobicContact CG2-CB 4.27Å | ||
| 242 | L | 95.9 | Very high | 93.4 | Very high | 45 Ų | 45 | 51.7 Ų | 51.7 | 24% | 0.236 | 25% | 0.252 | C | S | . | . | trans | -123.4 | 83.6 | 164.6 | -175.6 | 62.7 | 0 | 0 | 0 | 108.1 | L229 I230 P244 F245 N246 | L229-L242 HydrophobicContact CD2-CD1 3.71Å; L229-L242 HydrophobicContact CG-CD1 4.48Å; I230-L242 HydrophobicContact CG1-CD1 4.2Å; L242-P244 HydrophobicContact CD1-CG 4.14Å; L242-P244 HydrophobicContact CG-CG 4.36Å; L242-F245 HydrophobicContact CB-CB 4.18Å; L242-F245 HydrophobicContact CD2-CB 3.65Å; L242-F245 HydrophobicContact CD2-CG 4.43Å; L242-F245 HydrophobicContact CG-CB 3.76Å; L242-F245 WeakPolarHBondContact O-CB 3.28Å; L242-F245 PolarHBondContact O-N 2.86Å; L242-N246 PolarHBondContact O-N 3.31Å | ||
| 243 | A | 95 | Very high | 92.4 | Very high | 3 Ų | 3 | 56.2 Ų | 56.2 | 3% | 0.025 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -49.3 | -48.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.9 | I241 F245 N246 I247 | I241-A243 HydrophobicContact CG2-CB 4.27Å; A243-F245 VanDerWaalsContact C-N 3.26Å; A243-F245 PolarHBondContact O-N 3.17Å; A243-N246 PolarHBondContact O-N 2.78Å; A243-N246 VanDerWaalsContact O-N 3.13Å; A243-I247 WeakPolarHBondContact O-CG2 3.49Å; A243-I247 PolarHBondContact O-N 3.14Å |
| 244 | P | 95.6 | Very high | 90.7 | Very high | 14 Ų | 14 | 58.7 Ų | 58.7 | 9% | 0.091 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.6 | -30.4 | 179.2 | 25.6 | -36.7 | 0 | 0 | 0 | 113 | L188 P192 L229 L242 I247 V248 | L188-P244 WeakPolarHBondContact O-CG 3.18Å; P192-P244 HydrophobicContact CB-CB 4.38Å; P192-P244 HydrophobicContact CG-CB 4.35Å; L229-P244 HydrophobicContact CD2-CG 3.78Å; L242-P244 HydrophobicContact CD1-CG 4.14Å; L242-P244 HydrophobicContact CG-CG 4.36Å; P244-I247 WeakPolarHBondContact O-CG2 3.4Å; P244-V248 WeakPolarHBondContact O-CB 3.25Å; P244-V248 WeakPolarHBondContact O-CG2 2.95Å; P244-V248 PolarHBondContact O-N 3.33Å |
| 245 | F | 94.9 | Very high | 88.6 | Confident | 113 Ų | 113 | 64.6 Ų | 64.6 | 50% | 0.496 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -72.1 | -43.2 | 173.9 | 176.4 | -99.5 | 0 | 0 | 0 | 111.1 | L242 A243 I247 V248 R249 | L242-F245 HydrophobicContact CB-CB 4.18Å; L242-F245 HydrophobicContact CD2-CB 3.65Å; L242-F245 HydrophobicContact CD2-CG 4.43Å; L242-F245 HydrophobicContact CG-CB 3.76Å; L242-F245 WeakPolarHBondContact O-CB 3.28Å; L242-F245 PolarHBondContact O-N 2.86Å; A243-F245 VanDerWaalsContact C-N 3.26Å; A243-F245 PolarHBondContact O-N 3.17Å; F245-I247 PolarHBondContact O-N 3.5Å; F245-V248 PolarHBondContact O-N 2.82Å; F245-R249 VanDerWaalsContact O-CB 3.26Å; F245-R249 WeakPolarHBondContact O-CB 3.32Å; F245-R249 PolarHBondContact O-N 3.43Å |
| 246 | N | 93.8 | Very high | 86.6 | Confident | 35 Ų | 35 | 61.4 Ų | 61.4 | 19% | 0.187 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61 | -45.2 | 179.5 | -67.5 | -13 | 0 | 0 | 0 | 111.8 | G59 L60 L242 A243 R249 Y250 | G59-N246 PolarHBondContact O-ND2 3.37Å; L60-N246 HydrophobicContact CD2-CB 3.88Å; L242-N246 PolarHBondContact O-N 3.31Å; A243-N246 PolarHBondContact O-N 2.78Å; A243-N246 VanDerWaalsContact O-N 3.13Å; N246-R249 PolarHBondContact O-N 3.07Å; N246-Y250 VanDerWaalsContact O-CB 3.31Å; N246-Y250 WeakPolarHBondContact O-CB 3.49Å; N246-Y250 PolarHBondContact O-N 2.93Å |
| 247 | I | 92.2 | Very high | 84.4 | Confident | 11 Ų | 11 | 70.4 Ų | 70.4 | 6% | 0.056 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.9 | -37.8 | 178.7 | -166.7 | 172 | 0 | 0 | 0 | 112.6 | L60 P192 F193 A243 P244 F245 N251 | L60-I247 HydrophobicContact CD2-CB 4.43Å; P192-I247 HydrophobicContact CG-CG2 3.52Å; F193-I247 HydrophobicContact CE2-CG1 4.49Å; A243-I247 WeakPolarHBondContact O-CG2 3.49Å; A243-I247 PolarHBondContact O-N 3.14Å; P244-I247 WeakPolarHBondContact O-CG2 3.4Å; F245-I247 PolarHBondContact O-N 3.5Å; I247-N251 PolarHBondContact O-N 3.19Å; I247-N251 VanDerWaalsContact O-N 3.1Å; I247-N251 PolarHBondContact O-ND2 3.43Å |
| 248 | V | 91.6 | Very high | 82.1 | Confident | 40 Ų | 40 | 78.8 Ų | 78.8 | 24% | 0.242 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 174.3 | 169.6 | 0 | 0 | 0 | 0 | 110.1 | P192 F193 P244 F245 Y250 N251 L252 | P192-V248 HydrophobicContact CB-CG2 3.67Å; P192-V248 HydrophobicContact CG-CG2 3.83Å; F193-V248 HydrophobicContact CE1-CG2 4.14Å; F193-V248 HydrophobicContact CZ-CG2 4.38Å; P244-V248 WeakPolarHBondContact O-CB 3.25Å; P244-V248 WeakPolarHBondContact O-CG2 2.95Å; P244-V248 PolarHBondContact O-N 3.33Å; F245-V248 PolarHBondContact O-N 2.82Å; V248-Y250 VanDerWaalsContact C-N 3.34Å; V248-Y250 PolarHBondContact O-N 2.91Å; V248-N251 PolarHBondContact O-N 2.91Å; V248-L252 HydrophobicContact CG1-CD1 3.57Å; V248-L252 HydrophobicContact CG1-CG 4.19Å; V248-L252 WeakPolarHBondContact O-CB 3.45Å; V248-L252 WeakPolarHBondContact O-CG 3.41Å; V248-L252 PolarHBondContact O-N 3.36Å |
| 249 | R | 89 | Confident | 79.9 | Confident | 128 Ų | 128 | 81.7 Ų | 81.7 | 48% | 0.483 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 177.7 | -177.6 | 179.9 | 177.8 | -176.7 | -0.2 | 111.5 | F245 N246 F253 | F245-R249 VanDerWaalsContact O-CB 3.26Å; F245-R249 WeakPolarHBondContact O-CB 3.32Å; F245-R249 PolarHBondContact O-N 3.43Å; N246-R249 PolarHBondContact O-N 3.07Å; R249-F253 HydrophobicContact CG-CD2 4.41Å; R249-F253 WeakPolarHBondContact O-CA 3.22Å; R249-F253 WeakPolarHBondContact O-CB 3.44Å; R249-F253 PolarHBondContact O-N 3.42Å |
| 250 | Y | 85.5 | Confident | 77.6 | Confident | 46 Ų | 46 | 82.5 Ų | 82.5 | 18% | 0.18 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 179.3 | 175.6 | -100 | 0 | 0 | 0 | 112.6 | W52 L60 N246 V248 A263 | W52-Y250 HydrophobicContact CH2-CD1 4.43Å; W52-Y250 HydrophobicContact CH2-CD2 4.23Å; W52-Y250 AromaticContact CH2-CE1 3.83Å; W52-Y250 HydrophobicContact CH2-CE1 3.83Å; W52-Y250 AromaticContact CH2-CE2 3.6Å; W52-Y250 HydrophobicContact CH2-CE2 3.6Å; W52-Y250 AromaticContact CH2-CZ 3.36Å; W52-Y250 WeakPolarHBondContact CH2-OH 3.38Å; W52-Y250 HydrophobicContact CZ2-CE1 4.25Å; W52-Y250 AromaticContact CZ2-CZ 3.93Å; W52-Y250 HydrophobicContact CZ3-CE2 4.22Å; L60-Y250 HydrophobicContact CD1-CD1 4.48Å; L60-Y250 HydrophobicContact CD1-CG 4.44Å; L60-Y250 HydrophobicContact CD2-CG 4.5Å; N246-Y250 VanDerWaalsContact O-CB 3.31Å; N246-Y250 WeakPolarHBondContact O-CB 3.49Å; N246-Y250 PolarHBondContact O-N 2.93Å; V248-Y250 VanDerWaalsContact C-N 3.34Å; V248-Y250 PolarHBondContact O-N 2.91Å; Y250-A263 HydrophobicContact CD1-CB 4.16Å; Y250-A263 HydrophobicContact CD2-CB 4.39Å; Y250-A263 HydrophobicContact CE1-CB 3.54Å; Y250-A263 HydrophobicContact CE2-CB 3.79Å |
| 251 | N | 85 | Confident | 75.6 | Confident | 41 Ų | 41 | 76.4 Ų | 76.4 | 22% | 0.219 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -78.3 | -36.1 | -177.3 | -75.9 | -79.8 | 0 | 0 | 0 | 113.4 | F193 I247 V248 S262 | F193-N251 HydrophobicContact CZ-CB 3.87Å; I247-N251 PolarHBondContact O-N 3.19Å; I247-N251 VanDerWaalsContact O-N 3.1Å; I247-N251 PolarHBondContact O-ND2 3.43Å; V248-N251 PolarHBondContact O-N 2.91Å; N251-S262 PolarHBondContact O-OG 3.2Å |
| 252 | L | 79.6 | Confident | 73.8 | Confident | 108 Ų | 108 | 77.3 Ų | 77.3 | 57% | 0.565 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -89.2 | -28.9 | -175.9 | -63.5 | -175.8 | 0 | 0 | 0 | 113.8 | V248 P254 | V248-L252 HydrophobicContact CG1-CD1 3.57Å; V248-L252 HydrophobicContact CG1-CG 4.19Å; V248-L252 WeakPolarHBondContact O-CB 3.45Å; V248-L252 WeakPolarHBondContact O-CG 3.41Å; V248-L252 PolarHBondContact O-N 3.36Å; L252-P254 WeakPolarHBondContact O-CD 3.25Å |
| 253 | F | 77.6 | Confident | 72.5 | Confident | 131 Ų | 131 | 75.2 Ų | 75.2 | 58% | 0.575 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -122.4 | 69.2 | -179 | -54.5 | -76.3 | 0 | 0 | 0 | 110.4 | R249 H255 | R249-F253 HydrophobicContact CG-CD2 4.41Å; R249-F253 WeakPolarHBondContact O-CA 3.22Å; R249-F253 WeakPolarHBondContact O-CB 3.44Å; R249-F253 PolarHBondContact O-N 3.42Å; F253-H255 PolarHBondContact O-N 2.89Å; F253-H255 VanDerWaalsContact O-N 3.13Å |
| 254 | P | 61.4 | Low | 71.5 | Confident | 52 Ų | 52 | 75.7 Ų | 75.7 | 34% | 0.338 | 38% | 0.379 | S | S | . | . | trans | -62.7 | 117.9 | 176.8 | 27 | -34 | 0 | 0 | 0 | 109.6 | L252 I256 G261 A263 | L252-P254 WeakPolarHBondContact O-CD 3.25Å; P254-I256 VanDerWaalsContact C-N 3.27Å; P254-G261 VanDerWaalsContact CB-O 3.28Å; P254-G261 WeakPolarHBondContact CB-O 3.34Å; P254-G261 WeakPolarHBondContact CG-O 3.41Å; P254-A263 HydrophobicContact CB-CB 4.45Å | ||
| 255 | H | 53.8 | Low | 70.8 | Confident | 146 Ų | 146 | 78.2 Ų | 78.2 | 68% | 0.676 | 39% | 0.39 | S | S | * | . | trans | -91.7 | 20.1 | 171.3 | -74.2 | -68.3 | 0 | 0 | 0 | 112.3 | F253 K257 | F253-H255 PolarHBondContact O-N 2.89Å; F253-H255 VanDerWaalsContact O-N 3.13Å; H255-K257 PolarHBondContact O-N 2.82Å; H255-K257 VanDerWaalsContact O-N 3.13Å | ||
| 256 | I | 54.2 | Low | 69.9 | Low | 42 Ų | 42 | 74.7 Ų | 74.7 | 22% | 0.215 | 38% | 0.376 | C | S | . | . | trans | -67.9 | 115.8 | -174.5 | -58.3 | 179.2 | 0 | 0 | 0 | 108.9 | P254 Q258 Q259 A263 L266 | P254-I256 VanDerWaalsContact C-N 3.27Å; I256-Q258 PolarHBondContact O-N 3.35Å; I256-Q258 VanDerWaalsContact O-N 3.13Å; I256-Q259 HydrophobicContact CG2-CB 4.2Å; I256-A263 HydrophobicContact CD1-CB 3.75Å; I256-L266 HydrophobicContact CD1-CD1 3.63Å | ||
| 257 | K | 49.1 | Very low | 69.4 | Low | 203 Ų | 203 | 77.8 Ų | 77.8 | 88% | 0.883 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -11.5 | -172.5 | -72.4 | -179.2 | 178.2 | 176.9 | 0 | 114.4 | H255 | H255-K257 PolarHBondContact O-N 2.82Å; H255-K257 VanDerWaalsContact O-N 3.13Å |
| 258 | Q | 48.5 | Very low | 69.1 | Low | 179 Ų | 179 | 79 Ų | 79 | 84% | 0.836 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.1 | 4.1 | -170.3 | -67.2 | -173.3 | -8.1 | 0 | 0 | 115.7 | I256 | I256-Q258 PolarHBondContact O-N 3.35Å; I256-Q258 VanDerWaalsContact O-N 3.13Å |
| 259 | Q | 49.3 | Very low | 69 | Low | 108 Ų | 108 | 81.1 Ų | 81.1 | 51% | 0.505 | 41% | 0.414 | S | S | . | . | trans | -133.1 | 123.9 | 172.7 | -81.6 | -177.4 | -9.9 | 0 | 0 | 111.3 | I256 G261 | I256-Q259 HydrophobicContact CG2-CB 4.2Å; Q259-G261 PolarHBondContact O-N 3.39Å | ||
| 260 | S | 45.9 | Very low | 69.1 | Low | 134 Ų | 134 | 79.3 Ų | 79.3 | 94% | 0.937 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -73.1 | 85.7 | 171.6 | -45 | 0 | 0 | 0 | 0 | 109.6 | ||
| 261 | G | 54.2 | Low | 69.4 | Low | 23 Ų | 23 | 80.8 Ų | 80.8 | 24% | 0.237 | 43% | 0.426 | C | S | . | . | S | Bend | trans | 173.1 | 173 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | P254 Q259 | P254-G261 VanDerWaalsContact CB-O 3.28Å; P254-G261 WeakPolarHBondContact CB-O 3.34Å; P254-G261 WeakPolarHBondContact CG-O 3.41Å; Q259-G261 PolarHBondContact O-N 3.39Å |
| 262 | S | 58 | Low | 69.8 | Low | 22 Ų | 22 | 83.7 Ų | 83.7 | 15% | 0.154 | 44% | 0.441 | C | S | . | . | trans | -61.5 | 140.8 | 169.7 | 174.2 | 0 | 0 | 0 | 0 | 109.9 | N251 S264 Q265 | N251-S262 PolarHBondContact O-OG 3.2Å; S262-S264 WeakPolarHBondContact CB-OG 3.36Å; S262-S264 PolarHBondContact O-N 3.37Å; S262-S264 PolarHBondContact OG-N 3.17Å; S262-S264 PolarHBondContact OG-OG 3.02Å; S262-Q265 WeakPolarHBondContact O-CB 3.12Å; S262-Q265 WeakPolarHBondContact O-CG 3.04Å; S262-Q265 PolarHBondContact O-N 2.82Å | ||
| 263 | A | 68.4 | Low | 70.3 | Confident | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -56.8 | -23.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y250 P254 I256 Q265 L266 | Y250-A263 HydrophobicContact CD1-CB 4.16Å; Y250-A263 HydrophobicContact CD2-CB 4.39Å; Y250-A263 HydrophobicContact CE1-CB 3.54Å; Y250-A263 HydrophobicContact CE2-CB 3.79Å; P254-A263 HydrophobicContact CB-CB 4.45Å; I256-A263 HydrophobicContact CD1-CB 3.75Å; A263-Q265 PolarHBondContact O-N 2.84Å; A263-L266 PolarHBondContact O-N 3.32Å |
| 264 | S | 73.6 | Confident | 71 | Confident | 13 Ų | 13 | 77.4 Ų | 77.4 | 9% | 0.091 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -65.8 | -18.9 | 174.2 | 64 | 0 | 0 | 0 | 0 | 114.4 | S262 L266 Y267 H347 | S262-S264 WeakPolarHBondContact CB-OG 3.36Å; S262-S264 PolarHBondContact O-N 3.37Å; S262-S264 PolarHBondContact OG-N 3.17Å; S262-S264 PolarHBondContact OG-OG 3.02Å; S264-L266 PolarHBondContact O-N 3.2Å; S264-Y267 PolarHBondContact O-N 2.92Å; S264-H347 PolarHBondContact O-CD2 3.37Å |
| 265 | Q | 80.1 | Confident | 72.6 | Confident | 68 Ų | 68 | 75 Ų | 75 | 32% | 0.318 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -72.1 | -18.3 | -178.5 | -64.7 | -178.9 | 5.4 | 0 | 0 | 113.1 | S262 A263 Y267 G268 T269 S346 | S262-Q265 WeakPolarHBondContact O-CB 3.12Å; S262-Q265 WeakPolarHBondContact O-CG 3.04Å; S262-Q265 PolarHBondContact O-N 2.82Å; A263-Q265 PolarHBondContact O-N 2.84Å; Q265-Y267 PolarHBondContact O-N 2.71Å; Q265-Y267 VanDerWaalsContact O-N 3.15Å; Q265-G268 PolarHBondContact O-N 3.39Å; Q265-G268 VanDerWaalsContact O-N 3.1Å; Q265-T269 HydrophobicContact CB-CG2 4.41Å; Q265-T269 HydrophobicContact CG-CG2 4.31Å; Q265-S346 VanDerWaalsContact CG-OG 3.32Å; Q265-S346 WeakPolarHBondContact CG-OG 3.27Å; Q265-S346 PolarHBondContact NE2-OG 3.34Å |
| 266 | L | 77.8 | Confident | 74.5 | Confident | 38 Ų | 38 | 72.3 Ų | 72.3 | 20% | 0.199 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -57.5 | -26.7 | 175.4 | -97.9 | 88.1 | 0 | 0 | 0 | 113.3 | I256 A263 S264 G268 E498 N499 | I256-L266 HydrophobicContact CD1-CD1 3.63Å; A263-L266 PolarHBondContact O-N 3.32Å; S264-L266 PolarHBondContact O-N 3.2Å; L266-G268 VanDerWaalsContact C-N 3.35Å; L266-E498 WeakPolarHBondContact CD2-O 3.3Å; L266-N499 HydrophobicContact CD2-CB 3.89Å |
| 267 | Y | 82.1 | Confident | 76.2 | Confident | 100 Ų | 100 | 74.5 Ų | 74.5 | 39% | 0.392 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -93.6 | 4.3 | -176.3 | -55 | -74.4 | 0 | 0 | 0 | 112.9 | W52 S264 Q265 N499 | W52-Y267 PolarHBondContact NE1-OH 2.82Å; S264-Y267 PolarHBondContact O-N 2.92Å; Q265-Y267 PolarHBondContact O-N 2.71Å; Q265-Y267 VanDerWaalsContact O-N 3.15Å; Y267-N499 HydrophobicContact CE1-CB 4.1Å |
| 268 | G | 85.6 | Confident | 78.3 | Confident | 36 Ų | 36 | 65.1 Ų | 65.1 | 37% | 0.371 | 36% | 0.357 | S | S | . | . | trans | 112.9 | 170 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q265 L266 H347 | Q265-G268 PolarHBondContact O-N 3.39Å; Q265-G268 VanDerWaalsContact O-N 3.1Å; L266-G268 VanDerWaalsContact C-N 3.35Å; G268-H347 PolarHBondContact O-CD2 2.89Å; G268-H347 VanDerWaalsContact O-CD2 3.26Å | ||
| 269 | T | 89.7 | Confident | 80.5 | Confident | 85 Ų | 85 | 57.8 Ų | 57.8 | 52% | 0.521 | 32% | 0.322 | S | S | . | . | trans | -137.7 | 144.2 | 177.7 | 61.8 | 0 | 0 | 0 | 0 | 109.9 | Q265 S346 | Q265-T269 HydrophobicContact CB-CG2 4.41Å; Q265-T269 HydrophobicContact CG-CG2 4.31Å; T269-S346 WeakPolarHBondContact CA-O 3.25Å | ||
| 270 | E | 91.1 | Very high | 82.5 | Confident | 91 Ų | 91 | 55.3 Ų | 55.3 | 43% | 0.425 | 31% | 0.311 | S | S | . | . | trans | -123.9 | 146.2 | -177.7 | -74.4 | -69.3 | 163.2 | 0 | 0 | 110.4 | F274 S346 K348 | E270-F274 HydrophobicContact CB-CB 3.89Å; E270-F274 HydrophobicContact CB-CD2 4.05Å; E270-F274 HydrophobicContact CB-CG 3.95Å; E270-F274 HydrophobicContact CG-CD2 3.82Å; E270-F274 HydrophobicContact CG-CE2 4.23Å; E270-F274 HydrophobicContact CG-CG 4.22Å; E270-S346 PolarHBondContact N-O 2.86Å; E270-S346 VanDerWaalsContact N-O 3.08Å; E270-K348 HydrophobicContact CB-CB 4.08Å; E270-K348 HydrophobicContact CB-CD 4.16Å; E270-K348 HydrophobicContact CB-CG 4.38Å; E270-K348 PolarHBondContact O-NZ 2.71Å | ||
| 271 | P | 93 | Very high | 84.6 | Confident | 76 Ų | 76 | 50.7 Ų | 50.7 | 49% | 0.494 | 28% | 0.276 | S | S | . | . | trans | -67.7 | 165.5 | 177.2 | 30.1 | -34.5 | 0 | 0 | 0 | 111.6 | S273 F274 | P271-S273 WeakPolarHBondContact CG-OG 3.42Å; P271-S273 PolarHBondContact O-N 3.17Å; P271-S273 VanDerWaalsContact O-N 3.14Å; P271-F274 WeakPolarHBondContact O-CB 3.28Å; P271-F274 PolarHBondContact O-N 2.97Å | ||
| 272 | I | 92.1 | Very high | 86.4 | Confident | 103 Ų | 103 | 49.7 Ų | 49.7 | 53% | 0.528 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -33.4 | 177.2 | -69 | 169.2 | 0 | 0 | 0 | 112.2 | F274 Y275 F343 | I272-F274 PolarHBondContact O-N 3.02Å; I272-F274 VanDerWaalsContact O-N 3.11Å; I272-Y275 PolarHBondContact O-N 2.88Å; I272-F343 HydrophobicContact CG2-CD1 3.73Å; I272-F343 HydrophobicContact CG2-CE1 4.02Å |
| 273 | S | 91.5 | Very high | 88.1 | Confident | 53 Ų | 53 | 48.6 Ų | 48.6 | 37% | 0.371 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.9 | -21.6 | 178.8 | 59 | 0 | 0 | 0 | 0 | 113.4 | P271 Y275 I276 K277 | P271-S273 WeakPolarHBondContact CG-OG 3.42Å; P271-S273 PolarHBondContact O-N 3.17Å; P271-S273 VanDerWaalsContact O-N 3.14Å; S273-Y275 PolarHBondContact O-N 3.37Å; S273-I276 PolarHBondContact O-N 3.5Å; S273-K277 WeakPolarHBondContact O-CG 3.47Å; S273-K277 PolarHBondContact O-N 3.33Å |
| 274 | F | 92.5 | Very high | 89.2 | Confident | 54 Ų | 54 | 48.8 Ų | 48.8 | 24% | 0.237 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.4 | -50.1 | 175.4 | 179.3 | -90.2 | 0 | 0 | 0 | 112.2 | E270 P271 I272 I276 K277 N278 K348 | E270-F274 HydrophobicContact CB-CB 3.89Å; E270-F274 HydrophobicContact CB-CD2 4.05Å; E270-F274 HydrophobicContact CB-CG 3.95Å; E270-F274 HydrophobicContact CG-CD2 3.82Å; E270-F274 HydrophobicContact CG-CE2 4.23Å; E270-F274 HydrophobicContact CG-CG 4.22Å; P271-F274 WeakPolarHBondContact O-CB 3.28Å; P271-F274 PolarHBondContact O-N 2.97Å; I272-F274 PolarHBondContact O-N 3.02Å; I272-F274 VanDerWaalsContact O-N 3.11Å; F274-I276 PolarHBondContact O-N 2.8Å; F274-K277 PolarHBondContact O-N 3.34Å; F274-N278 WeakPolarHBondContact O-CB 3.45Å; F274-N278 PolarHBondContact O-N 3.44Å; F274-K348 HydrophobicContact CB-CD 4.11Å; F274-K348 HydrophobicContact CD1-CB 3.7Å; F274-K348 HydrophobicContact CD1-CD 4.2Å; F274-K348 HydrophobicContact CE1-CB 4.02Å; F274-K348 HydrophobicContact CG-CB 4.38Å; F274-K348 HydrophobicContact CG-CD 4.49Å |
| 275 | Y | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -73.2 | -28.1 | -179.4 | -74.1 | -37.2 | 0 | 0 | 0 | 113.7 | I272 S273 N278 Y279 F342 F343 K348 E349 F352 L353 | I272-Y275 PolarHBondContact O-N 2.88Å; S273-Y275 PolarHBondContact O-N 3.37Å; Y275-N278 PolarHBondContact O-N 3.18Å; Y275-Y279 VanDerWaalsContact O-CD2 3.28Å; Y275-Y279 WeakPolarHBondContact O-CD2 3.46Å; Y275-Y279 PolarHBondContact O-N 3.34Å; Y275-F342 HydrophobicContact CE2-CB 3.93Å; Y275-F342 WeakPolarHBondContact CE2-O 3.47Å; Y275-F343 VanDerWaalsContact CB-CE2 3.49Å; Y275-F343 AromaticContact CD2-CD2 3.63Å; Y275-F343 HydrophobicContact CD2-CD2 3.63Å; Y275-F343 AromaticContact CD2-CE2 3.7Å; Y275-F343 HydrophobicContact CD2-CE2 3.7Å; Y275-F343 HydrophobicContact CD2-CG 4.08Å; Y275-F343 HydrophobicContact CD2-CZ 4.22Å; Y275-F343 HydrophobicContact CE2-CD2 4.41Å; Y275-F343 HydrophobicContact CG-CD2 4.34Å; Y275-F343 AromaticContact CG-CE2 3.93Å; Y275-F343 HydrophobicContact CG-CE2 3.93Å; Y275-F343 HydrophobicContact CG-CZ 4.2Å; Y275-K348 HydrophobicContact CD2-CD 3.8Å; Y275-K348 HydrophobicContact CD2-CG 4.27Å; Y275-K348 HydrophobicContact CE1-CB 3.93Å; Y275-K348 HydrophobicContact CE1-CG 4.44Å; Y275-K348 HydrophobicContact CE2-CB 4Å; Y275-K348 HydrophobicContact CE2-CD 3.68Å; Y275-K348 HydrophobicContact CE2-CG 3.61Å; Y275-K348 HydrophobicContact CG-CD 4.32Å; Y275-K348 WeakPolarHBondContact OH-CA 3.31Å; Y275-E349 WeakPolarHBondContact CE1-O 3.38Å; Y275-F352 WeakPolarHBondContact OH-CD2 3.32Å; Y275-L353 HydrophobicContact CD1-CD1 3.59Å; Y275-L353 HydrophobicContact CD1-CD2 4.01Å; Y275-L353 HydrophobicContact CD1-CG 3.85Å; Y275-L353 HydrophobicContact CE1-CD1 4.19Å; Y275-L353 HydrophobicContact CE1-CD2 3.97Å; Y275-L353 HydrophobicContact CE1-CG 3.92Å; Y275-L353 HydrophobicContact CG-CD1 4.12Å; Y275-L353 HydrophobicContact CG-CD2 4.34Å |
| 276 | I | 93.4 | Very high | 90.9 | Very high | 90 Ų | 90 | 47.2 Ų | 47.2 | 46% | 0.462 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.5 | -48.1 | 171.4 | -59.3 | 176.2 | 0 | 0 | 0 | 109.4 | S273 F274 N278 Y279 I280 F343 | S273-I276 PolarHBondContact O-N 3.5Å; F274-I276 PolarHBondContact O-N 2.8Å; I276-N278 PolarHBondContact O-N 3.37Å; I276-Y279 PolarHBondContact O-N 3.01Å; I276-I280 HydrophobicContact CG2-CD1 3.99Å; I276-I280 WeakPolarHBondContact O-CG1 3.17Å; I276-I280 PolarHBondContact O-N 3.44Å; I276-I280 VanDerWaalsContact O-N 3.09Å; I276-F343 HydrophobicContact CG1-CE1 4.25Å |
| 277 | K | 89.7 | Confident | 91.7 | Very high | 88 Ų | 88 | 46.3 Ų | 46.3 | 38% | 0.383 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.8 | -45.6 | 175.1 | -69.7 | -179.5 | -175.8 | -169.9 | 0 | 111.2 | S273 F274 Y279 I280 L281 | S273-K277 WeakPolarHBondContact O-CG 3.47Å; S273-K277 PolarHBondContact O-N 3.33Å; F274-K277 PolarHBondContact O-N 3.34Å; K277-Y279 PolarHBondContact O-N 3.29Å; K277-I280 PolarHBondContact O-N 3.34Å; K277-L281 WeakPolarHBondContact O-CB 3.38Å; K277-L281 WeakPolarHBondContact O-CD1 3.45Å; K277-L281 VanDerWaalsContact O-CG 3.24Å; K277-L281 WeakPolarHBondContact O-CG 3.43Å; K277-L281 PolarHBondContact O-N 3.42Å |
| 278 | N | 92.5 | Very high | 92.4 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.2 | -51.4 | 176.5 | -177.1 | -1.5 | 0 | 0 | 0 | 111.3 | F274 Y275 I276 I280 L281 N282 E350 L353 | F274-N278 WeakPolarHBondContact O-CB 3.45Å; F274-N278 PolarHBondContact O-N 3.44Å; Y275-N278 PolarHBondContact O-N 3.18Å; I276-N278 PolarHBondContact O-N 3.37Å; N278-I280 PolarHBondContact O-N 3.32Å; N278-L281 PolarHBondContact O-N 2.92Å; N278-N282 WeakPolarHBondContact O-CB 3.2Å; N278-N282 PolarHBondContact O-N 2.8Å; N278-N282 PolarHBondContact OD1-ND2 3.37Å; N278-E350 WeakPolarHBondContact ND2-CA 3.34Å; N278-E350 PolarHBondContact ND2-O 3.46Å; N278-L353 HydrophobicContact CB-CD1 4.19Å; N278-L353 WeakPolarHBondContact ND2-CD1 3.31Å |
| 279 | Y | 94.6 | Very high | 92.9 | Very high | 25 Ų | 25 | 44.6 Ų | 44.6 | 10% | 0.098 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.2 | -41.4 | 179.1 | -81.2 | -47.6 | 0 | 0 | 0 | 113.7 | Y275 I276 K277 L281 Q283 N284 N339 F343 L353 C356 Y357 I360 | Y275-Y279 VanDerWaalsContact O-CD2 3.28Å; Y275-Y279 WeakPolarHBondContact O-CD2 3.46Å; Y275-Y279 PolarHBondContact O-N 3.34Å; I276-Y279 PolarHBondContact O-N 3.01Å; K277-Y279 PolarHBondContact O-N 3.29Å; Y279-L281 VanDerWaalsContact C-N 3.33Å; Y279-Q283 HydrophobicContact CD1-CG 4.27Å; Y279-Q283 CarbonylContact O-C 3.54Å; Y279-Q283 WeakPolarHBondContact O-CA 3.4Å; Y279-Q283 VanDerWaalsContact O-CB 3.28Å; Y279-Q283 WeakPolarHBondContact O-CB 3.37Å; Y279-Q283 PolarHBondContact O-N 3.1Å; Y279-N284 PolarHBondContact O-N 3Å; Y279-N339 WeakPolarHBondContact CE2-OD1 3.35Å; Y279-N339 PolarHBondContact OH-ND2 3.45Å; Y279-N339 PolarHBondContact OH-OD1 3.48Å; Y279-F343 HydrophobicContact CD2-CZ 4.4Å; Y279-F343 AromaticContact CE2-CE2 3.95Å; Y279-F343 HydrophobicContact CE2-CE2 3.95Å; Y279-F343 HydrophobicContact CE2-CZ 4.05Å; Y279-L353 HydrophobicContact CD1-CD1 4.04Å; Y279-L353 HydrophobicContact CD2-CD1 4.24Å; Y279-L353 HydrophobicContact CE1-CB 4.29Å; Y279-L353 HydrophobicContact CE1-CD1 3.64Å; Y279-L353 HydrophobicContact CE1-CG 4.45Å; Y279-L353 HydrophobicContact CE2-CD1 3.91Å; Y279-L353 HydrophobicContact CG-CD1 4.3Å; Y279-C356 PolarHBondContact OH-SG 3.3Å; Y279-Y357 HydrophobicContact CE1-CE1 4.43Å; Y279-I360 HydrophobicContact CD1-CD1 3.85Å; Y279-I360 HydrophobicContact CE1-CD1 3.33Å |
| 280 | I | 91.5 | Very high | 93.3 | Very high | 55 Ų | 55 | 40.9 Ų | 40.9 | 28% | 0.282 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.3 | -41.7 | 177.9 | -61.7 | 167.1 | 0 | 0 | 0 | 110 | I276 K277 N278 N284 I572 | I276-I280 HydrophobicContact CG2-CD1 3.99Å; I276-I280 WeakPolarHBondContact O-CG1 3.17Å; I276-I280 PolarHBondContact O-N 3.44Å; I276-I280 VanDerWaalsContact O-N 3.09Å; K277-I280 PolarHBondContact O-N 3.34Å; N278-I280 PolarHBondContact O-N 3.32Å; I280-N284 WeakPolarHBondContact O-CA 3.48Å; I280-N284 PolarHBondContact O-N 3.11Å; I280-N284 PolarHBondContact O-OD1 2.94Å; I280-I572 HydrophobicContact CB-CG2 4.49Å; I280-I572 HydrophobicContact CG2-CG2 3.49Å; I280-I572 VanDerWaalsContact CG2-CG2 3.49Å |
| 281 | L | 89.5 | Confident | 93.5 | Very high | 37 Ų | 37 | 41 Ų | 41 | 19% | 0.194 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68 | -42.7 | 179.6 | -75.2 | 166.6 | 0 | 0 | 0 | 113.7 | K277 N278 Y279 I572 Y574 | K277-L281 WeakPolarHBondContact O-CB 3.38Å; K277-L281 WeakPolarHBondContact O-CD1 3.45Å; K277-L281 VanDerWaalsContact O-CG 3.24Å; K277-L281 WeakPolarHBondContact O-CG 3.43Å; K277-L281 PolarHBondContact O-N 3.42Å; N278-L281 PolarHBondContact O-N 2.92Å; Y279-L281 VanDerWaalsContact C-N 3.33Å; L281-I572 HydrophobicContact CD2-CB 4.05Å; L281-I572 HydrophobicContact CD2-CG1 3.84Å; L281-I572 HydrophobicContact CD2-CG2 4.2Å; L281-I572 HydrophobicContact CG-CG1 4.17Å; L281-Y574 HydrophobicContact CD2-CD2 4.46Å; L281-Y574 HydrophobicContact CD2-CE2 4.11Å |
| 282 | N | 93.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.011 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -97.8 | -23.5 | -170.5 | -83.6 | -35.1 | 0 | 0 | 0 | 113.8 | S144 P145 G146 N278 E350 | S144-N282 WeakPolarHBondContact CB-O 3.35Å; S144-N282 PolarHBondContact OG-O 3.5Å; P145-N282 VanDerWaalsContact CD-O 3.3Å; P145-N282 WeakPolarHBondContact CD-O 3.1Å; G146-N282 PolarHBondContact N-O 3.17Å; N278-N282 WeakPolarHBondContact O-CB 3.2Å; N278-N282 PolarHBondContact O-N 2.8Å; N278-N282 PolarHBondContact OD1-ND2 3.37Å; N282-E350 VanDerWaalsContact ND2-CD 3.35Å; N282-E350 WeakPolarHBondContact ND2-CG 3.26Å; N282-E350 PolarHBondContact ND2-OE1 3.45Å |
| 283 | Q | 94.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -121.2 | -4.7 | -178.7 | -60.5 | -63.1 | -27.9 | 0 | 0 | 112.6 | S144 N147 Y279 L285 L286 Y357 I360 | S144-Q283 VanDerWaalsContact OG-CD 3.32Å; S144-Q283 PolarHBondContact OG-NE2 3.36Å; S144-Q283 VanDerWaalsContact OG-NE2 3.13Å; S144-Q283 PolarHBondContact OG-OE1 2.82Å; N147-Q283 PolarHBondContact OD1-NE2 2.66Å; Y279-Q283 HydrophobicContact CD1-CG 4.27Å; Y279-Q283 CarbonylContact O-C 3.54Å; Y279-Q283 WeakPolarHBondContact O-CA 3.4Å; Y279-Q283 VanDerWaalsContact O-CB 3.28Å; Y279-Q283 WeakPolarHBondContact O-CB 3.37Å; Y279-Q283 PolarHBondContact O-N 3.1Å; Q283-L285 PolarHBondContact O-N 3.06Å; Q283-L286 HydrophobicContact CB-CB 4.45Å; Q283-L286 WeakPolarHBondContact O-CA 3.33Å; Q283-L286 WeakPolarHBondContact O-CB 3.05Å; Q283-L286 WeakPolarHBondContact O-CG 3.47Å; Q283-L286 PolarHBondContact O-N 2.71Å; Q283-Y357 HydrophobicContact CG-CD1 4.36Å; Q283-Y357 HydrophobicContact CG-CE1 4.18Å; Q283-Y357 VanDerWaalsContact NE2-CD2 3.28Å; Q283-I360 HydrophobicContact CG-CD1 4.22Å; Q283-I360 HydrophobicContact CG-CG2 4.49Å |
| 284 | N | 91.2 | Very high | 94.1 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | -137.1 | 178.2 | -63.3 | -40.1 | 0 | 0 | 0 | 111 | Y279 I280 L286 S287 M402 T403 | Y279-N284 PolarHBondContact O-N 3Å; I280-N284 WeakPolarHBondContact O-CA 3.48Å; I280-N284 PolarHBondContact O-N 3.11Å; I280-N284 PolarHBondContact O-OD1 2.94Å; N284-L286 PolarHBondContact O-N 2.69Å; N284-S287 PolarHBondContact O-N 2.57Å; N284-S287 PolarHBondContact O-OG 3.38Å; N284-M402 HydrophobicContact CB-CE 3.92Å; N284-M402 WeakPolarHBondContact OD1-CE 3.19Å; N284-T403 PolarHBondContact ND2-OG1 3.46Å; N284-T403 VanDerWaalsContact ND2-OG1 3.12Å |
| 285 | L | 92.6 | Very high | 94.2 | Very high | 48 Ų | 48 | 36.9 Ų | 36.9 | 25% | 0.251 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.8 | -15.7 | 176.9 | -56.1 | -179.4 | 0 | 0 | 0 | 113.8 | Q283 S287 I288 F289 V398 I399 | Q283-L285 PolarHBondContact O-N 3.06Å; L285-S287 VanDerWaalsContact C-N 3.28Å; L285-S287 PolarHBondContact O-N 3Å; L285-I288 HydrophobicContact CD2-CD1 3.87Å; L285-I288 WeakPolarHBondContact O-CB 3.44Å; L285-I288 PolarHBondContact O-N 3.19Å; L285-I288 VanDerWaalsContact O-N 3.15Å; L285-F289 HydrophobicContact CB-CE1 4.44Å; L285-F289 HydrophobicContact CB-CE2 4.49Å; L285-F289 HydrophobicContact CB-CZ 4.26Å; L285-F289 WeakPolarHBondContact O-CG 3.49Å; L285-F289 PolarHBondContact O-N 2.89Å; L285-V398 HydrophobicContact CD1-CG1 4.22Å; L285-I399 HydrophobicContact CB-CD1 3.94Å; L285-I399 HydrophobicContact CB-CG1 3.79Å; L285-I399 HydrophobicContact CD1-CG1 4.03Å; L285-I399 HydrophobicContact CG-CG1 4.14Å |
| 286 | L | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.4 | -39.3 | 177.9 | -57.4 | 176.2 | 0 | 0 | 0 | 110.9 | C140 Q283 N284 I288 F289 A290 I360 S364 I399 | C140-L286 HydrophobicContact CB-CD2 4.26Å; C140-L286 WeakPolarHBondContact O-CD1 3.32Å; Q283-L286 HydrophobicContact CB-CB 4.45Å; Q283-L286 WeakPolarHBondContact O-CA 3.33Å; Q283-L286 WeakPolarHBondContact O-CB 3.05Å; Q283-L286 WeakPolarHBondContact O-CG 3.47Å; Q283-L286 PolarHBondContact O-N 2.71Å; N284-L286 PolarHBondContact O-N 2.69Å; L286-I288 VanDerWaalsContact C-N 3.31Å; L286-I288 PolarHBondContact O-N 3.45Å; L286-F289 PolarHBondContact O-N 3.32Å; L286-A290 WeakPolarHBondContact O-CB 3.42Å; L286-A290 PolarHBondContact O-N 3.16Å; L286-I360 HydrophobicContact CB-CG2 4.34Å; L286-S364 WeakPolarHBondContact CA-OG 3.25Å; L286-S364 WeakPolarHBondContact CB-OG 3.22Å; L286-S364 PolarHBondContact O-OG 3.38Å; L286-I399 HydrophobicContact CD2-CD1 3.9Å; L286-I399 HydrophobicContact CD2-CG2 4.46Å; L286-I399 HydrophobicContact CG-CD1 4.46Å; L286-I399 HydrophobicContact CG-CG2 4.3Å |
| 287 | S | 95.1 | Very high | 94 | Very high | 18 Ų | 18 | 37.4 Ų | 37.4 | 13% | 0.126 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60 | -41.3 | 174.5 | 64.8 | 0 | 0 | 0 | 0 | 112.2 | N284 L285 A290 L291 | N284-S287 PolarHBondContact O-N 2.57Å; N284-S287 PolarHBondContact O-OG 3.38Å; L285-S287 VanDerWaalsContact C-N 3.28Å; L285-S287 PolarHBondContact O-N 3Å; S287-A290 PolarHBondContact O-N 3.07Å; S287-L291 WeakPolarHBondContact O-CB 3.38Å; S287-L291 PolarHBondContact O-N 3.05Å |
| 288 | I | 95.5 | Very high | 94 | Very high | 76 Ų | 76 | 36 Ų | 36 | 39% | 0.39 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66.4 | -43.8 | 176.9 | -61 | 174.8 | 0 | 0 | 0 | 110.1 | L285 L286 A290 L291 L292 | L285-I288 HydrophobicContact CD2-CD1 3.87Å; L285-I288 WeakPolarHBondContact O-CB 3.44Å; L285-I288 PolarHBondContact O-N 3.19Å; L285-I288 VanDerWaalsContact O-N 3.15Å; L286-I288 VanDerWaalsContact C-N 3.31Å; L286-I288 PolarHBondContact O-N 3.45Å; I288-A290 VanDerWaalsContact C-N 3.33Å; I288-A290 PolarHBondContact O-N 3.12Å; I288-L291 PolarHBondContact O-N 3.08Å; I288-L292 HydrophobicContact CG2-CD1 4.03Å; I288-L292 HydrophobicContact CG2-CG 4.28Å; I288-L292 WeakPolarHBondContact O-CB 3.45Å; I288-L292 VanDerWaalsContact O-CG 3.29Å; I288-L292 WeakPolarHBondContact O-CG 3.31Å; I288-L292 PolarHBondContact O-N 3.48Å |
| 289 | F | 96.5 | Very high | 93.9 | Very high | 24 Ų | 24 | 40.1 Ų | 40.1 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.4 | -39 | 177 | -65.6 | -12.4 | 0 | 0 | 0 | 112.5 | L285 L286 L292 L293 F367 M368 I399 | L285-F289 HydrophobicContact CB-CE1 4.44Å; L285-F289 HydrophobicContact CB-CE2 4.49Å; L285-F289 HydrophobicContact CB-CZ 4.26Å; L285-F289 WeakPolarHBondContact O-CG 3.49Å; L285-F289 PolarHBondContact O-N 2.89Å; L286-F289 PolarHBondContact O-N 3.32Å; F289-L292 HydrophobicContact CD1-CD1 4.43Å; F289-L292 PolarHBondContact O-N 3.08Å; F289-L293 PolarHBondContact O-N 2.95Å; F289-F367 HydrophobicContact CB-CB 4.33Å; F289-F367 HydrophobicContact CB-CD1 3.62Å; F289-F367 HydrophobicContact CB-CE1 4.24Å; F289-F367 HydrophobicContact CB-CG 4.16Å; F289-F367 AromaticContact CD1-CD1 3.79Å; F289-F367 HydrophobicContact CD1-CD1 3.79Å; F289-F367 AromaticContact CD1-CE1 3.55Å; F289-F367 HydrophobicContact CD1-CE1 3.55Å; F289-F367 HydrophobicContact CD2-CD1 4.26Å; F289-F367 HydrophobicContact CE1-CE1 4.02Å; F289-F367 AromaticContact CG-CD1 3.64Å; F289-F367 HydrophobicContact CG-CD1 3.64Å; F289-F367 AromaticContact CG-CE1 3.92Å; F289-F367 HydrophobicContact CG-CE1 3.92Å; F289-M368 HydrophobicContact CD2-CG 4.01Å; F289-M368 HydrophobicContact CD2-SD 4.12Å; F289-M368 HydrophobicContact CE2-CG 4.05Å; F289-M368 HydrophobicContact CE2-SD 3.87Å; F289-I399 HydrophobicContact CD2-CD1 4.45Å; F289-I399 HydrophobicContact CE2-CD1 3.78Å; F289-I399 HydrophobicContact CZ-CD1 4.47Å |
| 290 | A | 97.4 | Very high | 93.5 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.5 | -42.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L286 S287 I288 L293 L294 L335 I360 A363 | L286-A290 WeakPolarHBondContact O-CB 3.42Å; L286-A290 PolarHBondContact O-N 3.16Å; S287-A290 PolarHBondContact O-N 3.07Å; I288-A290 VanDerWaalsContact C-N 3.33Å; I288-A290 PolarHBondContact O-N 3.12Å; A290-L293 PolarHBondContact O-N 2.83Å; A290-L294 PolarHBondContact O-N 2.85Å; A290-L335 HydrophobicContact CB-CD1 4.37Å; A290-I360 HydrophobicContact CB-CG2 3.96Å; A290-A363 HydrophobicContact CB-CB 3.75Å |
| 291 | L | 96.8 | Very high | 93.2 | Very high | 93 Ų | 93 | 48.1 Ų | 48.1 | 49% | 0.487 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 174.9 | -179.1 | 63.3 | 0 | 0 | 0 | 112 | S287 I288 L293 L294 L295 | S287-L291 WeakPolarHBondContact O-CB 3.38Å; S287-L291 PolarHBondContact O-N 3.05Å; I288-L291 PolarHBondContact O-N 3.08Å; L291-L293 VanDerWaalsContact C-N 3.34Å; L291-L293 PolarHBondContact O-N 2.93Å; L291-L294 WeakPolarHBondContact O-CB 2.92Å; L291-L294 PolarHBondContact O-N 2.77Å; L291-L294 VanDerWaalsContact O-N 3.17Å; L291-L295 HydrophobicContact CD1-CG 4.44Å; L291-L295 HydrophobicContact CG-CD1 4.22Å; L291-L295 WeakPolarHBondContact O-CG 3.41Å; L291-L295 PolarHBondContact O-N 2.89Å |
| 292 | L | 96.6 | Very high | 93.1 | Very high | 65 Ų | 65 | 50.8 Ų | 50.8 | 34% | 0.34 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.7 | -40.5 | 176.8 | -71.6 | 173.4 | 0 | 0 | 0 | 111.4 | I288 F289 L294 L295 I296 F367 | I288-L292 HydrophobicContact CG2-CD1 4.03Å; I288-L292 HydrophobicContact CG2-CG 4.28Å; I288-L292 WeakPolarHBondContact O-CB 3.45Å; I288-L292 VanDerWaalsContact O-CG 3.29Å; I288-L292 WeakPolarHBondContact O-CG 3.31Å; I288-L292 PolarHBondContact O-N 3.48Å; F289-L292 HydrophobicContact CD1-CD1 4.43Å; F289-L292 PolarHBondContact O-N 3.08Å; L292-L294 VanDerWaalsContact C-N 3.31Å; L292-L294 PolarHBondContact O-N 3.16Å; L292-L295 PolarHBondContact O-N 2.97Å; L292-I296 WeakPolarHBondContact O-CB 3.33Å; L292-I296 WeakPolarHBondContact O-CD1 3.43Å; L292-I296 WeakPolarHBondContact O-CG1 3.49Å; L292-I296 PolarHBondContact O-N 3.36Å; L292-F367 HydrophobicContact CB-CD2 4.02Å; L292-F367 HydrophobicContact CB-CE2 3.59Å; L292-F367 HydrophobicContact CB-CZ 3.99Å; L292-F367 HydrophobicContact CD1-CE1 4.16Å; L292-F367 HydrophobicContact CD1-CE2 4.1Å; L292-F367 HydrophobicContact CD1-CZ 3.6Å; L292-F367 HydrophobicContact CG-CE2 4.49Å; L292-F367 HydrophobicContact CG-CZ 4.45Å |
| 293 | L | 95.8 | Very high | 92.8 | Very high | 9 Ų | 9 | 53.1 Ų | 53.1 | 5% | 0.047 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60 | -44 | 173.4 | -174.8 | 66.9 | 0 | 0 | 0 | 111.5 | F289 A290 L291 S297 R328 A363 V366 F367 | F289-L293 PolarHBondContact O-N 2.95Å; A290-L293 PolarHBondContact O-N 2.83Å; L291-L293 VanDerWaalsContact C-N 3.34Å; L291-L293 PolarHBondContact O-N 2.93Å; L293-S297 VanDerWaalsContact O-CB 3.26Å; L293-S297 WeakPolarHBondContact O-CB 3.35Å; L293-S297 PolarHBondContact O-N 3.03Å; L293-S297 PolarHBondContact O-OG 2.95Å; L293-R328 HydrophobicContact CD1-CG 4.14Å; L293-R328 HydrophobicContact CD2-CG 4.37Å; L293-A363 HydrophobicContact CD2-CB 3.79Å; L293-A363 WeakPolarHBondContact CD2-O 3.29Å; L293-V366 HydrophobicContact CD1-CG1 4.01Å; L293-V366 HydrophobicContact CD2-CB 4.13Å; L293-V366 HydrophobicContact CD2-CG1 3.93Å; L293-F367 HydrophobicContact CB-CB 4.24Å |
| 294 | L | 95.7 | Very high | 92.2 | Very high | 39 Ų | 39 | 60 Ų | 60 | 20% | 0.204 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60 | -51 | 177.8 | 179.3 | 64.8 | 0 | 0 | 0 | 110.6 | A290 L291 L292 I296 S297 T298 C332 V336 | A290-L294 PolarHBondContact O-N 2.85Å; L291-L294 WeakPolarHBondContact O-CB 2.92Å; L291-L294 PolarHBondContact O-N 2.77Å; L291-L294 VanDerWaalsContact O-N 3.17Å; L292-L294 VanDerWaalsContact C-N 3.31Å; L292-L294 PolarHBondContact O-N 3.16Å; L294-I296 PolarHBondContact O-N 3.49Å; L294-S297 PolarHBondContact O-N 3.38Å; L294-T298 HydrophobicContact CD1-CG2 4.31Å; L294-T298 WeakPolarHBondContact O-CG2 3.46Å; L294-T298 PolarHBondContact O-N 2.82Å; L294-T298 PolarHBondContact O-OG1 3.38Å; L294-C332 HydrophobicContact CD1-CB 3.67Å; L294-V336 HydrophobicContact CD1-CG2 3.7Å; L294-V336 HydrophobicContact CD2-CG2 4.01Å |
| 295 | L | 95.6 | Very high | 91.8 | Very high | 87 Ų | 87 | 63.9 Ų | 63.9 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 179.2 | -67.8 | 174.3 | 0 | 0 | 0 | 112.7 | L291 L292 S297 T298 V299 | L291-L295 HydrophobicContact CD1-CG 4.44Å; L291-L295 HydrophobicContact CG-CD1 4.22Å; L291-L295 WeakPolarHBondContact O-CG 3.41Å; L291-L295 PolarHBondContact O-N 2.89Å; L292-L295 PolarHBondContact O-N 2.97Å; L295-S297 VanDerWaalsContact C-N 3.3Å; L295-S297 PolarHBondContact O-N 3.45Å; L295-T298 WeakPolarHBondContact CA-OG1 3.41Å; L295-T298 PolarHBondContact O-N 3.35Å; L295-T298 PolarHBondContact O-OG1 3.47Å; L295-V299 WeakPolarHBondContact O-CB 3.41Å; L295-V299 VanDerWaalsContact O-CG2 3.24Å; L295-V299 WeakPolarHBondContact O-CG2 3.44Å; L295-V299 PolarHBondContact O-N 3.19Å |
| 296 | I | 92.1 | Very high | 91.3 | Very high | 73 Ų | 73 | 67.6 Ų | 67.6 | 37% | 0.374 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 177.3 | -68.7 | 165.3 | 0 | 0 | 0 | 110.5 | L292 L294 K300 F367 | L292-I296 WeakPolarHBondContact O-CB 3.33Å; L292-I296 WeakPolarHBondContact O-CD1 3.43Å; L292-I296 WeakPolarHBondContact O-CG1 3.49Å; L292-I296 PolarHBondContact O-N 3.36Å; L294-I296 PolarHBondContact O-N 3.49Å; I296-K300 HydrophobicContact CG2-CD 4.26Å; I296-K300 WeakPolarHBondContact O-CB 3.5Å; I296-K300 WeakPolarHBondContact O-CG 3.25Å; I296-K300 PolarHBondContact O-N 3.42Å; I296-F367 HydrophobicContact CD1-CD2 4.28Å; I296-F367 HydrophobicContact CD1-CE2 3.84Å |
| 297 | S | 90.8 | Very high | 90.7 | Very high | 29 Ų | 29 | 74.6 Ų | 74.6 | 20% | 0.203 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -69 | -41 | -179.3 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | L293 L294 L295 F301 | L293-S297 VanDerWaalsContact O-CB 3.26Å; L293-S297 WeakPolarHBondContact O-CB 3.35Å; L293-S297 PolarHBondContact O-N 3.03Å; L293-S297 PolarHBondContact O-OG 2.95Å; L294-S297 PolarHBondContact O-N 3.38Å; L295-S297 VanDerWaalsContact C-N 3.3Å; L295-S297 PolarHBondContact O-N 3.45Å; S297-F301 WeakPolarHBondContact O-CB 3.47Å; S297-F301 PolarHBondContact O-N 3.27Å |
| 298 | T | 89.8 | Confident | 89.4 | Confident | 57 Ų | 57 | 82.8 Ų | 82.8 | 35% | 0.35 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.1 | -44.6 | 176.6 | 54.9 | 0 | 0 | 0 | 0 | 111.7 | L294 L295 K300 F301 I302 | L294-T298 HydrophobicContact CD1-CG2 4.31Å; L294-T298 WeakPolarHBondContact O-CG2 3.46Å; L294-T298 PolarHBondContact O-N 2.82Å; L294-T298 PolarHBondContact O-OG1 3.38Å; L295-T298 WeakPolarHBondContact CA-OG1 3.41Å; L295-T298 PolarHBondContact O-N 3.35Å; L295-T298 PolarHBondContact O-OG1 3.47Å; T298-K300 PolarHBondContact O-N 2.94Å; T298-F301 WeakPolarHBondContact O-CB 3.04Å; T298-F301 PolarHBondContact O-N 3.3Å; T298-I302 WeakPolarHBondContact O-CG1 3.26Å; T298-I302 PolarHBondContact O-N 2.97Å |
| 299 | V | 90.5 | Very high | 87.5 | Confident | 95 Ų | 95 | 83.3 Ų | 83.3 | 58% | 0.576 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61.1 | -43.5 | 176.5 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | L295 F301 I302 S303 | L295-V299 WeakPolarHBondContact O-CB 3.41Å; L295-V299 VanDerWaalsContact O-CG2 3.24Å; L295-V299 WeakPolarHBondContact O-CG2 3.44Å; L295-V299 PolarHBondContact O-N 3.19Å; V299-F301 VanDerWaalsContact C-N 3.33Å; V299-F301 PolarHBondContact O-N 2.91Å; V299-I302 PolarHBondContact O-N 3.27Å; V299-S303 VanDerWaalsContact O-CB 3.28Å; V299-S303 WeakPolarHBondContact O-CB 3.48Å; V299-S303 PolarHBondContact O-N 3.18Å |
| 300 | K | 86 | Confident | 85.1 | Confident | 94 Ų | 94 | 91 Ų | 91 | 41% | 0.409 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.8 | -38.6 | 175.5 | -78.3 | -176.8 | 177.7 | -175.1 | 0 | 112.5 | I296 T298 R304 | I296-K300 HydrophobicContact CG2-CD 4.26Å; I296-K300 WeakPolarHBondContact O-CB 3.5Å; I296-K300 WeakPolarHBondContact O-CG 3.25Å; I296-K300 PolarHBondContact O-N 3.42Å; T298-K300 PolarHBondContact O-N 2.94Å; K300-R304 WeakPolarHBondContact O-CB 3.28Å; K300-R304 VanDerWaalsContact O-CG 3.29Å; K300-R304 WeakPolarHBondContact O-CG 3.38Å; K300-R304 PolarHBondContact O-N 3.39Å; K300-R304 VanDerWaalsContact O-N 3.15Å |
| 301 | F | 85.6 | Confident | 82.7 | Confident | 154 Ų | 154 | 96.8 Ų | 96.8 | 68% | 0.675 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.2 | -49.6 | 176.5 | 178.8 | -98 | 0 | 0 | 0 | 111.6 | S297 T298 V299 S303 R304 S305 | S297-F301 WeakPolarHBondContact O-CB 3.47Å; S297-F301 PolarHBondContact O-N 3.27Å; T298-F301 WeakPolarHBondContact O-CB 3.04Å; T298-F301 PolarHBondContact O-N 3.3Å; V299-F301 VanDerWaalsContact C-N 3.33Å; V299-F301 PolarHBondContact O-N 2.91Å; F301-S303 PolarHBondContact O-N 2.9Å; F301-R304 PolarHBondContact O-N 3.11Å; F301-S305 PolarHBondContact O-N 2.73Å |
| 302 | I | 87.4 | Confident | 80.1 | Confident | 92 Ų | 92 | 98 Ų | 98 | 47% | 0.472 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 178.8 | -67.1 | 166.7 | 0 | 0 | 0 | 110.9 | T298 V299 R304 S305 L306 | T298-I302 WeakPolarHBondContact O-CG1 3.26Å; T298-I302 PolarHBondContact O-N 2.97Å; V299-I302 PolarHBondContact O-N 3.27Å; I302-R304 PolarHBondContact O-N 3.47Å; I302-S305 PolarHBondContact O-N 2.76Å; I302-S305 VanDerWaalsContact O-N 3.16Å; I302-L306 HydrophobicContact CG2-CD1 3.59Å; I302-L306 HydrophobicContact CG2-CG 4.15Å; I302-L306 WeakPolarHBondContact O-CB 3.39Å; I302-L306 WeakPolarHBondContact O-CG 3.4Å; I302-L306 PolarHBondContact O-N 2.95Å |
| 303 | S | 87 | Confident | 77.1 | Confident | 51 Ų | 51 | 100.1 Ų | 100.1 | 36% | 0.357 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.9 | -43.1 | 178.8 | 177.3 | 0 | 0 | 0 | 0 | 112.1 | V299 F301 S305 L306 F307 | V299-S303 VanDerWaalsContact O-CB 3.28Å; V299-S303 WeakPolarHBondContact O-CB 3.48Å; V299-S303 PolarHBondContact O-N 3.18Å; F301-S303 PolarHBondContact O-N 2.9Å; S303-S305 VanDerWaalsContact C-N 3.35Å; S303-S305 PolarHBondContact O-N 3.07Å; S303-L306 PolarHBondContact O-N 3.27Å; S303-F307 WeakPolarHBondContact O-CB 3.07Å; S303-F307 WeakPolarHBondContact O-CD2 3.39Å; S303-F307 PolarHBondContact O-N 3.16Å |
| 304 | R | 82.1 | Confident | 74.3 | Confident | 145 Ų | 145 | 104.9 Ų | 104.9 | 55% | 0.547 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 175.2 | -75.3 | 173.9 | 177.3 | 161.9 | -1.3 | 112.5 | K300 F301 I302 | K300-R304 WeakPolarHBondContact O-CB 3.28Å; K300-R304 VanDerWaalsContact O-CG 3.29Å; K300-R304 WeakPolarHBondContact O-CG 3.38Å; K300-R304 PolarHBondContact O-N 3.39Å; K300-R304 VanDerWaalsContact O-N 3.15Å; F301-R304 PolarHBondContact O-N 3.11Å; I302-R304 PolarHBondContact O-N 3.47Å |
| 305 | S | 83.1 | Confident | 71.2 | Confident | 85 Ų | 85 | 108.3 Ų | 108.3 | 59% | 0.594 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.6 | -42.8 | 178.5 | -170.7 | 0 | 0 | 0 | 0 | 112.4 | F301 I302 S303 | F301-S305 PolarHBondContact O-N 2.73Å; I302-S305 PolarHBondContact O-N 2.76Å; I302-S305 VanDerWaalsContact O-N 3.16Å; S303-S305 VanDerWaalsContact C-N 3.35Å; S303-S305 PolarHBondContact O-N 3.07Å |
| 306 | L | 82.2 | Confident | 68.4 | Low | 126 Ų | 126 | 107.8 Ų | 107.8 | 66% | 0.66 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -76.4 | -46.1 | -177.2 | -71.3 | 175 | 0 | 0 | 0 | 112.6 | I302 S303 K308 | I302-L306 HydrophobicContact CG2-CD1 3.59Å; I302-L306 HydrophobicContact CG2-CG 4.15Å; I302-L306 WeakPolarHBondContact O-CB 3.39Å; I302-L306 WeakPolarHBondContact O-CG 3.4Å; I302-L306 PolarHBondContact O-N 2.95Å; S303-L306 PolarHBondContact O-N 3.27Å; L306-K308 VanDerWaalsContact C-N 3.34Å; L306-K308 PolarHBondContact O-N 3.47Å |
| 307 | F | 83.3 | Confident | 65.7 | Low | 148 Ų | 148 | 111.8 Ų | 111.8 | 65% | 0.649 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -88.2 | 3.2 | -170.2 | -71.1 | -79.3 | 0 | 0 | 0 | 114.3 | S303 T309 | S303-F307 WeakPolarHBondContact O-CB 3.07Å; S303-F307 WeakPolarHBondContact O-CD2 3.39Å; S303-F307 PolarHBondContact O-N 3.16Å; F307-T309 HydrophobicContact CB-CG2 3.91Å; F307-T309 PolarHBondContact O-N 3.33Å |
| 308 | K | 67.7 | Low | 63.1 | Low | 189 Ų | 189 | 114 Ų | 114 | 82% | 0.822 | 62% | 0.624 | S | S | * | * | trans | 33.7 | 44.5 | -172.8 | -77.9 | -172.9 | 178.6 | 176.1 | 0 | 111.1 | L306 K310 | L306-K308 VanDerWaalsContact C-N 3.34Å; L306-K308 PolarHBondContact O-N 3.47Å; K308-K310 PolarHBondContact O-N 3.11Å | ||
| 309 | T | 54.7 | Low | 60.9 | Low | 87 Ų | 87 | 115.3 Ų | 115.3 | 53% | 0.534 | 63% | 0.629 | S | S | . | * | trans | -64.3 | 103.3 | -173.3 | 32.3 | 0 | 0 | 0 | 0 | 106.8 | F307 N311 | F307-T309 HydrophobicContact CB-CG2 3.91Å; F307-T309 PolarHBondContact O-N 3.33Å; T309-N311 PolarHBondContact O-N 2.79Å | ||
| 310 | K | 46.6 | Very low | 58.4 | Low | 186 Ų | 186 | 118 Ų | 118 | 81% | 0.809 | 63% | 0.632 | S | S | * | * | trans | -47.1 | 134.3 | 162.6 | -92.1 | -178.8 | 174.7 | 177.1 | 0 | 105.1 | K308 V312 | K308-K310 PolarHBondContact O-N 3.11Å; K310-V312 PolarHBondContact O-N 3.32Å | ||
| 311 | N | 46.8 | Very low | 56.3 | Low | 129 Ų | 129 | 117.5 Ų | 117.5 | 69% | 0.69 | 63% | 0.634 | S | S | * | * | trans | -49.8 | 89.6 | 172.7 | -76.3 | -38.6 | 0 | 0 | 0 | 108.7 | T309 S313 | T309-N311 PolarHBondContact O-N 2.79Å; N311-S313 PolarHBondContact O-N 2.61Å | ||
| 312 | V | 41.7 | Very low | 54.8 | Low | 118 Ų | 118 | 111.6 Ų | 111.6 | 72% | 0.715 | 61% | 0.611 | S | S | * | * | trans | -70 | 102.1 | 161.8 | 178.6 | 0 | 0 | 0 | 0 | 101.7 | K310 V314 | K310-V312 PolarHBondContact O-N 3.32Å; V312-V314 HydrophobicContact CG1-CG2 4.1Å; V312-V314 PolarHBondContact O-N 3.48Å | ||
| 313 | S | 33.6 | Very low | 54 | Low | 109 Ų | 109 | 107.4 Ų | 107.4 | 76% | 0.762 | 59% | 0.59 | S | S | * | * | trans | -59.9 | 80.7 | 165.4 | 44.7 | 0 | 0 | 0 | 0 | 106.8 | N311 S315 | N311-S313 PolarHBondContact O-N 2.61Å; S313-S315 VanDerWaalsContact C-N 3.35Å; S313-S315 PolarHBondContact O-N 2.86Å | ||
| 314 | V | 37.8 | Very low | 53.6 | Low | 109 Ų | 109 | 105.2 Ų | 105.2 | 66% | 0.661 | 57% | 0.574 | S | S | * | * | trans | -60.9 | 109 | 163.3 | 178.6 | 0 | 0 | 0 | 0 | 104.6 | V312 G316 | V312-V314 HydrophobicContact CG1-CG2 4.1Å; V312-V314 PolarHBondContact O-N 3.48Å; V314-G316 PolarHBondContact O-N 3.43Å | ||
| 315 | S | 30.6 | Very low | 53.5 | Low | 112 Ų | 112 | 100.7 Ų | 100.7 | 78% | 0.783 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -26.5 | 120.9 | 168 | 43.3 | 0 | 0 | 0 | 0 | 113.2 | S313 | S313-S315 VanDerWaalsContact C-N 3.35Å; S313-S315 PolarHBondContact O-N 2.86Å |
| 316 | G | 37.1 | Very low | 53.6 | Low | 75 Ų | 75 | 100.3 Ų | 100.3 | 77% | 0.773 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102.2 | -16.9 | 150.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | V314 | V314-G316 PolarHBondContact O-N 3.43Š|
| 317 | H | 35.2 | Very low | 54 | Low | 158 Ų | 158 | 94.5 Ų | 94.5 | 73% | 0.731 | 52% | 0.524 | S | S | * | . | trans | -138.4 | 77 | 175.2 | -115.2 | 61 | 0 | 0 | 0 | 110.6 | D319 | H317-D319 PolarHBondContact O-N 2.74Å; H317-D319 VanDerWaalsContact O-N 3.11Å | ||
| 318 | S | 35.6 | Very low | 54.5 | Low | 76 Ų | 76 | 89.3 Ų | 89.3 | 53% | 0.531 | 50% | 0.5 | S | S | . | . | trans | -70.9 | 104.2 | -179.6 | 56.6 | 0 | 0 | 0 | 0 | 111.2 | K320 N321 | S318-K320 PolarHBondContact O-N 3.21Å; S318-N321 PolarHBondContact O-N 3.38Å | ||
| 319 | D | 43.4 | Very low | 55.6 | Low | 84 Ų | 84 | 85.5 Ų | 85.5 | 45% | 0.449 | 49% | 0.488 | S | S | . | . | G | 310 helix | trans | -52 | -7.4 | 160.5 | -108.1 | -8.2 | 0 | 0 | 0 | 113.1 | H317 N321 | H317-D319 PolarHBondContact O-N 2.74Å; H317-D319 VanDerWaalsContact O-N 3.11Å; D319-N321 VanDerWaalsContact C-N 3.34Å; D319-N321 PolarHBondContact O-N 3.19Å |
| 320 | K | 39.6 | Very low | 57.5 | Low | 150 Ų | 150 | 82.1 Ų | 82.1 | 65% | 0.652 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -72.8 | -16.8 | -178.8 | -71.8 | -174.1 | 176 | 179.8 | 0 | 114.8 | S318 | S318-K320 PolarHBondContact O-N 3.21Š|
| 321 | N | 41.2 | Very low | 59.9 | Low | 84 Ų | 84 | 73.3 Ų | 73.3 | 45% | 0.449 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -111.1 | 2.2 | -176.6 | -78.9 | -3.7 | 0 | 0 | 0 | 114.5 | N116 S318 D319 | N116-N321 WeakPolarHBondContact CB-O 3.4Å; S318-N321 PolarHBondContact O-N 3.38Å; D319-N321 VanDerWaalsContact C-N 3.34Å; D319-N321 PolarHBondContact O-N 3.19Å |
| 322 | T | 53.2 | Low | 62.3 | Low | 31 Ų | 31 | 67.7 Ų | 67.7 | 19% | 0.19 | 40% | 0.4 | C | S | . | . | trans | -102.4 | 136.5 | 173 | 61 | 0 | 0 | 0 | 0 | 109.6 | L324 P325 | T322-L324 PolarHBondContact O-N 2.85Å; T322-P325 WeakPolarHBondContact O-CD 3.27Å | ||
| 323 | S | 71.9 | Confident | 64.8 | Low | 4 Ų | 4 | 65.4 Ų | 65.4 | 3% | 0.028 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -78.9 | 12.4 | 173.4 | 63.6 | 0 | 0 | 0 | 0 | 112.3 | Y112 I113 P325 D326 I327 | Y112-S323 WeakPolarHBondContact CD1-OG 3.5Å; Y112-S323 WeakPolarHBondContact CE1-OG 3.22Å; Y112-S323 PolarHBondContact O-OG 3.45Å; I113-S323 VanDerWaalsContact CA-OG 3.28Å; I113-S323 WeakPolarHBondContact CA-OG 3.49Å; I113-S323 PolarHBondContact N-OG 3.42Å; S323-P325 VanDerWaalsContact C-CD 3.44Å; S323-D326 WeakPolarHBondContact O-CB 3.35Å; S323-D326 PolarHBondContact O-N 3.48Å; S323-I327 PolarHBondContact O-N 3.31Å |
| 324 | L | 77.2 | Confident | 67.9 | Low | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.026 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.8 | -38.8 | 177.5 | -168.8 | 66.3 | 0 | 0 | 0 | 113.6 | I113 T322 D326 I327 R328 V366 | I113-L324 HydrophobicContact CD1-CD1 3.89Å; I113-L324 HydrophobicContact CG1-CD1 4.15Å; I113-L324 HydrophobicContact CG2-CD1 4.42Å; T322-L324 PolarHBondContact O-N 2.85Å; L324-D326 VanDerWaalsContact C-N 3.28Å; L324-D326 PolarHBondContact O-N 3.29Å; L324-I327 PolarHBondContact O-N 3.11Å; L324-R328 WeakPolarHBondContact O-CG 3.12Å; L324-R328 PolarHBondContact O-N 3.18Å; L324-V366 HydrophobicContact CD1-CG1 3.87Å; L324-V366 HydrophobicContact CD1-CG2 4.28Å |
| 325 | P | 80.6 | Confident | 70.8 | Confident | 49 Ų | 49 | 55.7 Ų | 55.7 | 32% | 0.318 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57.4 | -39.3 | 173.5 | -23.1 | 34.8 | 0 | 0 | 0 | 113 | T322 S323 R328 L329 | T322-P325 WeakPolarHBondContact O-CD 3.27Å; S323-P325 VanDerWaalsContact C-CD 3.44Å; P325-R328 PolarHBondContact O-N 3.04Å; P325-L329 WeakPolarHBondContact O-CB 3.28Å; P325-L329 PolarHBondContact O-N 2.87Å |
| 326 | D | 85.3 | Confident | 73.9 | Confident | 77 Ų | 77 | 54 Ų | 54 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.5 | -48.5 | -179.7 | -56.9 | -17.1 | 0 | 0 | 0 | 110.9 | Y112 S323 L324 R328 L329 I330 | Y112-D326 HydrophobicContact CE1-CB 4.18Å; Y112-D326 PolarHBondContact OH-OD2 2.94Å; S323-D326 WeakPolarHBondContact O-CB 3.35Å; S323-D326 PolarHBondContact O-N 3.48Å; L324-D326 VanDerWaalsContact C-N 3.28Å; L324-D326 PolarHBondContact O-N 3.29Å; D326-R328 PolarHBondContact O-N 3.28Å; D326-L329 WeakPolarHBondContact O-CB 3.46Å; D326-L329 PolarHBondContact O-N 3.46Å; D326-I330 VanDerWaalsContact O-CG1 3.27Å; D326-I330 WeakPolarHBondContact O-CG1 3.31Å; D326-I330 PolarHBondContact O-N 3.2Å |
| 327 | I | 91.5 | Very high | 76.8 | Confident | 5 Ų | 5 | 52.8 Ų | 52.8 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.8 | -49.1 | 178.2 | -72.3 | 163 | 0 | 0 | 0 | 109.8 | V109 Y112 I113 L172 S323 L324 L329 I330 V331 V362 V366 | V109-I327 HydrophobicContact CG1-CD1 3.81Å; V109-I327 HydrophobicContact CG1-CG2 4.48Å; Y112-I327 HydrophobicContact CD1-CD1 3.44Å; Y112-I327 VanDerWaalsContact CD1-CD1 3.44Å; Y112-I327 HydrophobicContact CD1-CG1 3.74Å; Y112-I327 HydrophobicContact CE1-CD1 4.15Å; Y112-I327 HydrophobicContact CE1-CG1 3.98Å; Y112-I327 HydrophobicContact CG-CD1 4.3Å; I113-I327 HydrophobicContact CD1-CD1 3.9Å; I113-I327 HydrophobicContact CG1-CD1 3.27Å; L172-I327 HydrophobicContact CD2-CG1 4.41Å; S323-I327 PolarHBondContact O-N 3.31Å; L324-I327 PolarHBondContact O-N 3.11Å; I327-L329 VanDerWaalsContact C-N 3.25Å; I327-L329 PolarHBondContact O-N 3.01Å; I327-I330 PolarHBondContact O-N 3.27Å; I327-I330 VanDerWaalsContact O-N 3.1Å; I327-V331 HydrophobicContact CG2-CG2 4.21Å; I327-V331 WeakPolarHBondContact O-CG2 3.41Å; I327-V331 PolarHBondContact O-N 2.94Å; I327-V362 HydrophobicContact CG2-CG1 3.88Å; I327-V366 HydrophobicContact CG2-CG2 4.08Å |
| 328 | R | 92.3 | Very high | 79.8 | Confident | 39 Ų | 39 | 45.3 Ų | 45.3 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -52.9 | -45.4 | 178 | -76.2 | -170.8 | -64.7 | -139.6 | -1.3 | 111.6 | L293 L324 P325 D326 C332 V366 | L293-R328 HydrophobicContact CD1-CG 4.14Å; L293-R328 HydrophobicContact CD2-CG 4.37Å; L324-R328 WeakPolarHBondContact O-CG 3.12Å; L324-R328 PolarHBondContact O-N 3.18Å; P325-R328 PolarHBondContact O-N 3.04Å; D326-R328 PolarHBondContact O-N 3.28Å; R328-C332 VanDerWaalsContact O-CB 3.23Å; R328-C332 WeakPolarHBondContact O-CB 3.22Å; R328-C332 PolarHBondContact O-N 3.38Å; R328-C332 PolarHBondContact O-SG 3.49Å; R328-V366 HydrophobicContact CG-CG1 3.66Å |
| 329 | L | 92.5 | Very high | 82.8 | Confident | 108 Ų | 108 | 43.2 Ų | 43.2 | 57% | 0.565 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -62.8 | -47.6 | 178.2 | -175 | 64.7 | 0 | 0 | 0 | 111.5 | P325 D326 I327 C332 I333 | P325-L329 WeakPolarHBondContact O-CB 3.28Å; P325-L329 PolarHBondContact O-N 2.87Å; D326-L329 WeakPolarHBondContact O-CB 3.46Å; D326-L329 PolarHBondContact O-N 3.46Å; I327-L329 VanDerWaalsContact C-N 3.25Å; I327-L329 PolarHBondContact O-N 3.01Å; L329-C332 PolarHBondContact O-N 2.67Å; L329-I333 HydrophobicContact CD1-CD1 3.6Å; L329-I333 HydrophobicContact CD1-CG1 4.03Å; L329-I333 HydrophobicContact CD2-CD1 4.46Å; L329-I333 HydrophobicContact CG-CD1 3.72Å; L329-I333 HydrophobicContact CG-CG1 4.39Å; L329-I333 WeakPolarHBondContact O-CB 3.48Å; L329-I333 VanDerWaalsContact O-CG1 3.3Å; L329-I333 WeakPolarHBondContact O-CG1 3.34Å; L329-I333 PolarHBondContact O-N 3.44Å |
| 330 | I | 94.6 | Very high | 85.3 | Confident | 16 Ų | 16 | 40.8 Ų | 40.8 | 8% | 0.082 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.2 | -51.6 | -179 | -68 | 165.2 | 0 | 0 | 0 | 111.2 | L168 W171 L172 D326 I327 S334 | L168-I330 HydrophobicContact CD1-CG2 3.81Å; W171-I330 HydrophobicContact CE3-CG2 4.25Å; W171-I330 HydrophobicContact CH2-CB 4.32Å; W171-I330 HydrophobicContact CH2-CD1 4.16Å; W171-I330 HydrophobicContact CH2-CG1 3.78Å; W171-I330 HydrophobicContact CH2-CG2 3.68Å; W171-I330 HydrophobicContact CZ2-CD1 3.87Å; W171-I330 HydrophobicContact CZ2-CG1 3.88Å; W171-I330 HydrophobicContact CZ2-CG2 4.45Å; W171-I330 HydrophobicContact CZ3-CG1 4.48Å; W171-I330 HydrophobicContact CZ3-CG2 3.57Å; L172-I330 HydrophobicContact CD2-CD1 4.18Å; D326-I330 VanDerWaalsContact O-CG1 3.27Å; D326-I330 WeakPolarHBondContact O-CG1 3.31Å; D326-I330 PolarHBondContact O-N 3.2Å; I327-I330 PolarHBondContact O-N 3.27Å; I327-I330 VanDerWaalsContact O-N 3.1Å; I330-S334 WeakPolarHBondContact O-CB 3.49Å; I330-S334 PolarHBondContact O-N 2.96Å; I330-S334 PolarHBondContact O-OG 2.87Å |
| 331 | V | 96.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.3 | -41.9 | 179.8 | -96.3 | 0 | 0 | 0 | 0 | 112.2 | I327 S334 L335 F359 V362 A363 | I327-V331 HydrophobicContact CG2-CG2 4.21Å; I327-V331 WeakPolarHBondContact O-CG2 3.41Å; I327-V331 PolarHBondContact O-N 2.94Å; V331-S334 PolarHBondContact O-N 3.3Å; V331-L335 WeakPolarHBondContact O-CB 3.47Å; V331-L335 VanDerWaalsContact O-CG 3.3Å; V331-L335 WeakPolarHBondContact O-CG 3.43Å; V331-L335 PolarHBondContact O-N 3.24Å; V331-F359 HydrophobicContact CG1-CB 3.84Å; V331-F359 HydrophobicContact CG1-CD1 3.84Å; V331-F359 HydrophobicContact CG1-CG 4.31Å; V331-F359 WeakPolarHBondContact CG1-O 3.49Å; V331-V362 HydrophobicContact CG1-CB 3.77Å; V331-V362 HydrophobicContact CG1-CG1 3.66Å; V331-V362 HydrophobicContact CG2-CG1 4.23Å; V331-A363 HydrophobicContact CB-CB 4.45Å |
| 332 | C | 96.4 | Very high | 90.5 | Very high | 12 Ų | 12 | 33.7 Ų | 33.7 | 8% | 0.081 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.2 | -47.2 | 179.5 | -70.5 | 0 | 0 | 0 | 0 | 111.8 | L294 R328 L329 S334 L335 V336 | L294-C332 HydrophobicContact CD1-CB 3.67Å; R328-C332 VanDerWaalsContact O-CB 3.23Å; R328-C332 WeakPolarHBondContact O-CB 3.22Å; R328-C332 PolarHBondContact O-N 3.38Å; R328-C332 PolarHBondContact O-SG 3.49Å; L329-C332 PolarHBondContact O-N 2.67Å; C332-S334 VanDerWaalsContact C-N 3.34Å; C332-S334 PolarHBondContact O-N 2.9Å; C332-L335 PolarHBondContact O-N 3.08Å; C332-V336 WeakPolarHBondContact O-CB 3.43Å; C332-V336 VanDerWaalsContact O-CG2 3.25Å; C332-V336 WeakPolarHBondContact O-CG2 3.12Å; C332-V336 PolarHBondContact O-N 3.5Å |
| 333 | I | 95.9 | Very high | 92.5 | Very high | 69 Ų | 69 | 34.5 Ų | 34.5 | 35% | 0.354 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 178 | -68.4 | 176 | 0 | 0 | 0 | 110.4 | P200 L329 L335 V336 I337 | P200-I333 HydrophobicContact CB-CG2 4.33Å; P200-I333 HydrophobicContact CG-CG2 3.91Å; L329-I333 HydrophobicContact CD1-CD1 3.6Å; L329-I333 HydrophobicContact CD1-CG1 4.03Å; L329-I333 HydrophobicContact CD2-CD1 4.46Å; L329-I333 HydrophobicContact CG-CD1 3.72Å; L329-I333 HydrophobicContact CG-CG1 4.39Å; L329-I333 WeakPolarHBondContact O-CB 3.48Å; L329-I333 VanDerWaalsContact O-CG1 3.3Å; L329-I333 WeakPolarHBondContact O-CG1 3.34Å; L329-I333 PolarHBondContact O-N 3.44Å; I333-L335 VanDerWaalsContact C-N 3.34Å; I333-L335 PolarHBondContact O-N 2.88Å; I333-V336 PolarHBondContact O-N 3.06Å; I333-I337 HydrophobicContact CG2-CD1 3.64Å; I333-I337 HydrophobicContact CG2-CG1 4.23Å; I333-I337 WeakPolarHBondContact O-CG1 3.12Å; I333-I337 PolarHBondContact O-N 3.02Å |
| 334 | S | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 179.6 | -55.1 | 0 | 0 | 0 | 0 | 111.6 | I330 V331 C332 W338 F359 | I330-S334 WeakPolarHBondContact O-CB 3.49Å; I330-S334 PolarHBondContact O-N 2.96Å; I330-S334 PolarHBondContact O-OG 2.87Å; V331-S334 PolarHBondContact O-N 3.3Å; C332-S334 VanDerWaalsContact C-N 3.34Å; C332-S334 PolarHBondContact O-N 2.9Å; S334-W338 WeakPolarHBondContact O-CB 3.47Å; S334-W338 PolarHBondContact O-N 3.25Å; S334-F359 VanDerWaalsContact CB-CD1 3.49Å; S334-F359 WeakPolarHBondContact OG-CE1 3.48Å |
| 335 | L | 97.7 | Very high | 94.2 | Very high | 14 Ų | 14 | 45 Ų | 45 | 7% | 0.073 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.7 | -40.3 | 177 | -70.4 | 172.5 | 0 | 0 | 0 | 112.4 | A290 V331 C332 I333 N339 C356 F359 I360 A363 | A290-L335 HydrophobicContact CB-CD1 4.37Å; V331-L335 WeakPolarHBondContact O-CB 3.47Å; V331-L335 VanDerWaalsContact O-CG 3.3Å; V331-L335 WeakPolarHBondContact O-CG 3.43Å; V331-L335 PolarHBondContact O-N 3.24Å; C332-L335 PolarHBondContact O-N 3.08Å; I333-L335 VanDerWaalsContact C-N 3.34Å; I333-L335 PolarHBondContact O-N 2.88Å; L335-N339 VanDerWaalsContact O-CB 3.26Å; L335-N339 WeakPolarHBondContact O-CB 3.38Å; L335-N339 PolarHBondContact O-N 2.89Å; L335-N339 PolarHBondContact O-ND2 3Å; L335-C356 HydrophobicContact CD2-CB 4.23Å; L335-F359 HydrophobicContact CD2-CB 3.85Å; L335-F359 HydrophobicContact CG-CB 3.95Å; L335-I360 HydrophobicContact CD2-CG1 3.64Å; L335-A363 HydrophobicContact CD1-CB 4.15Å |
| 336 | V | 97.4 | Very high | 94.6 | Very high | 78 Ų | 78 | 44.3 Ų | 44.3 | 47% | 0.473 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.6 | -46.6 | 178.1 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | L294 C332 I333 G340 | L294-V336 HydrophobicContact CD1-CG2 3.7Å; L294-V336 HydrophobicContact CD2-CG2 4.01Å; C332-V336 WeakPolarHBondContact O-CB 3.43Å; C332-V336 VanDerWaalsContact O-CG2 3.25Å; C332-V336 WeakPolarHBondContact O-CG2 3.12Å; C332-V336 PolarHBondContact O-N 3.5Å; I333-V336 PolarHBondContact O-N 3.06Å; V336-G340 WeakPolarHBondContact O-CA 3.27Å; V336-G340 PolarHBondContact O-N 3.05Å |
| 337 | I | 97.4 | Very high | 94.9 | Very high | 48 Ų | 48 | 41.6 Ų | 41.6 | 25% | 0.246 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.5 | -50.4 | 178.6 | -68.4 | 173.8 | 0 | 0 | 0 | 110.2 | V196 I199 P200 I333 G340 I341 | V196-I337 HydrophobicContact CG1-CG2 3.52Å; I199-I337 HydrophobicContact CG2-CD1 4.29Å; P200-I337 HydrophobicContact CG-CD1 4Å; I333-I337 HydrophobicContact CG2-CD1 3.64Å; I333-I337 HydrophobicContact CG2-CG1 4.23Å; I333-I337 WeakPolarHBondContact O-CG1 3.12Å; I333-I337 PolarHBondContact O-N 3.02Å; I337-G340 PolarHBondContact O-N 3.44Å; I337-I341 HydrophobicContact CG2-CD1 4.03Å; I337-I341 WeakPolarHBondContact O-CG1 3.42Å; I337-I341 PolarHBondContact O-N 3.25Å; I337-I341 VanDerWaalsContact O-N 3.13Å |
| 338 | W | 98.2 | Very high | 95 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 0% | 0.004 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.4 | -51.6 | -177.6 | -169.6 | -100.6 | 0 | 0 | 0 | 112.2 | W191 F193 A194 V196 L197 S334 G340 I341 F342 F352 P355 C356 | W191-W338 HydrophobicContact CE3-CH2 4.43Å; W191-W338 HydrophobicContact CH2-CH2 4.44Å; W191-W338 HydrophobicContact CH2-CZ2 4.43Å; W191-W338 AromaticContact CZ3-CH2 3.81Å; W191-W338 HydrophobicContact CZ3-CH2 3.81Å; W191-W338 AromaticContact CZ3-CZ2 3.89Å; W191-W338 HydrophobicContact CZ3-CZ2 3.89Å; F193-W338 WeakPolarHBondContact O-CZ3 3.4Å; A194-W338 HydrophobicContact CB-CH2 4.13Å; V196-W338 HydrophobicContact CB-CZ3 4.41Å; L197-W338 HydrophobicContact CD1-CD2 4.16Å; L197-W338 HydrophobicContact CD1-CE3 3.79Å; L197-W338 HydrophobicContact CD1-CH2 4.35Å; L197-W338 HydrophobicContact CD1-CZ3 3.9Å; L197-W338 HydrophobicContact CD2-CB 3.98Å; L197-W338 HydrophobicContact CD2-CD2 4.17Å; L197-W338 HydrophobicContact CD2-CE3 3.85Å; L197-W338 HydrophobicContact CD2-CG 4.28Å; L197-W338 HydrophobicContact CG-CD2 4.17Å; L197-W338 HydrophobicContact CG-CE3 3.5Å; L197-W338 VanDerWaalsContact CG-CE3 3.5Å; L197-W338 HydrophobicContact CG-CZ3 3.84Å; S334-W338 WeakPolarHBondContact O-CB 3.47Å; S334-W338 PolarHBondContact O-N 3.25Å; W338-G340 VanDerWaalsContact C-N 3.34Å; W338-G340 PolarHBondContact O-N 3.17Å; W338-I341 PolarHBondContact O-N 3.43Å; W338-F342 AromaticContact CD2-CD2 3.87Å; W338-F342 HydrophobicContact CD2-CD2 3.87Å; W338-F342 AromaticContact CD2-CE2 3.76Å; W338-F342 HydrophobicContact CD2-CE2 3.76Å; W338-F342 AromaticContact CE2-CD2 3.59Å; W338-F342 AromaticContact CE2-CE2 3.39Å; W338-F342 HydrophobicContact CE3-CD2 4.36Å; W338-F342 AromaticContact CE3-CE2 3.89Å; W338-F342 HydrophobicContact CE3-CE2 3.89Å; W338-F342 HydrophobicContact CG-CD2 4.25Å; W338-F342 HydrophobicContact CH2-CD2 4.42Å; W338-F342 AromaticContact CH2-CE2 3.41Å; W338-F342 HydrophobicContact CH2-CE2 3.41Å; W338-F342 VanDerWaalsContact CH2-CE2 3.41Å; W338-F342 AromaticContact CH2-CZ 3.94Å; W338-F342 HydrophobicContact CH2-CZ 3.94Å; W338-F342 AromaticContact CZ2-CD2 3.91Å; W338-F342 HydrophobicContact CZ2-CD2 3.91Å; W338-F342 AromaticContact CZ2-CE2 3.23Å; W338-F342 HydrophobicContact CZ2-CE2 3.23Å; W338-F342 AromaticContact CZ2-CZ 3.85Å; W338-F342 HydrophobicContact CZ2-CZ 3.85Å; W338-F342 AromaticContact CZ3-CE2 3.73Å; W338-F342 HydrophobicContact CZ3-CE2 3.73Å; W338-F342 AromaticContact NE1-CD2 3.72Å; W338-F342 AromaticContact NE1-CE2 3.99Å; W338-F342 WeakPolarHBondContact O-CD2 3.2Å; W338-F342 PolarHBondContact O-N 2.86Å; W338-F342 VanDerWaalsContact O-N 3.11Å; W338-F352 WeakPolarHBondContact CZ2-O 3.49Å; W338-F352 PolarHBondContact NE1-O 3.22Å; W338-P355 HydrophobicContact CH2-CB 3.9Å; W338-P355 HydrophobicContact CH2-CG 3.91Å; W338-P355 HydrophobicContact CZ2-CB 3.76Å; W338-P355 HydrophobicContact CZ2-CG 3.66Å; W338-C356 HydrophobicContact CB-CB 4.26Å; W338-C356 VanDerWaalsContact CD1-CB 3.43Å; W338-C356 HydrophobicContact CD2-CB 4.32Å; W338-C356 HydrophobicContact CG-CB 3.74Å |
| 339 | N | 97.4 | Very high | 95.1 | Very high | 32 Ų | 32 | 42.1 Ų | 42.1 | 17% | 0.171 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.1 | -37.5 | -179.1 | -74.7 | -78 | 0 | 0 | 0 | 111.6 | Y279 L335 I341 F342 F343 | Y279-N339 WeakPolarHBondContact CE2-OD1 3.35Å; Y279-N339 PolarHBondContact OH-ND2 3.45Å; Y279-N339 PolarHBondContact OH-OD1 3.48Å; L335-N339 VanDerWaalsContact O-CB 3.26Å; L335-N339 WeakPolarHBondContact O-CB 3.38Å; L335-N339 PolarHBondContact O-N 2.89Å; L335-N339 PolarHBondContact O-ND2 3Å; N339-I341 VanDerWaalsContact C-N 3.32Å; N339-I341 PolarHBondContact O-N 3.39Å; N339-F342 PolarHBondContact O-N 3.49Å; N339-F343 HydrophobicContact CB-CD2 3.99Å; N339-F343 HydrophobicContact CB-CE2 4.17Å; N339-F343 WeakPolarHBondContact O-CB 3.48Å; N339-F343 VanDerWaalsContact O-CD2 3.25Å; N339-F343 WeakPolarHBondContact O-CD2 3.33Å; N339-F343 PolarHBondContact O-N 3.42Å; N339-F343 WeakPolarHBondContact OD1-CE2 3.26Å |
| 340 | G | 96.4 | Very high | 95.2 | Very high | 34 Ų | 34 | 40.2 Ų | 40.2 | 35% | 0.351 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -55.7 | -47.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V336 I337 W338 L344 | V336-G340 WeakPolarHBondContact O-CA 3.27Å; V336-G340 PolarHBondContact O-N 3.05Å; I337-G340 PolarHBondContact O-N 3.44Å; W338-G340 VanDerWaalsContact C-N 3.34Å; W338-G340 PolarHBondContact O-N 3.17Å; G340-L344 WeakPolarHBondContact O-CB 3.22Å; G340-L344 WeakPolarHBondContact O-CD1 3.21Å; G340-L344 WeakPolarHBondContact O-CG 3.14Å; G340-L344 PolarHBondContact O-N 3.14Å |
| 341 | I | 95.2 | Very high | 95.2 | Very high | 68 Ų | 68 | 40.6 Ų | 40.6 | 35% | 0.349 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.3 | -52.8 | -179.7 | -68.5 | 164.6 | 0 | 0 | 0 | 111.3 | V196 I337 W338 N339 L344 Q345 | V196-I341 HydrophobicContact CB-CD1 4.47Å; V196-I341 HydrophobicContact CG1-CD1 3.45Å; V196-I341 VanDerWaalsContact CG1-CD1 3.45Å; V196-I341 HydrophobicContact CG2-CD1 4.28Å; I337-I341 HydrophobicContact CG2-CD1 4.03Å; I337-I341 WeakPolarHBondContact O-CG1 3.42Å; I337-I341 PolarHBondContact O-N 3.25Å; I337-I341 VanDerWaalsContact O-N 3.13Å; W338-I341 PolarHBondContact O-N 3.43Å; N339-I341 VanDerWaalsContact C-N 3.32Å; N339-I341 PolarHBondContact O-N 3.39Å; I341-L344 PolarHBondContact O-N 2.98Å; I341-Q345 PolarHBondContact O-N 3.06Å |
| 342 | F | 95 | Very high | 95.2 | Very high | 16 Ų | 16 | 41.9 Ų | 41.9 | 7% | 0.07 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -74.5 | -36.9 | -172.6 | -79 | -78.2 | 0 | 0 | 0 | 113.1 | W191 F193 Y275 W338 N339 L344 Q345 F352 | W191-F342 AromaticContact CH2-CE1 3.88Å; W191-F342 HydrophobicContact CH2-CE1 3.88Å; W191-F342 HydrophobicContact CH2-CE2 4.5Å; W191-F342 AromaticContact CH2-CZ 3.49Å; W191-F342 HydrophobicContact CH2-CZ 3.49Å; W191-F342 VanDerWaalsContact CH2-CZ 3.49Å; W191-F342 HydrophobicContact CZ2-CE1 4.38Å; W191-F342 HydrophobicContact CZ2-CZ 4.16Å; W191-F342 HydrophobicContact CZ3-CZ 4.24Å; F193-F342 HydrophobicContact CB-CZ 4.5Å; Y275-F342 HydrophobicContact CE2-CB 3.93Å; Y275-F342 WeakPolarHBondContact CE2-O 3.47Å; W338-F342 AromaticContact CD2-CD2 3.87Å; W338-F342 HydrophobicContact CD2-CD2 3.87Å; W338-F342 AromaticContact CD2-CE2 3.76Å; W338-F342 HydrophobicContact CD2-CE2 3.76Å; W338-F342 AromaticContact CE2-CD2 3.59Å; W338-F342 AromaticContact CE2-CE2 3.39Å; W338-F342 HydrophobicContact CE3-CD2 4.36Å; W338-F342 AromaticContact CE3-CE2 3.89Å; W338-F342 HydrophobicContact CE3-CE2 3.89Å; W338-F342 HydrophobicContact CG-CD2 4.25Å; W338-F342 HydrophobicContact CH2-CD2 4.42Å; W338-F342 AromaticContact CH2-CE2 3.41Å; W338-F342 HydrophobicContact CH2-CE2 3.41Å; W338-F342 VanDerWaalsContact CH2-CE2 3.41Å; W338-F342 AromaticContact CH2-CZ 3.94Å; W338-F342 HydrophobicContact CH2-CZ 3.94Å; W338-F342 AromaticContact CZ2-CD2 3.91Å; W338-F342 HydrophobicContact CZ2-CD2 3.91Å; W338-F342 AromaticContact CZ2-CE2 3.23Å; W338-F342 HydrophobicContact CZ2-CE2 3.23Å; W338-F342 AromaticContact CZ2-CZ 3.85Å; W338-F342 HydrophobicContact CZ2-CZ 3.85Å; W338-F342 AromaticContact CZ3-CE2 3.73Å; W338-F342 HydrophobicContact CZ3-CE2 3.73Å; W338-F342 AromaticContact NE1-CD2 3.72Å; W338-F342 AromaticContact NE1-CE2 3.99Å; W338-F342 WeakPolarHBondContact O-CD2 3.2Å; W338-F342 PolarHBondContact O-N 2.86Å; W338-F342 VanDerWaalsContact O-N 3.11Å; N339-F342 PolarHBondContact O-N 3.49Å; F342-L344 PolarHBondContact O-N 3.47Å; F342-Q345 WeakPolarHBondContact O-CB 3.49Å; F342-Q345 PolarHBondContact O-N 3Å; F342-Q345 VanDerWaalsContact O-N 3.08Å; F342-F352 HydrophobicContact CD1-CB 3.83Å; F342-F352 AromaticContact CD1-CD2 3.97Å; F342-F352 HydrophobicContact CD1-CD2 3.97Å; F342-F352 HydrophobicContact CD1-CG 4.15Å; F342-F352 HydrophobicContact CE1-CB 3.76Å; F342-F352 AromaticContact CE1-CD2 3.93Å; F342-F352 HydrophobicContact CE1-CD2 3.93Å; F342-F352 AromaticContact CE1-CG 3.85Å; F342-F352 HydrophobicContact CE1-CG 3.85Å; F342-F352 HydrophobicContact CZ-CB 4.46Å |
| 343 | F | 95.5 | Very high | 95.3 | Very high | 48 Ų | 48 | 41.3 Ų | 41.3 | 21% | 0.211 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -29.2 | 177 | -83.6 | -118.2 | 0 | 0 | 0 | 112.3 | I272 Y275 I276 Y279 N339 Q345 | I272-F343 HydrophobicContact CG2-CD1 3.73Å; I272-F343 HydrophobicContact CG2-CE1 4.02Å; Y275-F343 VanDerWaalsContact CB-CE2 3.49Å; Y275-F343 AromaticContact CD2-CD2 3.63Å; Y275-F343 HydrophobicContact CD2-CD2 3.63Å; Y275-F343 AromaticContact CD2-CE2 3.7Å; Y275-F343 HydrophobicContact CD2-CE2 3.7Å; Y275-F343 HydrophobicContact CD2-CG 4.08Å; Y275-F343 HydrophobicContact CD2-CZ 4.22Å; Y275-F343 HydrophobicContact CE2-CD2 4.41Å; Y275-F343 HydrophobicContact CG-CD2 4.34Å; Y275-F343 AromaticContact CG-CE2 3.93Å; Y275-F343 HydrophobicContact CG-CE2 3.93Å; Y275-F343 HydrophobicContact CG-CZ 4.2Å; I276-F343 HydrophobicContact CG1-CE1 4.25Å; Y279-F343 HydrophobicContact CD2-CZ 4.4Å; Y279-F343 AromaticContact CE2-CE2 3.95Å; Y279-F343 HydrophobicContact CE2-CE2 3.95Å; Y279-F343 HydrophobicContact CE2-CZ 4.05Å; N339-F343 HydrophobicContact CB-CD2 3.99Å; N339-F343 HydrophobicContact CB-CE2 4.17Å; N339-F343 WeakPolarHBondContact O-CB 3.48Å; N339-F343 VanDerWaalsContact O-CD2 3.25Å; N339-F343 WeakPolarHBondContact O-CD2 3.33Å; N339-F343 PolarHBondContact O-N 3.42Å; N339-F343 WeakPolarHBondContact OD1-CE2 3.26Å; F343-Q345 VanDerWaalsContact C-N 3.34Å |
| 344 | L | 93.3 | Very high | 95.4 | Very high | 150 Ų | 150 | 38.5 Ų | 38.5 | 79% | 0.785 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -74.8 | -20.3 | 174.9 | -71.3 | 172.8 | 0 | 0 | 0 | 113.2 | G340 I341 F342 | G340-L344 WeakPolarHBondContact O-CB 3.22Å; G340-L344 WeakPolarHBondContact O-CD1 3.21Å; G340-L344 WeakPolarHBondContact O-CG 3.14Å; G340-L344 PolarHBondContact O-N 3.14Å; I341-L344 PolarHBondContact O-N 2.98Å; F342-L344 PolarHBondContact O-N 3.47Å |
| 345 | Q | 91.1 | Very high | 95.4 | Very high | 79 Ų | 79 | 38.5 Ų | 38.5 | 37% | 0.369 | 20% | 0.203 | S | C | . | . | trans | -71.6 | 136.8 | 175.2 | -64.5 | -56.2 | -51.3 | 0 | 0 | 110.8 | I341 F342 F343 K348 | I341-Q345 PolarHBondContact O-N 3.06Å; F342-Q345 WeakPolarHBondContact O-CB 3.49Å; F342-Q345 PolarHBondContact O-N 3Å; F342-Q345 VanDerWaalsContact O-N 3.08Å; F343-Q345 VanDerWaalsContact C-N 3.34Å; Q345-K348 WeakPolarHBondContact O-CE 3.16Å; Q345-K348 PolarHBondContact O-NZ 3.25Å | ||
| 346 | S | 90.2 | Very high | 95.4 | Very high | 36 Ų | 36 | 37.8 Ų | 37.8 | 25% | 0.252 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -73 | -44.8 | 176.9 | 51.5 | 0 | 0 | 0 | 0 | 112.1 | Q265 T269 E270 | Q265-S346 VanDerWaalsContact CG-OG 3.32Å; Q265-S346 WeakPolarHBondContact CG-OG 3.27Å; Q265-S346 PolarHBondContact NE2-OG 3.34Å; T269-S346 WeakPolarHBondContact CA-O 3.25Å; E270-S346 PolarHBondContact N-O 2.86Å; E270-S346 VanDerWaalsContact N-O 3.08Å |
| 347 | H | 90.6 | Very high | 95.4 | Very high | 20 Ų | 20 | 34.1 Ų | 34.1 | 9% | 0.093 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -74.3 | 130.2 | 170 | 178.6 | -100.9 | 0 | 0 | 0 | 110.1 | S264 G268 E349 F352 | S264-H347 PolarHBondContact O-CD2 3.37Å; G268-H347 PolarHBondContact O-CD2 2.89Å; G268-H347 VanDerWaalsContact O-CD2 3.26Å; H347-E349 VanDerWaalsContact CE1-CG 3.48Å; H347-E349 WeakPolarHBondContact CE1-CG 3.24Å; H347-E349 IonicContact CE1-OE1 2.71Å; H347-E349 PolarHBondContact CE1-OE1 2.99Å; H347-E349 IonicContact NE2-OE1 3.91Å; H347-F352 AromaticContact ND1-CE2 3.78Å |
| 348 | K | 94 | Very high | 95.5 | Very high | 16 Ų | 16 | 32.4 Ų | 32.4 | 7% | 0.07 | 17% | 0.169 | C | C | . | . | trans | -137.5 | 142.4 | -176.6 | -59 | 178.9 | 176.2 | 59.3 | 0 | 109.6 | E270 F274 Y275 Q345 | E270-K348 HydrophobicContact CB-CB 4.08Å; E270-K348 HydrophobicContact CB-CD 4.16Å; E270-K348 HydrophobicContact CB-CG 4.38Å; E270-K348 PolarHBondContact O-NZ 2.71Å; F274-K348 HydrophobicContact CB-CD 4.11Å; F274-K348 HydrophobicContact CD1-CB 3.7Å; F274-K348 HydrophobicContact CD1-CD 4.2Å; F274-K348 HydrophobicContact CE1-CB 4.02Å; F274-K348 HydrophobicContact CG-CB 4.38Å; F274-K348 HydrophobicContact CG-CD 4.49Å; Y275-K348 HydrophobicContact CD2-CD 3.8Å; Y275-K348 HydrophobicContact CD2-CG 4.27Å; Y275-K348 HydrophobicContact CE1-CB 3.93Å; Y275-K348 HydrophobicContact CE1-CG 4.44Å; Y275-K348 HydrophobicContact CE2-CB 4Å; Y275-K348 HydrophobicContact CE2-CD 3.68Å; Y275-K348 HydrophobicContact CE2-CG 3.61Å; Y275-K348 HydrophobicContact CG-CD 4.32Å; Y275-K348 WeakPolarHBondContact OH-CA 3.31Å; Q345-K348 WeakPolarHBondContact O-CE 3.16Å; Q345-K348 PolarHBondContact O-NZ 3.25Å | ||
| 349 | E | 94 | Very high | 95.5 | Very high | 39 Ų | 39 | 32.3 Ų | 32.3 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | trans | -140.7 | 148.3 | 177.5 | -63.9 | -167.7 | -112.1 | 0 | 0 | 110.7 | Y275 H347 R351 F352 | Y275-E349 WeakPolarHBondContact CE1-O 3.38Å; H347-E349 VanDerWaalsContact CE1-CG 3.48Å; H347-E349 WeakPolarHBondContact CE1-CG 3.24Å; H347-E349 IonicContact CE1-OE1 2.71Å; H347-E349 PolarHBondContact CE1-OE1 2.99Å; H347-E349 IonicContact NE2-OE1 3.91Å; E349-R351 VanDerWaalsContact C-N 3.28Å; E349-R351 HydrophobicContact CB-CG 4Å; E349-R351 PolarHBondContact O-N 3.44Å; E349-R351 IonicContact OE1-CZ 2.66Å; E349-R351 VanDerWaalsContact OE1-CZ 3.31Å; E349-R351 IonicContact OE1-NE 3.43Å; E349-R351 PolarHBondContact OE1-NE 2.93Å; E349-R351 IonicContact OE1-NH2 2.72Å; E349-R351 PolarHBondContact OE1-NH2 3.44Å; E349-R351 IonicContact OE2-CZ 3.67Å; E349-R351 IonicContact OE2-NE 2.84Å; E349-R351 PolarHBondContact OE2-NE 2.97Å; E349-R351 IonicContact OE2-NH1 2.74Å; E349-R351 PolarHBondContact OE2-NH1 3.3Å; E349-R351 VanDerWaalsContact OE2-NH1 3.17Å; E349-R351 IonicContact OE2-NH2 3.18Å; E349-R351 PolarHBondContact OE2-NH2 3.18Å; E349-F352 HydrophobicContact CB-CD1 4.28Å; E349-F352 HydrophobicContact CB-CD2 3.86Å; E349-F352 HydrophobicContact CB-CE1 4.19Å; E349-F352 HydrophobicContact CB-CE2 3.77Å; E349-F352 HydrophobicContact CB-CG 4.11Å; E349-F352 HydrophobicContact CB-CZ 3.94Å; E349-F352 HydrophobicContact CG-CD2 4.36Å; E349-F352 HydrophobicContact CG-CE1 4.43Å; E349-F352 HydrophobicContact CG-CE2 3.77Å; E349-F352 HydrophobicContact CG-CZ 3.81Å; E349-F352 PolarHBondContact O-N 3.13Å; E349-F352 WeakPolarHBondContact OE1-CZ 3.4Å | ||
| 350 | E | 93.7 | Very high | 95.5 | Very high | 68 Ų | 68 | 31 Ų | 31 | 32% | 0.318 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -55.7 | -46 | -177 | -175.1 | -179.5 | 154.4 | 0 | 0 | 112.2 | N278 N282 F352 L353 | N278-E350 WeakPolarHBondContact ND2-CA 3.34Å; N278-E350 PolarHBondContact ND2-O 3.46Å; N282-E350 VanDerWaalsContact ND2-CD 3.35Å; N282-E350 WeakPolarHBondContact ND2-CG 3.26Å; N282-E350 PolarHBondContact ND2-OE1 3.45Å; E350-F352 PolarHBondContact O-N 2.62Å; E350-L353 PolarHBondContact O-N 3.43Å |
| 351 | R | 95.4 | Very high | 95.6 | Very high | 23 Ų | 23 | 29.4 Ų | 29.4 | 9% | 0.087 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -61.5 | -22.7 | -176.8 | 63 | 170 | 176.4 | -133.3 | 8.9 | 114.6 | D26 D28 S157 E349 L353 F354 | D26-R351 IonicContact OD1-NH1 3.95Å; D26-R351 PolarHBondContact OD1-NH1 3.23Å; D26-R351 VanDerWaalsContact OD2-CD 3.3Å; D26-R351 WeakPolarHBondContact OD2-CD 3.18Å; D26-R351 IonicContact OD2-CZ 3.54Å; D26-R351 IonicContact OD2-NE 3.56Å; D26-R351 IonicContact OD2-NH1 3.98Å; D26-R351 PolarHBondContact OD2-NH1 2.98Å; D28-R351 VanDerWaalsContact CB-NH1 3.27Å; D28-R351 IonicContact OD2-CZ 3.95Å; D28-R351 IonicContact OD2-NH1 3.77Å; D28-R351 PolarHBondContact OD2-NH1 3.46Å; D28-R351 IonicContact OD2-NH2 3.14Å; D28-R351 PolarHBondContact OD2-NH2 3.31Å; S157-R351 WeakPolarHBondContact CB-O 3.2Å; S157-R351 PolarHBondContact OG-O 3.06Å; E349-R351 VanDerWaalsContact C-N 3.28Å; E349-R351 HydrophobicContact CB-CG 4Å; E349-R351 PolarHBondContact O-N 3.44Å; E349-R351 IonicContact OE1-CZ 2.66Å; E349-R351 VanDerWaalsContact OE1-CZ 3.31Å; E349-R351 IonicContact OE1-NE 3.43Å; E349-R351 PolarHBondContact OE1-NE 2.93Å; E349-R351 IonicContact OE1-NH2 2.72Å; E349-R351 PolarHBondContact OE1-NH2 3.44Å; E349-R351 IonicContact OE2-CZ 3.67Å; E349-R351 IonicContact OE2-NE 2.84Å; E349-R351 PolarHBondContact OE2-NE 2.97Å; E349-R351 IonicContact OE2-NH1 2.74Å; E349-R351 PolarHBondContact OE2-NH1 3.3Å; E349-R351 VanDerWaalsContact OE2-NH1 3.17Å; E349-R351 IonicContact OE2-NH2 3.18Å; E349-R351 PolarHBondContact OE2-NH2 3.18Å; R351-L353 PolarHBondContact O-N 2.91Å; R351-F354 HydrophobicContact CB-CE2 4.32Å; R351-F354 HydrophobicContact CB-CZ 4.44Å; R351-F354 WeakPolarHBondContact O-CG 3.16Å; R351-F354 PolarHBondContact O-N 3.34Å |
| 352 | F | 97 | Very high | 95.7 | Very high | 29 Ų | 29 | 26.2 Ų | 26.2 | 13% | 0.127 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -68 | -17.7 | -178.2 | -65.7 | -18 | 0 | 0 | 0 | 112.5 | W191 Y275 W338 F342 H347 E349 E350 | W191-F352 HydrophobicContact CH2-CB 4.14Å; W191-F352 AromaticContact CH2-CD1 3.57Å; W191-F352 HydrophobicContact CH2-CD1 3.57Å; W191-F352 HydrophobicContact CH2-CE1 4.31Å; W191-F352 HydrophobicContact CH2-CG 4.06Å; W191-F352 AromaticContact CZ2-CD1 3.69Å; W191-F352 HydrophobicContact CZ2-CD1 3.69Å; W191-F352 AromaticContact CZ2-CE1 3.96Å; W191-F352 HydrophobicContact CZ2-CE1 3.96Å; W191-F352 HydrophobicContact CZ2-CG 4.46Å; Y275-F352 WeakPolarHBondContact OH-CD2 3.32Å; W338-F352 WeakPolarHBondContact CZ2-O 3.49Å; W338-F352 PolarHBondContact NE1-O 3.22Å; F342-F352 HydrophobicContact CD1-CB 3.83Å; F342-F352 AromaticContact CD1-CD2 3.97Å; F342-F352 HydrophobicContact CD1-CD2 3.97Å; F342-F352 HydrophobicContact CD1-CG 4.15Å; F342-F352 HydrophobicContact CE1-CB 3.76Å; F342-F352 AromaticContact CE1-CD2 3.93Å; F342-F352 HydrophobicContact CE1-CD2 3.93Å; F342-F352 AromaticContact CE1-CG 3.85Å; F342-F352 HydrophobicContact CE1-CG 3.85Å; F342-F352 HydrophobicContact CZ-CB 4.46Å; H347-F352 AromaticContact ND1-CE2 3.78Å; E349-F352 HydrophobicContact CB-CD1 4.28Å; E349-F352 HydrophobicContact CB-CD2 3.86Å; E349-F352 HydrophobicContact CB-CE1 4.19Å; E349-F352 HydrophobicContact CB-CE2 3.77Å; E349-F352 HydrophobicContact CB-CG 4.11Å; E349-F352 HydrophobicContact CB-CZ 3.94Å; E349-F352 HydrophobicContact CG-CD2 4.36Å; E349-F352 HydrophobicContact CG-CE1 4.43Å; E349-F352 HydrophobicContact CG-CE2 3.77Å; E349-F352 HydrophobicContact CG-CZ 3.81Å; E349-F352 PolarHBondContact O-N 3.13Å; E349-F352 WeakPolarHBondContact OE1-CZ 3.4Å; E350-F352 PolarHBondContact O-N 2.62Å |
| 353 | L | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -87.5 | -11.8 | 178.3 | -57.1 | -171.9 | 0 | 0 | 0 | 113.8 | Y275 N278 Y279 E350 R351 P355 C356 Y357 | Y275-L353 HydrophobicContact CD1-CD1 3.59Å; Y275-L353 HydrophobicContact CD1-CD2 4.01Å; Y275-L353 HydrophobicContact CD1-CG 3.85Å; Y275-L353 HydrophobicContact CE1-CD1 4.19Å; Y275-L353 HydrophobicContact CE1-CD2 3.97Å; Y275-L353 HydrophobicContact CE1-CG 3.92Å; Y275-L353 HydrophobicContact CG-CD1 4.12Å; Y275-L353 HydrophobicContact CG-CD2 4.34Å; N278-L353 HydrophobicContact CB-CD1 4.19Å; N278-L353 WeakPolarHBondContact ND2-CD1 3.31Å; Y279-L353 HydrophobicContact CD1-CD1 4.04Å; Y279-L353 HydrophobicContact CD2-CD1 4.24Å; Y279-L353 HydrophobicContact CE1-CB 4.29Å; Y279-L353 HydrophobicContact CE1-CD1 3.64Å; Y279-L353 HydrophobicContact CE1-CG 4.45Å; Y279-L353 HydrophobicContact CE2-CD1 3.91Å; Y279-L353 HydrophobicContact CG-CD1 4.3Å; E350-L353 PolarHBondContact O-N 3.43Å; R351-L353 PolarHBondContact O-N 2.91Å; L353-P355 VanDerWaalsContact C-CD 3.48Å; L353-C356 PolarHBondContact O-N 3.41Å; L353-C356 PolarHBondContact O-SG 2.94Å; L353-Y357 HydrophobicContact CB-CE1 3.8Å; L353-Y357 WeakPolarHBondContact O-CD1 3.3Å; L353-Y357 VanDerWaalsContact O-CE1 3.27Å; L353-Y357 WeakPolarHBondContact O-CE1 3.3Å |
| 354 | F | 97.9 | Very high | 95.9 | Very high | 9 Ų | 9 | 23.2 Ų | 23.2 | 4% | 0.039 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -55.8 | -44.2 | -175.6 | -64.5 | -1 | 0 | 0 | 0 | 113.4 | S150 T153 S157 A161 R351 C356 Y357 | S150-F354 VanDerWaalsContact CB-CD2 3.46Å; T153-F354 HydrophobicContact CG2-CE2 4.25Å; S157-F354 WeakPolarHBondContact O-CB 3.5Å; S157-F354 WeakPolarHBondContact OG-CD2 3.39Å; A161-F354 VanDerWaalsContact CB-O 3.27Å; A161-F354 WeakPolarHBondContact CB-O 3.46Å; R351-F354 HydrophobicContact CB-CE2 4.32Å; R351-F354 HydrophobicContact CB-CZ 4.44Å; R351-F354 WeakPolarHBondContact O-CG 3.16Å; R351-F354 PolarHBondContact O-N 3.34Å; F354-C356 PolarHBondContact O-N 2.96Å; F354-C356 VanDerWaalsContact O-N 3.08Å; F354-Y357 HydrophobicContact CB-CD2 4.47Å; F354-Y357 HydrophobicContact CB-CE2 4.38Å; F354-Y357 HydrophobicContact CD1-CD2 4.24Å; F354-Y357 AromaticContact CD1-CE2 3.37Å; F354-Y357 HydrophobicContact CD1-CE2 3.37Å; F354-Y357 AromaticContact CD1-CZ 3.58Å; F354-Y357 WeakPolarHBondContact CD1-OH 3.44Å; F354-Y357 AromaticContact CE1-CE2 3.94Å; F354-Y357 HydrophobicContact CE1-CE2 3.94Å; F354-Y357 HydrophobicContact CG-CE2 4.14Å; F354-Y357 WeakPolarHBondContact O-CB 3.3Å; F354-Y357 PolarHBondContact O-N 3.29Å |
| 355 | P | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.079 | C | C | . | . | G | 310 helix | trans | -62.7 | -23.6 | -174.8 | -25.8 | 37.4 | 0 | 0 | 0 | 114.8 | T164 W191 A194 L197 W338 L353 | T164-P355 HydrophobicContact CG2-CB 4.46Å; T164-P355 PolarHBondContact OG1-O 3.38Å; W191-P355 HydrophobicContact CE3-CG 3.92Å; W191-P355 HydrophobicContact CZ3-CG 3.75Å; A194-P355 HydrophobicContact CB-CB 4.21Å; A194-P355 HydrophobicContact CB-CG 4.2Å; L197-P355 HydrophobicContact CD1-CB 3.68Å; L197-P355 WeakPolarHBondContact CD1-O 3.41Å; W338-P355 HydrophobicContact CH2-CB 3.9Å; W338-P355 HydrophobicContact CH2-CG 3.91Å; W338-P355 HydrophobicContact CZ2-CB 3.76Å; W338-P355 HydrophobicContact CZ2-CG 3.66Å; L353-P355 VanDerWaalsContact C-CD 3.48Å |
| 356 | C | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | -91.5 | -6.1 | 179.5 | 77.8 | 0 | 0 | 0 | 0 | 113.8 | Y279 L335 W338 L353 F354 P358 F359 I360 | Y279-C356 PolarHBondContact OH-SG 3.3Å; L335-C356 HydrophobicContact CD2-CB 4.23Å; W338-C356 HydrophobicContact CB-CB 4.26Å; W338-C356 VanDerWaalsContact CD1-CB 3.43Å; W338-C356 HydrophobicContact CD2-CB 4.32Å; W338-C356 HydrophobicContact CG-CB 3.74Å; L353-C356 PolarHBondContact O-N 3.41Å; L353-C356 PolarHBondContact O-SG 2.94Å; F354-C356 PolarHBondContact O-N 2.96Å; F354-C356 VanDerWaalsContact O-N 3.08Å; C356-P358 VanDerWaalsContact C-CD 3.46Å; C356-F359 WeakPolarHBondContact O-CB 3.49Å; C356-F359 PolarHBondContact O-N 3.43Å; C356-I360 PolarHBondContact O-N 2.98Å |
| 357 | Y | 98.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -56.4 | -40.2 | -178.7 | -70.5 | -6.6 | 0 | 0 | 0 | 114.7 | N147 Y279 Q283 L353 F354 F359 I360 S361 | N147-Y357 VanDerWaalsContact OD1-CB 3.25Å; N147-Y357 WeakPolarHBondContact OD1-CB 3.28Å; N147-Y357 WeakPolarHBondContact OD1-CD2 3.43Å; Y279-Y357 HydrophobicContact CE1-CE1 4.43Å; Q283-Y357 HydrophobicContact CG-CD1 4.36Å; Q283-Y357 HydrophobicContact CG-CE1 4.18Å; Q283-Y357 VanDerWaalsContact NE2-CD2 3.28Å; L353-Y357 HydrophobicContact CB-CE1 3.8Å; L353-Y357 WeakPolarHBondContact O-CD1 3.3Å; L353-Y357 VanDerWaalsContact O-CE1 3.27Å; L353-Y357 WeakPolarHBondContact O-CE1 3.3Å; F354-Y357 HydrophobicContact CB-CD2 4.47Å; F354-Y357 HydrophobicContact CB-CE2 4.38Å; F354-Y357 HydrophobicContact CD1-CD2 4.24Å; F354-Y357 AromaticContact CD1-CE2 3.37Å; F354-Y357 HydrophobicContact CD1-CE2 3.37Å; F354-Y357 AromaticContact CD1-CZ 3.58Å; F354-Y357 WeakPolarHBondContact CD1-OH 3.44Å; F354-Y357 AromaticContact CE1-CE2 3.94Å; F354-Y357 HydrophobicContact CE1-CE2 3.94Å; F354-Y357 HydrophobicContact CG-CE2 4.14Å; F354-Y357 WeakPolarHBondContact O-CB 3.3Å; F354-Y357 PolarHBondContact O-N 3.29Å; Y357-F359 PolarHBondContact O-N 2.72Å; Y357-I360 HydrophobicContact CD1-CD1 4.1Å; Y357-I360 WeakPolarHBondContact O-CB 3.28Å; Y357-I360 PolarHBondContact O-N 2.7Å; Y357-S361 PolarHBondContact O-N 2.9Å; Y357-S361 PolarHBondContact O-OG 3.19Å |
| 358 | P | 98.1 | Very high | 96.6 | Very high | 12 Ų | 12 | 10.8 Ų | 10.8 | 8% | 0.078 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -57.5 | -34.4 | 175.4 | -23.9 | 32.6 | 0 | 0 | 0 | 113.2 | L105 A161 A165 C356 S361 V362 | L105-P358 HydrophobicContact CD2-CB 4.1Å; A161-P358 HydrophobicContact CB-CG 4.5Å; A161-P358 WeakPolarHBondContact O-CG 3.18Å; A165-P358 HydrophobicContact CB-CB 3.87Å; A165-P358 HydrophobicContact CB-CG 3.86Å; C356-P358 VanDerWaalsContact C-CD 3.46Å; P358-S361 PolarHBondContact O-N 3.29Å; P358-V362 VanDerWaalsContact O-CG2 3.3Å; P358-V362 WeakPolarHBondContact O-CG2 3.5Å; P358-V362 PolarHBondContact O-N 3.07Å |
| 359 | F | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -73 | -34.8 | 178.8 | -59 | -90.2 | 0 | 0 | 0 | 111.7 | M167 L168 L197 V331 S334 L335 C356 Y357 A363 | M167-F359 HydrophobicContact CE-CE1 4.36Å; M167-F359 HydrophobicContact CE-CZ 3.99Å; L168-F359 HydrophobicContact CD2-CD1 4.34Å; L168-F359 HydrophobicContact CD2-CE1 4.2Å; L197-F359 HydrophobicContact CB-CE2 4.47Å; L197-F359 HydrophobicContact CD1-CE2 4.08Å; L197-F359 HydrophobicContact CD2-CD2 4.43Å; L197-F359 HydrophobicContact CD2-CE2 4Å; L197-F359 HydrophobicContact CD2-CZ 4.41Å; L197-F359 HydrophobicContact CG-CE2 4.42Å; V331-F359 HydrophobicContact CG1-CB 3.84Å; V331-F359 HydrophobicContact CG1-CD1 3.84Å; V331-F359 HydrophobicContact CG1-CG 4.31Å; V331-F359 WeakPolarHBondContact CG1-O 3.49Å; S334-F359 VanDerWaalsContact CB-CD1 3.49Å; S334-F359 WeakPolarHBondContact OG-CE1 3.48Å; L335-F359 HydrophobicContact CD2-CB 3.85Å; L335-F359 HydrophobicContact CG-CB 3.95Å; C356-F359 WeakPolarHBondContact O-CB 3.49Å; C356-F359 PolarHBondContact O-N 3.43Å; Y357-F359 PolarHBondContact O-N 2.72Å; F359-A363 WeakPolarHBondContact O-CB 3.38Å; F359-A363 PolarHBondContact O-N 2.83Å |
| 360 | I | 98.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 9.8 Ų | 9.8 | 2% | 0.021 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -61.7 | -52.4 | 170.8 | -60.4 | 178.6 | 0 | 0 | 0 | 109 | Y279 Q283 L286 A290 L335 C356 Y357 V362 A363 S364 | Y279-I360 HydrophobicContact CD1-CD1 3.85Å; Y279-I360 HydrophobicContact CE1-CD1 3.33Å; Q283-I360 HydrophobicContact CG-CD1 4.22Å; Q283-I360 HydrophobicContact CG-CG2 4.49Å; L286-I360 HydrophobicContact CB-CG2 4.34Å; A290-I360 HydrophobicContact CB-CG2 3.96Å; L335-I360 HydrophobicContact CD2-CG1 3.64Å; C356-I360 PolarHBondContact O-N 2.98Å; Y357-I360 HydrophobicContact CD1-CD1 4.1Å; Y357-I360 WeakPolarHBondContact O-CB 3.28Å; Y357-I360 PolarHBondContact O-N 2.7Å; I360-V362 VanDerWaalsContact C-N 3.32Å; I360-V362 PolarHBondContact O-N 2.96Å; I360-A363 WeakPolarHBondContact O-CB 3.5Å; I360-A363 PolarHBondContact O-N 2.84Å; I360-A363 VanDerWaalsContact O-N 3.08Å; I360-S364 PolarHBondContact O-N 3.05Å; I360-S364 PolarHBondContact O-OG 3.25Å |
| 361 | S | 97.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 9 Ų | 9 | 1% | 0.007 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -57.9 | -42.6 | -179.8 | -59.3 | 0 | 0 | 0 | 0 | 112.7 | L137 C140 C141 N147 Y357 P358 A365 | L137-S361 WeakPolarHBondContact CD1-O 3.48Å; C140-S361 PolarHBondContact O-OG 3.05Å; C141-S361 WeakPolarHBondContact SG-CB 3.42Å; N147-S361 PolarHBondContact ND2-OG 3.35Å; Y357-S361 PolarHBondContact O-N 2.9Å; Y357-S361 PolarHBondContact O-OG 3.19Å; P358-S361 PolarHBondContact O-N 3.29Å; S361-A365 WeakPolarHBondContact O-CB 3.15Å; S361-A365 PolarHBondContact O-N 3.06Å |
| 362 | V | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64.6 | -45.1 | 174.7 | 172 | 0 | 0 | 0 | 0 | 111.3 | L105 V109 L137 L168 I327 V331 P358 I360 S364 A365 V366 | L105-V362 HydrophobicContact CD1-CG2 4.22Å; L105-V362 HydrophobicContact CD2-CG2 3.93Å; L105-V362 HydrophobicContact CG-CG2 4.19Å; V109-V362 HydrophobicContact CG1-CG1 4.43Å; V109-V362 HydrophobicContact CG2-CG2 4.38Å; L137-V362 HydrophobicContact CD1-CB 4.33Å; L137-V362 HydrophobicContact CD1-CG2 3.81Å; L137-V362 HydrophobicContact CD2-CG2 4.02Å; L168-V362 HydrophobicContact CD2-CG2 4.41Å; I327-V362 HydrophobicContact CG2-CG1 3.88Å; V331-V362 HydrophobicContact CG1-CB 3.77Å; V331-V362 HydrophobicContact CG1-CG1 3.66Å; V331-V362 HydrophobicContact CG2-CG1 4.23Å; P358-V362 VanDerWaalsContact O-CG2 3.3Å; P358-V362 WeakPolarHBondContact O-CG2 3.5Å; P358-V362 PolarHBondContact O-N 3.07Å; I360-V362 VanDerWaalsContact C-N 3.32Å; I360-V362 PolarHBondContact O-N 2.96Å; V362-S364 PolarHBondContact O-N 3.05Å; V362-A365 PolarHBondContact O-N 3.34Å; V362-V366 HydrophobicContact CG1-CG2 4.35Å; V362-V366 WeakPolarHBondContact O-CB 3.08Å; V362-V366 VanDerWaalsContact O-CG2 3.28Å; V362-V366 WeakPolarHBondContact O-CG2 3.3Å; V362-V366 PolarHBondContact O-N 2.58Å |
| 363 | A | 97.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 10.8 Ų | 10.8 | 1% | 0.008 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.3 | -44.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A290 L293 V331 L335 F359 I360 V366 F367 | A290-A363 HydrophobicContact CB-CB 3.75Å; L293-A363 HydrophobicContact CD2-CB 3.79Å; L293-A363 WeakPolarHBondContact CD2-O 3.29Å; V331-A363 HydrophobicContact CB-CB 4.45Å; L335-A363 HydrophobicContact CD1-CB 4.15Å; F359-A363 WeakPolarHBondContact O-CB 3.38Å; F359-A363 PolarHBondContact O-N 2.83Å; I360-A363 WeakPolarHBondContact O-CB 3.5Å; I360-A363 PolarHBondContact O-N 2.84Å; I360-A363 VanDerWaalsContact O-N 3.08Å; A363-V366 PolarHBondContact O-N 3.28Å; A363-F367 WeakPolarHBondContact O-CB 3.26Å; A363-F367 PolarHBondContact O-N 3.42Å |
| 364 | S | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 177.5 | -47 | 0 | 0 | 0 | 0 | 111.9 | L286 I360 V362 V366 F367 M368 | L286-S364 WeakPolarHBondContact CA-OG 3.25Å; L286-S364 WeakPolarHBondContact CB-OG 3.22Å; L286-S364 PolarHBondContact O-OG 3.38Å; I360-S364 PolarHBondContact O-N 3.05Å; I360-S364 PolarHBondContact O-OG 3.25Å; V362-S364 PolarHBondContact O-N 3.05Å; S364-V366 PolarHBondContact O-N 2.89Å; S364-F367 PolarHBondContact O-N 3.36Å; S364-M368 WeakPolarHBondContact O-CG 3.3Å; S364-M368 PolarHBondContact O-N 2.93Å |
| 365 | A | 96.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.8 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F133 L137 S361 V362 M368 L369 | F133-A365 HydrophobicContact CE2-CB 4.09Å; F133-A365 HydrophobicContact CZ-CB 4.15Å; L137-A365 HydrophobicContact CB-CB 3.94Å; L137-A365 HydrophobicContact CD1-CB 3.85Å; L137-A365 HydrophobicContact CG-CB 4.43Å; S361-A365 WeakPolarHBondContact O-CB 3.15Å; S361-A365 PolarHBondContact O-N 3.06Å; V362-A365 PolarHBondContact O-N 3.34Å; A365-M368 PolarHBondContact O-N 3.47Å; A365-L369 WeakPolarHBondContact O-CB 3.36Å; A365-L369 PolarHBondContact O-N 2.92Å |
| 366 | V | 95 | Very high | 92.2 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.018 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -67.1 | -39.1 | 176.2 | 167.5 | 0 | 0 | 0 | 0 | 111.8 | F133 L293 L324 I327 R328 V362 A363 S364 L369 G370 | F133-V366 HydrophobicContact CE2-CG2 4.43Å; F133-V366 HydrophobicContact CZ-CG2 4.13Å; L293-V366 HydrophobicContact CD1-CG1 4.01Å; L293-V366 HydrophobicContact CD2-CB 4.13Å; L293-V366 HydrophobicContact CD2-CG1 3.93Å; L324-V366 HydrophobicContact CD1-CG1 3.87Å; L324-V366 HydrophobicContact CD1-CG2 4.28Å; I327-V366 HydrophobicContact CG2-CG2 4.08Å; R328-V366 HydrophobicContact CG-CG1 3.66Å; V362-V366 HydrophobicContact CG1-CG2 4.35Å; V362-V366 WeakPolarHBondContact O-CB 3.08Å; V362-V366 VanDerWaalsContact O-CG2 3.28Å; V362-V366 WeakPolarHBondContact O-CG2 3.3Å; V362-V366 PolarHBondContact O-N 2.58Å; A363-V366 PolarHBondContact O-N 3.28Å; S364-V366 PolarHBondContact O-N 2.89Å; V366-L369 PolarHBondContact O-N 3.38Å; V366-G370 PolarHBondContact O-N 3.35Å |
| 367 | F | 95 | Very high | 91.1 | Very high | 21 Ų | 21 | 22.9 Ų | 22.9 | 9% | 0.092 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.8 | -50 | 173.6 | 175.5 | -102.3 | 0 | 0 | 0 | 111.5 | F289 L292 L293 I296 A363 S364 L369 G370 L371 | F289-F367 HydrophobicContact CB-CB 4.33Å; F289-F367 HydrophobicContact CB-CD1 3.62Å; F289-F367 HydrophobicContact CB-CE1 4.24Å; F289-F367 HydrophobicContact CB-CG 4.16Å; F289-F367 AromaticContact CD1-CD1 3.79Å; F289-F367 HydrophobicContact CD1-CD1 3.79Å; F289-F367 AromaticContact CD1-CE1 3.55Å; F289-F367 HydrophobicContact CD1-CE1 3.55Å; F289-F367 HydrophobicContact CD2-CD1 4.26Å; F289-F367 HydrophobicContact CE1-CE1 4.02Å; F289-F367 AromaticContact CG-CD1 3.64Å; F289-F367 HydrophobicContact CG-CD1 3.64Å; F289-F367 AromaticContact CG-CE1 3.92Å; F289-F367 HydrophobicContact CG-CE1 3.92Å; L292-F367 HydrophobicContact CB-CD2 4.02Å; L292-F367 HydrophobicContact CB-CE2 3.59Å; L292-F367 HydrophobicContact CB-CZ 3.99Å; L292-F367 HydrophobicContact CD1-CE1 4.16Å; L292-F367 HydrophobicContact CD1-CE2 4.1Å; L292-F367 HydrophobicContact CD1-CZ 3.6Å; L292-F367 HydrophobicContact CG-CE2 4.49Å; L292-F367 HydrophobicContact CG-CZ 4.45Å; L293-F367 HydrophobicContact CB-CB 4.24Å; I296-F367 HydrophobicContact CD1-CD2 4.28Å; I296-F367 HydrophobicContact CD1-CE2 3.84Å; A363-F367 WeakPolarHBondContact O-CB 3.26Å; A363-F367 PolarHBondContact O-N 3.42Å; S364-F367 PolarHBondContact O-N 3.36Å; F367-L369 PolarHBondContact O-N 3.09Å; F367-G370 PolarHBondContact O-N 2.93Å; F367-G370 VanDerWaalsContact O-N 3.14Å; F367-L371 HydrophobicContact CD1-CD1 4.15Å; F367-L371 HydrophobicContact CE1-CD1 3.54Å; F367-L371 HydrophobicContact CE1-CG 4.15Å; F367-L371 HydrophobicContact CZ-CD1 3.9Å; F367-L371 HydrophobicContact CZ-CD2 4.3Å; F367-L371 HydrophobicContact CZ-CG 4.17Å; F367-L371 PolarHBondContact O-N 2.95Å |
| 368 | M | 93.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.9 | -39.6 | 178.6 | -72.2 | -172.2 | -71.8 | 0 | 0 | 112.4 | L136 C140 F289 S364 A365 G370 L371 I372 V392 | L136-M368 HydrophobicContact CD1-CE 3.69Å; L136-M368 HydrophobicContact CD1-SD 4.16Å; L136-M368 HydrophobicContact CD2-CB 3.95Å; L136-M368 HydrophobicContact CD2-CE 4.31Å; L136-M368 HydrophobicContact CG-CE 4Å; C140-M368 WeakPolarHBondContact SG-CE 3.03Å; F289-M368 HydrophobicContact CD2-CG 4.01Å; F289-M368 HydrophobicContact CD2-SD 4.12Å; F289-M368 HydrophobicContact CE2-CG 4.05Å; F289-M368 HydrophobicContact CE2-SD 3.87Å; S364-M368 WeakPolarHBondContact O-CG 3.3Å; S364-M368 PolarHBondContact O-N 2.93Å; A365-M368 PolarHBondContact O-N 3.47Å; M368-G370 VanDerWaalsContact C-N 3.32Å; M368-G370 PolarHBondContact O-N 3.46Å; M368-L371 WeakPolarHBondContact O-CB 3.26Å; M368-L371 PolarHBondContact O-N 3.38Å; M368-I372 WeakPolarHBondContact O-CG1 3.41Å; M368-I372 PolarHBondContact O-N 2.93Å; M368-I372 VanDerWaalsContact O-N 3.08Å; M368-V392 HydrophobicContact CB-CG1 4.25Å; M368-V392 HydrophobicContact CG-CG1 4.43Å; M368-V392 HydrophobicContact SD-CG1 4.09Å |
| 369 | L | 91.2 | Very high | 89 | Confident | 12 Ų | 12 | 35.5 Ų | 35.5 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.8 | -46 | 171.9 | 179.5 | 65.8 | 0 | 0 | 0 | 111 | I113 Y114 F133 A365 V366 F367 L371 I372 E373 | I113-L369 HydrophobicContact CD1-CD2 4.42Å; Y114-L369 WeakPolarHBondContact OH-CD1 3.4Å; F133-L369 HydrophobicContact CD2-CB 3.99Å; F133-L369 HydrophobicContact CD2-CD1 4.26Å; F133-L369 HydrophobicContact CD2-CD2 3.68Å; F133-L369 HydrophobicContact CD2-CG 4.18Å; F133-L369 HydrophobicContact CE2-CB 4Å; F133-L369 HydrophobicContact CE2-CD2 3.82Å; F133-L369 HydrophobicContact CE2-CG 4.46Å; A365-L369 WeakPolarHBondContact O-CB 3.36Å; A365-L369 PolarHBondContact O-N 2.92Å; V366-L369 PolarHBondContact O-N 3.38Å; F367-L369 PolarHBondContact O-N 3.09Å; L369-L371 VanDerWaalsContact C-N 3.3Å; L369-L371 PolarHBondContact O-N 3.28Å; L369-I372 PolarHBondContact O-N 2.92Å; L369-I372 VanDerWaalsContact O-N 3.14Å; L369-E373 HydrophobicContact CD1-CG 4.03Å; L369-E373 HydrophobicContact CG-CG 4.26Å; L369-E373 WeakPolarHBondContact O-CG 3.28Å; L369-E373 PolarHBondContact O-N 3.08Å |
| 370 | G | 88.2 | Confident | 88.1 | Confident | 22 Ų | 22 | 38.4 Ų | 38.4 | 23% | 0.227 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.4 | -38.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | V366 F367 M368 T374 | V366-G370 PolarHBondContact O-N 3.35Å; F367-G370 PolarHBondContact O-N 2.93Å; F367-G370 VanDerWaalsContact O-N 3.14Å; M368-G370 VanDerWaalsContact C-N 3.32Å; M368-G370 PolarHBondContact O-N 3.46Å; G370-T374 WeakPolarHBondContact O-CB 3.3Å; G370-T374 PolarHBondContact O-N 2.88Å; G370-T374 PolarHBondContact O-OG1 2.91Å |
| 371 | L | 87.6 | Confident | 87.5 | Confident | 51 Ų | 51 | 41.1 Ų | 41.1 | 27% | 0.267 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.5 | -50.5 | 172.3 | -70.7 | 177.8 | 0 | 0 | 0 | 111 | F367 M368 L369 E373 T374 F375 V392 | F367-L371 HydrophobicContact CD1-CD1 4.15Å; F367-L371 HydrophobicContact CE1-CD1 3.54Å; F367-L371 HydrophobicContact CE1-CG 4.15Å; F367-L371 HydrophobicContact CZ-CD1 3.9Å; F367-L371 HydrophobicContact CZ-CD2 4.3Å; F367-L371 HydrophobicContact CZ-CG 4.17Å; F367-L371 PolarHBondContact O-N 2.95Å; M368-L371 WeakPolarHBondContact O-CB 3.26Å; M368-L371 PolarHBondContact O-N 3.38Å; L369-L371 VanDerWaalsContact C-N 3.3Å; L369-L371 PolarHBondContact O-N 3.28Å; L371-E373 PolarHBondContact O-N 3.02Å; L371-T374 PolarHBondContact O-N 3.3Å; L371-F375 WeakPolarHBondContact O-CD2 3.42Å; L371-F375 PolarHBondContact O-N 3.21Å; L371-V392 HydrophobicContact CB-CG2 4.37Å |
| 372 | I | 86.5 | Confident | 86.8 | Confident | 28 Ų | 28 | 43.2 Ų | 43.2 | 14% | 0.144 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.5 | -52.8 | 179.4 | -63.5 | 169.4 | 0 | 0 | 0 | 110.3 | M368 L369 T374 F375 N376 L389 V392 | M368-I372 WeakPolarHBondContact O-CG1 3.41Å; M368-I372 PolarHBondContact O-N 2.93Å; M368-I372 VanDerWaalsContact O-N 3.08Å; L369-I372 PolarHBondContact O-N 2.92Å; L369-I372 VanDerWaalsContact O-N 3.14Å; I372-T374 PolarHBondContact O-N 3.42Å; I372-F375 PolarHBondContact O-N 2.95Å; I372-N376 WeakPolarHBondContact O-CB 3.36Å; I372-N376 PolarHBondContact O-N 3.15Å; I372-L389 HydrophobicContact CD1-CD2 4.28Å; I372-L389 HydrophobicContact CG1-CD2 4.25Å; I372-L389 HydrophobicContact CG2-CD2 4.01Å; I372-V392 HydrophobicContact CD1-CB 4.45Å; I372-V392 HydrophobicContact CD1-CG1 4.2Å; I372-V392 HydrophobicContact CD1-CG2 4.3Å; I372-V392 HydrophobicContact CG1-CB 4.43Å; I372-V392 HydrophobicContact CG1-CG2 3.87Å |
| 373 | E | 83.4 | Confident | 86.3 | Confident | 63 Ų | 63 | 50.1 Ų | 50.1 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | -175.4 | -70.3 | -178 | 165.1 | 0 | 0 | 112.7 | L369 L371 F375 N376 | L369-E373 HydrophobicContact CD1-CG 4.03Å; L369-E373 HydrophobicContact CG-CG 4.26Å; L369-E373 WeakPolarHBondContact O-CG 3.28Å; L369-E373 PolarHBondContact O-N 3.08Å; L371-E373 PolarHBondContact O-N 3.02Å; E373-F375 PolarHBondContact O-N 2.87Å; E373-N376 PolarHBondContact O-N 3.01Å |
| 374 | T | 82.5 | Confident | 85.8 | Confident | 91 Ų | 91 | 52.2 Ų | 52.2 | 56% | 0.558 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.4 | -32.1 | 177.9 | -59.9 | 0 | 0 | 0 | 0 | 112 | G370 L371 I372 K380 | G370-T374 WeakPolarHBondContact O-CB 3.3Å; G370-T374 PolarHBondContact O-N 2.88Å; G370-T374 PolarHBondContact O-OG1 2.91Å; L371-T374 PolarHBondContact O-N 3.3Å; I372-T374 PolarHBondContact O-N 3.42Å; T374-K380 PolarHBondContact O-NZ 2.54Å |
| 375 | F | 81.2 | Confident | 85.1 | Confident | 76 Ų | 76 | 55.8 Ų | 55.8 | 33% | 0.333 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -97.6 | -13.1 | 179.5 | -67 | -70.3 | 0 | 0 | 0 | 113.8 | L371 I372 E373 S377 I384 A388 | L371-F375 WeakPolarHBondContact O-CD2 3.42Å; L371-F375 PolarHBondContact O-N 3.21Å; I372-F375 PolarHBondContact O-N 2.95Å; E373-F375 PolarHBondContact O-N 2.87Å; F375-S377 PolarHBondContact O-N 3.49Å; F375-I384 HydrophobicContact CB-CG2 4.27Å; F375-I384 HydrophobicContact CD1-CG2 3.71Å; F375-I384 HydrophobicContact CG-CG2 4.38Å; F375-A388 HydrophobicContact CB-CB 3.39Å; F375-A388 HydrophobicContact CD2-CB 3.73Å; F375-A388 HydrophobicContact CG-CB 3.78Å |
| 376 | N | 74.7 | Confident | 84.7 | Confident | 63 Ų | 63 | 61.4 Ų | 61.4 | 34% | 0.337 | 32% | 0.324 | S | S | . | . | trans | -85.6 | 33.7 | -179.6 | -164 | 37.7 | 0 | 0 | 0 | 114.1 | I372 E373 R385 | I372-N376 WeakPolarHBondContact O-CB 3.36Å; I372-N376 PolarHBondContact O-N 3.15Å; E373-N376 PolarHBondContact O-N 3.01Å; N376-R385 WeakPolarHBondContact OD1-CD 2.58Å | ||
| 377 | S | 73.9 | Confident | 84.4 | Confident | 33 Ų | 33 | 65.7 Ų | 65.7 | 23% | 0.231 | 35% | 0.346 | C | S | . | . | trans | -83.1 | 138.6 | 176.1 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | F375 T379 K380 | F375-S377 PolarHBondContact O-N 3.49Å; S377-T379 PolarHBondContact O-N 3.46Å; S377-T379 PolarHBondContact OG-N 3.47Å; S377-T379 PolarHBondContact OG-OG1 2.72Å; S377-K380 PolarHBondContact O-N 3.46Å | ||
| 378 | D | 72.3 | Confident | 84 | Confident | 151 Ų | 151 | 65 Ų | 65 | 81% | 0.807 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -19.2 | 172.9 | -65.9 | -37.3 | 0 | 0 | 0 | 112.8 | K380 | D378-K380 PolarHBondContact O-N 2.97Š|
| 379 | T | 80.6 | Confident | 83.8 | Confident | 126 Ų | 126 | 68.2 Ų | 68.2 | 77% | 0.773 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -14.3 | 173.3 | 62.9 | 0 | 0 | 0 | 0 | 113.5 | S377 | S377-T379 PolarHBondContact O-N 3.46Å; S377-T379 PolarHBondContact OG-N 3.47Å; S377-T379 PolarHBondContact OG-OG1 2.72Å |
| 380 | K | 79.3 | Confident | 83.9 | Confident | 61 Ų | 61 | 74.7 Ų | 74.7 | 27% | 0.265 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -99 | 141.3 | -178.6 | -69.5 | 178.1 | 176.1 | 177.9 | 0 | 110.3 | T374 S377 D378 I384 | T374-K380 PolarHBondContact O-NZ 2.54Å; S377-K380 PolarHBondContact O-N 3.46Å; D378-K380 PolarHBondContact O-N 2.97Å; K380-I384 HydrophobicContact CB-CB 4.48Å; K380-I384 HydrophobicContact CB-CD1 4.43Å; K380-I384 HydrophobicContact CD-CG2 4.14Å |
| 381 | P | 85.3 | Confident | 84 | Confident | 60 Ų | 60 | 77.9 Ų | 77.9 | 39% | 0.39 | 40% | 0.4 | S | S | . | . | trans | -61.3 | 148.3 | 175.7 | 25.9 | -35.4 | 0 | 0 | 0 | 111.6 | Y383 I384 | P381-Y383 HydrophobicContact CB-CD1 3.63Å; P381-Y383 HydrophobicContact CB-CE1 3.39Å; P381-Y383 HydrophobicContact CG-CD1 3.82Å; P381-Y383 HydrophobicContact CG-CE1 3.16Å; P381-Y383 PolarHBondContact O-N 3.11Å; P381-Y383 VanDerWaalsContact O-N 3.08Å; P381-I384 HydrophobicContact CG-CD1 3.71Å; P381-I384 HydrophobicContact CG-CG1 3.96Å; P381-I384 PolarHBondContact O-N 3.36Å | ||
| 382 | A | 84.6 | Confident | 84.1 | Confident | 46 Ų | 46 | 75.9 Ų | 75.9 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -54 | -35.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | I384 R385 H386 | A382-I384 VanDerWaalsContact C-N 3.28Å; A382-I384 PolarHBondContact O-N 2.94Å; A382-R385 WeakPolarHBondContact O-CB 3.41Å; A382-R385 PolarHBondContact O-N 3.16Å; A382-R385 VanDerWaalsContact O-N 3.15Å; A382-H386 PolarHBondContact O-CD2 3.21Å; A382-H386 PolarHBondContact O-N 3.13Å; A382-H386 VanDerWaalsContact O-N 3.14Å |
| 383 | Y | 87.2 | Confident | 84.4 | Confident | 145 Ų | 145 | 80 Ų | 80 | 57% | 0.569 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.6 | -34.1 | 179.2 | 73.7 | -96.7 | 0 | 0 | 0 | 112.9 | P381 R385 H386 I387 | P381-Y383 HydrophobicContact CB-CD1 3.63Å; P381-Y383 HydrophobicContact CB-CE1 3.39Å; P381-Y383 HydrophobicContact CG-CD1 3.82Å; P381-Y383 HydrophobicContact CG-CE1 3.16Å; P381-Y383 PolarHBondContact O-N 3.11Å; P381-Y383 VanDerWaalsContact O-N 3.08Å; Y383-R385 VanDerWaalsContact C-N 3.33Å; Y383-R385 PolarHBondContact O-N 2.8Å; Y383-H386 PolarHBondContact O-N 2.98Å; Y383-I387 HydrophobicContact CD2-CD1 3.9Å; Y383-I387 VanDerWaalsContact O-CG1 3.28Å; Y383-I387 WeakPolarHBondContact O-CG1 3.36Å; Y383-I387 PolarHBondContact O-N 2.82Å |
| 384 | I | 86.7 | Confident | 84.9 | Confident | 44 Ų | 44 | 78.8 Ų | 78.8 | 23% | 0.226 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 177.8 | -64.1 | -179.3 | 0 | 0 | 0 | 110.5 | F375 K380 P381 A382 I387 A388 | F375-I384 HydrophobicContact CB-CG2 4.27Å; F375-I384 HydrophobicContact CD1-CG2 3.71Å; F375-I384 HydrophobicContact CG-CG2 4.38Å; K380-I384 HydrophobicContact CB-CB 4.48Å; K380-I384 HydrophobicContact CB-CD1 4.43Å; K380-I384 HydrophobicContact CD-CG2 4.14Å; P381-I384 HydrophobicContact CG-CD1 3.71Å; P381-I384 HydrophobicContact CG-CG1 3.96Å; P381-I384 PolarHBondContact O-N 3.36Å; A382-I384 VanDerWaalsContact C-N 3.28Å; A382-I384 PolarHBondContact O-N 2.94Å; I384-I387 PolarHBondContact O-N 3.43Å; I384-A388 PolarHBondContact O-N 3.46Å |
| 385 | R | 83.1 | Confident | 85.4 | Confident | 75 Ų | 75 | 75.3 Ų | 75.3 | 28% | 0.283 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 176.2 | -50.7 | -174 | -51.6 | -148.2 | 0.7 | 110.9 | N376 A382 Y383 A388 L389 | N376-R385 WeakPolarHBondContact OD1-CD 2.58Å; A382-R385 WeakPolarHBondContact O-CB 3.41Å; A382-R385 PolarHBondContact O-N 3.16Å; A382-R385 VanDerWaalsContact O-N 3.15Å; Y383-R385 VanDerWaalsContact C-N 3.33Å; Y383-R385 PolarHBondContact O-N 2.8Å; R385-A388 PolarHBondContact O-N 3.02Å; R385-L389 WeakPolarHBondContact O-CG 3.33Å; R385-L389 PolarHBondContact O-N 2.91Å |
| 386 | H | 87.6 | Confident | 86 | Confident | 119 Ų | 119 | 72.5 Ų | 72.5 | 55% | 0.551 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.8 | -40.2 | 176.8 | -69.1 | -62.2 | 0 | 0 | 0 | 112.2 | A382 Y383 L389 F390 | A382-H386 PolarHBondContact O-CD2 3.21Å; A382-H386 PolarHBondContact O-N 3.13Å; A382-H386 VanDerWaalsContact O-N 3.14Å; Y383-H386 PolarHBondContact O-N 2.98Å; H386-L389 PolarHBondContact O-N 3.06Å; H386-F390 VanDerWaalsContact O-CB 3.27Å; H386-F390 WeakPolarHBondContact O-CB 3.46Å; H386-F390 PolarHBondContact O-N 3.43Å |
| 387 | I | 89 | Confident | 87 | Confident | 92 Ų | 92 | 72.8 Ų | 72.8 | 47% | 0.472 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 175.2 | -69.9 | 166.9 | 0 | 0 | 0 | 110.9 | Y383 I384 L389 F390 I391 | Y383-I387 HydrophobicContact CD2-CD1 3.9Å; Y383-I387 VanDerWaalsContact O-CG1 3.28Å; Y383-I387 WeakPolarHBondContact O-CG1 3.36Å; Y383-I387 PolarHBondContact O-N 2.82Å; I384-I387 PolarHBondContact O-N 3.43Å; I387-L389 PolarHBondContact O-N 3.3Å; I387-F390 WeakPolarHBondContact O-CB 3.3Å; I387-F390 PolarHBondContact O-N 2.94Å; I387-I391 HydrophobicContact CG2-CD1 3.88Å; I387-I391 HydrophobicContact CG2-CG1 4.42Å; I387-I391 VanDerWaalsContact O-CG1 3.32Å; I387-I391 WeakPolarHBondContact O-CG1 3.48Å; I387-I391 PolarHBondContact O-N 3.4Å |
| 388 | A | 87 | Confident | 87.8 | Confident | 6 Ų | 6 | 74.4 Ų | 74.4 | 5% | 0.05 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F375 I384 R385 F390 I391 V392 | F375-A388 HydrophobicContact CB-CB 3.39Å; F375-A388 HydrophobicContact CD2-CB 3.73Å; F375-A388 HydrophobicContact CG-CB 3.78Å; I384-A388 PolarHBondContact O-N 3.46Å; R385-A388 PolarHBondContact O-N 3.02Å; A388-F390 VanDerWaalsContact C-N 3.33Å; A388-I391 PolarHBondContact O-N 3.2Å; A388-V392 PolarHBondContact O-N 2.64Å; A388-V392 VanDerWaalsContact O-N 3.12Å |
| 389 | L | 88.4 | Confident | 88.8 | Confident | 69 Ų | 69 | 67.2 Ų | 67.2 | 36% | 0.361 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62 | -42 | 173.5 | -72.8 | 169.4 | 0 | 0 | 0 | 111.6 | I372 R385 H386 I387 I391 V392 L393 | I372-L389 HydrophobicContact CD1-CD2 4.28Å; I372-L389 HydrophobicContact CG1-CD2 4.25Å; I372-L389 HydrophobicContact CG2-CD2 4.01Å; R385-L389 WeakPolarHBondContact O-CG 3.33Å; R385-L389 PolarHBondContact O-N 2.91Å; H386-L389 PolarHBondContact O-N 3.06Å; I387-L389 PolarHBondContact O-N 3.3Å; L389-I391 PolarHBondContact O-N 3.27Å; L389-V392 PolarHBondContact O-N 2.99Å; L389-L393 WeakPolarHBondContact O-CB 3.25Å; L389-L393 VanDerWaalsContact O-CG 3.3Å; L389-L393 WeakPolarHBondContact O-CG 3.44Å; L389-L393 PolarHBondContact O-N 3.1Å |
| 390 | F | 91.9 | Very high | 89.5 | Confident | 147 Ų | 147 | 65.7 Ų | 65.7 | 65% | 0.645 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.3 | -42.3 | 176 | 179.1 | -97.4 | 0 | 0 | 0 | 111.8 | H386 I387 A388 V392 L393 A394 | H386-F390 VanDerWaalsContact O-CB 3.27Å; H386-F390 WeakPolarHBondContact O-CB 3.46Å; H386-F390 PolarHBondContact O-N 3.43Å; I387-F390 WeakPolarHBondContact O-CB 3.3Å; I387-F390 PolarHBondContact O-N 2.94Å; A388-F390 VanDerWaalsContact C-N 3.33Å; F390-V392 PolarHBondContact O-N 3.42Å; F390-L393 PolarHBondContact O-N 2.92Å; F390-A394 HydrophobicContact CE1-CB 4.45Å; F390-A394 WeakPolarHBondContact O-CB 3.43Å; F390-A394 PolarHBondContact O-N 2.88Å |
| 391 | I | 91.4 | Very high | 90.1 | Very high | 90 Ų | 90 | 68.3 Ų | 68.3 | 46% | 0.462 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 176.3 | -69.2 | 166.7 | 0 | 0 | 0 | 111 | I387 A388 L389 S395 | I387-I391 HydrophobicContact CG2-CD1 3.88Å; I387-I391 HydrophobicContact CG2-CG1 4.42Å; I387-I391 VanDerWaalsContact O-CG1 3.32Å; I387-I391 WeakPolarHBondContact O-CG1 3.48Å; I387-I391 PolarHBondContact O-N 3.4Å; A388-I391 PolarHBondContact O-N 3.2Å; L389-I391 PolarHBondContact O-N 3.27Å; I391-S395 WeakPolarHBondContact O-CB 3.3Å; I391-S395 PolarHBondContact O-N 3.18Å; I391-S395 PolarHBondContact O-OG 3.24Å |
| 392 | V | 90.5 | Very high | 90.3 | Very high | 8 Ų | 8 | 66.5 Ų | 66.5 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 178.1 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | M368 L371 I372 A388 L389 F390 S395 C396 | M368-V392 HydrophobicContact CB-CG1 4.25Å; M368-V392 HydrophobicContact CG-CG1 4.43Å; M368-V392 HydrophobicContact SD-CG1 4.09Å; L371-V392 HydrophobicContact CB-CG2 4.37Å; I372-V392 HydrophobicContact CD1-CB 4.45Å; I372-V392 HydrophobicContact CD1-CG1 4.2Å; I372-V392 HydrophobicContact CD1-CG2 4.3Å; I372-V392 HydrophobicContact CG1-CB 4.43Å; I372-V392 HydrophobicContact CG1-CG2 3.87Å; A388-V392 PolarHBondContact O-N 2.64Å; A388-V392 VanDerWaalsContact O-N 3.12Å; L389-V392 PolarHBondContact O-N 2.99Å; F390-V392 PolarHBondContact O-N 3.42Å; V392-S395 WeakPolarHBondContact CA-OG 3.44Å; V392-S395 PolarHBondContact O-N 2.92Å; V392-S395 PolarHBondContact O-OG 3.06Å; V392-C396 WeakPolarHBondContact O-CB 3.28Å; V392-C396 PolarHBondContact O-N 2.96Å; V392-C396 PolarHBondContact O-SG 3.37Å |
| 393 | L | 92.6 | Very high | 90.6 | Very high | 115 Ų | 115 | 64.4 Ų | 64.4 | 60% | 0.602 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -64.9 | -43.9 | 176.4 | -71.5 | 170.6 | 0 | 0 | 0 | 112 | L389 F390 C396 S397 | L389-L393 WeakPolarHBondContact O-CB 3.25Å; L389-L393 VanDerWaalsContact O-CG 3.3Å; L389-L393 WeakPolarHBondContact O-CG 3.44Å; L389-L393 PolarHBondContact O-N 3.1Å; F390-L393 PolarHBondContact O-N 2.92Å; L393-C396 PolarHBondContact O-N 3.18Å; L393-S397 WeakPolarHBondContact O-CB 3.24Å; L393-S397 PolarHBondContact O-N 2.76Å; L393-S397 PolarHBondContact O-OG 3Å |
| 394 | A | 93.9 | Very high | 90.9 | Very high | 37 Ų | 37 | 59.7 Ų | 59.7 | 31% | 0.306 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F390 S397 V398 | F390-A394 HydrophobicContact CE1-CB 4.45Å; F390-A394 WeakPolarHBondContact O-CB 3.43Å; F390-A394 PolarHBondContact O-N 2.88Å; A394-S397 PolarHBondContact O-N 2.95Å; A394-V398 WeakPolarHBondContact O-CG2 3.25Å; A394-V398 PolarHBondContact O-N 2.91Å |
| 395 | S | 92.9 | Very high | 91 | Very high | 19 Ų | 19 | 58.5 Ų | 58.5 | 13% | 0.133 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.4 | -41 | 176.2 | 58.5 | 0 | 0 | 0 | 0 | 112.7 | I391 V392 S397 V398 I399 | I391-S395 WeakPolarHBondContact O-CB 3.3Å; I391-S395 PolarHBondContact O-N 3.18Å; I391-S395 PolarHBondContact O-OG 3.24Å; V392-S395 WeakPolarHBondContact CA-OG 3.44Å; V392-S395 PolarHBondContact O-N 2.92Å; V392-S395 PolarHBondContact O-OG 3.06Å; S395-S397 PolarHBondContact O-N 3.31Å; S395-V398 PolarHBondContact O-N 3.45Å; S395-I399 WeakPolarHBondContact O-CB 3.38Å; S395-I399 WeakPolarHBondContact O-CD1 3.49Å; S395-I399 WeakPolarHBondContact O-CG1 3.28Å; S395-I399 PolarHBondContact O-N 3.47Å |
| 396 | C | 94.2 | Very high | 91.3 | Very high | 16 Ų | 16 | 56 Ų | 56 | 11% | 0.108 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60 | -45.3 | 172.5 | -69.1 | 0 | 0 | 0 | 0 | 111.4 | F139 V392 L393 V398 I399 F400 | F139-C396 HydrophobicContact CE1-CB 3.93Å; F139-C396 HydrophobicContact CZ-CB 3.87Å; F139-C396 WeakPolarHBondContact CZ-O 3.42Å; V392-C396 WeakPolarHBondContact O-CB 3.28Å; V392-C396 PolarHBondContact O-N 2.96Å; V392-C396 PolarHBondContact O-SG 3.37Å; L393-C396 PolarHBondContact O-N 3.18Å; C396-V398 PolarHBondContact O-N 3.3Å; C396-I399 PolarHBondContact O-N 3.14Å; C396-F400 WeakPolarHBondContact O-CB 3.3Å; C396-F400 PolarHBondContact O-N 2.95Å |
| 397 | S | 94.1 | Very high | 91.5 | Very high | 69 Ų | 69 | 51 Ų | 51 | 48% | 0.483 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 176.7 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | L393 A394 S395 F400 L401 | L393-S397 WeakPolarHBondContact O-CB 3.24Å; L393-S397 PolarHBondContact O-N 2.76Å; L393-S397 PolarHBondContact O-OG 3Å; A394-S397 PolarHBondContact O-N 2.95Å; S395-S397 PolarHBondContact O-N 3.31Å; S397-F400 PolarHBondContact O-N 3.26Å; S397-L401 VanDerWaalsContact O-CG 3.31Å; S397-L401 WeakPolarHBondContact O-CG 3.36Å; S397-L401 PolarHBondContact O-N 2.7Å |
| 398 | V | 92.2 | Very high | 91.6 | Very high | 68 Ų | 68 | 52 Ų | 52 | 41% | 0.412 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.4 | -47 | 175.9 | 171 | 0 | 0 | 0 | 0 | 111.2 | L285 A394 S395 C396 F400 L401 M402 | L285-V398 HydrophobicContact CD1-CG1 4.22Å; A394-V398 WeakPolarHBondContact O-CG2 3.25Å; A394-V398 PolarHBondContact O-N 2.91Å; S395-V398 PolarHBondContact O-N 3.45Å; C396-V398 PolarHBondContact O-N 3.3Å; V398-F400 VanDerWaalsContact C-N 3.28Å; V398-F400 PolarHBondContact O-N 3.09Å; V398-L401 PolarHBondContact O-N 3.12Å; V398-M402 HydrophobicContact CG1-CG 4.33Å; V398-M402 HydrophobicContact CG1-SD 3.83Å; V398-M402 WeakPolarHBondContact O-CB 3.22Å; V398-M402 WeakPolarHBondContact O-CG 2.91Å; V398-M402 PolarHBondContact O-N 3.35Å |
| 399 | I | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.5 | -42 | 177.2 | -68.6 | 162.6 | 0 | 0 | 0 | 110.8 | F139 I143 L285 L286 F289 S395 C396 T403 | F139-I399 HydrophobicContact CE1-CG2 4.42Å; I143-I399 HydrophobicContact CG2-CG2 4.11Å; L285-I399 HydrophobicContact CB-CD1 3.94Å; L285-I399 HydrophobicContact CB-CG1 3.79Å; L285-I399 HydrophobicContact CD1-CG1 4.03Å; L285-I399 HydrophobicContact CG-CG1 4.14Å; L286-I399 HydrophobicContact CD2-CD1 3.9Å; L286-I399 HydrophobicContact CD2-CG2 4.46Å; L286-I399 HydrophobicContact CG-CD1 4.46Å; L286-I399 HydrophobicContact CG-CG2 4.3Å; F289-I399 HydrophobicContact CD2-CD1 4.45Å; F289-I399 HydrophobicContact CE2-CD1 3.78Å; F289-I399 HydrophobicContact CZ-CD1 4.47Å; S395-I399 WeakPolarHBondContact O-CB 3.38Å; S395-I399 WeakPolarHBondContact O-CD1 3.49Å; S395-I399 WeakPolarHBondContact O-CG1 3.28Å; S395-I399 PolarHBondContact O-N 3.47Å; C396-I399 PolarHBondContact O-N 3.14Å; I399-T403 WeakPolarHBondContact O-CB 3.42Å; I399-T403 PolarHBondContact O-N 2.9Å; I399-T403 PolarHBondContact O-OG1 2.91Å |
| 400 | F | 94 | Very high | 91.6 | Very high | 93 Ų | 93 | 49 Ų | 49 | 41% | 0.408 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.4 | -52 | 176.7 | 178.2 | -99.1 | 0 | 0 | 0 | 111.8 | F139 I143 C396 S397 V398 M402 T403 V404 | F139-F400 HydrophobicContact CE2-CB 4.27Å; F139-F400 HydrophobicContact CE2-CD2 4.49Å; F139-F400 HydrophobicContact CZ-CB 4.2Å; I143-F400 HydrophobicContact CD1-CD2 3.87Å; I143-F400 HydrophobicContact CD1-CE2 4.11Å; I143-F400 HydrophobicContact CG1-CD2 4.25Å; I143-F400 HydrophobicContact CG2-CB 4.06Å; I143-F400 HydrophobicContact CG2-CD2 3.99Å; C396-F400 WeakPolarHBondContact O-CB 3.3Å; C396-F400 PolarHBondContact O-N 2.95Å; S397-F400 PolarHBondContact O-N 3.26Å; V398-F400 VanDerWaalsContact C-N 3.28Å; V398-F400 PolarHBondContact O-N 3.09Å; F400-M402 PolarHBondContact O-N 3.42Å; F400-T403 PolarHBondContact O-N 2.82Å; F400-V404 HydrophobicContact CD1-CG2 4.36Å; F400-V404 HydrophobicContact CD2-CG2 4.21Å; F400-V404 HydrophobicContact CE1-CG2 4Å; F400-V404 HydrophobicContact CE2-CG2 3.83Å; F400-V404 HydrophobicContact CG-CG2 4.46Å; F400-V404 HydrophobicContact CZ-CG2 3.72Å; F400-V404 WeakPolarHBondContact O-CB 3.29Å; F400-V404 VanDerWaalsContact O-CG2 3.3Å; F400-V404 WeakPolarHBondContact O-CG2 3.44Å; F400-V404 PolarHBondContact O-N 3.3Å |
| 401 | L | 92.1 | Very high | 91.6 | Very high | 116 Ų | 116 | 43.1 Ų | 43.1 | 61% | 0.607 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -60.5 | -46.1 | 179.3 | -69.3 | 171.7 | 0 | 0 | 0 | 111.6 | S397 V398 T403 V404 S405 | S397-L401 VanDerWaalsContact O-CG 3.31Å; S397-L401 WeakPolarHBondContact O-CG 3.36Å; S397-L401 PolarHBondContact O-N 2.7Å; V398-L401 PolarHBondContact O-N 3.12Å; L401-T403 VanDerWaalsContact C-N 3.35Å; L401-T403 PolarHBondContact O-N 3.5Å; L401-V404 PolarHBondContact O-N 2.97Å; L401-S405 WeakPolarHBondContact O-CB 3.35Å; L401-S405 PolarHBondContact O-N 2.94Å |
| 402 | M | 89.4 | Confident | 91.5 | Very high | 23 Ų | 23 | 44.7 Ų | 44.7 | 11% | 0.113 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 176.4 | -73.3 | 178.9 | 56.2 | 0 | 0 | 112.3 | N284 V398 F400 S405 R406 F573 | N284-M402 HydrophobicContact CB-CE 3.92Å; N284-M402 WeakPolarHBondContact OD1-CE 3.19Å; V398-M402 HydrophobicContact CG1-CG 4.33Å; V398-M402 HydrophobicContact CG1-SD 3.83Å; V398-M402 WeakPolarHBondContact O-CB 3.22Å; V398-M402 WeakPolarHBondContact O-CG 2.91Å; V398-M402 PolarHBondContact O-N 3.35Å; F400-M402 PolarHBondContact O-N 3.42Å; M402-S405 WeakPolarHBondContact O-CB 3.33Å; M402-R406 WeakPolarHBondContact O-CB 3.43Å; M402-R406 PolarHBondContact O-N 3.43Å; M402-F573 HydrophobicContact CE-CD1 3.44Å; M402-F573 VanDerWaalsContact CE-CD1 3.44Å; M402-F573 HydrophobicContact CE-CE1 3.41Å; M402-F573 VanDerWaalsContact CE-CE1 3.41Å; M402-F573 HydrophobicContact CG-CD1 4.39Å; M402-F573 HydrophobicContact SD-CD1 3.97Å; M402-F573 HydrophobicContact SD-CE1 3.97Å |
| 403 | T | 91.9 | Very high | 91.3 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.012 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.9 | -50.2 | 179.3 | -64.3 | 0 | 0 | 0 | 0 | 111.3 | I143 P145 N284 I399 F400 L401 S405 R406 I407 | I143-T403 HydrophobicContact CG2-CG2 4.04Å; I143-T403 PolarHBondContact O-OG1 2.93Å; P145-T403 HydrophobicContact CG-CG2 4.21Å; N284-T403 PolarHBondContact ND2-OG1 3.46Å; N284-T403 VanDerWaalsContact ND2-OG1 3.12Å; I399-T403 WeakPolarHBondContact O-CB 3.42Å; I399-T403 PolarHBondContact O-N 2.9Å; I399-T403 PolarHBondContact O-OG1 2.91Å; F400-T403 PolarHBondContact O-N 2.82Å; L401-T403 VanDerWaalsContact C-N 3.35Å; L401-T403 PolarHBondContact O-N 3.5Å; T403-S405 PolarHBondContact O-N 3.26Å; T403-R406 PolarHBondContact O-N 3.4Å; T403-I407 HydrophobicContact CG2-CD1 3.63Å; T403-I407 HydrophobicContact CG2-CG1 4.43Å; T403-I407 VanDerWaalsContact O-CG1 3.3Å; T403-I407 WeakPolarHBondContact O-CG1 3.45Å; T403-I407 PolarHBondContact O-N 3.23Å |
| 404 | V | 91.8 | Very high | 91.3 | Very high | 46 Ų | 46 | 42 Ų | 42 | 28% | 0.279 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60.7 | -47.8 | 179.3 | 170.9 | 0 | 0 | 0 | 0 | 110.2 | F400 L401 R406 I407 F408 | F400-V404 HydrophobicContact CD1-CG2 4.36Å; F400-V404 HydrophobicContact CD2-CG2 4.21Å; F400-V404 HydrophobicContact CE1-CG2 4Å; F400-V404 HydrophobicContact CE2-CG2 3.83Å; F400-V404 HydrophobicContact CG-CG2 4.46Å; F400-V404 HydrophobicContact CZ-CG2 3.72Å; F400-V404 WeakPolarHBondContact O-CB 3.29Å; F400-V404 VanDerWaalsContact O-CG2 3.3Å; F400-V404 WeakPolarHBondContact O-CG2 3.44Å; F400-V404 PolarHBondContact O-N 3.3Å; L401-V404 PolarHBondContact O-N 2.97Å; V404-R406 PolarHBondContact O-N 3.1Å; V404-I407 PolarHBondContact O-N 3.08Å; V404-F408 HydrophobicContact CG1-CD2 3.49Å; V404-F408 VanDerWaalsContact CG1-CD2 3.49Å; V404-F408 HydrophobicContact CG1-CE2 3.45Å; V404-F408 VanDerWaalsContact CG1-CE2 3.45Å; V404-F408 VanDerWaalsContact O-CD2 3.24Å; V404-F408 WeakPolarHBondContact O-CD2 3.21Å; V404-F408 PolarHBondContact O-N 2.88Å |
| 405 | S | 89.9 | Confident | 91.3 | Very high | 19 Ų | 19 | 41 Ų | 41 | 13% | 0.133 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -51 | -52.2 | 174.6 | -173 | 0 | 0 | 0 | 0 | 111.9 | L401 M402 T403 T409 Y574 I575 P576 | L401-S405 WeakPolarHBondContact O-CB 3.35Å; L401-S405 PolarHBondContact O-N 2.94Å; M402-S405 WeakPolarHBondContact O-CB 3.33Å; T403-S405 PolarHBondContact O-N 3.26Å; S405-T409 WeakPolarHBondContact O-CB 3.3Å; S405-T409 PolarHBondContact O-N 2.74Å; S405-T409 PolarHBondContact O-OG1 2.98Å; S405-Y574 PolarHBondContact OG-O 3.47Å; S405-I575 WeakPolarHBondContact OG-CA 3.4Å; S405-P576 WeakPolarHBondContact OG-CD 3.32Å |
| 406 | R | 88.9 | Confident | 91.3 | Very high | 22 Ų | 22 | 40.1 Ų | 40.1 | 8% | 0.083 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 179.9 | 178.9 | 66 | 175.5 | 129.4 | 1.8 | 112.7 | P145 M402 T403 V404 T409 L410 | P145-R406 HydrophobicContact CB-CB 4.38Å; P145-R406 HydrophobicContact CB-CG 3.77Å; P145-R406 HydrophobicContact CG-CB 3.74Å; P145-R406 HydrophobicContact CG-CG 3.59Å; M402-R406 WeakPolarHBondContact O-CB 3.43Å; M402-R406 PolarHBondContact O-N 3.43Å; T403-R406 PolarHBondContact O-N 3.4Å; V404-R406 PolarHBondContact O-N 3.1Å; R406-T409 PolarHBondContact O-N 3.37Å; R406-L410 HydrophobicContact CG-CD1 4.23Å; R406-L410 WeakPolarHBondContact O-CG 3.39Å; R406-L410 PolarHBondContact O-N 3.46Å |
| 407 | I | 92.3 | Very high | 91.3 | Very high | 15 Ų | 15 | 40 Ų | 40 | 8% | 0.077 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61 | -47.2 | -179.7 | -70.7 | 167.7 | 0 | 0 | 0 | 110.2 | F17 P145 F148 T403 V404 T409 L410 I411 | F17-I407 HydrophobicContact CE1-CG2 4.06Å; P145-I407 HydrophobicContact CB-CG1 4.3Å; F148-I407 HydrophobicContact CB-CD1 3.67Å; F148-I407 HydrophobicContact CB-CG1 4.23Å; F148-I407 HydrophobicContact CD1-CD1 4.11Å; F148-I407 HydrophobicContact CD1-CG1 3.99Å; F148-I407 HydrophobicContact CD1-CG2 3.98Å; F148-I407 HydrophobicContact CD2-CD1 4Å; F148-I407 HydrophobicContact CE1-CG2 3.7Å; F148-I407 HydrophobicContact CE2-CG2 4.29Å; F148-I407 HydrophobicContact CG-CD1 3.65Å; F148-I407 HydrophobicContact CG-CG1 4.06Å; F148-I407 HydrophobicContact CG-CG2 4.38Å; F148-I407 HydrophobicContact CZ-CG2 3.85Å; T403-I407 HydrophobicContact CG2-CD1 3.63Å; T403-I407 HydrophobicContact CG2-CG1 4.43Å; T403-I407 VanDerWaalsContact O-CG1 3.3Å; T403-I407 WeakPolarHBondContact O-CG1 3.45Å; T403-I407 PolarHBondContact O-N 3.23Å; V404-I407 PolarHBondContact O-N 3.08Å; I407-T409 VanDerWaalsContact C-N 3.32Å; I407-T409 PolarHBondContact O-N 2.9Å; I407-L410 PolarHBondContact O-N 2.82Å; I407-I411 HydrophobicContact CG2-CD1 3.61Å; I407-I411 HydrophobicContact CG2-CG1 4.41Å; I407-I411 WeakPolarHBondContact O-CD1 3.27Å; I407-I411 VanDerWaalsContact O-CG1 3.26Å; I407-I411 WeakPolarHBondContact O-CG1 3.34Å; I407-I411 PolarHBondContact O-N 3.22Å |
| 408 | F | 90.9 | Very high | 91.4 | Very high | 113 Ų | 113 | 37.7 Ų | 37.7 | 50% | 0.496 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.1 | -42.7 | 177.1 | -86.3 | -67.2 | 0 | 0 | 0 | 112.2 | F17 V404 I411 R412 | F17-F408 HydrophobicContact CZ-CE1 4.43Å; V404-F408 HydrophobicContact CG1-CD2 3.49Å; V404-F408 VanDerWaalsContact CG1-CD2 3.49Å; V404-F408 HydrophobicContact CG1-CE2 3.45Å; V404-F408 VanDerWaalsContact CG1-CE2 3.45Å; V404-F408 VanDerWaalsContact O-CD2 3.24Å; V404-F408 WeakPolarHBondContact O-CD2 3.21Å; V404-F408 PolarHBondContact O-N 2.88Å; F408-I411 PolarHBondContact O-N 3.33Å; F408-R412 VanDerWaalsContact O-CB 3.26Å; F408-R412 WeakPolarHBondContact O-CB 3.3Å; F408-R412 PolarHBondContact O-N 2.9Å |
| 409 | T | 86.6 | Confident | 91.6 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.8 | -42.3 | 178 | -60.4 | 0 | 0 | 0 | 0 | 111.9 | S405 R406 I407 R412 W413 Y574 | S405-T409 WeakPolarHBondContact O-CB 3.3Å; S405-T409 PolarHBondContact O-N 2.74Å; S405-T409 PolarHBondContact O-OG1 2.98Å; R406-T409 PolarHBondContact O-N 3.37Å; I407-T409 VanDerWaalsContact C-N 3.32Å; I407-T409 PolarHBondContact O-N 2.9Å; T409-R412 PolarHBondContact O-N 3.19Å; T409-W413 VanDerWaalsContact CG2-CD1 3.43Å; T409-W413 PolarHBondContact O-N 2.96Å; T409-W413 VanDerWaalsContact O-N 3.16Å; T409-Y574 HydrophobicContact CG2-CD1 3.5Å; T409-Y574 VanDerWaalsContact CG2-CD1 3.5Å; T409-Y574 HydrophobicContact CG2-CE1 4.33Å; T409-Y574 HydrophobicContact CG2-CG 3.85Å; T409-Y574 PolarHBondContact OG1-O 2.93Å; T409-Y574 VanDerWaalsContact OG1-O 3.05Å |
| 410 | L | 88.9 | Confident | 91.8 | Very high | 9 Ų | 9 | 37.1 Ų | 37.1 | 5% | 0.047 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.8 | -49.4 | 173.9 | -78.7 | 172.6 | 0 | 0 | 0 | 111.7 | L149 R406 I407 R412 Y414 | L149-L410 HydrophobicContact CD1-CD1 4.33Å; L149-L410 HydrophobicContact CD2-CD1 4.49Å; R406-L410 HydrophobicContact CG-CD1 4.23Å; R406-L410 WeakPolarHBondContact O-CG 3.39Å; R406-L410 PolarHBondContact O-N 3.46Å; I407-L410 PolarHBondContact O-N 2.82Å; L410-R412 PolarHBondContact O-N 3.01Å; L410-Y414 HydrophobicContact CD2-CD2 3.88Å; L410-Y414 HydrophobicContact CD2-CE2 4.06Å; L410-Y414 WeakPolarHBondContact O-CB 3.46Å; L410-Y414 PolarHBondContact O-N 3.43Å |
| 411 | I | 92.4 | Very high | 91.9 | Very high | 23 Ų | 23 | 32.9 Ų | 32.9 | 12% | 0.118 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.1 | -46.3 | 178.8 | -64.5 | 163.8 | 0 | 0 | 0 | 110.3 | F17 F21 F148 I407 F408 W413 S415 | F17-I411 HydrophobicContact CE1-CD1 3.9Å; F17-I411 HydrophobicContact CZ-CD1 4.17Å; F21-I411 HydrophobicContact CB-CD1 3.69Å; F21-I411 HydrophobicContact CB-CG1 4.2Å; F21-I411 HydrophobicContact CB-CG2 4.37Å; F148-I411 HydrophobicContact CZ-CD1 4.43Å; I407-I411 HydrophobicContact CG2-CD1 3.61Å; I407-I411 HydrophobicContact CG2-CG1 4.41Å; I407-I411 WeakPolarHBondContact O-CD1 3.27Å; I407-I411 VanDerWaalsContact O-CG1 3.26Å; I407-I411 WeakPolarHBondContact O-CG1 3.34Å; I407-I411 PolarHBondContact O-N 3.22Å; F408-I411 PolarHBondContact O-N 3.33Å; I411-W413 PolarHBondContact O-N 3Å; I411-S415 WeakPolarHBondContact O-CB 3.13Å; I411-S415 PolarHBondContact O-N 3.41Å; I411-S415 PolarHBondContact O-OG 3.33Å |
| 412 | R | 89 | Confident | 92 | Very high | 123 Ų | 123 | 32.6 Ų | 32.6 | 46% | 0.464 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -57.4 | -48.4 | -175.9 | 176.1 | 57.4 | 174.1 | 168.4 | 0.4 | 111.8 | F408 T409 L410 | F408-R412 VanDerWaalsContact O-CB 3.26Å; F408-R412 WeakPolarHBondContact O-CB 3.3Å; F408-R412 PolarHBondContact O-N 2.9Å; T409-R412 PolarHBondContact O-N 3.19Å; L410-R412 PolarHBondContact O-N 3.01Å |
| 413 | W | 86.8 | Confident | 92.3 | Very high | 10 Ų | 10 | 36.1 Ų | 36.1 | 4% | 0.038 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -90.8 | -38.1 | -171.2 | -62 | 121.8 | 0 | 0 | 0 | 114 | T409 I411 S416 T545 T546 L547 S579 E580 K585 | T409-W413 VanDerWaalsContact CG2-CD1 3.43Å; T409-W413 PolarHBondContact O-N 2.96Å; T409-W413 VanDerWaalsContact O-N 3.16Å; I411-W413 PolarHBondContact O-N 3Å; W413-S416 PolarHBondContact O-OG 3.41Å; W413-T545 WeakPolarHBondContact CZ3-OG1 3.28Å; W413-T546 PolarHBondContact O-OG1 2.8Å; W413-L547 HydrophobicContact CB-CD1 4.17Å; W413-L547 HydrophobicContact CB-CG 3.84Å; W413-L547 HydrophobicContact CD2-CD1 4.22Å; W413-L547 HydrophobicContact CD2-CD2 3.76Å; W413-L547 HydrophobicContact CD2-CG 3.7Å; W413-L547 HydrophobicContact CE3-CD2 3.92Å; W413-L547 HydrophobicContact CE3-CG 4.13Å; W413-L547 HydrophobicContact CG-CD1 3.75Å; W413-L547 HydrophobicContact CG-CD2 4.16Å; W413-L547 HydrophobicContact CG-CG 3.55Å; W413-L547 HydrophobicContact CH2-CD2 4.41Å; W413-L547 HydrophobicContact CZ2-CD2 4.26Å; W413-L547 HydrophobicContact CZ3-CD2 4.24Å; W413-S579 PolarHBondContact NE1-OG 3.49Å; W413-E580 HydrophobicContact CH2-CG 4.46Å; W413-E580 HydrophobicContact CZ2-CG 3.97Å; W413-K585 HydrophobicContact CH2-CB 4.42Å; W413-K585 HydrophobicContact CH2-CD 4.4Å; W413-K585 HydrophobicContact CZ3-CB 4.08Å |
| 414 | Y | 91.2 | Very high | 92.4 | Very high | 55 Ų | 55 | 36.4 Ų | 36.4 | 22% | 0.216 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -98.5 | 0.9 | -173.8 | -62.2 | -83.1 | 0 | 0 | 0 | 113.9 | L410 S416 | L410-Y414 HydrophobicContact CD2-CD2 3.88Å; L410-Y414 HydrophobicContact CD2-CE2 4.06Å; L410-Y414 WeakPolarHBondContact O-CB 3.46Å; L410-Y414 PolarHBondContact O-N 3.43Å; Y414-S416 PolarHBondContact O-N 2.91Å |
| 415 | S | 94 | Very high | 92.5 | Very high | 18 Ų | 18 | 36.5 Ų | 36.5 | 13% | 0.126 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -3.7 | 168.3 | 62.3 | 0 | 0 | 0 | 0 | 113.9 | I411 I418 F419 R544 | I411-S415 WeakPolarHBondContact O-CB 3.13Å; I411-S415 PolarHBondContact O-N 3.41Å; I411-S415 PolarHBondContact O-OG 3.33Å; S415-I418 PolarHBondContact O-N 3.01Å; S415-F419 WeakPolarHBondContact O-CB 3.42Å; S415-F419 PolarHBondContact O-N 3.1Å; S415-R544 PolarHBondContact OG-NH2 2.85Å |
| 416 | S | 94 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.8 | -47.5 | -174.9 | -61.5 | 0 | 0 | 0 | 0 | 113.7 | W413 Y414 I418 F419 L420 R544 T545 | W413-S416 PolarHBondContact O-OG 3.41Å; Y414-S416 PolarHBondContact O-N 2.91Å; S416-I418 PolarHBondContact O-N 3.08Å; S416-F419 WeakPolarHBondContact O-CB 3.47Å; S416-F419 PolarHBondContact O-N 3.38Å; S416-F419 VanDerWaalsContact O-N 3.13Å; S416-L420 VanDerWaalsContact O-CG 3.3Å; S416-L420 WeakPolarHBondContact O-CG 3.5Å; S416-L420 PolarHBondContact O-N 3.22Å; S416-R544 WeakPolarHBondContact OG-CG 3.29Å; S416-T545 PolarHBondContact OG-O 3.33Å |
| 417 | P | 94.6 | Very high | 92.7 | Very high | 12 Ų | 12 | 40.3 Ų | 40.3 | 8% | 0.078 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.1 | -40.8 | 177.8 | -22.1 | 33.2 | 0 | 0 | 0 | 113.4 | F419 L420 L421 Y444 L588 | P417-F419 VanDerWaalsContact C-N 3.35Å; P417-L420 PolarHBondContact O-N 3.41Å; P417-L421 WeakPolarHBondContact O-CB 3.29Å; P417-L421 PolarHBondContact O-N 2.89Å; P417-L421 VanDerWaalsContact O-N 3.09Å; P417-Y444 WeakPolarHBondContact CB-O 3.44Å; P417-Y444 HydrophobicContact CG-CG 4.14Å; P417-L588 HydrophobicContact CB-CD2 4.49Å; P417-L588 HydrophobicContact CG-CD2 4.02Å |
| 418 | I | 95.7 | Very high | 92.1 | Very high | 21 Ų | 21 | 44.9 Ų | 44.9 | 11% | 0.108 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | 175.4 | -63.8 | 171.4 | 0 | 0 | 0 | 110.5 | S415 S416 K422 P446 F450 | S415-I418 PolarHBondContact O-N 3.01Å; S416-I418 PolarHBondContact O-N 3.08Å; I418-K422 HydrophobicContact CG2-CD 3.98Å; I418-K422 HydrophobicContact CG2-CG 4.45Å; I418-K422 WeakPolarHBondContact O-CB 3.35Å; I418-K422 VanDerWaalsContact O-CG 3.28Å; I418-K422 WeakPolarHBondContact O-CG 3.37Å; I418-K422 PolarHBondContact O-N 3.02Å; I418-K422 VanDerWaalsContact O-N 3.1Å; I418-P446 HydrophobicContact CD1-CB 4.48Å; I418-P446 HydrophobicContact CG1-CB 3.57Å; I418-P446 HydrophobicContact CG1-CG 4.09Å; I418-F450 HydrophobicContact CD1-CZ 4.4Å; I418-F450 HydrophobicContact CG1-CE2 4.47Å; I418-F450 HydrophobicContact CG2-CD1 4.02Å; I418-F450 HydrophobicContact CG2-CE1 3.95Å; I418-F450 HydrophobicContact CG2-CG 4.44Å; I418-F450 HydrophobicContact CG2-CZ 4.32Å |
| 419 | F | 96.6 | Very high | 91.4 | Very high | 57 Ų | 57 | 41.3 Ų | 41.3 | 25% | 0.25 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -62.2 | -48.9 | 178.7 | 176.4 | -95.1 | 0 | 0 | 0 | 111.6 | S415 S416 P417 L421 K422 H423 V542 R544 | S415-F419 WeakPolarHBondContact O-CB 3.42Å; S415-F419 PolarHBondContact O-N 3.1Å; S416-F419 WeakPolarHBondContact O-CB 3.47Å; S416-F419 PolarHBondContact O-N 3.38Å; S416-F419 VanDerWaalsContact O-N 3.13Å; P417-F419 VanDerWaalsContact C-N 3.35Å; F419-L421 VanDerWaalsContact C-N 3.35Å; F419-L421 PolarHBondContact O-N 3.05Å; F419-K422 PolarHBondContact O-N 3.43Å; F419-H423 AromaticContact CD2-CE1 3.32Å; F419-H423 WeakPolarHBondContact CD2-CE1 3.26Å; F419-H423 AromaticContact CD2-ND1 3.69Å; F419-H423 AromaticContact CE2-CE1 3.06Å; F419-H423 WeakPolarHBondContact CE2-CE1 3.38Å; F419-H423 AromaticContact CE2-ND1 3.68Å; F419-H423 AromaticContact CE2-NE2 3.6Å; F419-H423 AromaticContact CG-ND1 3.95Å; F419-H423 AromaticContact CZ-CE1 3.57Å; F419-H423 AromaticContact CZ-ND1 3.89Å; F419-H423 AromaticContact CZ-NE2 3.84Å; F419-H423 PolarHBondContact O-N 3.25Å; F419-H423 PolarHBondContact O-ND1 2.95Å; F419-V542 HydrophobicContact CD1-CG2 4.22Å; F419-V542 HydrophobicContact CE1-CG2 3.52Å; F419-V542 HydrophobicContact CZ-CG2 4.32Å; F419-R544 HydrophobicContact CD1-CB 3.92Å; F419-R544 HydrophobicContact CD1-CG 4.24Å; F419-R544 HydrophobicContact CE1-CB 4.3Å; F419-R544 VanDerWaalsContact CG-CD 3.49Å |
| 420 | L | 96.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.7 | -45.6 | 179.8 | -65.7 | 178 | 0 | 0 | 0 | 111.6 | S416 P417 K422 H423 L518 V542 R544 L588 M590 | S416-L420 VanDerWaalsContact O-CG 3.3Å; S416-L420 WeakPolarHBondContact O-CG 3.5Å; S416-L420 PolarHBondContact O-N 3.22Å; P417-L420 PolarHBondContact O-N 3.41Å; L420-K422 VanDerWaalsContact C-N 3.34Å; L420-K422 PolarHBondContact O-N 3.15Å; L420-H423 PolarHBondContact O-N 2.77Å; L420-L518 HydrophobicContact CD1-CD1 3.69Å; L420-V542 HydrophobicContact CD2-CB 4.36Å; L420-V542 HydrophobicContact CD2-CG1 3.8Å; L420-V542 HydrophobicContact CD2-CG2 4.08Å; L420-V542 WeakPolarHBondContact CD2-O 3.47Å; L420-R544 HydrophobicContact CD2-CB 4.32Å; L420-L588 HydrophobicContact CD1-CB 3.83Å; L420-L588 HydrophobicContact CD1-CD2 3.48Å; L420-L588 VanDerWaalsContact CD1-CD2 3.48Å; L420-L588 HydrophobicContact CD1-CG 3.38Å; L420-M590 HydrophobicContact CB-CB 4.33Å; L420-M590 HydrophobicContact CB-CE 4.12Å; L420-M590 HydrophobicContact CD2-CB 4.49Å |
| 421 | L | 95.7 | Very high | 90.3 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.7 | -36.6 | -178.8 | -161.8 | 70.5 | 0 | 0 | 0 | 112.5 | P417 F419 H423 L424 L436 F445 P446 F450 L451 P452 M590 | P417-L421 WeakPolarHBondContact O-CB 3.29Å; P417-L421 PolarHBondContact O-N 2.89Å; P417-L421 VanDerWaalsContact O-N 3.09Å; F419-L421 VanDerWaalsContact C-N 3.35Å; F419-L421 PolarHBondContact O-N 3.05Å; L421-H423 VanDerWaalsContact C-N 3.29Å; L421-H423 PolarHBondContact O-N 3.4Å; L421-L424 HydrophobicContact CD1-CD1 3.69Å; L421-L424 HydrophobicContact CG-CD1 4.45Å; L421-L424 PolarHBondContact O-N 3.45Å; L421-L436 HydrophobicContact CD1-CD2 3.41Å; L421-L436 VanDerWaalsContact CD1-CD2 3.41Å; L421-F445 HydrophobicContact CD1-CE2 4.29Å; L421-F445 HydrophobicContact CD2-CD2 4.39Å; L421-F445 HydrophobicContact CD2-CE2 3.83Å; L421-P446 HydrophobicContact CB-CG 4.41Å; L421-P446 HydrophobicContact CD2-CG 3.62Å; L421-F450 HydrophobicContact CD2-CB 3.82Å; L421-F450 HydrophobicContact CG-CB 4.45Å; L421-L451 HydrophobicContact CD1-CD2 3.72Å; L421-L451 HydrophobicContact CD2-CD2 4.36Å; L421-L451 HydrophobicContact CD2-CG 4.5Å; L421-L451 HydrophobicContact CG-CD2 4.04Å; L421-P452 WeakPolarHBondContact O-CD 3.49Å; L421-M590 HydrophobicContact CD1-CE 4.45Å |
| 422 | K | 94.5 | Very high | 89.9 | Confident | 109 Ų | 109 | 57.9 Ų | 57.9 | 47% | 0.474 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -68.3 | -23.9 | 176.9 | -76.9 | 178.2 | 177.7 | -177.7 | 0 | 114.1 | I418 F419 L420 F450 | I418-K422 HydrophobicContact CG2-CD 3.98Å; I418-K422 HydrophobicContact CG2-CG 4.45Å; I418-K422 WeakPolarHBondContact O-CB 3.35Å; I418-K422 VanDerWaalsContact O-CG 3.28Å; I418-K422 WeakPolarHBondContact O-CG 3.37Å; I418-K422 PolarHBondContact O-N 3.02Å; I418-K422 VanDerWaalsContact O-N 3.1Å; F419-K422 PolarHBondContact O-N 3.43Å; L420-K422 VanDerWaalsContact C-N 3.34Å; L420-K422 PolarHBondContact O-N 3.15Å; K422-F450 VanDerWaalsContact CE-CD1 3.44Å; K422-F450 HydrophobicContact CG-CD1 4.43Å |
| 423 | H | 95.5 | Very high | 90 | Very high | 98 Ų | 98 | 55.5 Ų | 55.5 | 45% | 0.454 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 9 | -178.1 | -70.9 | 77.5 | 0 | 0 | 0 | 113 | F419 L420 L421 V542 | F419-H423 AromaticContact CD2-CE1 3.32Å; F419-H423 WeakPolarHBondContact CD2-CE1 3.26Å; F419-H423 AromaticContact CD2-ND1 3.69Å; F419-H423 AromaticContact CE2-CE1 3.06Å; F419-H423 WeakPolarHBondContact CE2-CE1 3.38Å; F419-H423 AromaticContact CE2-ND1 3.68Å; F419-H423 AromaticContact CE2-NE2 3.6Å; F419-H423 AromaticContact CG-ND1 3.95Å; F419-H423 AromaticContact CZ-CE1 3.57Å; F419-H423 AromaticContact CZ-ND1 3.89Å; F419-H423 AromaticContact CZ-NE2 3.84Å; F419-H423 PolarHBondContact O-N 3.25Å; F419-H423 PolarHBondContact O-ND1 2.95Å; L420-H423 PolarHBondContact O-N 2.77Å; L421-H423 VanDerWaalsContact C-N 3.29Å; L421-H423 PolarHBondContact O-N 3.4Å; H423-V542 HydrophobicContact CB-CB 4.32Å; H423-V542 HydrophobicContact CB-CG1 4.01Å; H423-V542 HydrophobicContact CB-CG2 4.15Å |
| 424 | L | 95.3 | Very high | 90.3 | Very high | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -62.9 | 146.2 | 164.9 | -78.4 | 169.6 | 0 | 0 | 0 | 110.4 | L421 L436 L451 P452 W458 Y516 L541 M590 | L421-L424 HydrophobicContact CD1-CD1 3.69Å; L421-L424 HydrophobicContact CG-CD1 4.45Å; L421-L424 PolarHBondContact O-N 3.45Å; L424-L436 HydrophobicContact CD1-CD2 4.35Å; L424-L451 HydrophobicContact CD1-CD2 4.26Å; L424-P452 HydrophobicContact CB-CG 4.07Å; L424-P452 VanDerWaalsContact O-CG 3.32Å; L424-P452 WeakPolarHBondContact O-CG 3.14Å; L424-W458 HydrophobicContact CB-CH2 3.73Å; L424-W458 HydrophobicContact CB-CZ2 4.07Å; L424-W458 HydrophobicContact CD1-CH2 3.83Å; L424-W458 HydrophobicContact CD1-CZ2 4.42Å; L424-W458 HydrophobicContact CD1-CZ3 3.95Å; L424-W458 HydrophobicContact CD2-CH2 4.17Å; L424-W458 HydrophobicContact CD2-CZ3 4.45Å; L424-W458 HydrophobicContact CG-CH2 4.14Å; L424-Y516 HydrophobicContact CD2-CD1 3.67Å; L424-Y516 HydrophobicContact CD2-CD2 4.04Å; L424-Y516 HydrophobicContact CD2-CE1 4.1Å; L424-Y516 HydrophobicContact CD2-CE2 4.41Å; L424-Y516 HydrophobicContact CD2-CG 3.66Å; L424-L541 HydrophobicContact CD2-CD2 4.3Å; L424-M590 HydrophobicContact CD1-CE 4.35Å; L424-M590 HydrophobicContact CD2-CG 3.54Å; L424-M590 HydrophobicContact CD2-SD 3.92Å; L424-M590 HydrophobicContact CG-CE 4.47Å; L424-M590 HydrophobicContact CG-CG 4.18Å; L424-M590 HydrophobicContact CG-SD 4.44Å |
| 425 | P | 93.1 | Very high | 90.5 | Very high | 48 Ų | 48 | 53.6 Ų | 53.6 | 31% | 0.312 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 147.3 | 175.5 | 29.9 | -34.5 | 0 | 0 | 0 | 110.2 | P427 W458 Y516 | P425-P427 WeakPolarHBondContact O-CD 3.24Å; P425-W458 VanDerWaalsContact O-CZ2 3.27Å; P425-W458 WeakPolarHBondContact O-CZ2 3.48Å; P425-Y516 HydrophobicContact CG-CE1 4.22Å; P425-Y516 WeakPolarHBondContact CG-OH 3.46Å |
| 426 | V | 92.5 | Very high | 90.6 | Very high | 97 Ų | 97 | 52.9 Ų | 52.9 | 59% | 0.588 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 125.5 | 173.6 | 173.7 | 0 | 0 | 0 | 0 | 108.7 | S428 P452 | V426-S428 PolarHBondContact O-N 3.4Å; V426-P452 HydrophobicContact CG2-CB 3.85Å |
| 427 | P | 90.4 | Very high | 90.6 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 16% | 0.156 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 131 | 178.9 | -23 | 33.8 | 0 | 0 | 0 | 111.5 | P425 P434 N457 W458 | P425-P427 WeakPolarHBondContact O-CD 3.24Å; P427-P434 HydrophobicContact CB-CG 4.1Å; P427-P434 HydrophobicContact CG-CG 3.84Å; P427-N457 HydrophobicContact CB-CB 4.21Å; P427-N457 HydrophobicContact CG-CB 4.1Å; P427-W458 HydrophobicContact CG-CD2 4.13Å; P427-W458 VanDerWaalsContact CG-CE2 3.44Å; P427-W458 HydrophobicContact CG-CH2 4.33Å; P427-W458 HydrophobicContact CG-CZ2 3.59Å |
| 428 | S | 81.3 | Confident | 90.7 | Very high | 111 Ų | 111 | 52.4 Ų | 52.4 | 78% | 0.776 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -80 | -26 | -177.6 | 53.5 | 0 | 0 | 0 | 0 | 113.7 | V426 | V426-S428 PolarHBondContact O-N 3.4Š|
| 429 | S | 75.9 | Confident | 90.6 | Very high | 39 Ų | 39 | 51.8 Ų | 51.8 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | trans | -127.3 | 140.3 | -176.8 | 85.1 | 0 | 0 | 0 | 0 | 112.8 | N432 | S429-N432 PolarHBondContact OG-N 3.29Š| ||
| 430 | Q | 72.5 | Confident | 90.3 | Very high | 148 Ų | 148 | 50 Ų | 50 | 69% | 0.692 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -81.1 | -22.2 | 174.2 | -64.6 | -173.7 | -9.8 | 0 | 0 | 113 | K433 | Q430-K433 WeakPolarHBondContact O-CE 3.37Å; Q430-K433 WeakPolarHBondContact O-CG 3.45Å |
| 431 | S | 78.1 | Confident | 90.1 | Very high | 116 Ų | 116 | 50.1 Ų | 50.1 | 81% | 0.811 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -77.8 | -40.2 | -177.2 | 52.4 | 0 | 0 | 0 | 0 | 112.2 | ||
| 432 | N | 85.8 | Confident | 90.1 | Very high | 119 Ų | 119 | 51.3 Ų | 51.3 | 64% | 0.636 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -109.9 | 78 | 179.7 | -162.9 | 19.1 | 0 | 0 | 0 | 110.9 | S429 | S429-N432 PolarHBondContact OG-N 3.29Š|
| 433 | K | 90.5 | Very high | 90 | Very high | 73 Ų | 73 | 49.3 Ų | 49.3 | 32% | 0.317 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 123.5 | -177.4 | -61.5 | -178.3 | -173.5 | -174.8 | 0 | 110.8 | Q430 E456 N457 R459 | Q430-K433 WeakPolarHBondContact O-CE 3.37Å; Q430-K433 WeakPolarHBondContact O-CG 3.45Å; K433-E456 VanDerWaalsContact CD-O 3.31Å; K433-E456 WeakPolarHBondContact CD-O 3.19Å; K433-E456 WeakPolarHBondContact CE-O 3.39Å; K433-E456 PolarHBondContact NZ-O 3.28Å; K433-N457 WeakPolarHBondContact CB-O 3.46Å; K433-R459 HydrophobicContact CB-CG 4.08Å; K433-R459 PolarHBondContact O-NE 3.39Å; K433-R459 PolarHBondContact O-NH2 3.19Å; K433-R459 VanDerWaalsContact O-NH2 3.1Å |
| 434 | P | 93.5 | Very high | 89.9 | Confident | 17 Ų | 17 | 47 Ų | 47 | 11% | 0.11 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 145.2 | 175.6 | 27.1 | -36.4 | 0 | 0 | 0 | 111.3 | P427 N457 W458 R459 T515 Y516 | P427-P434 HydrophobicContact CB-CG 4.1Å; P427-P434 HydrophobicContact CG-CG 3.84Å; P434-N457 WeakPolarHBondContact CD-O 3.23Å; P434-W458 HydrophobicContact CB-CE3 4.35Å; P434-W458 HydrophobicContact CB-CZ3 4.16Å; P434-W458 HydrophobicContact CG-CD2 4.18Å; P434-W458 HydrophobicContact CG-CE3 3.76Å; P434-W458 HydrophobicContact CG-CH2 4.21Å; P434-W458 HydrophobicContact CG-CZ3 3.77Å; P434-R459 PolarHBondContact O-N 3.22Å; P434-T515 HydrophobicContact CB-CG2 3.68Å; P434-Y516 HydrophobicContact CB-CD2 4.22Å; P434-Y516 HydrophobicContact CB-CE2 3.85Å; P434-Y516 HydrophobicContact CG-CE2 4.48Å |
| 435 | L | 94.4 | Very high | 89.9 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 116.2 | 176.1 | -179.8 | 61.6 | 0 | 0 | 0 | 109.9 | R459 I507 E513 T515 Y516 | L435-R459 CarbonylContact C-O 3.59Å; L435-R459 WeakPolarHBondContact CA-O 3.46Å; L435-R459 HydrophobicContact CB-CB 4.36Å; L435-R459 HydrophobicContact CD1-CB 3.6Å; L435-I507 HydrophobicContact CD1-CD1 4.26Å; L435-I507 HydrophobicContact CD2-CD1 3.76Å; L435-I507 HydrophobicContact CD2-CG1 4.43Å; L435-I507 HydrophobicContact CD2-CG2 4.49Å; L435-I507 HydrophobicContact CG-CD1 4.27Å; L435-E513 HydrophobicContact CD2-CB 3.78Å; L435-T515 PolarHBondContact N-OG1 3.34Å; L435-T515 WeakPolarHBondContact O-CB 3.42Å; L435-T515 PolarHBondContact O-N 3.23Å; L435-Y516 PolarHBondContact O-N 3Å |
| 436 | L | 95.6 | Very high | 90 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 114.9 | 168 | 175.7 | 63.7 | 0 | 0 | 0 | 109.5 | L421 L424 I438 F445 L451 W458 R459 I460 G461 M590 | L421-L436 HydrophobicContact CD1-CD2 3.41Å; L421-L436 VanDerWaalsContact CD1-CD2 3.41Å; L424-L436 HydrophobicContact CD1-CD2 4.35Å; L436-I438 HydrophobicContact CD2-CD1 4.46Å; L436-I438 HydrophobicContact CG-CG1 4.27Å; L436-F445 HydrophobicContact CD2-CE2 4.38Å; L436-L451 HydrophobicContact CD2-CD2 4.25Å; L436-W458 HydrophobicContact CB-CE3 4.45Å; L436-R459 PolarHBondContact N-O 3.49Å; L436-I460 VanDerWaalsContact O-CA 3.29Å; L436-I460 WeakPolarHBondContact O-CA 3.16Å; L436-G461 PolarHBondContact O-N 3Å; L436-M590 HydrophobicContact CD1-CE 4.09Å; L436-M590 HydrophobicContact CD1-SD 3.63Å |
| 437 | C | 95.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 138.3 | 177.6 | -69.6 | 0 | 0 | 0 | 0 | 111.3 | G461 V463 I507 C514 Y516 I517 L518 | C437-G461 WeakPolarHBondContact CA-O 3.14Å; C437-V463 HydrophobicContact CB-CG1 3.89Å; C437-I507 WeakPolarHBondContact SG-CD1 3.28Å; C437-C514 HydrophobicContact CB-CB 3.8Å; C437-C514 WeakPolarHBondContact CB-SG 3.42Å; C437-C514 VanDerWaalsContact SG-CA 3.53Å; C437-C514 WeakPolarHBondContact SG-CB 3.42Å; C437-C514 CovalentContact SG-SG 2.02Å; C437-C514 PolarHBondContact SG-SG 3.21Å; C437-Y516 PolarHBondContact N-O 3.12Å; C437-I517 HydrophobicContact CB-CB 4.18Å; C437-I517 HydrophobicContact CB-CD1 4.04Å; C437-I517 HydrophobicContact CB-CG1 3.97Å; C437-I517 WeakPolarHBondContact O-CA 3.42Å; C437-L518 PolarHBondContact O-N 2.91Å; C437-L518 VanDerWaalsContact O-N 3.12Å |
| 438 | I | 95.5 | Very high | 90.6 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 125.6 | -178.8 | -46 | 176.5 | 0 | 0 | 0 | 108.5 | L436 W442 F445 I460 G461 F462 V463 L518 | L436-I438 HydrophobicContact CD2-CD1 4.46Å; L436-I438 HydrophobicContact CG-CG1 4.27Å; I438-W442 HydrophobicContact CG2-CB 4.19Å; I438-F445 HydrophobicContact CD1-CB 3.98Å; I438-F445 HydrophobicContact CD1-CD2 3.32Å; I438-F445 HydrophobicContact CD1-CE2 3.93Å; I438-F445 HydrophobicContact CD1-CG 3.71Å; I438-I460 HydrophobicContact CD1-CG2 3.74Å; I438-I460 HydrophobicContact CG1-CG2 4.29Å; I438-G461 PolarHBondContact N-O 3.11Å; I438-F462 HydrophobicContact CB-CD1 4.3Å; I438-F462 VanDerWaalsContact O-CA 3.25Å; I438-F462 WeakPolarHBondContact O-CA 3.22Å; I438-V463 PolarHBondContact O-N 3.34Å; I438-L518 HydrophobicContact CG2-CD2 4.26Å |
| 439 | G | 93.4 | Very high | 91.3 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 8% | 0.082 | 18% | 0.18 | C | C | . | . | trans | -109.8 | -118.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D441 W442 | G439-D441 PolarHBondContact O-N 3.48Å; G439-D441 VanDerWaalsContact O-N 3.13Å; G439-W442 WeakPolarHBondContact O-CB 3.2Å; G439-W442 PolarHBondContact O-N 3.22Å | ||
| 440 | R | 91.6 | Very high | 92.3 | Very high | 21 Ų | 21 | 33.1 Ų | 33.1 | 8% | 0.079 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -28.8 | -175.5 | 67.9 | -169.4 | 170.2 | 163.3 | -12.5 | 115.6 | W442 D519 R520 S522 P523 E528 | R440-W442 VanDerWaalsContact C-N 3.31Å; R440-W442 PolarHBondContact O-N 3.2Å; R440-D519 IonicContact CZ-OD1 3.32Å; R440-D519 IonicContact NE-OD1 3.35Å; R440-D519 PolarHBondContact NE-OD1 3.26Å; R440-D519 IonicContact NH2-OD1 2.88Å; R440-D519 PolarHBondContact NH2-OD1 3.27Å; R440-R520 VanDerWaalsContact CZ-CG 3.45Å; R440-R520 PolarHBondContact NH2-O 2.9Å; R440-S522 PolarHBondContact NH1-O 2.92Å; R440-S522 PolarHBondContact NH2-O 3.17Å; R440-P523 PolarHBondContact NH1-O 3.34Å; R440-P523 VanDerWaalsContact NH1-O 3.1Å; R440-E528 VanDerWaalsContact CB-CD 3.45Å; R440-E528 HydrophobicContact CB-CG 4.22Å; R440-E528 WeakPolarHBondContact CB-OE1 3.33Å; R440-E528 WeakPolarHBondContact CD-OE2 3.48Å; R440-E528 IonicContact NH1-OE2 2.74Å |
| 441 | D | 91.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.011 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 23.9 | 179.4 | -64.7 | -64.4 | 0 | 0 | 0 | 112.8 | G439 H443 Y444 L518 R520 | G439-D441 PolarHBondContact O-N 3.48Å; G439-D441 VanDerWaalsContact O-N 3.13Å; D441-H443 PolarHBondContact O-N 2.68Å; D441-H443 VanDerWaalsContact O-N 3.12Å; D441-Y444 HydrophobicContact CB-CD2 3.96Å; D441-Y444 WeakPolarHBondContact O-CB 3.5Å; D441-Y444 PolarHBondContact O-N 3.36Å; D441-L518 HydrophobicContact CB-CD2 4.11Å; D441-R520 IonicContact OD1-CZ 3.54Å; D441-R520 IonicContact OD1-NE 2.92Å; D441-R520 IonicContact OD1-NH1 3.2Å; D441-R520 PolarHBondContact OD1-NH1 2.91Å; D441-R520 VanDerWaalsContact OD2-CD 3.3Å; D441-R520 WeakPolarHBondContact OD2-CD 3.43Å; D441-R520 IonicContact OD2-NE 3.87Å; D441-R520 IonicContact OD2-NH1 3.44Å |
| 442 | W | 95 | Very high | 94.2 | Very high | 28 Ų | 28 | 21.9 Ų | 21.9 | 11% | 0.106 | 11% | 0.107 | C | C | . | . | G | 310 helix | trans | -52.5 | -34.1 | 178.7 | 67 | -92.1 | 0 | 0 | 0 | 113.4 | C27 Y31 I438 G439 R440 Y444 F445 F462 F467 L471 P472 | C27-W442 HydrophobicContact CB-CZ3 4.28Å; Y31-W442 HydrophobicContact CD2-CE3 4.37Å; Y31-W442 HydrophobicContact CD2-CZ3 4.05Å; Y31-W442 AromaticContact CE2-CE3 3.59Å; Y31-W442 HydrophobicContact CE2-CE3 3.59Å; Y31-W442 AromaticContact CE2-CZ3 3.71Å; Y31-W442 HydrophobicContact CE2-CZ3 3.71Å; Y31-W442 PolarHBondContact OH-O 3.01Å; I438-W442 HydrophobicContact CG2-CB 4.19Å; G439-W442 WeakPolarHBondContact O-CB 3.2Å; G439-W442 PolarHBondContact O-N 3.22Å; R440-W442 VanDerWaalsContact C-N 3.31Å; R440-W442 PolarHBondContact O-N 3.2Å; W442-Y444 PolarHBondContact O-N 3.38Å; W442-F445 WeakPolarHBondContact O-CB 3.48Å; W442-F445 PolarHBondContact O-N 3.13Å; W442-F462 HydrophobicContact CB-CD1 4.09Å; W442-F462 HydrophobicContact CB-CE1 3.85Å; W442-F467 HydrophobicContact CH2-CZ 4.46Å; W442-F467 HydrophobicContact CZ2-CD1 4.11Å; W442-F467 HydrophobicContact CZ2-CD2 4.32Å; W442-F467 AromaticContact CZ2-CE1 3.77Å; W442-F467 HydrophobicContact CZ2-CE1 3.77Å; W442-F467 HydrophobicContact CZ2-CE2 4.01Å; W442-F467 HydrophobicContact CZ2-CG 4.36Å; W442-F467 AromaticContact CZ2-CZ 3.72Å; W442-F467 HydrophobicContact CZ2-CZ 3.72Å; W442-F467 AromaticContact NE1-CD1 3.64Å; W442-F467 AromaticContact NE1-CG 3.64Å; W442-L471 HydrophobicContact CB-CD2 4.44Å; W442-L471 HydrophobicContact CD2-CD2 3.44Å; W442-L471 VanDerWaalsContact CD2-CD2 3.44Å; W442-L471 HydrophobicContact CE3-CD2 3.93Å; W442-L471 HydrophobicContact CG-CD2 3.67Å; W442-L471 HydrophobicContact CZ2-CD2 4.12Å; W442-L471 HydrophobicContact CZ3-CD2 4.45Å; W442-P472 HydrophobicContact CZ3-CG 4.42Å |
| 443 | H | 93.7 | Very high | 94.5 | Very high | 68 Ų | 68 | 18.1 Ų | 18.1 | 32% | 0.315 | 10% | 0.096 | S | C | . | . | G | 310 helix | trans | -69.3 | -15.4 | 178.8 | 58.9 | -83.4 | 0 | 0 | 0 | 113.2 | C27 D441 | C27-H443 HydrophobicContact CB-CB 3.92Å; D441-H443 PolarHBondContact O-N 2.68Å; D441-H443 VanDerWaalsContact O-N 3.12Å |
| 444 | Y | 92.7 | Very high | 94.6 | Very high | 49 Ų | 49 | 15.1 Ų | 15.1 | 19% | 0.192 | 9% | 0.086 | C | C | . | . | G | 310 helix | trans | -91.1 | -4.6 | 174 | -71.6 | -39.5 | 0 | 0 | 0 | 114.2 | P417 D441 W442 P446 | P417-Y444 WeakPolarHBondContact CB-O 3.44Å; P417-Y444 HydrophobicContact CG-CG 4.14Å; D441-Y444 HydrophobicContact CB-CD2 3.96Å; D441-Y444 WeakPolarHBondContact O-CB 3.5Å; D441-Y444 PolarHBondContact O-N 3.36Å; W442-Y444 PolarHBondContact O-N 3.38Å; Y444-P446 VanDerWaalsContact O-CD 3.31Å; Y444-P446 WeakPolarHBondContact O-CD 3.27Å |
| 445 | F | 95.7 | Very high | 94.5 | Very high | 4 Ų | 4 | 14.3 Ų | 14.3 | 2% | 0.018 | 8% | 0.081 | C | C | . | . | trans | -60.7 | 121.8 | 174.7 | 179.1 | -111.2 | 0 | 0 | 0 | 110 | T30 Y31 F49 L421 L436 I438 W442 S447 R448 I460 | T30-F445 HydrophobicContact CG2-CD1 4.04Å; T30-F445 WeakPolarHBondContact CG2-O 3.02Å; T30-F445 PolarHBondContact OG1-O 3.45Å; T30-F445 VanDerWaalsContact OG1-O 3.11Å; Y31-F445 HydrophobicContact CE1-CD1 4.17Å; Y31-F445 WeakPolarHBondContact OH-CB 3.42Å; F49-F445 HydrophobicContact CD2-CE1 4.26Å; F49-F445 HydrophobicContact CE2-CD1 4.42Å; F49-F445 HydrophobicContact CE2-CE1 4.05Å; L421-F445 HydrophobicContact CD1-CE2 4.29Å; L421-F445 HydrophobicContact CD2-CD2 4.39Å; L421-F445 HydrophobicContact CD2-CE2 3.83Å; L436-F445 HydrophobicContact CD2-CE2 4.38Å; I438-F445 HydrophobicContact CD1-CB 3.98Å; I438-F445 HydrophobicContact CD1-CD2 3.32Å; I438-F445 HydrophobicContact CD1-CE2 3.93Å; I438-F445 HydrophobicContact CD1-CG 3.71Å; W442-F445 WeakPolarHBondContact O-CB 3.48Å; W442-F445 PolarHBondContact O-N 3.13Å; F445-S447 VanDerWaalsContact CZ-C 3.45Å; F445-R448 HydrophobicContact CZ-CG 4.34Å; F445-I460 HydrophobicContact CE1-CD1 4.4Å; F445-I460 HydrophobicContact CE2-CD1 4.12Å; F445-I460 HydrophobicContact CZ-CD1 3.6Å | ||
| 446 | P | 95.4 | Very high | 94.4 | Very high | 6 Ų | 6 | 17.3 Ų | 17.3 | 4% | 0.039 | 10% | 0.095 | C | C | . | . | trans | -83.1 | -37.8 | -169.9 | 30.5 | -35.7 | 0 | 0 | 0 | 113.8 | I24 T30 I418 L421 Y444 F450 | I24-P446 HydrophobicContact CD1-CB 4.22Å; I24-P446 WeakPolarHBondContact CD1-O 3.45Å; T30-P446 PolarHBondContact OG1-O 3.04Å; I418-P446 HydrophobicContact CD1-CB 4.48Å; I418-P446 HydrophobicContact CG1-CB 3.57Å; I418-P446 HydrophobicContact CG1-CG 4.09Å; L421-P446 HydrophobicContact CB-CG 4.41Å; L421-P446 HydrophobicContact CD2-CG 3.62Å; Y444-P446 VanDerWaalsContact O-CD 3.31Å; Y444-P446 WeakPolarHBondContact O-CD 3.27Å; P446-F450 HydrophobicContact CB-CD2 3.76Å; P446-F450 HydrophobicContact CB-CE2 3.96Å; P446-F450 HydrophobicContact CG-CD2 3.96Å | ||
| 447 | S | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | trans | 154.2 | 155.7 | 171.3 | 173.3 | 0 | 0 | 0 | 0 | 110.2 | E35 F445 F449 F450 | E35-S447 WeakPolarHBondContact OE1-CA 2.95Å; E35-S447 WeakPolarHBondContact OE1-CB 3.5Å; E35-S447 PolarHBondContact OE1-OG 3.23Å; F445-S447 VanDerWaalsContact CZ-C 3.45Å; S447-F449 PolarHBondContact O-N 3.45Å; S447-F449 VanDerWaalsContact O-N 3.1Å; S447-F449 WeakPolarHBondContact OG-CD2 3.46Å; S447-F449 PolarHBondContact OG-N 2.76Å; S447-F449 VanDerWaalsContact OG-N 3.14Å; S447-F450 PolarHBondContact O-N 3.35Å; S447-F450 VanDerWaalsContact O-N 3.12Å | ||
| 448 | R | 97.1 | Very high | 94.2 | Very high | 11 Ų | 11 | 18.9 Ų | 18.9 | 4% | 0.042 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -50.3 | -23.7 | 164 | -75.9 | 179 | 167.9 | 93.1 | -1.6 | 114.1 | E35 G46 F49 F445 F450 L451 A455 I460 | E35-R448 PolarHBondContact OE1-N 2.91Å; E35-R448 WeakPolarHBondContact OE2-CD 3.35Å; E35-R448 IonicContact OE2-CZ 3.21Å; E35-R448 IonicContact OE2-NE 2.85Å; E35-R448 IonicContact OE2-NH1 2.65Å; E35-R448 PolarHBondContact OE2-NH1 3.23Å; G46-R448 WeakPolarHBondContact O-CD 3.5Å; F49-R448 VanDerWaalsContact CE2-NH1 3.25Å; F445-R448 HydrophobicContact CZ-CG 4.34Å; R448-F450 PolarHBondContact O-N 3.07Å; R448-F450 VanDerWaalsContact O-N 3.11Å; R448-L451 HydrophobicContact CB-CD1 4.31Å; R448-L451 HydrophobicContact CG-CD1 4.09Å; R448-L451 PolarHBondContact O-N 3.23Å; R448-L451 VanDerWaalsContact O-N 3.15Å; R448-A455 HydrophobicContact CB-CB 3.88Å; R448-A455 HydrophobicContact CG-CB 4.35Å; R448-I460 HydrophobicContact CG-CD1 3.64Å |
| 449 | F | 97.4 | Very high | 94.1 | Very high | 1 Ų | 1 | 24 Ų | 24 | 0% | 0.004 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -57.4 | -23.7 | 174.5 | -81.5 | -66.8 | 0 | 0 | 0 | 114.4 | W34 L37 H38 S73 F77 N83 W84 A86 L87 S447 | W34-F449 HydrophobicContact CB-CD2 4.39Å; W34-F449 AromaticContact CE3-CD2 3.99Å; W34-F449 HydrophobicContact CE3-CD2 3.99Å; W34-F449 AromaticContact CE3-CE2 3.79Å; W34-F449 HydrophobicContact CE3-CE2 3.79Å; W34-F449 VanDerWaalsContact O-CE2 3.3Å; W34-F449 WeakPolarHBondContact O-CE2 3.46Å; L37-F449 HydrophobicContact CD2-CZ 4.39Å; L37-F449 HydrophobicContact CG-CZ 4.29Å; H38-F449 HydrophobicContact CB-CD2 4.06Å; H38-F449 HydrophobicContact CB-CE1 4.46Å; H38-F449 HydrophobicContact CB-CE2 3.58Å; H38-F449 HydrophobicContact CB-CZ 3.81Å; H38-F449 AromaticContact CD2-CD1 3.79Å; H38-F449 AromaticContact CD2-CE1 3.86Å; H38-F449 AromaticContact CD2-CG 3.99Å; S73-F449 WeakPolarHBondContact OG-CZ 3.41Å; F77-F449 AromaticContact CE2-CE1 3.68Å; F77-F449 HydrophobicContact CE2-CE1 3.68Å; F77-F449 HydrophobicContact CE2-CZ 4.38Å; F77-F449 HydrophobicContact CZ-CD1 4.33Å; F77-F449 AromaticContact CZ-CE1 3.81Å; F77-F449 HydrophobicContact CZ-CE1 3.81Å; N83-F449 CarbonylContact C-O 3.47Å; N83-F449 HydrophobicContact CB-CD1 4.17Å; N83-F449 WeakPolarHBondContact CB-O 3.42Å; N83-F449 WeakPolarHBondContact O-CD1 3.46Å; W84-F449 WeakPolarHBondContact CA-O 3.22Å; W84-F449 PolarHBondContact N-O 3.04Å; A86-F449 HydrophobicContact CB-CD1 4.33Å; A86-F449 HydrophobicContact CB-CE1 3.85Å; L87-F449 HydrophobicContact CB-CB 3.99Å; L87-F449 HydrophobicContact CB-CD1 4.12Å; L87-F449 HydrophobicContact CB-CD2 4.36Å; L87-F449 HydrophobicContact CB-CG 3.92Å; L87-F449 HydrophobicContact CD1-CB 3.64Å; L87-F449 HydrophobicContact CD1-CD2 4.02Å; L87-F449 HydrophobicContact CD1-CG 4.01Å; L87-F449 HydrophobicContact CG-CB 4.48Å; S447-F449 PolarHBondContact O-N 3.45Å; S447-F449 VanDerWaalsContact O-N 3.1Å; S447-F449 WeakPolarHBondContact OG-CD2 3.46Å; S447-F449 PolarHBondContact OG-N 2.76Å; S447-F449 VanDerWaalsContact OG-N 3.14Å |
| 450 | F | 96.8 | Very high | 94.1 | Very high | 13 Ų | 13 | 24 Ų | 24 | 6% | 0.057 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -98 | 1.1 | -178 | -66.2 | -71 | 0 | 0 | 0 | 114 | I24 L87 I418 L421 K422 P446 S447 R448 P452 | I24-F450 HydrophobicContact CD1-CE2 4Å; L87-F450 HydrophobicContact CD1-CD2 4.37Å; L87-F450 HydrophobicContact CD1-CE2 3.55Å; L87-F450 HydrophobicContact CD1-CZ 3.64Å; L87-F450 HydrophobicContact CD2-CZ 3.92Å; L87-F450 HydrophobicContact CG-CZ 4.43Å; I418-F450 HydrophobicContact CD1-CZ 4.4Å; I418-F450 HydrophobicContact CG1-CE2 4.47Å; I418-F450 HydrophobicContact CG2-CD1 4.02Å; I418-F450 HydrophobicContact CG2-CE1 3.95Å; I418-F450 HydrophobicContact CG2-CG 4.44Å; I418-F450 HydrophobicContact CG2-CZ 4.32Å; L421-F450 HydrophobicContact CD2-CB 3.82Å; L421-F450 HydrophobicContact CG-CB 4.45Å; K422-F450 VanDerWaalsContact CE-CD1 3.44Å; K422-F450 HydrophobicContact CG-CD1 4.43Å; P446-F450 HydrophobicContact CB-CD2 3.76Å; P446-F450 HydrophobicContact CB-CE2 3.96Å; P446-F450 HydrophobicContact CG-CD2 3.96Å; S447-F450 PolarHBondContact O-N 3.35Å; S447-F450 VanDerWaalsContact O-N 3.12Å; R448-F450 PolarHBondContact O-N 3.07Å; R448-F450 VanDerWaalsContact O-N 3.11Å; F450-P452 WeakPolarHBondContact O-CD 3.32Å |
| 451 | L | 96.3 | Very high | 94.3 | Very high | 7 Ų | 7 | 23.2 Ų | 23.2 | 4% | 0.037 | 12% | 0.118 | C | C | . | . | trans | -72.3 | 127.8 | 179.6 | -75.3 | 171.2 | 0 | 0 | 0 | 111.9 | L421 L424 L436 R448 A455 W458 I460 | L421-L451 HydrophobicContact CD1-CD2 3.72Å; L421-L451 HydrophobicContact CD2-CD2 4.36Å; L421-L451 HydrophobicContact CD2-CG 4.5Å; L421-L451 HydrophobicContact CG-CD2 4.04Å; L424-L451 HydrophobicContact CD1-CD2 4.26Å; L436-L451 HydrophobicContact CD2-CD2 4.25Å; R448-L451 HydrophobicContact CB-CD1 4.31Å; R448-L451 HydrophobicContact CG-CD1 4.09Å; R448-L451 PolarHBondContact O-N 3.23Å; R448-L451 VanDerWaalsContact O-N 3.15Å; L451-A455 HydrophobicContact CD1-CB 4.16Å; L451-W458 HydrophobicContact CB-CG 4.35Å; L451-W458 HydrophobicContact CD1-CB 3.81Å; L451-W458 HydrophobicContact CD1-CG 3.87Å; L451-W458 HydrophobicContact CD2-CD2 3.91Å; L451-W458 HydrophobicContact CD2-CE3 4.27Å; L451-W458 HydrophobicContact CD2-CG 4.05Å; L451-W458 HydrophobicContact CG-CG 4.33Å; L451-I460 HydrophobicContact CD1-CD1 3.87Å; L451-I460 HydrophobicContact CD1-CG1 4.45Å | ||
| 452 | P | 94.6 | Very high | 94.5 | Very high | 20 Ų | 20 | 23.3 Ų | 23.3 | 13% | 0.13 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 141.8 | 178.1 | -25.4 | 37.5 | 0 | 0 | 0 | 112.8 | L421 L424 V426 F450 G454 W458 | L421-P452 WeakPolarHBondContact O-CD 3.49Å; L424-P452 HydrophobicContact CB-CG 4.07Å; L424-P452 VanDerWaalsContact O-CG 3.32Å; L424-P452 WeakPolarHBondContact O-CG 3.14Å; V426-P452 HydrophobicContact CG2-CB 3.85Å; F450-P452 WeakPolarHBondContact O-CD 3.32Å; P452-G454 VanDerWaalsContact C-N 3.28Å; P452-G454 PolarHBondContact O-N 3.49Å; P452-W458 PolarHBondContact O-NE1 3.45Å |
| 453 | G | 91.9 | Very high | 94.4 | Very high | 41 Ų | 41 | 22.1 Ų | 22.1 | 42% | 0.423 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 7.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | N457 | G453-N457 PolarHBondContact O-ND2 3.25Š|
| 454 | G | 91.3 | Very high | 94.4 | Very high | 9 Ų | 9 | 23 Ų | 23 | 9% | 0.093 | 12% | 0.118 | C | C | . | . | trans | 93.6 | 130.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P452 E456 N457 | P452-G454 VanDerWaalsContact C-N 3.28Å; P452-G454 PolarHBondContact O-N 3.49Å; G454-E456 VanDerWaalsContact C-OE2 3.24Å; G454-E456 WeakPolarHBondContact CA-OE2 3.47Å; G454-E456 PolarHBondContact O-N 3.3Å; G454-N457 PolarHBondContact O-N 2.67Å; G454-N457 VanDerWaalsContact O-N 3.07Å | ||
| 455 | A | 92.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -62.2 | -23.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | H38 N83 R448 L451 N457 W458 | H38-A455 WeakPolarHBondContact CE1-CB 3.38Å; H38-A455 VanDerWaalsContact NE2-CB 3.33Å; H38-A455 WeakPolarHBondContact NE2-CB 3.47Å; N83-A455 PolarHBondContact ND2-N 2.75Å; R448-A455 HydrophobicContact CB-CB 3.88Å; R448-A455 HydrophobicContact CG-CB 4.35Å; L451-A455 HydrophobicContact CD1-CB 4.16Å; A455-N457 PolarHBondContact O-N 2.83Å; A455-W458 PolarHBondContact O-N 2.96Å; A455-W458 VanDerWaalsContact O-N 3.13Å |
| 456 | E | 91.4 | Very high | 94.1 | Very high | 71 Ų | 71 | 23 Ų | 23 | 33% | 0.332 | 13% | 0.128 | S | C | . | . | G | 310 helix | trans | -61.5 | -21.7 | 174.7 | 67.8 | -79.5 | -172 | 0 | 0 | 112.7 | K45 K433 G454 W458 | K45-E456 WeakPolarHBondContact O-CB 3.25Å; K433-E456 VanDerWaalsContact CD-O 3.31Å; K433-E456 WeakPolarHBondContact CD-O 3.19Å; K433-E456 WeakPolarHBondContact CE-O 3.39Å; K433-E456 PolarHBondContact NZ-O 3.28Å; G454-E456 VanDerWaalsContact C-OE2 3.24Å; G454-E456 WeakPolarHBondContact CA-OE2 3.47Å; G454-E456 PolarHBondContact O-N 3.3Å; E456-W458 VanDerWaalsContact C-N 3.3Å |
| 457 | N | 92.6 | Very high | 94 | Very high | 19 Ų | 19 | 25.9 Ų | 25.9 | 10% | 0.102 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -88.4 | 3.5 | 179.3 | -62.7 | -41.6 | 0 | 0 | 0 | 113.2 | P427 K433 P434 G453 G454 A455 | P427-N457 HydrophobicContact CB-CB 4.21Å; P427-N457 HydrophobicContact CG-CB 4.1Å; K433-N457 WeakPolarHBondContact CB-O 3.46Å; P434-N457 WeakPolarHBondContact CD-O 3.23Å; G453-N457 PolarHBondContact O-ND2 3.25Å; G454-N457 PolarHBondContact O-N 2.67Å; G454-N457 VanDerWaalsContact O-N 3.07Å; A455-N457 PolarHBondContact O-N 2.83Å |
| 458 | W | 94.4 | Very high | 93.7 | Very high | 15 Ų | 15 | 29.5 Ų | 29.5 | 6% | 0.057 | 17% | 0.166 | C | C | . | . | trans | -119.5 | 147.1 | -177 | -67.7 | 84.6 | 0 | 0 | 0 | 111.8 | L424 P425 P427 P434 L436 L451 P452 A455 E456 Y516 | L424-W458 HydrophobicContact CB-CH2 3.73Å; L424-W458 HydrophobicContact CB-CZ2 4.07Å; L424-W458 HydrophobicContact CD1-CH2 3.83Å; L424-W458 HydrophobicContact CD1-CZ2 4.42Å; L424-W458 HydrophobicContact CD1-CZ3 3.95Å; L424-W458 HydrophobicContact CD2-CH2 4.17Å; L424-W458 HydrophobicContact CD2-CZ3 4.45Å; L424-W458 HydrophobicContact CG-CH2 4.14Å; P425-W458 VanDerWaalsContact O-CZ2 3.27Å; P425-W458 WeakPolarHBondContact O-CZ2 3.48Å; P427-W458 HydrophobicContact CG-CD2 4.13Å; P427-W458 VanDerWaalsContact CG-CE2 3.44Å; P427-W458 HydrophobicContact CG-CH2 4.33Å; P427-W458 HydrophobicContact CG-CZ2 3.59Å; P434-W458 HydrophobicContact CB-CE3 4.35Å; P434-W458 HydrophobicContact CB-CZ3 4.16Å; P434-W458 HydrophobicContact CG-CD2 4.18Å; P434-W458 HydrophobicContact CG-CE3 3.76Å; P434-W458 HydrophobicContact CG-CH2 4.21Å; P434-W458 HydrophobicContact CG-CZ3 3.77Å; L436-W458 HydrophobicContact CB-CE3 4.45Å; L451-W458 HydrophobicContact CB-CG 4.35Å; L451-W458 HydrophobicContact CD1-CB 3.81Å; L451-W458 HydrophobicContact CD1-CG 3.87Å; L451-W458 HydrophobicContact CD2-CD2 3.91Å; L451-W458 HydrophobicContact CD2-CE3 4.27Å; L451-W458 HydrophobicContact CD2-CG 4.05Å; L451-W458 HydrophobicContact CG-CG 4.33Å; P452-W458 PolarHBondContact O-NE1 3.45Å; A455-W458 PolarHBondContact O-N 2.96Å; A455-W458 VanDerWaalsContact O-N 3.13Å; E456-W458 VanDerWaalsContact C-N 3.3Å; W458-Y516 HydrophobicContact CH2-CD2 4.2Å; W458-Y516 AromaticContact CH2-CE2 3.95Å; W458-Y516 HydrophobicContact CH2-CE2 3.95Å; W458-Y516 AromaticContact CZ3-CD2 3.67Å; W458-Y516 HydrophobicContact CZ3-CD2 3.67Å; W458-Y516 AromaticContact CZ3-CE2 3.8Å; W458-Y516 HydrophobicContact CZ3-CE2 3.8Å | ||
| 459 | R | 93.5 | Very high | 93.5 | Very high | 111 Ų | 111 | 29.2 Ų | 29.2 | 42% | 0.419 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 143.5 | 158.8 | -66.1 | -176.8 | -70.8 | 155.5 | -2.3 | 108.1 | K433 P434 L435 L436 | K433-R459 HydrophobicContact CB-CG 4.08Å; K433-R459 PolarHBondContact O-NE 3.39Å; K433-R459 PolarHBondContact O-NH2 3.19Å; K433-R459 VanDerWaalsContact O-NH2 3.1Å; P434-R459 PolarHBondContact O-N 3.22Å; L435-R459 CarbonylContact C-O 3.59Å; L435-R459 WeakPolarHBondContact CA-O 3.46Å; L435-R459 HydrophobicContact CB-CB 4.36Å; L435-R459 HydrophobicContact CD1-CB 3.6Å; L436-R459 PolarHBondContact N-O 3.49Å |
| 460 | I | 95.1 | Very high | 93.2 | Very high | 7 Ų | 7 | 30 Ų | 30 | 4% | 0.036 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 139.5 | 174.6 | -47.5 | 177.9 | 0 | 0 | 0 | 106.7 | F49 L436 I438 F445 R448 L451 Q474 | F49-I460 HydrophobicContact CE2-CB 4.41Å; F49-I460 HydrophobicContact CE2-CD1 4.36Å; F49-I460 HydrophobicContact CE2-CG2 4.05Å; F49-I460 HydrophobicContact CZ-CB 4.12Å; F49-I460 HydrophobicContact CZ-CG2 3.82Å; L436-I460 VanDerWaalsContact O-CA 3.29Å; L436-I460 WeakPolarHBondContact O-CA 3.16Å; I438-I460 HydrophobicContact CD1-CG2 3.74Å; I438-I460 HydrophobicContact CG1-CG2 4.29Å; F445-I460 HydrophobicContact CE1-CD1 4.4Å; F445-I460 HydrophobicContact CE2-CD1 4.12Å; F445-I460 HydrophobicContact CZ-CD1 3.6Å; R448-I460 HydrophobicContact CG-CD1 3.64Å; L451-I460 HydrophobicContact CD1-CD1 3.87Å; L451-I460 HydrophobicContact CD1-CG1 4.45Å; I460-Q474 PolarHBondContact O-NE2 3Å |
| 461 | G | 94.4 | Very high | 93.1 | Very high | 5 Ų | 5 | 29.7 Ų | 29.7 | 5% | 0.052 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 162 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | L436 C437 I438 | L436-G461 PolarHBondContact O-N 3Å; C437-G461 WeakPolarHBondContact CA-O 3.14Å; I438-G461 PolarHBondContact N-O 3.11Å |
| 462 | F | 95.5 | Very high | 93.1 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.018 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 141.9 | 178.9 | -60.9 | -65.5 | 0 | 0 | 0 | 110.4 | Y31 F49 I438 W442 L471 P472 F506 I507 | Y31-F462 HydrophobicContact CE1-CZ 4.29Å; F49-F462 AromaticContact CD1-CE2 3.98Å; F49-F462 HydrophobicContact CD1-CE2 3.98Å; F49-F462 HydrophobicContact CD1-CZ 4.19Å; F49-F462 HydrophobicContact CE1-CD2 4.33Å; F49-F462 AromaticContact CE1-CE2 3.39Å; F49-F462 HydrophobicContact CE1-CE2 3.39Å; F49-F462 AromaticContact CE1-CZ 3.66Å; F49-F462 HydrophobicContact CE1-CZ 3.66Å; F49-F462 HydrophobicContact CE2-CZ 4.32Å; F49-F462 AromaticContact CZ-CE2 3.9Å; F49-F462 HydrophobicContact CZ-CE2 3.9Å; F49-F462 AromaticContact CZ-CZ 3.74Å; F49-F462 HydrophobicContact CZ-CZ 3.74Å; I438-F462 HydrophobicContact CB-CD1 4.3Å; I438-F462 VanDerWaalsContact O-CA 3.25Å; I438-F462 WeakPolarHBondContact O-CA 3.22Å; W442-F462 HydrophobicContact CB-CD1 4.09Å; W442-F462 HydrophobicContact CB-CE1 3.85Å; F462-L471 HydrophobicContact CB-CD1 4.03Å; F462-L471 HydrophobicContact CD1-CD1 4.49Å; F462-L471 HydrophobicContact CD2-CB 4.44Å; F462-L471 HydrophobicContact CD2-CD1 4.26Å; F462-L471 HydrophobicContact CG-CD1 4.01Å; F462-P472 WeakPolarHBondContact CE2-O 3.37Å; F462-F506 HydrophobicContact CB-CD1 4.14Å; F462-F506 WeakPolarHBondContact O-CA 3.37Å; F462-I507 PolarHBondContact O-N 3.44Å |
| 463 | V | 94.3 | Very high | 93 | Very high | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.018 | 16% | 0.164 | C | C | . | . | P | Polyproline II helix | trans | -103.6 | 157 | 165.2 | -63.1 | 0 | 0 | 0 | 0 | 108.9 | C437 I438 I507 E510 I517 | C437-V463 HydrophobicContact CB-CG1 3.89Å; I438-V463 PolarHBondContact O-N 3.34Å; V463-I507 HydrophobicContact CG1-CD1 4.47Å; V463-E510 HydrophobicContact CG1-CB 3.86Å; V463-I517 HydrophobicContact CG2-CD1 4.24Å |
| 464 | Q | 92.2 | Very high | 93.1 | Very high | 86 Ų | 86 | 31.3 Ų | 31.3 | 40% | 0.402 | 17% | 0.165 | S | C | . | . | P | Polyproline II helix | trans | -62.5 | 143 | -177 | -162.1 | 170.3 | 19 | 0 | 0 | 110.7 | F506 R527 | Q464-F506 HydrophobicContact CB-CD1 4.41Å; Q464-R527 HydrophobicContact CG-CB 4.35Å |
| 465 | S | 92 | Very high | 93.2 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | trans | -142 | 178.1 | 177.8 | 71 | 0 | 0 | 0 | 0 | 111.5 | F467 R527 | S465-F467 PolarHBondContact O-N 3.2Å; S465-F467 PolarHBondContact OG-N 2.82Å; S465-R527 VanDerWaalsContact O-CZ 3.26Å; S465-R527 PolarHBondContact O-NE 2.86Å; S465-R527 PolarHBondContact O-NH2 2.89Å | ||
| 466 | A | 91.5 | Very high | 93.2 | Very high | 51 Ų | 51 | 33 Ų | 33 | 42% | 0.421 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -65.2 | -21.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S468 E528 | A466-S468 PolarHBondContact O-N 3.35Å; A466-E528 HydrophobicContact CB-CG 4.47Å; A466-E528 WeakPolarHBondContact CB-OE1 3.33Å; A466-E528 PolarHBondContact N-OE1 3.28Å |
| 467 | F | 91.7 | Very high | 93 | Very high | 68 Ų | 68 | 38.9 Ų | 38.9 | 30% | 0.298 | 20% | 0.2 | S | C | . | . | trans | -66.5 | 116.4 | 173.5 | -178.2 | -103.1 | 0 | 0 | 0 | 110.3 | W442 S465 G469 L471 R527 | W442-F467 HydrophobicContact CH2-CZ 4.46Å; W442-F467 HydrophobicContact CZ2-CD1 4.11Å; W442-F467 HydrophobicContact CZ2-CD2 4.32Å; W442-F467 AromaticContact CZ2-CE1 3.77Å; W442-F467 HydrophobicContact CZ2-CE1 3.77Å; W442-F467 HydrophobicContact CZ2-CE2 4.01Å; W442-F467 HydrophobicContact CZ2-CG 4.36Å; W442-F467 AromaticContact CZ2-CZ 3.72Å; W442-F467 HydrophobicContact CZ2-CZ 3.72Å; W442-F467 AromaticContact NE1-CD1 3.64Å; W442-F467 AromaticContact NE1-CG 3.64Å; S465-F467 PolarHBondContact O-N 3.2Å; S465-F467 PolarHBondContact OG-N 2.82Å; F467-G469 WeakPolarHBondContact CE1-O 3.39Å; F467-G469 VanDerWaalsContact CZ-CA 3.49Å; F467-L471 HydrophobicContact CD1-CD2 3.67Å; F467-L471 HydrophobicContact CD1-CG 4.04Å; F467-L471 HydrophobicContact CE1-CD2 3.69Å; F467-L471 HydrophobicContact CE1-CG 4.05Å; F467-R527 PolarHBondContact O-NH2 2.84Å | ||
| 468 | S | 91.6 | Very high | 92.8 | Very high | 75 Ų | 75 | 39.4 Ų | 39.4 | 52% | 0.524 | 20% | 0.204 | S | C | . | . | trans | -112.4 | 24.1 | 178.3 | 66.1 | 0 | 0 | 0 | 0 | 112.5 | A466 E501 | A466-S468 PolarHBondContact O-N 3.35Å; S468-E501 WeakPolarHBondContact O-CB 3.23Å; S468-E501 PolarHBondContact O-N 2.81Å | ||
| 469 | G | 91.7 | Very high | 92.4 | Very high | 6 Ų | 6 | 46 Ų | 46 | 6% | 0.062 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -90.5 | -177.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | F467 L471 N499 | F467-G469 WeakPolarHBondContact CE1-O 3.39Å; F467-G469 VanDerWaalsContact CZ-CA 3.49Å; G469-L471 PolarHBondContact O-N 3.44Å; G469-N499 WeakPolarHBondContact CA-O 3.11Å |
| 470 | Q | 92.3 | Very high | 91.8 | Very high | 18 Ų | 18 | 43.7 Ų | 43.7 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | trans | -79.9 | 114.9 | -177.8 | -167.2 | 174.9 | -1.3 | 0 | 0 | 111.5 | N496 N499 V500 E502 | Q470-N496 PolarHBondContact NE2-O 3.23Å; Q470-N496 PolarHBondContact OE1-ND2 3.46Å; Q470-N496 PolarHBondContact OE1-O 3.01Å; Q470-N496 PolarHBondContact OE1-OD1 3.43Å; Q470-N499 PolarHBondContact N-OD1 3.31Å; Q470-V500 WeakPolarHBondContact CB-O 3.28Å; Q470-E502 HydrophobicContact CG-CG 4.15Å | ||
| 471 | L | 95.1 | Very high | 90.7 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 154.6 | 175.3 | -72 | 174.4 | 0 | 0 | 0 | 112.4 | W442 F462 F467 G469 G473 R505 F506 | W442-L471 HydrophobicContact CB-CD2 4.44Å; W442-L471 HydrophobicContact CD2-CD2 3.44Å; W442-L471 VanDerWaalsContact CD2-CD2 3.44Å; W442-L471 HydrophobicContact CE3-CD2 3.93Å; W442-L471 HydrophobicContact CG-CD2 3.67Å; W442-L471 HydrophobicContact CZ2-CD2 4.12Å; W442-L471 HydrophobicContact CZ3-CD2 4.45Å; F462-L471 HydrophobicContact CB-CD1 4.03Å; F462-L471 HydrophobicContact CD1-CD1 4.49Å; F462-L471 HydrophobicContact CD2-CB 4.44Å; F462-L471 HydrophobicContact CD2-CD1 4.26Å; F462-L471 HydrophobicContact CG-CD1 4.01Å; F467-L471 HydrophobicContact CD1-CD2 3.67Å; F467-L471 HydrophobicContact CD1-CG 4.04Å; F467-L471 HydrophobicContact CE1-CD2 3.69Å; F467-L471 HydrophobicContact CE1-CG 4.05Å; G469-L471 PolarHBondContact O-N 3.44Å; L471-G473 PolarHBondContact O-N 3.18Å; L471-R505 HydrophobicContact CB-CB 4.3Å; L471-R505 HydrophobicContact CB-CG 4.14Å; L471-R505 PolarHBondContact O-NE 2.91Å; L471-F506 HydrophobicContact CD1-CD1 4.38Å; L471-F506 HydrophobicContact CD1-CE1 3.5Å; L471-F506 HydrophobicContact CD1-CZ 3.94Å |
| 472 | P | 95.3 | Very high | 89.7 | Confident | 9 Ų | 9 | 51.2 Ų | 51.2 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 134.3 | 172.3 | -23.4 | 33.5 | 0 | 0 | 0 | 111.7 | Y31 F49 Q50 W442 F462 R505 | Y31-P472 HydrophobicContact CD1-CB 3.66Å; Y31-P472 HydrophobicContact CD1-CG 3.45Å; Y31-P472 VanDerWaalsContact CD1-CG 3.45Å; Y31-P472 HydrophobicContact CD2-CG 3.75Å; Y31-P472 HydrophobicContact CE1-CB 4.11Å; Y31-P472 HydrophobicContact CE1-CG 3.77Å; Y31-P472 HydrophobicContact CE2-CG 4.08Å; Y31-P472 HydrophobicContact CG-CB 4.02Å; Y31-P472 HydrophobicContact CG-CG 3.42Å; Y31-P472 VanDerWaalsContact CG-CG 3.42Å; F49-P472 HydrophobicContact CB-CB 4.06Å; F49-P472 HydrophobicContact CD1-CB 4.3Å; F49-P472 HydrophobicContact CG-CB 4.38Å; Q50-P472 CarbonylContact O-C 3.56Å; W442-P472 HydrophobicContact CZ3-CG 4.42Å; F462-P472 WeakPolarHBondContact CE2-O 3.37Å; P472-R505 WeakPolarHBondContact O-CD 3.05Å |
| 473 | G | 93.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 166.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | F49 Q50 L471 R505 | F49-G473 CarbonylContact C-O 3.59Å; F49-G473 WeakPolarHBondContact CA-O 3.44Å; F49-G473 WeakPolarHBondContact CD1-O 3.41Å; Q50-G473 PolarHBondContact N-O 2.99Å; Q50-G473 PolarHBondContact O-N 3.45Å; L471-G473 PolarHBondContact O-N 3.18Å; G473-R505 VanDerWaalsContact CA-NE 3.33Å |
| 474 | Q | 93.3 | Very high | 89.1 | Confident | 92 Ų | 92 | 54.3 Ų | 54.3 | 43% | 0.43 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 142.9 | 170.3 | -61.4 | -167.6 | 17.8 | 0 | 0 | 110 | F49 I460 A476 | F49-Q474 HydrophobicContact CD1-CG 3.8Å; F49-Q474 HydrophobicContact CE1-CG 3.61Å; I460-Q474 PolarHBondContact O-NE2 3Å; Q474-A476 PolarHBondContact O-N 3.46Å |
| 475 | F | 93.8 | Very high | 89.1 | Confident | 14 Ų | 14 | 50.7 Ų | 50.7 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -59.7 | 139.1 | 164.3 | -77.8 | -73.3 | 0 | 0 | 0 | 109.6 | P36 F39 G48 F49 Q50 T488 | P36-F475 HydrophobicContact CB-CE2 4.21Å; P36-F475 HydrophobicContact CB-CZ 4.28Å; P36-F475 HydrophobicContact CG-CE2 4.27Å; P36-F475 HydrophobicContact CG-CZ 4.45Å; F39-F475 HydrophobicContact CB-CD2 3.74Å; F39-F475 HydrophobicContact CB-CE2 3.95Å; F39-F475 HydrophobicContact CD1-CB 4.26Å; F39-F475 AromaticContact CD1-CD1 4Å; F39-F475 HydrophobicContact CD1-CD1 4Å; F39-F475 AromaticContact CD1-CD2 3.74Å; F39-F475 HydrophobicContact CD1-CD2 3.74Å; F39-F475 HydrophobicContact CD1-CE1 4.26Å; F39-F475 HydrophobicContact CD1-CE2 4.02Å; F39-F475 AromaticContact CD1-CG 3.73Å; F39-F475 HydrophobicContact CD1-CG 3.73Å; F39-F475 HydrophobicContact CD1-CZ 4.28Å; F39-F475 HydrophobicContact CD2-CB 3.69Å; F39-F475 AromaticContact CD2-CD2 3.9Å; F39-F475 HydrophobicContact CD2-CD2 3.9Å; F39-F475 AromaticContact CD2-CG 3.94Å; F39-F475 HydrophobicContact CD2-CG 3.94Å; F39-F475 HydrophobicContact CE1-CB 4.08Å; F39-F475 AromaticContact CE1-CD1 3.9Å; F39-F475 HydrophobicContact CE1-CD1 3.9Å; F39-F475 HydrophobicContact CE1-CD2 4.34Å; F39-F475 HydrophobicContact CE1-CE1 4.43Å; F39-F475 AromaticContact CE1-CG 3.86Å; F39-F475 HydrophobicContact CE1-CG 3.86Å; F39-F475 HydrophobicContact CE2-CB 3.49Å; F39-F475 VanDerWaalsContact CE2-CB 3.49Å; F39-F475 HydrophobicContact CE2-CD2 4.48Å; F39-F475 HydrophobicContact CE2-CG 4.06Å; F39-F475 HydrophobicContact CG-CB 4.08Å; F39-F475 AromaticContact CG-CD2 3.5Å; F39-F475 HydrophobicContact CG-CD2 3.5Å; F39-F475 VanDerWaalsContact CG-CD2 3.5Å; F39-F475 HydrophobicContact CG-CE2 4.02Å; F39-F475 AromaticContact CG-CG 3.79Å; F39-F475 HydrophobicContact CG-CG 3.79Å; F39-F475 HydrophobicContact CZ-CB 3.71Å; F39-F475 HydrophobicContact CZ-CD1 4.33Å; F39-F475 HydrophobicContact CZ-CG 4.03Å; G48-F475 WeakPolarHBondContact O-CD2 3.15Å; G48-F475 PolarHBondContact O-N 3.24Å; F49-F475 VanDerWaalsContact O-CE2 3.29Å; F49-F475 WeakPolarHBondContact O-CE2 3.21Å; Q50-F475 HydrophobicContact CB-CD1 4.18Å; Q50-F475 HydrophobicContact CB-CD2 3.98Å; Q50-F475 HydrophobicContact CB-CE1 3.76Å; Q50-F475 HydrophobicContact CB-CE2 3.53Å; Q50-F475 HydrophobicContact CB-CG 4.29Å; Q50-F475 HydrophobicContact CB-CZ 3.41Å; Q50-F475 VanDerWaalsContact CB-CZ 3.41Å; Q50-F475 HydrophobicContact CG-CD1 4.37Å; Q50-F475 HydrophobicContact CG-CE1 4.27Å; Q50-F475 HydrophobicContact CG-CZ 4.38Å; F475-T488 HydrophobicContact CD1-CG2 4.29Å; F475-T488 HydrophobicContact CE1-CG2 3.93Å |
| 476 | A | 90.9 | Very high | 89.1 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 26% | 0.264 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -61 | 155.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q474 S487 I490 | Q474-A476 PolarHBondContact O-N 3.46Å; A476-S487 PolarHBondContact N-OG 3.35Å; A476-S487 VanDerWaalsContact N-OG 3.13Å; A476-S487 WeakPolarHBondContact O-CB 3.39Å; A476-S487 PolarHBondContact O-OG 3.35Å; A476-I490 HydrophobicContact CB-CD1 4.27Å |
| 477 | K | 88.6 | Confident | 89.2 | Confident | 195 Ų | 195 | 49.1 Ų | 49.1 | 85% | 0.848 | 28% | 0.277 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 132.1 | 171.9 | -70.2 | -178.5 | -178.7 | 174.2 | 0 | 109.3 | ||
| 478 | P | 88.1 | Confident | 89.3 | Confident | 29 Ų | 29 | 45.9 Ų | 45.9 | 19% | 0.188 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 143.7 | 173.1 | -23.2 | 32.6 | 0 | 0 | 0 | 111.8 | F39 S480 | F39-P478 HydrophobicContact CE2-CG 4.48Å; F39-P478 HydrophobicContact CZ-CG 4.21Å; P478-S480 WeakPolarHBondContact CB-O 3.32Å; P478-S480 PolarHBondContact O-N 3.37Å |
| 479 | L | 85 | Confident | 89.4 | Confident | 155 Ų | 155 | 47.8 Ų | 47.8 | 81% | 0.812 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -65.8 | -29.4 | 177.7 | -70.4 | 174.1 | 0 | 0 | 0 | 112 | S486 | L479-S486 PolarHBondContact N-OG 3.23Š|
| 480 | S | 81.7 | Confident | 89.3 | Confident | 61 Ų | 61 | 51.2 Ų | 51.2 | 43% | 0.427 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -145.5 | 150.7 | 173.4 | 55.4 | 0 | 0 | 0 | 0 | 109.9 | P478 G482 V483 | P478-S480 WeakPolarHBondContact CB-O 3.32Å; P478-S480 PolarHBondContact O-N 3.37Å; S480-G482 PolarHBondContact O-N 2.87Å; S480-V483 PolarHBondContact O-N 3.45Å; S480-V483 VanDerWaalsContact O-N 3.13Å; S480-V483 WeakPolarHBondContact OG-CG2 3.45Å |
| 481 | N | 71.4 | Confident | 88.6 | Confident | 136 Ų | 136 | 53 Ų | 53 | 73% | 0.727 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 127.5 | 178.7 | -73 | -19.5 | 0 | 0 | 0 | 110.4 | ||
| 482 | G | 74.2 | Confident | 87 | Confident | 35 Ų | 35 | 55 Ų | 55 | 36% | 0.361 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.4 | -20.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114.9 | S480 V484 | S480-G482 PolarHBondContact O-N 2.87Å; G482-V484 VanDerWaalsContact C-N 3.3Å; G482-V484 PolarHBondContact O-N 3.38Å; G482-V484 VanDerWaalsContact O-N 3.13Å |
| 483 | V | 86.1 | Confident | 85.6 | Confident | 62 Ų | 62 | 54.9 Ų | 54.9 | 38% | 0.376 | 31% | 0.306 | S | S | . | . | trans | -92.9 | 64.1 | 179.4 | -169.5 | 0 | 0 | 0 | 0 | 110.1 | S480 S485 S486 | S480-V483 PolarHBondContact O-N 3.45Å; S480-V483 VanDerWaalsContact O-N 3.13Å; S480-V483 WeakPolarHBondContact OG-CG2 3.45Å; V483-S485 WeakPolarHBondContact CG1-OG 3.31Å; V483-S485 PolarHBondContact O-N 3.3Å; V483-S485 VanDerWaalsContact O-N 3.12Å; V483-S486 PolarHBondContact O-N 2.95Å; V483-S486 VanDerWaalsContact O-N 3.08Å; V483-S486 PolarHBondContact O-OG 3.2Å; V483-S486 VanDerWaalsContact O-OG 3.12Å | ||
| 484 | V | 91.9 | Very high | 85 | Confident | 9 Ų | 9 | 61.5 Ų | 61.5 | 6% | 0.055 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -26.5 | 178.1 | -69.2 | 0 | 0 | 0 | 0 | 112.6 | F39 Y236 G482 S486 S487 T488 | F39-V484 HydrophobicContact CE1-CB 3.96Å; F39-V484 HydrophobicContact CE1-CG1 4.14Å; F39-V484 HydrophobicContact CZ-CB 4.45Å; F39-V484 HydrophobicContact CZ-CG1 4.38Å; Y236-V484 HydrophobicContact CE1-CG2 3.84Å; G482-V484 VanDerWaalsContact C-N 3.3Å; G482-V484 PolarHBondContact O-N 3.38Å; G482-V484 VanDerWaalsContact O-N 3.13Å; V484-S486 PolarHBondContact O-N 3.39Å; V484-S487 WeakPolarHBondContact O-CB 3.4Å; V484-S487 PolarHBondContact O-N 2.87Å; V484-T488 PolarHBondContact O-N 2.93Å; V484-T488 VanDerWaalsContact O-N 3.11Å |
| 485 | S | 91.8 | Very high | 84.9 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 8% | 0.077 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.6 | -25.2 | 177 | 60.8 | 0 | 0 | 0 | 0 | 113.4 | V483 S487 T488 R489 | V483-S485 WeakPolarHBondContact CG1-OG 3.31Å; V483-S485 PolarHBondContact O-N 3.3Å; V483-S485 VanDerWaalsContact O-N 3.12Å; S485-S487 PolarHBondContact O-N 3.03Å; S485-T488 WeakPolarHBondContact CA-OG1 3.37Å; S485-R489 WeakPolarHBondContact O-CB 3.48Å; S485-R489 WeakPolarHBondContact O-CD 3.35Å; S485-R489 WeakPolarHBondContact O-CG 3.35Å; S485-R489 PolarHBondContact O-N 3.46Å |
| 486 | S | 92.2 | Very high | 84.7 | Confident | 19 Ų | 19 | 58.9 Ų | 58.9 | 13% | 0.133 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -69.2 | -24.5 | 175.5 | 75.4 | 0 | 0 | 0 | 0 | 112.1 | L479 V483 V484 I490 | L479-S486 PolarHBondContact N-OG 3.23Å; V483-S486 PolarHBondContact O-N 2.95Å; V483-S486 VanDerWaalsContact O-N 3.08Å; V483-S486 PolarHBondContact O-OG 3.2Å; V483-S486 VanDerWaalsContact O-OG 3.12Å; V484-S486 PolarHBondContact O-N 3.39Å; S486-I490 WeakPolarHBondContact O-CD1 3.25Å; S486-I490 VanDerWaalsContact O-CG1 3.29Å; S486-I490 WeakPolarHBondContact O-CG1 3.37Å |
| 487 | S | 93 | Very high | 84.4 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -89.9 | -46 | 179.6 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | F39 A476 V484 S485 R489 I490 | F39-S487 WeakPolarHBondContact CZ-OG 3.33Å; A476-S487 PolarHBondContact N-OG 3.35Å; A476-S487 VanDerWaalsContact N-OG 3.13Å; A476-S487 WeakPolarHBondContact O-CB 3.39Å; A476-S487 PolarHBondContact O-OG 3.35Å; V484-S487 WeakPolarHBondContact O-CB 3.4Å; V484-S487 PolarHBondContact O-N 2.87Å; S485-S487 PolarHBondContact O-N 3.03Å; S487-R489 PolarHBondContact O-N 3.38Å; S487-I490 PolarHBondContact O-N 3Å |
| 488 | T | 94.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.3 | -13.5 | -179.4 | 61.3 | 0 | 0 | 0 | 0 | 113.7 | F39 P56 Y63 Y236 F475 V484 S485 | F39-T488 HydrophobicContact CD1-CG2 4.42Å; F39-T488 HydrophobicContact CE1-CG2 3.91Å; P56-T488 WeakPolarHBondContact CD-O 3.39Å; P56-T488 WeakPolarHBondContact CG-O 3.3Å; Y63-T488 HydrophobicContact CE1-CG2 4.14Å; Y63-T488 WeakPolarHBondContact OH-CB 3.47Å; Y63-T488 WeakPolarHBondContact OH-CG2 3.28Å; Y236-T488 HydrophobicContact CD1-CG2 4Å; Y236-T488 CarbonylContact O-C 3.41Å; Y236-T488 WeakPolarHBondContact O-CB 3.28Å; Y236-T488 PolarHBondContact O-OG1 3.5Å; F475-T488 HydrophobicContact CD1-CG2 4.29Å; F475-T488 HydrophobicContact CE1-CG2 3.93Å; V484-T488 PolarHBondContact O-N 2.93Å; V484-T488 VanDerWaalsContact O-N 3.11Å; S485-T488 WeakPolarHBondContact CA-OG1 3.37Å |
| 489 | R | 93.4 | Very high | 84.4 | Confident | 114 Ų | 114 | 55.8 Ų | 55.8 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 0.1 | 176.6 | -69.5 | 177.2 | -171.4 | 176.1 | 4.8 | 114.1 | F235 Y236 S485 S487 | F235-R489 PolarHBondContact O-NE 3.24Å; F235-R489 PolarHBondContact O-NH2 3.49Å; Y236-R489 VanDerWaalsContact O-CG 3.23Å; Y236-R489 WeakPolarHBondContact O-CG 3.3Å; S485-R489 WeakPolarHBondContact O-CB 3.48Å; S485-R489 WeakPolarHBondContact O-CD 3.35Å; S485-R489 WeakPolarHBondContact O-CG 3.35Å; S485-R489 PolarHBondContact O-N 3.46Å; S487-R489 PolarHBondContact O-N 3.38Å |
| 490 | I | 88.8 | Confident | 84.7 | Confident | 79 Ų | 79 | 52 Ų | 52 | 41% | 0.405 | 30% | 0.295 | S | S | . | . | trans | -109 | 128.2 | -178 | -50.5 | 174.5 | 0 | 0 | 0 | 108.8 | A476 S486 S487 G492 | A476-I490 HydrophobicContact CB-CD1 4.27Å; S486-I490 WeakPolarHBondContact O-CD1 3.25Å; S486-I490 VanDerWaalsContact O-CG1 3.29Å; S486-I490 WeakPolarHBondContact O-CG1 3.37Å; S487-I490 PolarHBondContact O-N 3Å; I490-G492 PolarHBondContact O-N 2.9Å | ||
| 491 | D | 78.7 | Confident | 85.2 | Confident | 55 Ų | 55 | 51 Ų | 51 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | trans | -75.8 | 51.4 | 164.5 | -70.4 | -34.2 | 0 | 0 | 0 | 110.3 | S55 P56 S57 S493 H494 | S55-D491 VanDerWaalsContact CB-OD1 3.27Å; S55-D491 WeakPolarHBondContact CB-OD1 3.46Å; S55-D491 PolarHBondContact OG-OD1 2.96Å; P56-D491 WeakPolarHBondContact CD-OD1 3.38Å; S57-D491 WeakPolarHBondContact CB-OD2 3.46Å; S57-D491 PolarHBondContact N-OD1 3.04Å; S57-D491 PolarHBondContact OG-OD2 3.46Å; D491-S493 PolarHBondContact O-N 2.9Å; D491-H494 PolarHBondContact O-N 2.72Å | ||
| 492 | G | 61.5 | Low | 86.2 | Confident | 48 Ų | 48 | 46.5 Ų | 46.5 | 50% | 0.495 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | 8.4 | -161.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | I490 | I490-G492 PolarHBondContact O-N 2.9Š|
| 493 | S | 66.2 | Low | 87 | Confident | 6 Ų | 6 | 51 Ų | 51 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -147.4 | 22.8 | -167.4 | 68.3 | 0 | 0 | 0 | 0 | 111.8 | D491 F495 R505 | D491-S493 PolarHBondContact O-N 2.9Å; S493-F495 PolarHBondContact O-N 2.89Å; S493-F495 WeakPolarHBondContact OG-CD2 3.45Å; S493-F495 WeakPolarHBondContact OG-CE2 3.38Å; S493-F495 WeakPolarHBondContact OG-CZ 3.44Å; S493-R505 PolarHBondContact O-NH1 3.45Å; S493-R505 PolarHBondContact O-NH2 3.19Å; S493-R505 PolarHBondContact OG-NH2 3.44Å |
| 494 | H | 81.1 | Confident | 87.2 | Confident | 140 Ų | 140 | 52 Ų | 52 | 65% | 0.648 | 28% | 0.276 | S | S | * | . | trans | 45.2 | 71.9 | 173.9 | -62.2 | -72.8 | 0 | 0 | 0 | 113.7 | D491 E502 | D491-H494 PolarHBondContact O-N 2.72Å; H494-E502 WeakPolarHBondContact O-CG 3.33Å; H494-E502 VanDerWaalsContact O-OE1 3.09Å | ||
| 495 | F | 90.3 | Very high | 87.1 | Confident | 24 Ų | 24 | 52.6 Ų | 52.6 | 11% | 0.105 | 28% | 0.277 | C | S | . | . | trans | -84.4 | 135 | 177.1 | -68 | -75.6 | 0 | 0 | 0 | 111.8 | Q50 W52 F58 S493 | Q50-F495 HydrophobicContact CG-CE2 3.88Å; Q50-F495 HydrophobicContact CG-CZ 3.57Å; Q50-F495 WeakPolarHBondContact O-CZ 3.3Å; W52-F495 VanDerWaalsContact CA-CD1 3.4Å; W52-F495 HydrophobicContact CB-CB 3.61Å; W52-F495 HydrophobicContact CB-CD1 3.48Å; W52-F495 VanDerWaalsContact CB-CD1 3.48Å; W52-F495 HydrophobicContact CB-CE1 4.3Å; W52-F495 HydrophobicContact CB-CG 3.69Å; F58-F495 HydrophobicContact CE2-CB 4.04Å; S493-F495 PolarHBondContact O-N 2.89Å; S493-F495 WeakPolarHBondContact OG-CD2 3.45Å; S493-F495 WeakPolarHBondContact OG-CE2 3.38Å; S493-F495 WeakPolarHBondContact OG-CZ 3.44Å | ||
| 496 | N | 89.1 | Confident | 87.2 | Confident | 26 Ų | 26 | 53.4 Ų | 53.4 | 14% | 0.139 | 28% | 0.279 | C | S | . | . | trans | -105.1 | 166.6 | 167.5 | 72.1 | 84.2 | 0 | 0 | 0 | 111.7 | Q470 E498 N499 V500 E502 | Q470-N496 PolarHBondContact NE2-O 3.23Å; Q470-N496 PolarHBondContact OE1-ND2 3.46Å; Q470-N496 PolarHBondContact OE1-O 3.01Å; Q470-N496 PolarHBondContact OE1-OD1 3.43Å; N496-E498 WeakPolarHBondContact OD1-CA 3.35Å; N496-E498 PolarHBondContact OD1-N 3.03Å; N496-N499 PolarHBondContact OD1-N 2.91Å; N496-V500 PolarHBondContact ND2-O 2.95Å; N496-V500 PolarHBondContact OD1-N 3.39Å; N496-E502 PolarHBondContact ND2-OE1 3.34Å | ||
| 497 | S | 84.8 | Confident | 87.1 | Confident | 43 Ų | 43 | 53.9 Ų | 53.9 | 30% | 0.301 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -102.8 | 4.7 | 176 | 57.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 498 | E | 86.9 | Confident | 86.6 | Confident | 115 Ų | 115 | 60 Ų | 60 | 54% | 0.537 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -106.3 | 9.5 | -171.8 | -64 | -175.8 | 172 | 0 | 0 | 111.9 | L266 N496 V500 | L266-E498 WeakPolarHBondContact CD2-O 3.3Å; N496-E498 WeakPolarHBondContact OD1-CA 3.35Å; N496-E498 PolarHBondContact OD1-N 3.03Å; E498-V500 HydrophobicContact CB-CG2 3.86Å; E498-V500 PolarHBondContact O-N 3.46Å |
| 499 | N | 90.3 | Very high | 86 | Confident | 34 Ų | 34 | 64 Ų | 64 | 18% | 0.182 | 34% | 0.339 | C | S | . | . | trans | 52.7 | 36 | -177.1 | -169.9 | 32.7 | 0 | 0 | 0 | 112.7 | L266 Y267 G469 Q470 N496 | L266-N499 HydrophobicContact CD2-CB 3.89Å; Y267-N499 HydrophobicContact CE1-CB 4.1Å; G469-N499 WeakPolarHBondContact CA-O 3.11Å; Q470-N499 PolarHBondContact N-OD1 3.31Å; N496-N499 PolarHBondContact OD1-N 2.91Å | ||
| 500 | V | 90.7 | Very high | 85.2 | Confident | 76 Ų | 76 | 60.5 Ų | 60.5 | 46% | 0.461 | 33% | 0.327 | S | S | . | . | trans | -83.2 | 142 | 177.5 | 179 | 0 | 0 | 0 | 0 | 109.6 | Q470 N496 E498 E502 | Q470-V500 WeakPolarHBondContact CB-O 3.28Å; N496-V500 PolarHBondContact ND2-O 2.95Å; N496-V500 PolarHBondContact OD1-N 3.39Å; E498-V500 HydrophobicContact CB-CG2 3.86Å; E498-V500 PolarHBondContact O-N 3.46Å; V500-E502 PolarHBondContact O-N 3.16Å | ||
| 501 | E | 92.8 | Very high | 84.5 | Confident | 39 Ų | 39 | 60.1 Ų | 60.1 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | trans | -55.6 | 127.9 | 175 | -174.7 | 167.5 | -117.8 | 0 | 0 | 111.8 | S468 F506 R527 | S468-E501 WeakPolarHBondContact O-CB 3.23Å; S468-E501 PolarHBondContact O-N 2.81Å; E501-F506 HydrophobicContact CG-CE2 3.95Å; E501-F506 HydrophobicContact CG-CZ 4.31Å; E501-F506 WeakPolarHBondContact OE1-CZ 3.38Å; E501-R527 IonicContact OE1-CZ 2.98Å; E501-R527 VanDerWaalsContact OE1-CZ 3.3Å; E501-R527 IonicContact OE1-NH1 3.47Å; E501-R527 PolarHBondContact OE1-NH1 3.02Å; E501-R527 VanDerWaalsContact OE1-NH1 3.07Å; E501-R527 IonicContact OE1-NH2 2.79Å; E501-R527 PolarHBondContact OE1-NH2 3.16Å; E501-R527 IonicContact OE2-CZ 3.17Å; E501-R527 IonicContact OE2-NH1 2.68Å; E501-R527 PolarHBondContact OE2-NH1 3.48Å; E501-R527 IonicContact OE2-NH2 2.74Å | ||
| 502 | E | 92.7 | Very high | 84.5 | Confident | 42 Ų | 42 | 62.7 Ų | 62.7 | 20% | 0.196 | 35% | 0.345 | C | S | . | . | trans | -104.9 | 112.5 | 172.7 | -65.8 | -64.6 | 166.7 | 0 | 0 | 108.7 | Q470 H494 N496 V500 D504 R505 | Q470-E502 HydrophobicContact CG-CG 4.15Å; H494-E502 WeakPolarHBondContact O-CG 3.33Å; H494-E502 VanDerWaalsContact O-OE1 3.09Å; N496-E502 PolarHBondContact ND2-OE1 3.34Å; V500-E502 PolarHBondContact O-N 3.16Å; E502-D504 VanDerWaalsContact C-N 3.26Å; E502-D504 WeakPolarHBondContact CB-OD1 3.36Å; E502-D504 PolarHBondContact O-N 3.5Å; E502-R505 HydrophobicContact CB-CG 3.98Å; E502-R505 WeakPolarHBondContact O-CB 3.31Å; E502-R505 WeakPolarHBondContact O-CG 3.08Å; E502-R505 PolarHBondContact O-N 2.89Å | ||
| 503 | I | 90.2 | Very high | 85.7 | Confident | 130 Ų | 130 | 64.1 Ų | 64.1 | 67% | 0.667 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -71.2 | -23.9 | -170.7 | -56.4 | 171.1 | 0 | 0 | 0 | 111.6 | R505 F506 | I503-R505 PolarHBondContact O-N 3.43Å; I503-R505 VanDerWaalsContact O-N 3.09Å; I503-F506 PolarHBondContact O-N 3.15Å |
| 504 | D | 89.8 | Confident | 87 | Confident | 83 Ų | 83 | 64 Ų | 64 | 44% | 0.444 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -64.8 | -9.9 | 176.9 | 74.9 | -26.5 | 0 | 0 | 0 | 113.7 | E502 F506 | E502-D504 VanDerWaalsContact C-N 3.26Å; E502-D504 WeakPolarHBondContact CB-OD1 3.36Å; E502-D504 PolarHBondContact O-N 3.5Å; D504-F506 VanDerWaalsContact C-N 3.34Å |
| 505 | R | 91.1 | Very high | 87.6 | Confident | 21 Ų | 21 | 58 Ų | 58 | 8% | 0.079 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -74.2 | -24.6 | 176.8 | -62.5 | -66.4 | -176.9 | -91.5 | 2.1 | 113.5 | L471 P472 G473 S493 E502 I503 | L471-R505 HydrophobicContact CB-CB 4.3Å; L471-R505 HydrophobicContact CB-CG 4.14Å; L471-R505 PolarHBondContact O-NE 2.91Å; P472-R505 WeakPolarHBondContact O-CD 3.05Å; G473-R505 VanDerWaalsContact CA-NE 3.33Å; S493-R505 PolarHBondContact O-NH1 3.45Å; S493-R505 PolarHBondContact O-NH2 3.19Å; S493-R505 PolarHBondContact OG-NH2 3.44Å; E502-R505 HydrophobicContact CB-CG 3.98Å; E502-R505 WeakPolarHBondContact O-CB 3.31Å; E502-R505 WeakPolarHBondContact O-CG 3.08Å; E502-R505 PolarHBondContact O-N 2.89Å; I503-R505 PolarHBondContact O-N 3.43Å; I503-R505 VanDerWaalsContact O-N 3.09Å |
| 506 | F | 92.7 | Very high | 87.8 | Confident | 27 Ų | 27 | 57.9 Ų | 57.9 | 12% | 0.118 | 31% | 0.31 | C | S | . | . | B | Isolated β-bridge | trans | -92.1 | 142.6 | -172.3 | -55.4 | -64.4 | 0 | 0 | 0 | 111.7 | F462 Q464 L471 E501 I503 D504 | F462-F506 HydrophobicContact CB-CD1 4.14Å; F462-F506 WeakPolarHBondContact O-CA 3.37Å; Q464-F506 HydrophobicContact CB-CD1 4.41Å; L471-F506 HydrophobicContact CD1-CD1 4.38Å; L471-F506 HydrophobicContact CD1-CE1 3.5Å; L471-F506 HydrophobicContact CD1-CZ 3.94Å; E501-F506 HydrophobicContact CG-CE2 3.95Å; E501-F506 HydrophobicContact CG-CZ 4.31Å; E501-F506 WeakPolarHBondContact OE1-CZ 3.38Å; I503-F506 PolarHBondContact O-N 3.15Å; D504-F506 VanDerWaalsContact C-N 3.34Å |
| 507 | I | 91.4 | Very high | 88.1 | Confident | 30 Ų | 30 | 56.6 Ų | 56.6 | 15% | 0.154 | 30% | 0.304 | C | S | . | . | trans | -68.9 | 130.9 | 169 | -59.8 | 151.9 | 0 | 0 | 0 | 108.1 | L435 C437 F462 V463 E513 | L435-I507 HydrophobicContact CD1-CD1 4.26Å; L435-I507 HydrophobicContact CD2-CD1 3.76Å; L435-I507 HydrophobicContact CD2-CG1 4.43Å; L435-I507 HydrophobicContact CD2-CG2 4.49Å; L435-I507 HydrophobicContact CG-CD1 4.27Å; C437-I507 WeakPolarHBondContact SG-CD1 3.28Å; F462-I507 PolarHBondContact O-N 3.44Å; V463-I507 HydrophobicContact CG1-CD1 4.47Å; I507-E513 HydrophobicContact CG2-CB 4.38Å | ||
| 508 | T | 82.9 | Confident | 88.6 | Confident | 127 Ų | 127 | 55.3 Ų | 55.3 | 78% | 0.779 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -32.6 | -176.3 | 51.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 509 | N | 80.6 | Confident | 88.9 | Confident | 85 Ų | 85 | 50 Ų | 50 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 65.9 | -177.2 | -75.6 | -28.4 | 0 | 0 | 0 | 112.3 | S511 N512 E513 | N509-S511 VanDerWaalsContact C-N 3.31Å; N509-S511 PolarHBondContact O-N 3.09Å; N509-N512 PolarHBondContact O-N 3Å; N509-E513 HydrophobicContact CB-CG 4.09Å; N509-E513 PolarHBondContact O-N 2.91Å; N509-E513 VanDerWaalsContact O-N 3.08Å |
| 510 | E | 77.5 | Confident | 89 | Confident | 41 Ų | 41 | 50.6 Ų | 50.6 | 19% | 0.192 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -52.7 | -42.7 | -178.5 | 58.9 | 178.4 | -166.3 | 0 | 0 | 113.8 | V463 N512 C514 K529 Y531 | V463-E510 HydrophobicContact CG1-CB 3.86Å; E510-N512 VanDerWaalsContact C-N 3.28Å; E510-N512 PolarHBondContact O-N 2.88Å; E510-C514 WeakPolarHBondContact O-CB 3.42Å; E510-C514 PolarHBondContact O-SG 3.38Å; E510-K529 VanDerWaalsContact OE1-CE 3.3Å; E510-K529 WeakPolarHBondContact OE1-CE 3.41Å; E510-K529 IonicContact OE1-NZ 2.96Å; E510-K529 PolarHBondContact OE1-NZ 3.42Å; E510-Y531 PolarHBondContact OE2-OH 2.92Å; E510-Y531 VanDerWaalsContact OE2-OH 3.11Å |
| 511 | S | 72.3 | Confident | 89 | Confident | 71 Ų | 71 | 50.3 Ų | 50.3 | 50% | 0.497 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -70.9 | -24.4 | -174 | 63.8 | 0 | 0 | 0 | 0 | 113.4 | N509 R593 | N509-S511 VanDerWaalsContact C-N 3.31Å; N509-S511 PolarHBondContact O-N 3.09Å; S511-R593 PolarHBondContact O-NH1 2.92Å |
| 512 | N | 78.8 | Confident | 88.8 | Confident | 108 Ų | 108 | 48.7 Ų | 48.7 | 58% | 0.578 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -106.6 | -29.2 | -171.3 | -71.8 | -7 | 0 | 0 | 0 | 113 | N509 E510 R593 | N509-N512 PolarHBondContact O-N 3Å; E510-N512 VanDerWaalsContact C-N 3.28Å; E510-N512 PolarHBondContact O-N 2.88Å; N512-R593 VanDerWaalsContact C-NH1 3.29Å; N512-R593 VanDerWaalsContact CA-NH1 3.35Å; N512-R593 PolarHBondContact O-NH1 3.45Å |
| 513 | E | 87 | Confident | 88.6 | Confident | 78 Ų | 78 | 51.7 Ų | 51.7 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -97.6 | -28.7 | -172.5 | -65.6 | -174.4 | -164.1 | 0 | 0 | 114.4 | L435 I507 N509 T515 | L435-E513 HydrophobicContact CD2-CB 3.78Å; I507-E513 HydrophobicContact CG2-CB 4.38Å; N509-E513 HydrophobicContact CB-CG 4.09Å; N509-E513 PolarHBondContact O-N 2.91Å; N509-E513 VanDerWaalsContact O-N 3.08Å; E513-T515 PolarHBondContact O-N 3.02Å |
| 514 | C | 93.3 | Very high | 88.5 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.02 | 27% | 0.266 | C | S | . | . | trans | -65.5 | 123.6 | -177.5 | -64.3 | 0 | 0 | 0 | 0 | 110.8 | C437 E510 W538 | C437-C514 HydrophobicContact CB-CB 3.8Å; C437-C514 WeakPolarHBondContact CB-SG 3.42Å; C437-C514 VanDerWaalsContact SG-CA 3.53Å; C437-C514 WeakPolarHBondContact SG-CB 3.42Å; C437-C514 CovalentContact SG-SG 2.02Å; C437-C514 PolarHBondContact SG-SG 3.21Å; E510-C514 WeakPolarHBondContact O-CB 3.42Å; E510-C514 PolarHBondContact O-SG 3.38Å; C514-W538 HydrophobicContact CB-CH2 3.76Å; C514-W538 HydrophobicContact CB-CZ2 4.33Å; C514-W538 WeakPolarHBondContact O-CH2 3.44Å | ||
| 515 | T | 93.7 | Very high | 88.4 | Confident | 15 Ų | 15 | 45.6 Ų | 45.6 | 9% | 0.092 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -88.3 | -45.4 | 174.3 | -49.4 | 0 | 0 | 0 | 0 | 110.2 | P434 L435 E513 R593 N596 | P434-T515 HydrophobicContact CB-CG2 3.68Å; L435-T515 PolarHBondContact N-OG1 3.34Å; L435-T515 WeakPolarHBondContact O-CB 3.42Å; L435-T515 PolarHBondContact O-N 3.23Å; E513-T515 PolarHBondContact O-N 3.02Å; T515-R593 PolarHBondContact O-N 3.46Å; T515-N596 WeakPolarHBondContact CG2-ND2 3.2Å; T515-N596 PolarHBondContact O-ND2 2.72Å |
| 516 | Y | 95.3 | Very high | 88.2 | Confident | 21 Ų | 21 | 51.8 Ų | 51.8 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 148 | 175.3 | -57.4 | -78.3 | 0 | 0 | 0 | 109.2 | L424 P425 P434 L435 C437 W458 L541 L591 A592 | L424-Y516 HydrophobicContact CD2-CD1 3.67Å; L424-Y516 HydrophobicContact CD2-CD2 4.04Å; L424-Y516 HydrophobicContact CD2-CE1 4.1Å; L424-Y516 HydrophobicContact CD2-CE2 4.41Å; L424-Y516 HydrophobicContact CD2-CG 3.66Å; P425-Y516 HydrophobicContact CG-CE1 4.22Å; P425-Y516 WeakPolarHBondContact CG-OH 3.46Å; P434-Y516 HydrophobicContact CB-CD2 4.22Å; P434-Y516 HydrophobicContact CB-CE2 3.85Å; P434-Y516 HydrophobicContact CG-CE2 4.48Å; L435-Y516 PolarHBondContact O-N 3Å; C437-Y516 PolarHBondContact N-O 3.12Å; W458-Y516 HydrophobicContact CH2-CD2 4.2Å; W458-Y516 AromaticContact CH2-CE2 3.95Å; W458-Y516 HydrophobicContact CH2-CE2 3.95Å; W458-Y516 AromaticContact CZ3-CD2 3.67Å; W458-Y516 HydrophobicContact CZ3-CD2 3.67Å; W458-Y516 AromaticContact CZ3-CE2 3.8Å; W458-Y516 HydrophobicContact CZ3-CE2 3.8Å; Y516-L541 HydrophobicContact CE1-CD2 4.29Å; Y516-L591 CarbonylContact C-O 3.39Å; Y516-L591 WeakPolarHBondContact CA-O 3.47Å; Y516-A592 HydrophobicContact CD1-CB 3.74Å; Y516-A592 HydrophobicContact CE1-CB 3.67Å |
| 517 | I | 95.1 | Very high | 88 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 134.8 | 175.6 | -169.9 | 160.4 | 0 | 0 | 0 | 111.2 | C437 V463 Y531 W538 L591 | C437-I517 HydrophobicContact CB-CB 4.18Å; C437-I517 HydrophobicContact CB-CD1 4.04Å; C437-I517 HydrophobicContact CB-CG1 3.97Å; C437-I517 WeakPolarHBondContact O-CA 3.42Å; V463-I517 HydrophobicContact CG2-CD1 4.24Å; I517-Y531 HydrophobicContact CD1-CD1 3.93Å; I517-Y531 HydrophobicContact CD1-CD2 3.61Å; I517-Y531 HydrophobicContact CD1-CE1 3.73Å; I517-Y531 HydrophobicContact CD1-CE2 3.4Å; I517-Y531 VanDerWaalsContact CD1-CE2 3.4Å; I517-Y531 HydrophobicContact CD1-CG 3.87Å; I517-Y531 VanDerWaalsContact CD1-CZ 3.45Å; I517-Y531 HydrophobicContact CG1-CD2 4.36Å; I517-Y531 HydrophobicContact CG1-CE2 4.48Å; I517-Y531 HydrophobicContact CG2-CG 4.34Å; I517-W538 HydrophobicContact CB-CH2 4.35Å; I517-W538 HydrophobicContact CB-CZ3 4.39Å; I517-W538 HydrophobicContact CG2-CD2 3.98Å; I517-W538 HydrophobicContact CG2-CE3 3.78Å; I517-W538 HydrophobicContact CG2-CH2 3.91Å; I517-W538 HydrophobicContact CG2-CZ2 4.11Å; I517-W538 HydrophobicContact CG2-CZ3 3.73Å; I517-L591 HydrophobicContact CG2-CB 3.71Å; I517-L591 HydrophobicContact CG2-CD1 4.04Å; I517-L591 HydrophobicContact CG2-CG 4.38Å; I517-L591 PolarHBondContact N-O 3.38Å; I517-L591 PolarHBondContact O-N 3.05Å |
| 518 | L | 95.1 | Very high | 88 | Confident | 15 Ų | 15 | 54.5 Ų | 54.5 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 120.4 | 171.3 | -176.2 | 71.1 | 0 | 0 | 0 | 109.1 | L420 C437 I438 D441 L588 M590 | L420-L518 HydrophobicContact CD1-CD1 3.69Å; C437-L518 PolarHBondContact O-N 2.91Å; C437-L518 VanDerWaalsContact O-N 3.12Å; I438-L518 HydrophobicContact CG2-CD2 4.26Å; D441-L518 HydrophobicContact CB-CD2 4.11Å; L518-L588 HydrophobicContact CD1-CD1 4.03Å; L518-L588 HydrophobicContact CD1-CD2 4.05Å; L518-L588 HydrophobicContact CD1-CG 3.84Å; L518-L588 HydrophobicContact CG-CD1 4.25Å; L518-M590 HydrophobicContact CD1-CE 4.13Å |
| 519 | D | 94.4 | Very high | 88.4 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 166.5 | 175.8 | -167.1 | 19 | 0 | 0 | 0 | 111.2 | R440 Y531 V532 H589 L591 | R440-D519 IonicContact CZ-OD1 3.32Å; R440-D519 IonicContact NE-OD1 3.35Å; R440-D519 PolarHBondContact NE-OD1 3.26Å; R440-D519 IonicContact NH2-OD1 2.88Å; R440-D519 PolarHBondContact NH2-OD1 3.27Å; D519-Y531 HydrophobicContact CB-CD2 4.44Å; D519-Y531 WeakPolarHBondContact OD2-CA 3.49Å; D519-Y531 WeakPolarHBondContact OD2-CB 3.26Å; D519-Y531 PolarHBondContact OD2-N 3.46Å; D519-V532 HydrophobicContact CB-CG2 3.98Å; D519-V532 PolarHBondContact OD2-N 3Å; D519-H589 PolarHBondContact N-O 3.49Å; D519-H589 PolarHBondContact O-N 3.47Å; D519-L591 HydrophobicContact CB-CD1 4.08Å |
| 520 | R | 92 | Very high | 88.9 | Confident | 47 Ų | 47 | 52.6 Ų | 52.6 | 18% | 0.177 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 154.8 | -179 | 64.5 | -175.3 | -163.7 | -161.2 | 9.7 | 112.4 | R440 D441 S522 L530 E548 I586 Y587 L588 | R440-R520 VanDerWaalsContact CZ-CG 3.45Å; R440-R520 PolarHBondContact NH2-O 2.9Å; D441-R520 IonicContact OD1-CZ 3.54Å; D441-R520 IonicContact OD1-NE 2.92Å; D441-R520 IonicContact OD1-NH1 3.2Å; D441-R520 PolarHBondContact OD1-NH1 2.91Å; D441-R520 VanDerWaalsContact OD2-CD 3.3Å; D441-R520 WeakPolarHBondContact OD2-CD 3.43Å; D441-R520 IonicContact OD2-NE 3.87Å; D441-R520 IonicContact OD2-NH1 3.44Å; R520-S522 PolarHBondContact NE-OG 3.49Å; R520-S522 PolarHBondContact O-N 2.95Å; R520-L530 WeakPolarHBondContact O-CD1 3.43Å; R520-E548 IonicContact CZ-OE1 3.39Å; R520-E548 IonicContact NE-OE1 3.19Å; R520-E548 IonicContact NH2-OE1 2.74Å; R520-E548 PolarHBondContact NH2-OE1 2.85Å; R520-I586 HydrophobicContact CB-CD1 4.16Å; R520-I586 HydrophobicContact CG-CD1 4.26Å; R520-Y587 CarbonylContact C-O 3.56Å; R520-Y587 VanDerWaalsContact CA-O 3.25Å; R520-Y587 WeakPolarHBondContact CA-O 3.14Å; R520-L588 HydrophobicContact CB-CD1 3.8Å |
| 521 | D | 90.5 | Very high | 89.7 | Confident | 69 Ų | 69 | 51.7 Ų | 51.7 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -80.6 | 56.5 | 178 | -71 | -7.4 | 0 | 0 | 0 | 112 | V532 Y587 H589 | D521-V532 WeakPolarHBondContact OD1-CB 3.41Å; D521-V532 WeakPolarHBondContact OD1-CG1 3.45Å; D521-V532 WeakPolarHBondContact OD1-CG2 3.45Å; D521-Y587 PolarHBondContact N-O 3.18Å; D521-H589 VanDerWaalsContact CG-NE2 3.31Å; D521-H589 IonicContact OD1-CD2 2.96Å; D521-H589 PolarHBondContact OD1-CD2 3.37Å; D521-H589 IonicContact OD1-NE2 2.82Å; D521-H589 PolarHBondContact OD1-NE2 3.2Å; D521-H589 IonicContact OD2-CD2 3.83Å; D521-H589 IonicContact OD2-CE1 2.93Å; D521-H589 IonicContact OD2-NE2 2.65Å; D521-H589 PolarHBondContact OD2-NE2 2.88Å |
| 522 | S | 88.3 | Confident | 90.6 | Very high | 6 Ų | 6 | 49.6 Ų | 49.6 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -137.9 | 153.4 | 172.4 | 82 | 0 | 0 | 0 | 0 | 112.2 | R440 R520 E548 | R440-S522 PolarHBondContact NH1-O 2.92Å; R440-S522 PolarHBondContact NH2-O 3.17Å; R520-S522 PolarHBondContact NE-OG 3.49Å; R520-S522 PolarHBondContact O-N 2.95Å; S522-E548 VanDerWaalsContact CB-OE1 3.28Å; S522-E548 WeakPolarHBondContact CB-OE1 3.44Å; S522-E548 PolarHBondContact OG-OE1 2.76Å |
| 523 | P | 87.8 | Confident | 91.3 | Very high | 105 Ų | 105 | 47.7 Ų | 47.7 | 68% | 0.682 | 27% | 0.266 | S | S | * | . | trans | -50.6 | 130.3 | -174.3 | -28 | 35.2 | 0 | 0 | 0 | 112.2 | R440 | R440-P523 PolarHBondContact NH1-O 3.34Å; R440-P523 VanDerWaalsContact NH1-O 3.1Å | ||
| 524 | P | 89.1 | Confident | 91.6 | Very high | 55 Ų | 55 | 47 Ų | 47 | 36% | 0.357 | 26% | 0.264 | S | S | . | . | trans | -72.1 | 149.6 | 177.9 | 31.4 | -35.5 | 0 | 0 | 0 | 111 | E528 L530 | P524-E528 HydrophobicContact CB-CB 3.7Å; P524-L530 HydrophobicContact CG-CB 4.02Å | ||
| 525 | G | 88 | Confident | 91.6 | Very high | 29 Ų | 29 | 54 Ų | 54 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | trans | -73.1 | 176.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R527 E528 | G525-R527 PolarHBondContact O-N 3.25Å; G525-E528 PolarHBondContact N-OE2 2.89Å; G525-E528 PolarHBondContact O-N 3.03Å | ||
| 526 | V | 87.4 | Confident | 91.5 | Very high | 152 Ų | 152 | 62.4 Ų | 62.4 | 92% | 0.921 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -27.6 | -171.4 | -178.1 | 0 | 0 | 0 | 0 | 114.2 | ||
| 527 | R | 88.4 | Confident | 91.3 | Very high | 78 Ų | 78 | 63.9 Ų | 63.9 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 16 | 179.5 | -56.7 | -169.4 | -58.4 | 175.6 | 5.9 | 113.3 | Q464 S465 F467 E501 G525 | Q464-R527 HydrophobicContact CG-CB 4.35Å; S465-R527 VanDerWaalsContact O-CZ 3.26Å; S465-R527 PolarHBondContact O-NE 2.86Å; S465-R527 PolarHBondContact O-NH2 2.89Å; F467-R527 PolarHBondContact O-NH2 2.84Å; E501-R527 IonicContact OE1-CZ 2.98Å; E501-R527 VanDerWaalsContact OE1-CZ 3.3Å; E501-R527 IonicContact OE1-NH1 3.47Å; E501-R527 PolarHBondContact OE1-NH1 3.02Å; E501-R527 VanDerWaalsContact OE1-NH1 3.07Å; E501-R527 IonicContact OE1-NH2 2.79Å; E501-R527 PolarHBondContact OE1-NH2 3.16Å; E501-R527 IonicContact OE2-CZ 3.17Å; E501-R527 IonicContact OE2-NH1 2.68Å; E501-R527 PolarHBondContact OE2-NH1 3.48Å; E501-R527 IonicContact OE2-NH2 2.74Å; G525-R527 PolarHBondContact O-N 3.25Å |
| 528 | E | 91.3 | Very high | 91.3 | Very high | 35 Ų | 35 | 64.5 Ų | 64.5 | 16% | 0.164 | 35% | 0.346 | C | S | . | . | trans | -112.8 | 151.3 | -175.3 | -67.4 | 166.3 | -172.7 | 0 | 0 | 110.2 | R440 A466 P524 G525 | R440-E528 VanDerWaalsContact CB-CD 3.45Å; R440-E528 HydrophobicContact CB-CG 4.22Å; R440-E528 WeakPolarHBondContact CB-OE1 3.33Å; R440-E528 WeakPolarHBondContact CD-OE2 3.48Å; R440-E528 IonicContact NH1-OE2 2.74Å; A466-E528 HydrophobicContact CB-CG 4.47Å; A466-E528 WeakPolarHBondContact CB-OE1 3.33Å; A466-E528 PolarHBondContact N-OE1 3.28Å; P524-E528 HydrophobicContact CB-CB 3.7Å; G525-E528 PolarHBondContact N-OE2 2.89Å; G525-E528 PolarHBondContact O-N 3.03Å | ||
| 529 | K | 89.9 | Confident | 91.2 | Very high | 113 Ų | 113 | 65.5 Ų | 65.5 | 49% | 0.491 | 35% | 0.349 | S | S | . | . | trans | -109.6 | 142.3 | 170.4 | -68.4 | 175.2 | 178.1 | 170.5 | 0 | 108.7 | E510 Y531 | E510-K529 VanDerWaalsContact OE1-CE 3.3Å; E510-K529 WeakPolarHBondContact OE1-CE 3.41Å; E510-K529 IonicContact OE1-NZ 2.96Å; E510-K529 PolarHBondContact OE1-NZ 3.42Å; K529-Y531 HydrophobicContact CB-CD2 4.35Å; K529-Y531 HydrophobicContact CB-CE1 4.22Å; K529-Y531 HydrophobicContact CB-CE2 3.96Å; K529-Y531 HydrophobicContact CD-CE1 4.44Å; K529-Y531 VanDerWaalsContact O-CD2 3.27Å; K529-Y531 WeakPolarHBondContact O-CD2 3.35Å; K529-Y531 PolarHBondContact O-N 3.49Å | ||
| 530 | L | 92.6 | Very high | 91.3 | Very high | 60 Ų | 60 | 67.5 Ų | 67.5 | 31% | 0.314 | 36% | 0.364 | S | S | . | . | trans | -87 | 88.7 | 170 | -174.1 | 62.3 | 0 | 0 | 0 | 108.2 | R520 P524 V532 A533 | R520-L530 WeakPolarHBondContact O-CD1 3.43Å; P524-L530 HydrophobicContact CG-CB 4.02Å; L530-V532 VanDerWaalsContact C-N 3.29Å; L530-V532 PolarHBondContact O-N 3.46Å; L530-A533 HydrophobicContact CB-CB 4.27Å; L530-A533 HydrophobicContact CD2-CB 3.77Å; L530-A533 HydrophobicContact CG-CB 3.83Å; L530-A533 WeakPolarHBondContact O-CB 3.43Å; L530-A533 PolarHBondContact O-N 3.32Å | ||
| 531 | Y | 92.8 | Very high | 91.5 | Very high | 22 Ų | 22 | 68.5 Ų | 68.5 | 9% | 0.086 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -65.6 | -32.9 | -177.3 | -63.5 | -83.5 | 0 | 0 | 0 | 111.7 | E510 I517 D519 K529 A533 D534 W538 | E510-Y531 PolarHBondContact OE2-OH 2.92Å; E510-Y531 VanDerWaalsContact OE2-OH 3.11Å; I517-Y531 HydrophobicContact CD1-CD1 3.93Å; I517-Y531 HydrophobicContact CD1-CD2 3.61Å; I517-Y531 HydrophobicContact CD1-CE1 3.73Å; I517-Y531 HydrophobicContact CD1-CE2 3.4Å; I517-Y531 VanDerWaalsContact CD1-CE2 3.4Å; I517-Y531 HydrophobicContact CD1-CG 3.87Å; I517-Y531 VanDerWaalsContact CD1-CZ 3.45Å; I517-Y531 HydrophobicContact CG1-CD2 4.36Å; I517-Y531 HydrophobicContact CG1-CE2 4.48Å; I517-Y531 HydrophobicContact CG2-CG 4.34Å; D519-Y531 HydrophobicContact CB-CD2 4.44Å; D519-Y531 WeakPolarHBondContact OD2-CA 3.49Å; D519-Y531 WeakPolarHBondContact OD2-CB 3.26Å; D519-Y531 PolarHBondContact OD2-N 3.46Å; K529-Y531 HydrophobicContact CB-CD2 4.35Å; K529-Y531 HydrophobicContact CB-CE1 4.22Å; K529-Y531 HydrophobicContact CB-CE2 3.96Å; K529-Y531 HydrophobicContact CD-CE1 4.44Å; K529-Y531 VanDerWaalsContact O-CD2 3.27Å; K529-Y531 WeakPolarHBondContact O-CD2 3.35Å; K529-Y531 PolarHBondContact O-N 3.49Å; Y531-A533 PolarHBondContact O-N 3.47Å; Y531-D534 PolarHBondContact O-N 3.14Å; Y531-W538 AromaticContact CD1-NE1 3.7Å |
| 532 | V | 92.8 | Very high | 91.7 | Very high | 26 Ų | 26 | 66.2 Ų | 66.2 | 16% | 0.158 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -62 | -28.3 | 176.7 | -173.6 | 0 | 0 | 0 | 0 | 112.1 | D519 D521 L530 D534 H589 L591 | D519-V532 HydrophobicContact CB-CG2 3.98Å; D519-V532 PolarHBondContact OD2-N 3Å; D521-V532 WeakPolarHBondContact OD1-CB 3.41Å; D521-V532 WeakPolarHBondContact OD1-CG1 3.45Å; D521-V532 WeakPolarHBondContact OD1-CG2 3.45Å; L530-V532 VanDerWaalsContact C-N 3.29Å; L530-V532 PolarHBondContact O-N 3.46Å; V532-D534 VanDerWaalsContact C-N 3.32Å; V532-H589 HydrophobicContact CG2-CB 4.04Å; V532-L591 HydrophobicContact CB-CD1 4.39Å; V532-L591 HydrophobicContact CG2-CD1 3.84Å; V532-L591 HydrophobicContact CG2-CD2 4.16Å; V532-L591 HydrophobicContact CG2-CG 4.29Å |
| 533 | A | 93.5 | Very high | 92.1 | Very high | 68 Ų | 68 | 69.5 Ų | 69.5 | 56% | 0.562 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -75.5 | -20.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L530 Y531 Q535 | L530-A533 HydrophobicContact CB-CB 4.27Å; L530-A533 HydrophobicContact CD2-CB 3.77Å; L530-A533 HydrophobicContact CG-CB 3.83Å; L530-A533 WeakPolarHBondContact O-CB 3.43Å; L530-A533 PolarHBondContact O-N 3.32Å; Y531-A533 PolarHBondContact O-N 3.47Å; A533-Q535 VanDerWaalsContact C-N 3.32Å; A533-Q535 PolarHBondContact O-N 3.47Å; A533-Q535 VanDerWaalsContact O-N 3.09Å |
| 534 | D | 93.1 | Very high | 92.4 | Very high | 63 Ų | 63 | 67 Ų | 67 | 34% | 0.337 | 36% | 0.355 | S | S | . | . | trans | -86.4 | 72.6 | 176.9 | -173.6 | 9.1 | 0 | 0 | 0 | 111.6 | Y531 V532 K536 T537 W538 | Y531-D534 PolarHBondContact O-N 3.14Å; V532-D534 VanDerWaalsContact C-N 3.32Å; D534-K536 PolarHBondContact O-N 3.46Å; D534-K536 VanDerWaalsContact O-N 3.12Å; D534-K536 PolarHBondContact OD1-N 2.91Å; D534-T537 PolarHBondContact O-N 3.08Å; D534-T537 PolarHBondContact O-OG1 3.26Å; D534-T537 PolarHBondContact OD1-OG1 3.46Å; D534-T537 WeakPolarHBondContact OD2-CG2 3.21Å; D534-T537 PolarHBondContact OD2-OG1 2.97Å; D534-W538 PolarHBondContact O-N 2.93Å | ||
| 535 | Q | 91.8 | Very high | 92.5 | Very high | 151 Ų | 151 | 65.3 Ų | 65.3 | 71% | 0.706 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -4.6 | 179.1 | -63 | -178.1 | -10.6 | 0 | 0 | 114 | A533 Y594 | A533-Q535 VanDerWaalsContact C-N 3.32Å; A533-Q535 PolarHBondContact O-N 3.47Å; A533-Q535 VanDerWaalsContact O-N 3.09Å; Q535-Y594 WeakPolarHBondContact O-CE2 3.44Å |
| 536 | K | 91.9 | Very high | 92.6 | Very high | 192 Ų | 192 | 64.1 Ų | 64.1 | 84% | 0.835 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -35.5 | 176.4 | -65.7 | -178.1 | 179.7 | 178.9 | 0 | 111.6 | D534 | D534-K536 PolarHBondContact O-N 3.46Å; D534-K536 VanDerWaalsContact O-N 3.12Å; D534-K536 PolarHBondContact OD1-N 2.91Å |
| 537 | T | 91.8 | Very high | 92.4 | Very high | 51 Ų | 51 | 57 Ų | 57 | 31% | 0.313 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | -33.6 | -176.6 | 60.1 | 0 | 0 | 0 | 0 | 111.8 | D534 R593 Y594 | D534-T537 PolarHBondContact O-N 3.08Å; D534-T537 PolarHBondContact O-OG1 3.26Å; D534-T537 PolarHBondContact OD1-OG1 3.46Å; D534-T537 WeakPolarHBondContact OD2-CG2 3.21Å; D534-T537 PolarHBondContact OD2-OG1 2.97Å; T537-R593 WeakPolarHBondContact O-CA 3.27Å; T537-Y594 WeakPolarHBondContact O-CD2 3.32Å; T537-Y594 PolarHBondContact O-N 3.14Å |
| 538 | W | 94.1 | Very high | 91.7 | Very high | 13 Ų | 13 | 54.3 Ų | 54.3 | 5% | 0.049 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 146.3 | -174.3 | -58.2 | 101.4 | 0 | 0 | 0 | 112.6 | C514 I517 Y531 D534 L591 A592 R593 | C514-W538 HydrophobicContact CB-CH2 3.76Å; C514-W538 HydrophobicContact CB-CZ2 4.33Å; C514-W538 WeakPolarHBondContact O-CH2 3.44Å; I517-W538 HydrophobicContact CB-CH2 4.35Å; I517-W538 HydrophobicContact CB-CZ3 4.39Å; I517-W538 HydrophobicContact CG2-CD2 3.98Å; I517-W538 HydrophobicContact CG2-CE3 3.78Å; I517-W538 HydrophobicContact CG2-CH2 3.91Å; I517-W538 HydrophobicContact CG2-CZ2 4.11Å; I517-W538 HydrophobicContact CG2-CZ3 3.73Å; Y531-W538 AromaticContact CD1-NE1 3.7Å; D534-W538 PolarHBondContact O-N 2.93Å; W538-L591 HydrophobicContact CB-CB 4.19Å; W538-L591 HydrophobicContact CB-CD1 4.09Å; W538-L591 HydrophobicContact CD2-CB 4.36Å; W538-L591 HydrophobicContact CE3-CB 3.95Å; W538-L591 HydrophobicContact CG-CB 4.46Å; W538-L591 HydrophobicContact CG-CD1 4.27Å; W538-A592 WeakPolarHBondContact CA-O 3.17Å; W538-R593 HydrophobicContact CE3-CB 3.96Å; W538-R593 HydrophobicContact CH2-CB 4.09Å; W538-R593 HydrophobicContact CZ3-CB 3.63Å; W538-R593 HydrophobicContact CZ3-CG 4.49Å |
| 539 | F | 94.9 | Very high | 90.3 | Very high | 36 Ų | 36 | 56 Ų | 56 | 16% | 0.158 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 152.3 | 162.7 | 69.8 | -85.9 | 0 | 0 | 0 | 110.4 | L541 L591 A592 Y594 E597 | F539-L541 HydrophobicContact CE2-CB 4.48Å; F539-L541 HydrophobicContact CE2-CD1 4.41Å; F539-L541 PolarHBondContact O-N 2.96Å; F539-L591 CarbonylContact O-C 3.56Å; F539-L591 WeakPolarHBondContact O-CA 3.43Å; F539-A592 HydrophobicContact CD1-CB 4.36Å; F539-A592 WeakPolarHBondContact CD1-O 3.45Å; F539-A592 HydrophobicContact CE1-CB 3.76Å; F539-A592 HydrophobicContact CE2-CB 4.07Å; F539-A592 HydrophobicContact CZ-CB 3.61Å; F539-A592 PolarHBondContact N-O 2.98Å; F539-A592 PolarHBondContact O-N 3.18Å; F539-Y594 HydrophobicContact CB-CE1 4.06Å; F539-Y594 HydrophobicContact CB-CE2 4.11Å; F539-Y594 AromaticContact CD1-CD1 3.75Å; F539-Y594 HydrophobicContact CD1-CD1 3.75Å; F539-Y594 HydrophobicContact CD1-CD2 4.33Å; F539-Y594 AromaticContact CD1-CE1 3.78Å; F539-Y594 HydrophobicContact CD1-CE1 3.78Å; F539-Y594 HydrophobicContact CD1-CE2 4.35Å; F539-Y594 HydrophobicContact CD1-CG 4.05Å; F539-Y594 HydrophobicContact CE1-CD1 4.24Å; F539-Y594 HydrophobicContact CG-CE1 4.17Å; F539-E597 HydrophobicContact CE1-CG 4.42Å; F539-E597 HydrophobicContact CZ-CG 4.12Å; F539-E597 WeakPolarHBondContact CZ-OE1 3.28Å |
| 540 | S | 95.8 | Very high | 88.9 | Confident | 47 Ų | 47 | 57.5 Ų | 57.5 | 33% | 0.329 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 101.9 | 178.5 | 175 | 0 | 0 | 0 | 0 | 110.5 | H589 | S540-H589 WeakPolarHBondContact CB-ND1 3.4Å; S540-H589 PolarHBondContact OG-ND1 2.88Å |
| 541 | L | 95 | Very high | 87.1 | Confident | 67 Ų | 67 | 57.8 Ų | 57.8 | 35% | 0.351 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | -48.9 | 175.3 | 176.6 | 71.2 | 0 | 0 | 0 | 111.2 | L424 Y516 F539 M590 A592 | L424-L541 HydrophobicContact CD2-CD2 4.3Å; Y516-L541 HydrophobicContact CE1-CD2 4.29Å; F539-L541 HydrophobicContact CE2-CB 4.48Å; F539-L541 HydrophobicContact CE2-CD1 4.41Å; F539-L541 PolarHBondContact O-N 2.96Å; L541-M590 WeakPolarHBondContact CB-O 3.29Å; L541-M590 PolarHBondContact N-O 2.76Å; L541-A592 HydrophobicContact CB-CB 4.13Å |
| 542 | V | 95.9 | Very high | 85.2 | Confident | 21 Ų | 21 | 62.3 Ų | 62.3 | 13% | 0.127 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 143.9 | 178.5 | 59 | 0 | 0 | 0 | 0 | 108.7 | F419 L420 H423 M590 | F419-V542 HydrophobicContact CD1-CG2 4.22Å; F419-V542 HydrophobicContact CE1-CG2 3.52Å; F419-V542 HydrophobicContact CZ-CG2 4.32Å; L420-V542 HydrophobicContact CD2-CB 4.36Å; L420-V542 HydrophobicContact CD2-CG1 3.8Å; L420-V542 HydrophobicContact CD2-CG2 4.08Å; L420-V542 WeakPolarHBondContact CD2-O 3.47Å; H423-V542 HydrophobicContact CB-CB 4.32Å; H423-V542 HydrophobicContact CB-CG1 4.01Å; H423-V542 HydrophobicContact CB-CG2 4.15Å; V542-M590 HydrophobicContact CG1-CB 3.63Å; V542-M590 HydrophobicContact CG1-CG 4.5Å; V542-M590 PolarHBondContact N-O 2.72Å; V542-M590 PolarHBondContact O-N 3.37Å |
| 543 | N | 95.9 | Very high | 83.4 | Confident | 76 Ų | 76 | 64.9 Ų | 64.9 | 41% | 0.406 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 156.8 | 176 | 63.4 | 30.7 | 0 | 0 | 0 | 111.1 | L588 H589 | N543-L588 CarbonylContact C-O 3.53Å; N543-L588 VanDerWaalsContact CA-O 3.22Å; N543-L588 WeakPolarHBondContact CA-O 3.33Å; N543-H589 WeakPolarHBondContact CB-ND1 3.33Å |
| 544 | R | 95.1 | Very high | 81.5 | Confident | 53 Ų | 53 | 65.7 Ų | 65.7 | 20% | 0.2 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 142.4 | 173.7 | -165.2 | 164.5 | 165.5 | 156.7 | -2.6 | 110.5 | S415 S416 F419 L420 L588 | S415-R544 PolarHBondContact OG-NH2 2.85Å; S416-R544 WeakPolarHBondContact OG-CG 3.29Å; F419-R544 HydrophobicContact CD1-CB 3.92Å; F419-R544 HydrophobicContact CD1-CG 4.24Å; F419-R544 HydrophobicContact CE1-CB 4.3Å; F419-R544 VanDerWaalsContact CG-CD 3.49Å; L420-R544 HydrophobicContact CD2-CB 4.32Å; R544-L588 PolarHBondContact N-O 3.06Å; R544-L588 PolarHBondContact O-N 3.23Å |
| 545 | T | 91.5 | Very high | 79.7 | Confident | 18 Ų | 18 | 68.9 Ų | 68.9 | 11% | 0.11 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 139.6 | -179.1 | 54 | 0 | 0 | 0 | 0 | 112.1 | W413 S416 K585 I586 Y587 | W413-T545 WeakPolarHBondContact CZ3-OG1 3.28Å; S416-T545 PolarHBondContact OG-O 3.33Å; T545-K585 HydrophobicContact CG2-CD 4.29Å; T545-I586 CarbonylContact C-O 3.28Å; T545-I586 VanDerWaalsContact CA-O 3.27Å; T545-I586 WeakPolarHBondContact CA-O 3.48Å; T545-Y587 HydrophobicContact CG2-CD1 3.68Å; T545-Y587 HydrophobicContact CG2-CE1 3.36Å; T545-Y587 HydrophobicContact CG2-CE2 4.39Å; T545-Y587 HydrophobicContact CG2-CG 4.31Å |
| 546 | T | 89.2 | Confident | 77.9 | Confident | 5 Ų | 5 | 65.1 Ų | 65.1 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 162.6 | 169.2 | -170.6 | 0 | 0 | 0 | 0 | 109.9 | W413 K585 I586 L588 | W413-T546 PolarHBondContact O-OG1 2.8Å; T546-K585 WeakPolarHBondContact O-CA 3.24Å; T546-I586 HydrophobicContact CG2-CD1 4.13Å; T546-I586 HydrophobicContact CG2-CG1 3.68Å; T546-I586 PolarHBondContact N-O 3.46Å; T546-I586 PolarHBondContact O-N 2.91Å; T546-L588 HydrophobicContact CG2-CB 4.27Å |
| 547 | L | 82.9 | Confident | 75.9 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.016 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 136.6 | 174.4 | -65.7 | -175.2 | 0 | 0 | 0 | 110.3 | W413 Y574 D583 | W413-L547 HydrophobicContact CB-CD1 4.17Å; W413-L547 HydrophobicContact CB-CG 3.84Å; W413-L547 HydrophobicContact CD2-CD1 4.22Å; W413-L547 HydrophobicContact CD2-CD2 3.76Å; W413-L547 HydrophobicContact CD2-CG 3.7Å; W413-L547 HydrophobicContact CE3-CD2 3.92Å; W413-L547 HydrophobicContact CE3-CG 4.13Å; W413-L547 HydrophobicContact CG-CD1 3.75Å; W413-L547 HydrophobicContact CG-CD2 4.16Å; W413-L547 HydrophobicContact CG-CG 3.55Å; W413-L547 HydrophobicContact CH2-CD2 4.41Å; W413-L547 HydrophobicContact CZ2-CD2 4.26Å; W413-L547 HydrophobicContact CZ3-CD2 4.24Å; L547-Y574 HydrophobicContact CD1-CE1 4.48Å; L547-D583 HydrophobicContact CD1-CB 4.26Å; L547-D583 HydrophobicContact CD2-CB 3.52Å; L547-D583 HydrophobicContact CG-CB 4.49Å |
| 548 | E | 73.9 | Confident | 73.9 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 10% | 0.098 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -96.1 | 120.5 | 171.2 | -159.6 | 167.9 | -143.3 | 0 | 0 | 109.8 | R520 S522 N550 N551 I586 | R520-E548 IonicContact CZ-OE1 3.39Å; R520-E548 IonicContact NE-OE1 3.19Å; R520-E548 IonicContact NH2-OE1 2.74Å; R520-E548 PolarHBondContact NH2-OE1 2.85Å; S522-E548 VanDerWaalsContact CB-OE1 3.28Å; S522-E548 WeakPolarHBondContact CB-OE1 3.44Å; S522-E548 PolarHBondContact OG-OE1 2.76Å; E548-N550 PolarHBondContact O-N 2.91Å; E548-N551 HydrophobicContact CB-CB 4.33Å; E548-N551 PolarHBondContact OE2-ND2 3.41Å; E548-I586 HydrophobicContact CB-CD1 4.03Å; E548-I586 HydrophobicContact CB-CG1 4.35Å; E548-I586 HydrophobicContact CB-CG2 4.3Å; E548-I586 HydrophobicContact CG-CD1 4.16Å |
| 549 | P | 62 | Low | 72 | Confident | 70 Ų | 70 | 69.7 Ų | 69.7 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 128.8 | 170.9 | 25 | -27.5 | 0 | 0 | 0 | 109.1 | ||
| 550 | N | 59.9 | Low | 70.1 | Confident | 144 Ų | 144 | 75.2 Ų | 75.2 | 77% | 0.77 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | -4.7 | 175.6 | -48.6 | -33.7 | 0 | 0 | 0 | 118.5 | E548 Y552 | E548-N550 PolarHBondContact O-N 2.91Å; N550-Y552 PolarHBondContact O-N 2.96Å |
| 551 | N | 55 | Low | 67.9 | Low | 66 Ų | 66 | 79 Ų | 79 | 35% | 0.353 | 42% | 0.416 | S | S | . | . | trans | -84.1 | 91.6 | 167.7 | -124.7 | -12.5 | 0 | 0 | 0 | 108.7 | E548 H584 | E548-N551 HydrophobicContact CB-CB 4.33Å; E548-N551 PolarHBondContact OE2-ND2 3.41Å; N551-H584 HydrophobicContact CB-CB 4.29Å; N551-H584 WeakPolarHBondContact O-CB 3.21Å | ||
| 552 | Y | 54.1 | Low | 65.9 | Low | 118 Ų | 118 | 80.4 Ų | 80.4 | 46% | 0.463 | 43% | 0.431 | S | S | . | . | trans | -112.8 | 137.3 | 168.3 | 76.9 | -84.8 | 0 | 0 | 0 | 107.9 | N550 P554 T564 | N550-Y552 PolarHBondContact O-N 2.96Å; Y552-P554 HydrophobicContact CD2-CB 4.34Å; Y552-P554 HydrophobicContact CE2-CB 3.72Å; Y552-P554 HydrophobicContact CE2-CG 4.46Å; Y552-P554 VanDerWaalsContact O-CD 3.24Å; Y552-P554 WeakPolarHBondContact O-CD 3.43Å; Y552-T564 HydrophobicContact CE2-CG2 4.34Å | ||
| 553 | N | 54.1 | Low | 63.7 | Low | 79 Ų | 79 | 80.2 Ų | 80.2 | 42% | 0.422 | 43% | 0.429 | S | S | . | . | trans | -81.6 | 113 | 169.3 | -163.7 | 12.7 | 0 | 0 | 0 | 107.3 | N555 D556 | N553-N555 PolarHBondContact O-N 3.48Å; N553-D556 HydrophobicContact CB-CB 4.44Å; N553-D556 PolarHBondContact ND2-OD1 3.38Å; N553-D556 PolarHBondContact O-N 3.42Å | ||
| 554 | P | 54.7 | Low | 61.6 | Low | 86 Ų | 86 | 80.5 Ų | 80.5 | 56% | 0.558 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -17.8 | 179.5 | 22.2 | -32 | 0 | 0 | 0 | 113.1 | Y552 | Y552-P554 HydrophobicContact CD2-CB 4.34Å; Y552-P554 HydrophobicContact CE2-CB 3.72Å; Y552-P554 HydrophobicContact CE2-CG 4.46Å; Y552-P554 VanDerWaalsContact O-CD 3.24Å; Y552-P554 WeakPolarHBondContact O-CD 3.43Å |
| 555 | N | 54.4 | Low | 59.5 | Low | 129 Ų | 129 | 86 Ų | 86 | 69% | 0.69 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -3.5 | -177.4 | -62.7 | -17.8 | 0 | 0 | 0 | 114.2 | N553 N557 | N553-N555 PolarHBondContact O-N 3.48Å; N555-N557 PolarHBondContact O-N 3.26Å; N555-N557 VanDerWaalsContact O-N 3.16Å |
| 556 | D | 54.8 | Low | 57.7 | Low | 73 Ų | 73 | 89.6 Ų | 89.6 | 39% | 0.39 | 47% | 0.474 | S | S | . | . | trans | -74.5 | 108.4 | 179.8 | -75.2 | -5.7 | 0 | 0 | 0 | 110.3 | N553 L563 | N553-D556 HydrophobicContact CB-CB 4.44Å; N553-D556 PolarHBondContact ND2-OD1 3.38Å; N553-D556 PolarHBondContact O-N 3.42Å; D556-L563 VanDerWaalsContact O-CD1 3.3Å; D556-L563 WeakPolarHBondContact O-CD1 3.49Å | ||
| 557 | N | 49.5 | Very low | 56.1 | Low | 106 Ų | 106 | 90.2 Ų | 90.2 | 57% | 0.567 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 131.4 | 171.5 | -70.6 | -19.5 | 0 | 0 | 0 | 110.1 | N555 | N555-N557 PolarHBondContact O-N 3.26Å; N555-N557 VanDerWaalsContact O-N 3.16Å |
| 558 | L | 49.6 | Very low | 54.8 | Low | 82 Ų | 82 | 95.6 Ų | 95.6 | 43% | 0.429 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 115.2 | 165.6 | -173.3 | 74.5 | 0 | 0 | 0 | 106.4 | D560 L563 | L558-D560 PolarHBondContact O-N 3.46Å; L558-L563 HydrophobicContact CB-CD1 3.51Å; L558-L563 HydrophobicContact CB-CD2 4.22Å; L558-L563 HydrophobicContact CB-CG 4.39Å |
| 559 | L | 54.8 | Low | 53.9 | Low | 163 Ų | 163 | 99.2 Ų | 99.2 | 85% | 0.853 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 44.4 | -179.9 | -66.4 | 150.6 | 0 | 0 | 0 | 113.6 | M561 | L559-M561 PolarHBondContact O-N 3.2Å; L559-M561 VanDerWaalsContact O-N 3.09Å |
| 560 | D | 53.2 | Low | 53.7 | Low | 152 Ų | 152 | 97.9 Ų | 97.9 | 81% | 0.813 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 19.9 | 175.1 | -67.2 | -27.6 | 0 | 0 | 0 | 116.9 | L558 | L558-D560 PolarHBondContact O-N 3.46Š|
| 561 | M | 51.2 | Low | 53.7 | Low | 128 Ų | 128 | 93.1 Ų | 93.1 | 63% | 0.631 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 137.6 | 170.4 | -81.8 | -170.5 | 173.9 | 0 | 0 | 112.5 | L559 L563 | L559-M561 PolarHBondContact O-N 3.2Å; L559-M561 VanDerWaalsContact O-N 3.09Å; M561-L563 VanDerWaalsContact O-CD1 3.32Å; M561-L563 WeakPolarHBondContact O-CD1 3.27Å; M561-L563 PolarHBondContact O-N 3.39Å |
| 562 | S | 51.6 | Low | 53.7 | Low | 95 Ų | 95 | 91.1 Ų | 91.1 | 66% | 0.664 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 113.8 | 176.9 | 61.3 | 0 | 0 | 0 | 0 | 111.4 | T564 | S562-T564 PolarHBondContact O-N 3.41Å |
| 563 | L | 51 | Low | 53.9 | Low | 18 Ų | 18 | 88.2 Ų | 88.2 | 9% | 0.094 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -5.3 | -169.1 | -95.2 | 99.6 | 0 | 0 | 0 | 116.6 | D556 L558 M561 F565 F566 Y567 L570 | D556-L563 VanDerWaalsContact O-CD1 3.3Å; D556-L563 WeakPolarHBondContact O-CD1 3.49Å; L558-L563 HydrophobicContact CB-CD1 3.51Å; L558-L563 HydrophobicContact CB-CD2 4.22Å; L558-L563 HydrophobicContact CB-CG 4.39Å; M561-L563 VanDerWaalsContact O-CD1 3.32Å; M561-L563 WeakPolarHBondContact O-CD1 3.27Å; M561-L563 PolarHBondContact O-N 3.39Å; L563-F565 VanDerWaalsContact C-N 3.29Å; L563-F565 PolarHBondContact O-N 3.17Å; L563-F565 VanDerWaalsContact O-N 3.11Å; L563-F566 HydrophobicContact CG-CB 4.43Å; L563-F566 CarbonylContact O-C 3.56Å; L563-F566 WeakPolarHBondContact O-CA 3.44Å; L563-F566 PolarHBondContact O-N 3.11Å; L563-Y567 HydrophobicContact CB-CD2 4.5Å; L563-Y567 HydrophobicContact CD2-CD2 4.33Å; L563-Y567 WeakPolarHBondContact O-CB 3.44Å; L563-Y567 PolarHBondContact O-N 3.4Å; L563-L570 HydrophobicContact CD2-CD1 4.23Å |
| 564 | T | 51.2 | Low | 54.2 | Low | 82 Ų | 82 | 85.5 Ų | 85.5 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -57.3 | -39.6 | -167.2 | -27.7 | 0 | 0 | 0 | 0 | 113.7 | Y552 S562 | Y552-T564 HydrophobicContact CE2-CG2 4.34Å; S562-T564 PolarHBondContact O-N 3.41Å |
| 565 | F | 51.5 | Low | 54.6 | Low | 167 Ų | 167 | 85.3 Ų | 85.3 | 73% | 0.732 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -75.4 | -39.5 | 174.1 | -174.7 | -99 | 0 | 0 | 0 | 112.3 | L563 Y567 F569 | L563-F565 VanDerWaalsContact C-N 3.29Å; L563-F565 PolarHBondContact O-N 3.17Å; L563-F565 VanDerWaalsContact O-N 3.11Å; F565-Y567 VanDerWaalsContact C-N 3.34Å; F565-Y567 PolarHBondContact O-N 2.9Å; F565-F569 PolarHBondContact O-N 3.45Å |
| 566 | F | 52.6 | Low | 54.9 | Low | 94 Ų | 94 | 81.6 Ų | 81.6 | 41% | 0.412 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68.3 | -29.6 | 178.3 | -89.7 | -82.3 | 0 | 0 | 0 | 112.9 | L563 Q568 F569 L570 | L563-F566 HydrophobicContact CG-CB 4.43Å; L563-F566 CarbonylContact O-C 3.56Å; L563-F566 WeakPolarHBondContact O-CA 3.44Å; L563-F566 PolarHBondContact O-N 3.11Å; F566-Q568 PolarHBondContact O-N 3.35Å; F566-F569 CarbonylContact O-C 3.45Å; F566-F569 PolarHBondContact O-N 2.91Å; F566-F569 VanDerWaalsContact O-N 3.15Å; F566-L570 HydrophobicContact CB-CD1 4.04Å; F566-L570 HydrophobicContact CB-CG 4.41Å; F566-L570 HydrophobicContact CD1-CD1 4.38Å; F566-L570 HydrophobicContact CD1-CG 4.33Å; F566-L570 WeakPolarHBondContact O-CB 3.41Å; F566-L570 WeakPolarHBondContact O-CG 3.48Å; F566-L570 PolarHBondContact O-N 3.44Å |
| 567 | Y | 55.6 | Low | 55.3 | Low | 19 Ų | 19 | 83.8 Ų | 83.8 | 8% | 0.075 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -65.1 | -44.4 | -176.1 | -146.7 | -83.2 | 0 | 0 | 0 | 111.2 | L563 F565 F569 R571 I582 D583 H584 | L563-Y567 HydrophobicContact CB-CD2 4.5Å; L563-Y567 HydrophobicContact CD2-CD2 4.33Å; L563-Y567 WeakPolarHBondContact O-CB 3.44Å; L563-Y567 PolarHBondContact O-N 3.4Å; F565-Y567 VanDerWaalsContact C-N 3.34Å; F565-Y567 PolarHBondContact O-N 2.9Å; Y567-F569 VanDerWaalsContact C-N 3.33Å; Y567-F569 PolarHBondContact O-N 3.11Å; Y567-R571 VanDerWaalsContact O-CB 3.3Å; Y567-R571 WeakPolarHBondContact O-CB 3.21Å; Y567-R571 VanDerWaalsContact O-CG 3.28Å; Y567-R571 WeakPolarHBondContact O-CG 3.46Å; Y567-R571 PolarHBondContact O-N 3.49Å; Y567-I582 HydrophobicContact CD1-CG2 4.42Å; Y567-I582 HydrophobicContact CD2-CG2 3.47Å; Y567-I582 VanDerWaalsContact CD2-CG2 3.47Å; Y567-I582 HydrophobicContact CE1-CG2 4.2Å; Y567-I582 HydrophobicContact CE2-CB 4.47Å; Y567-I582 HydrophobicContact CE2-CG2 3.17Å; Y567-I582 WeakPolarHBondContact CE2-O 3.37Å; Y567-I582 HydrophobicContact CG-CG2 4.11Å; Y567-I582 PolarHBondContact OH-O 2.76Å; Y567-D583 WeakPolarHBondContact OH-CA 3.43Å; Y567-H584 PolarHBondContact OH-N 3.25Å |
| 568 | Q | 56 | Low | 56.1 | Low | 116 Ų | 116 | 81.7 Ų | 81.7 | 54% | 0.542 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.1 | -38.4 | 173.5 | -63.4 | -170.9 | 13.4 | 0 | 0 | 111.5 | F566 I572 | F566-Q568 PolarHBondContact O-N 3.35Å; Q568-I572 VanDerWaalsContact O-CG1 3.3Å; Q568-I572 WeakPolarHBondContact O-CG1 3.44Å; Q568-I572 PolarHBondContact O-N 3.37Å; Q568-I572 VanDerWaalsContact O-N 3.08Å |
| 569 | F | 54.2 | Low | 56.9 | Low | 97 Ų | 97 | 78 Ų | 78 | 43% | 0.425 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -73.6 | -41.5 | -179.4 | -166.8 | -100.6 | 0 | 0 | 0 | 113 | F565 F566 Y567 R571 I572 F573 | F565-F569 PolarHBondContact O-N 3.45Å; F566-F569 CarbonylContact O-C 3.45Å; F566-F569 PolarHBondContact O-N 2.91Å; F566-F569 VanDerWaalsContact O-N 3.15Å; Y567-F569 VanDerWaalsContact C-N 3.33Å; Y567-F569 PolarHBondContact O-N 3.11Å; F569-R571 VanDerWaalsContact C-N 3.34Å; F569-I572 WeakPolarHBondContact O-CA 2.93Å; F569-I572 VanDerWaalsContact O-CB 3.25Å; F569-I572 WeakPolarHBondContact O-CB 3.47Å; F569-I572 PolarHBondContact O-N 3.12Å; F569-F573 AromaticContact CD1-CD2 3.95Å; F569-F573 HydrophobicContact CD1-CD2 3.95Å; F569-F573 AromaticContact CD1-CE2 3.57Å; F569-F573 HydrophobicContact CD1-CE2 3.57Å; F569-F573 HydrophobicContact CD2-CE2 4.01Å; F569-F573 AromaticContact CE1-CD2 3.84Å; F569-F573 HydrophobicContact CE1-CD2 3.84Å; F569-F573 AromaticContact CE1-CE2 3.16Å; F569-F573 HydrophobicContact CE1-CE2 3.16Å; F569-F573 AromaticContact CE1-CZ 3.94Å; F569-F573 HydrophobicContact CE1-CZ 3.94Å; F569-F573 AromaticContact CE2-CE2 3.64Å; F569-F573 HydrophobicContact CE2-CE2 3.64Å; F569-F573 HydrophobicContact CE2-CZ 4.13Å; F569-F573 HydrophobicContact CG-CD2 4.5Å; F569-F573 AromaticContact CG-CE2 4Å; F569-F573 HydrophobicContact CG-CE2 4Å; F569-F573 HydrophobicContact CZ-CD2 4.3Å; F569-F573 AromaticContact CZ-CE2 3.22Å; F569-F573 HydrophobicContact CZ-CE2 3.22Å; F569-F573 AromaticContact CZ-CZ 3.63Å; F569-F573 HydrophobicContact CZ-CZ 3.63Å; F569-F573 WeakPolarHBondContact O-CD2 3.31Å; F569-F573 PolarHBondContact O-N 3.33Å |
| 570 | L | 59.7 | Low | 57.5 | Low | 41 Ų | 41 | 75.3 Ų | 75.3 | 22% | 0.215 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -68.9 | -36.6 | 177.7 | -70.1 | 171.5 | 0 | 0 | 0 | 110.9 | L563 F566 I572 F573 Y574 L578 I582 | L563-L570 HydrophobicContact CD2-CD1 4.23Å; F566-L570 HydrophobicContact CB-CD1 4.04Å; F566-L570 HydrophobicContact CB-CG 4.41Å; F566-L570 HydrophobicContact CD1-CD1 4.38Å; F566-L570 HydrophobicContact CD1-CG 4.33Å; F566-L570 WeakPolarHBondContact O-CB 3.41Å; F566-L570 WeakPolarHBondContact O-CG 3.48Å; F566-L570 PolarHBondContact O-N 3.44Å; L570-I572 VanDerWaalsContact C-N 3.32Å; L570-F573 PolarHBondContact O-N 2.76Å; L570-Y574 PolarHBondContact O-N 2.89Å; L570-L578 HydrophobicContact CD2-CD1 4.33Å; L570-I582 HydrophobicContact CB-CD1 4.36Å; L570-I582 HydrophobicContact CD1-CD1 3.5Å; L570-I582 VanDerWaalsContact CD1-CD1 3.5Å; L570-I582 HydrophobicContact CG-CD1 4.45Å |
| 571 | R | 59.2 | Low | 58.2 | Low | 44 Ų | 44 | 76 Ų | 76 | 17% | 0.166 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -54 | -51.4 | 162.4 | -78.6 | -180 | 174.6 | -166 | -3.5 | 109.1 | Y567 F569 F573 Y574 D583 | Y567-R571 VanDerWaalsContact O-CB 3.3Å; Y567-R571 WeakPolarHBondContact O-CB 3.21Å; Y567-R571 VanDerWaalsContact O-CG 3.28Å; Y567-R571 WeakPolarHBondContact O-CG 3.46Å; Y567-R571 PolarHBondContact O-N 3.49Å; F569-R571 VanDerWaalsContact C-N 3.34Å; R571-F573 VanDerWaalsContact C-N 3.26Å; R571-F573 PolarHBondContact O-N 2.97Å; R571-Y574 HydrophobicContact CB-CE1 3.94Å; R571-Y574 HydrophobicContact CB-CE2 4.16Å; R571-Y574 HydrophobicContact CG-CE1 3.88Å; R571-Y574 WeakPolarHBondContact O-CA 3.47Å; R571-Y574 WeakPolarHBondContact O-CB 3.41Å; R571-Y574 WeakPolarHBondContact O-CD1 3.45Å; R571-Y574 WeakPolarHBondContact O-CD2 3.48Å; R571-Y574 WeakPolarHBondContact O-CE2 3.42Å; R571-Y574 PolarHBondContact O-N 2.88Å; R571-D583 WeakPolarHBondContact CG-OD1 3.49Å; R571-D583 IonicContact CZ-OD1 2.73Å; R571-D583 IonicContact NE-OD1 3.31Å; R571-D583 PolarHBondContact NE-OD1 3.48Å; R571-D583 IonicContact NH2-OD1 3.6Å; R571-D583 PolarHBondContact NH2-OD1 3.14Å |
| 572 | I | 54.6 | Low | 59 | Low | 24 Ų | 24 | 70.8 Ų | 70.8 | 12% | 0.123 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -50 | -40.9 | -179.9 | -68.8 | 163.1 | 0 | 0 | 0 | 115.1 | I280 L281 Q568 F569 L570 | I280-I572 HydrophobicContact CB-CG2 4.49Å; I280-I572 HydrophobicContact CG2-CG2 3.49Å; I280-I572 VanDerWaalsContact CG2-CG2 3.49Å; L281-I572 HydrophobicContact CD2-CB 4.05Å; L281-I572 HydrophobicContact CD2-CG1 3.84Å; L281-I572 HydrophobicContact CD2-CG2 4.2Å; L281-I572 HydrophobicContact CG-CG1 4.17Å; Q568-I572 VanDerWaalsContact O-CG1 3.3Å; Q568-I572 WeakPolarHBondContact O-CG1 3.44Å; Q568-I572 PolarHBondContact O-N 3.37Å; Q568-I572 VanDerWaalsContact O-N 3.08Å; F569-I572 WeakPolarHBondContact O-CA 2.93Å; F569-I572 VanDerWaalsContact O-CB 3.25Å; F569-I572 WeakPolarHBondContact O-CB 3.47Å; F569-I572 PolarHBondContact O-N 3.12Å; L570-I572 VanDerWaalsContact C-N 3.32Å |
| 573 | F | 58 | Low | 59.9 | Low | 58 Ų | 58 | 66.8 Ų | 66.8 | 25% | 0.254 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -85 | -15.9 | 178.8 | -62.3 | -84.1 | 0 | 0 | 0 | 114.1 | M402 F569 L570 R571 I575 | M402-F573 HydrophobicContact CE-CD1 3.44Å; M402-F573 VanDerWaalsContact CE-CD1 3.44Å; M402-F573 HydrophobicContact CE-CE1 3.41Å; M402-F573 VanDerWaalsContact CE-CE1 3.41Å; M402-F573 HydrophobicContact CG-CD1 4.39Å; M402-F573 HydrophobicContact SD-CD1 3.97Å; M402-F573 HydrophobicContact SD-CE1 3.97Å; F569-F573 AromaticContact CD1-CD2 3.95Å; F569-F573 HydrophobicContact CD1-CD2 3.95Å; F569-F573 AromaticContact CD1-CE2 3.57Å; F569-F573 HydrophobicContact CD1-CE2 3.57Å; F569-F573 HydrophobicContact CD2-CE2 4.01Å; F569-F573 AromaticContact CE1-CD2 3.84Å; F569-F573 HydrophobicContact CE1-CD2 3.84Å; F569-F573 AromaticContact CE1-CE2 3.16Å; F569-F573 HydrophobicContact CE1-CE2 3.16Å; F569-F573 AromaticContact CE1-CZ 3.94Å; F569-F573 HydrophobicContact CE1-CZ 3.94Å; F569-F573 AromaticContact CE2-CE2 3.64Å; F569-F573 HydrophobicContact CE2-CE2 3.64Å; F569-F573 HydrophobicContact CE2-CZ 4.13Å; F569-F573 HydrophobicContact CG-CD2 4.5Å; F569-F573 AromaticContact CG-CE2 4Å; F569-F573 HydrophobicContact CG-CE2 4Å; F569-F573 HydrophobicContact CZ-CD2 4.3Å; F569-F573 AromaticContact CZ-CE2 3.22Å; F569-F573 HydrophobicContact CZ-CE2 3.22Å; F569-F573 AromaticContact CZ-CZ 3.63Å; F569-F573 HydrophobicContact CZ-CZ 3.63Å; F569-F573 WeakPolarHBondContact O-CD2 3.31Å; F569-F573 PolarHBondContact O-N 3.33Å; L570-F573 PolarHBondContact O-N 2.76Å; R571-F573 VanDerWaalsContact C-N 3.26Å; R571-F573 PolarHBondContact O-N 2.97Å; F573-I575 HydrophobicContact CB-CG1 4.49Å; F573-I575 PolarHBondContact O-N 3.34Å |
| 574 | Y | 60.2 | Low | 61.1 | Low | 22 Ų | 22 | 69.9 Ų | 69.9 | 9% | 0.086 | 33% | 0.334 | C | S | . | . | trans | 34.3 | 52 | 177.5 | -80.2 | -63.6 | 0 | 0 | 0 | 112.8 | L281 S405 T409 L547 L570 R571 P576 | L281-Y574 HydrophobicContact CD2-CD2 4.46Å; L281-Y574 HydrophobicContact CD2-CE2 4.11Å; S405-Y574 PolarHBondContact OG-O 3.47Å; T409-Y574 HydrophobicContact CG2-CD1 3.5Å; T409-Y574 VanDerWaalsContact CG2-CD1 3.5Å; T409-Y574 HydrophobicContact CG2-CE1 4.33Å; T409-Y574 HydrophobicContact CG2-CG 3.85Å; T409-Y574 PolarHBondContact OG1-O 2.93Å; T409-Y574 VanDerWaalsContact OG1-O 3.05Å; L547-Y574 HydrophobicContact CD1-CE1 4.48Å; L570-Y574 PolarHBondContact O-N 2.89Å; R571-Y574 HydrophobicContact CB-CE1 3.94Å; R571-Y574 HydrophobicContact CB-CE2 4.16Å; R571-Y574 HydrophobicContact CG-CE1 3.88Å; R571-Y574 WeakPolarHBondContact O-CA 3.47Å; R571-Y574 WeakPolarHBondContact O-CB 3.41Å; R571-Y574 WeakPolarHBondContact O-CD1 3.45Å; R571-Y574 WeakPolarHBondContact O-CD2 3.48Å; R571-Y574 WeakPolarHBondContact O-CE2 3.42Å; R571-Y574 PolarHBondContact O-N 2.88Å; Y574-P576 VanDerWaalsContact O-CD 3.25Å; Y574-P576 WeakPolarHBondContact O-CD 3.37Å | ||
| 575 | I | 63.9 | Low | 62.6 | Low | 82 Ų | 82 | 71 Ų | 71 | 42% | 0.421 | 33% | 0.331 | S | S | . | . | trans | -64.4 | 115.7 | 170.9 | -61 | -178.4 | 0 | 0 | 0 | 106.3 | S405 F573 I577 L578 S579 | S405-I575 WeakPolarHBondContact OG-CA 3.4Å; F573-I575 HydrophobicContact CB-CG1 4.49Å; F573-I575 PolarHBondContact O-N 3.34Å; I575-I577 VanDerWaalsContact C-N 3.26Å; I575-I577 PolarHBondContact O-N 2.88Å; I575-I577 VanDerWaalsContact O-N 3.1Å; I575-L578 HydrophobicContact CB-CB 4.16Å; I575-L578 HydrophobicContact CB-CD1 4.04Å; I575-L578 HydrophobicContact CB-CG 4.13Å; I575-L578 HydrophobicContact CD1-CD1 3.85Å; I575-L578 HydrophobicContact CG1-CD1 4.39Å; I575-L578 HydrophobicContact CG2-CB 4.5Å; I575-L578 HydrophobicContact CG2-CD1 4.36Å; I575-L578 HydrophobicContact CG2-CG 4.14Å; I575-L578 PolarHBondContact O-N 2.64Å; I575-S579 PolarHBondContact O-N 3.31Å | ||
| 576 | P | 60.5 | Low | 64.4 | Low | 51 Ų | 51 | 63.4 Ų | 63.4 | 33% | 0.331 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -51.7 | -43.9 | -168.6 | -30.1 | 32.4 | 0 | 0 | 0 | 113.4 | S405 Y574 L578 S579 E580 | S405-P576 WeakPolarHBondContact OG-CD 3.32Å; Y574-P576 VanDerWaalsContact O-CD 3.25Å; Y574-P576 WeakPolarHBondContact O-CD 3.37Å; P576-L578 VanDerWaalsContact C-N 3.35Å; P576-L578 PolarHBondContact O-N 3.37Å; P576-S579 PolarHBondContact O-N 3.49Å; P576-E580 WeakPolarHBondContact O-CG 3.48Å; P576-E580 PolarHBondContact O-N 3.19Å |
| 577 | I | 63.7 | Low | 66.3 | Low | 119 Ų | 119 | 63.6 Ų | 63.6 | 61% | 0.61 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -65.5 | -36.3 | -179.6 | -60.9 | 170.2 | 0 | 0 | 0 | 112.2 | I575 | I575-I577 VanDerWaalsContact C-N 3.26Å; I575-I577 PolarHBondContact O-N 2.88Å; I575-I577 VanDerWaalsContact O-N 3.1Å |
| 578 | L | 65.1 | Low | 68.2 | Low | 61 Ų | 61 | 62.7 Ų | 62.7 | 32% | 0.319 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -76.3 | -40.9 | 176.5 | -65.1 | -179.1 | 0 | 0 | 0 | 110.8 | L570 I575 P576 E580 K581 I582 | L570-L578 HydrophobicContact CD2-CD1 4.33Å; I575-L578 HydrophobicContact CB-CB 4.16Å; I575-L578 HydrophobicContact CB-CD1 4.04Å; I575-L578 HydrophobicContact CB-CG 4.13Å; I575-L578 HydrophobicContact CD1-CD1 3.85Å; I575-L578 HydrophobicContact CG1-CD1 4.39Å; I575-L578 HydrophobicContact CG2-CB 4.5Å; I575-L578 HydrophobicContact CG2-CD1 4.36Å; I575-L578 HydrophobicContact CG2-CG 4.14Å; I575-L578 PolarHBondContact O-N 2.64Å; P576-L578 VanDerWaalsContact C-N 3.35Å; P576-L578 PolarHBondContact O-N 3.37Å; L578-E580 VanDerWaalsContact C-N 3.28Å; L578-E580 PolarHBondContact O-N 2.93Å; L578-K581 PolarHBondContact O-N 2.62Å; L578-K581 VanDerWaalsContact O-N 3.12Å; L578-I582 HydrophobicContact CB-CD1 4.15Å; L578-I582 VanDerWaalsContact O-CB 3.29Å; L578-I582 WeakPolarHBondContact O-CB 3.35Å; L578-I582 VanDerWaalsContact O-CG1 3.22Å; L578-I582 WeakPolarHBondContact O-CG1 3.3Å; L578-I582 PolarHBondContact O-N 2.92Å |
| 579 | S | 66.7 | Low | 70.1 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.3 | -43.1 | 174.7 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | W413 I575 P576 K581 I582 D583 | W413-S579 PolarHBondContact NE1-OG 3.49Å; I575-S579 PolarHBondContact O-N 3.31Å; P576-S579 PolarHBondContact O-N 3.49Å; S579-K581 VanDerWaalsContact C-N 3.3Å; S579-K581 PolarHBondContact O-N 2.96Å; S579-I582 PolarHBondContact O-N 3.3Å; S579-D583 WeakPolarHBondContact CA-OD2 3.17Å; S579-D583 WeakPolarHBondContact CB-OD2 3.4Å; S579-D583 WeakPolarHBondContact O-CB 3.5Å; S579-D583 PolarHBondContact O-N 3.25Å; S579-D583 PolarHBondContact OG-OD2 2.76Å |
| 580 | E | 68.3 | Low | 72.1 | Confident | 107 Ų | 107 | 53.2 Ų | 53.2 | 50% | 0.5 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.3 | -31.4 | 176.7 | -78.7 | -172.6 | 170.6 | 0 | 0 | 114.9 | W413 P576 L578 | W413-E580 HydrophobicContact CH2-CG 4.46Å; W413-E580 HydrophobicContact CZ2-CG 3.97Å; P576-E580 WeakPolarHBondContact O-CG 3.48Å; P576-E580 PolarHBondContact O-N 3.19Å; L578-E580 VanDerWaalsContact C-N 3.28Å; L578-E580 PolarHBondContact O-N 2.93Å |
| 581 | K | 68 | Low | 73.8 | Confident | 166 Ų | 166 | 51.4 Ų | 51.4 | 72% | 0.722 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -86.3 | -34.6 | -179.8 | -72.4 | -174.3 | 177.6 | -173.5 | 0 | 112.8 | L578 S579 | L578-K581 PolarHBondContact O-N 2.62Å; L578-K581 VanDerWaalsContact O-N 3.12Å; S579-K581 VanDerWaalsContact C-N 3.3Å; S579-K581 PolarHBondContact O-N 2.96Å |
| 582 | I | 67.5 | Low | 75.5 | Confident | 18 Ų | 18 | 49.5 Ų | 49.5 | 9% | 0.092 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -93.3 | -46.2 | -169.1 | -64.4 | 173.3 | 0 | 0 | 0 | 109.7 | Y567 L570 L578 S579 | Y567-I582 HydrophobicContact CD1-CG2 4.42Å; Y567-I582 HydrophobicContact CD2-CG2 3.47Å; Y567-I582 VanDerWaalsContact CD2-CG2 3.47Å; Y567-I582 HydrophobicContact CE1-CG2 4.2Å; Y567-I582 HydrophobicContact CE2-CB 4.47Å; Y567-I582 HydrophobicContact CE2-CG2 3.17Å; Y567-I582 WeakPolarHBondContact CE2-O 3.37Å; Y567-I582 HydrophobicContact CG-CG2 4.11Å; Y567-I582 PolarHBondContact OH-O 2.76Å; L570-I582 HydrophobicContact CB-CD1 4.36Å; L570-I582 HydrophobicContact CD1-CD1 3.5Å; L570-I582 VanDerWaalsContact CD1-CD1 3.5Å; L570-I582 HydrophobicContact CG-CD1 4.45Å; L578-I582 HydrophobicContact CB-CD1 4.15Å; L578-I582 VanDerWaalsContact O-CB 3.29Å; L578-I582 WeakPolarHBondContact O-CB 3.35Å; L578-I582 VanDerWaalsContact O-CG1 3.22Å; L578-I582 WeakPolarHBondContact O-CG1 3.3Å; L578-I582 PolarHBondContact O-N 2.92Å; S579-I582 PolarHBondContact O-N 3.3Å |
| 583 | D | 71.2 | Confident | 77.3 | Confident | 11 Ų | 11 | 50.6 Ų | 50.6 | 6% | 0.059 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -74.9 | 130.8 | -170.1 | -67.8 | -52.8 | 0 | 0 | 0 | 112.6 | L547 Y567 R571 S579 K585 | L547-D583 HydrophobicContact CD1-CB 4.26Å; L547-D583 HydrophobicContact CD2-CB 3.52Å; L547-D583 HydrophobicContact CG-CB 4.49Å; Y567-D583 WeakPolarHBondContact OH-CA 3.43Å; R571-D583 WeakPolarHBondContact CG-OD1 3.49Å; R571-D583 IonicContact CZ-OD1 2.73Å; R571-D583 IonicContact NE-OD1 3.31Å; R571-D583 PolarHBondContact NE-OD1 3.48Å; R571-D583 IonicContact NH2-OD1 3.6Å; R571-D583 PolarHBondContact NH2-OD1 3.14Å; S579-D583 WeakPolarHBondContact CA-OD2 3.17Å; S579-D583 WeakPolarHBondContact CB-OD2 3.4Å; S579-D583 WeakPolarHBondContact O-CB 3.5Å; S579-D583 PolarHBondContact O-N 3.25Å; S579-D583 PolarHBondContact OG-OD2 2.76Å; D583-K585 PolarHBondContact O-N 2.9Å |
| 584 | H | 75.2 | Confident | 78.8 | Confident | 83 Ų | 83 | 53.2 Ų | 53.2 | 38% | 0.384 | 25% | 0.247 | S | C | . | . | trans | -68.4 | 115.5 | 171.4 | -165.6 | -78.7 | 0 | 0 | 0 | 110.4 | N551 Y567 | N551-H584 HydrophobicContact CB-CB 4.29Å; N551-H584 WeakPolarHBondContact O-CB 3.21Å; Y567-H584 PolarHBondContact OH-N 3.25Å | ||
| 585 | K | 82.6 | Confident | 79.7 | Confident | 105 Ų | 105 | 56.7 Ų | 56.7 | 46% | 0.457 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 141.1 | 177.3 | 66 | -171.2 | 179.1 | -173 | 0 | 110.2 | W413 T545 T546 D583 | W413-K585 HydrophobicContact CH2-CB 4.42Å; W413-K585 HydrophobicContact CH2-CD 4.4Å; W413-K585 HydrophobicContact CZ3-CB 4.08Å; T545-K585 HydrophobicContact CG2-CD 4.29Å; T546-K585 WeakPolarHBondContact O-CA 3.24Å; D583-K585 PolarHBondContact O-N 2.9Å |
| 586 | I | 88.7 | Confident | 79.7 | Confident | 8 Ų | 8 | 55 Ų | 55 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 154.9 | 170.2 | 61.9 | 172.9 | 0 | 0 | 0 | 108.6 | R520 T545 T546 E548 | R520-I586 HydrophobicContact CB-CD1 4.16Å; R520-I586 HydrophobicContact CG-CD1 4.26Å; T545-I586 CarbonylContact C-O 3.28Å; T545-I586 VanDerWaalsContact CA-O 3.27Å; T545-I586 WeakPolarHBondContact CA-O 3.48Å; T546-I586 HydrophobicContact CG2-CD1 4.13Å; T546-I586 HydrophobicContact CG2-CG1 3.68Å; T546-I586 PolarHBondContact N-O 3.46Å; T546-I586 PolarHBondContact O-N 2.91Å; E548-I586 HydrophobicContact CB-CD1 4.03Å; E548-I586 HydrophobicContact CB-CG1 4.35Å; E548-I586 HydrophobicContact CB-CG2 4.3Å; E548-I586 HydrophobicContact CG-CD1 4.16Å |
| 587 | Y | 93.4 | Very high | 79.3 | Confident | 98 Ų | 98 | 58.3 Ų | 58.3 | 38% | 0.384 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 131.6 | 172.1 | -69.6 | -89.8 | 0 | 0 | 0 | 109.6 | R520 D521 T545 H589 | R520-Y587 CarbonylContact C-O 3.56Å; R520-Y587 VanDerWaalsContact CA-O 3.25Å; R520-Y587 WeakPolarHBondContact CA-O 3.14Å; D521-Y587 PolarHBondContact N-O 3.18Å; T545-Y587 HydrophobicContact CG2-CD1 3.68Å; T545-Y587 HydrophobicContact CG2-CE1 3.36Å; T545-Y587 HydrophobicContact CG2-CE2 4.39Å; T545-Y587 HydrophobicContact CG2-CG 4.31Å; Y587-H589 WeakPolarHBondContact CB-NE2 3.49Å; Y587-H589 PolarHBondContact O-CD2 3.03Å |
| 588 | L | 94.8 | Very high | 78.5 | Confident | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 130.9 | 166.5 | -169.2 | 70.3 | 0 | 0 | 0 | 106.9 | P417 L420 L518 R520 N543 R544 T546 | P417-L588 HydrophobicContact CB-CD2 4.49Å; P417-L588 HydrophobicContact CG-CD2 4.02Å; L420-L588 HydrophobicContact CD1-CB 3.83Å; L420-L588 HydrophobicContact CD1-CD2 3.48Å; L420-L588 VanDerWaalsContact CD1-CD2 3.48Å; L420-L588 HydrophobicContact CD1-CG 3.38Å; L518-L588 HydrophobicContact CD1-CD1 4.03Å; L518-L588 HydrophobicContact CD1-CD2 4.05Å; L518-L588 HydrophobicContact CD1-CG 3.84Å; L518-L588 HydrophobicContact CG-CD1 4.25Å; R520-L588 HydrophobicContact CB-CD1 3.8Å; N543-L588 CarbonylContact C-O 3.53Å; N543-L588 VanDerWaalsContact CA-O 3.22Å; N543-L588 WeakPolarHBondContact CA-O 3.33Å; R544-L588 PolarHBondContact N-O 3.06Å; R544-L588 PolarHBondContact O-N 3.23Å; T546-L588 HydrophobicContact CG2-CB 4.27Å |
| 589 | H | 96.1 | Very high | 77.5 | Confident | 10 Ų | 10 | 62.3 Ų | 62.3 | 5% | 0.046 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 135.9 | -173.8 | -65.7 | -99.3 | 0 | 0 | 0 | 110.1 | D519 D521 V532 S540 N543 Y587 L591 | D519-H589 PolarHBondContact N-O 3.49Å; D519-H589 PolarHBondContact O-N 3.47Å; D521-H589 VanDerWaalsContact CG-NE2 3.31Å; D521-H589 IonicContact OD1-CD2 2.96Å; D521-H589 PolarHBondContact OD1-CD2 3.37Å; D521-H589 IonicContact OD1-NE2 2.82Å; D521-H589 PolarHBondContact OD1-NE2 3.2Å; D521-H589 IonicContact OD2-CD2 3.83Å; D521-H589 IonicContact OD2-CE1 2.93Å; D521-H589 IonicContact OD2-NE2 2.65Å; D521-H589 PolarHBondContact OD2-NE2 2.88Å; V532-H589 HydrophobicContact CG2-CB 4.04Å; S540-H589 WeakPolarHBondContact CB-ND1 3.4Å; S540-H589 PolarHBondContact OG-ND1 2.88Å; N543-H589 WeakPolarHBondContact CB-ND1 3.33Å; Y587-H589 WeakPolarHBondContact CB-NE2 3.49Å; Y587-H589 PolarHBondContact O-CD2 3.03Å; H589-L591 HydrophobicContact CB-CD2 3.84Å; H589-L591 HydrophobicContact CB-CG 4.09Å |
| 590 | M | 96.5 | Very high | 76.1 | Confident | 4 Ų | 4 | 69.8 Ų | 69.8 | 2% | 0.02 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 107.2 | 154 | -169.8 | 61.5 | 63.2 | 0 | 0 | 106.9 | L420 L421 L424 L436 L518 L541 V542 | L420-M590 HydrophobicContact CB-CB 4.33Å; L420-M590 HydrophobicContact CB-CE 4.12Å; L420-M590 HydrophobicContact CD2-CB 4.49Å; L421-M590 HydrophobicContact CD1-CE 4.45Å; L424-M590 HydrophobicContact CD1-CE 4.35Å; L424-M590 HydrophobicContact CD2-CG 3.54Å; L424-M590 HydrophobicContact CD2-SD 3.92Å; L424-M590 HydrophobicContact CG-CE 4.47Å; L424-M590 HydrophobicContact CG-CG 4.18Å; L424-M590 HydrophobicContact CG-SD 4.44Å; L436-M590 HydrophobicContact CD1-CE 4.09Å; L436-M590 HydrophobicContact CD1-SD 3.63Å; L518-M590 HydrophobicContact CD1-CE 4.13Å; L541-M590 WeakPolarHBondContact CB-O 3.29Å; L541-M590 PolarHBondContact N-O 2.76Å; V542-M590 HydrophobicContact CG1-CB 3.63Å; V542-M590 HydrophobicContact CG1-CG 4.5Å; V542-M590 PolarHBondContact N-O 2.72Å; V542-M590 PolarHBondContact O-N 3.37Å |
| 591 | L | 95.5 | Very high | 76.5 | Confident | 3 Ų | 3 | 67.9 Ų | 67.9 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 139.7 | 177.5 | -61.1 | 178.8 | 0 | 0 | 0 | 109.7 | Y516 I517 D519 V532 W538 F539 H589 | Y516-L591 CarbonylContact C-O 3.39Å; Y516-L591 WeakPolarHBondContact CA-O 3.47Å; I517-L591 HydrophobicContact CG2-CB 3.71Å; I517-L591 HydrophobicContact CG2-CD1 4.04Å; I517-L591 HydrophobicContact CG2-CG 4.38Å; I517-L591 PolarHBondContact N-O 3.38Å; I517-L591 PolarHBondContact O-N 3.05Å; D519-L591 HydrophobicContact CB-CD1 4.08Å; V532-L591 HydrophobicContact CB-CD1 4.39Å; V532-L591 HydrophobicContact CG2-CD1 3.84Å; V532-L591 HydrophobicContact CG2-CD2 4.16Å; V532-L591 HydrophobicContact CG2-CG 4.29Å; W538-L591 HydrophobicContact CB-CB 4.19Å; W538-L591 HydrophobicContact CB-CD1 4.09Å; W538-L591 HydrophobicContact CD2-CB 4.36Å; W538-L591 HydrophobicContact CE3-CB 3.95Å; W538-L591 HydrophobicContact CG-CB 4.46Å; W538-L591 HydrophobicContact CG-CD1 4.27Å; F539-L591 CarbonylContact O-C 3.56Å; F539-L591 WeakPolarHBondContact O-CA 3.43Å; H589-L591 HydrophobicContact CB-CD2 3.84Å; H589-L591 HydrophobicContact CB-CG 4.09Å |
| 592 | A | 95 | Very high | 77 | Confident | 4 Ų | 4 | 62.7 Ų | 62.7 | 3% | 0.033 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 145 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y516 W538 F539 L541 | Y516-A592 HydrophobicContact CD1-CB 3.74Å; Y516-A592 HydrophobicContact CE1-CB 3.67Å; W538-A592 WeakPolarHBondContact CA-O 3.17Å; F539-A592 HydrophobicContact CD1-CB 4.36Å; F539-A592 WeakPolarHBondContact CD1-O 3.45Å; F539-A592 HydrophobicContact CE1-CB 3.76Å; F539-A592 HydrophobicContact CE2-CB 4.07Å; F539-A592 HydrophobicContact CZ-CB 3.61Å; F539-A592 PolarHBondContact N-O 2.98Å; F539-A592 PolarHBondContact O-N 3.18Å; L541-A592 HydrophobicContact CB-CB 4.13Å |
| 593 | R | 92.3 | Very high | 77.5 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 18% | 0.177 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 136.2 | 177.1 | -168.7 | 174 | 168.4 | 179.4 | -3.3 | 110.8 | S511 N512 T515 T537 W538 D595 N596 | S511-R593 PolarHBondContact O-NH1 2.92Å; N512-R593 VanDerWaalsContact C-NH1 3.29Å; N512-R593 VanDerWaalsContact CA-NH1 3.35Å; N512-R593 PolarHBondContact O-NH1 3.45Å; T515-R593 PolarHBondContact O-N 3.46Å; T537-R593 WeakPolarHBondContact O-CA 3.27Å; W538-R593 HydrophobicContact CE3-CB 3.96Å; W538-R593 HydrophobicContact CH2-CB 4.09Å; W538-R593 HydrophobicContact CZ3-CB 3.63Å; W538-R593 HydrophobicContact CZ3-CG 4.49Å; R593-D595 VanDerWaalsContact C-N 3.26Å; R593-D595 HydrophobicContact CG-CB 4.48Å; R593-D595 IonicContact CZ-OD2 3.77Å; R593-D595 IonicContact NE-OD2 3.74Å; R593-D595 PolarHBondContact NE-OD2 3.36Å; R593-D595 IonicContact NH2-OD2 2.87Å; R593-D595 PolarHBondContact NH2-OD2 3.29Å; R593-D595 PolarHBondContact O-N 3.46Å; R593-N596 PolarHBondContact O-N 3.15Å |
| 594 | Y | 88.9 | Confident | 77.9 | Confident | 112 Ų | 112 | 68.4 Ų | 68.4 | 44% | 0.439 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -56.4 | -36.5 | -178.6 | -78.6 | -73.3 | 0 | 0 | 0 | 113.9 | Q535 T537 F539 N596 E597 | Q535-Y594 WeakPolarHBondContact O-CE2 3.44Å; T537-Y594 WeakPolarHBondContact O-CD2 3.32Å; T537-Y594 PolarHBondContact O-N 3.14Å; F539-Y594 HydrophobicContact CB-CE1 4.06Å; F539-Y594 HydrophobicContact CB-CE2 4.11Å; F539-Y594 AromaticContact CD1-CD1 3.75Å; F539-Y594 HydrophobicContact CD1-CD1 3.75Å; F539-Y594 HydrophobicContact CD1-CD2 4.33Å; F539-Y594 AromaticContact CD1-CE1 3.78Å; F539-Y594 HydrophobicContact CD1-CE1 3.78Å; F539-Y594 HydrophobicContact CD1-CE2 4.35Å; F539-Y594 HydrophobicContact CD1-CG 4.05Å; F539-Y594 HydrophobicContact CE1-CD1 4.24Å; F539-Y594 HydrophobicContact CG-CE1 4.17Å; Y594-N596 PolarHBondContact O-N 3.31Å; Y594-E597 PolarHBondContact O-N 3.3Å |
| 595 | D | 79.3 | Confident | 78 | Confident | 96 Ų | 96 | 67.5 Ų | 67.5 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -58.3 | -16.8 | -178.1 | -59.3 | -28.6 | 0 | 0 | 0 | 113.7 | R593 | R593-D595 VanDerWaalsContact C-N 3.26Å; R593-D595 HydrophobicContact CG-CB 4.48Å; R593-D595 IonicContact CZ-OD2 3.77Å; R593-D595 IonicContact NE-OD2 3.74Å; R593-D595 PolarHBondContact NE-OD2 3.36Å; R593-D595 IonicContact NH2-OD2 2.87Å; R593-D595 PolarHBondContact NH2-OD2 3.29Å; R593-D595 PolarHBondContact O-N 3.46Å |
| 596 | N | 65.4 | Low | 77.7 | Confident | 45 Ų | 45 | 65 Ų | 65 | 24% | 0.241 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -86.5 | -24.7 | -179.4 | -66 | -52.6 | 0 | 0 | 0 | 114.9 | T515 R593 Y594 L598 T599 | T515-N596 WeakPolarHBondContact CG2-ND2 3.2Å; T515-N596 PolarHBondContact O-ND2 2.72Å; R593-N596 PolarHBondContact O-N 3.15Å; Y594-N596 PolarHBondContact O-N 3.31Å; N596-L598 PolarHBondContact O-N 2.99Å; N596-T599 PolarHBondContact O-N 3.43Å; N596-T599 PolarHBondContact O-OG1 3.08Å |
| 597 | E | 51.1 | Low | 77 | Confident | 122 Ų | 122 | 69.1 Ų | 69.1 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -67.9 | -17.1 | -179.3 | -81.8 | -163.2 | 165.8 | 0 | 0 | 112.7 | F539 Y594 T599 | F539-E597 HydrophobicContact CE1-CG 4.42Å; F539-E597 HydrophobicContact CZ-CG 4.12Å; F539-E597 WeakPolarHBondContact CZ-OE1 3.28Å; Y594-E597 PolarHBondContact O-N 3.3Å; E597-T599 PolarHBondContact O-N 3Å |
| 598 | L | 46.4 | Very low | 75.7 | Confident | 161 Ų | 161 | 66.8 Ų | 66.8 | 84% | 0.843 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -67.1 | -2.7 | 169.8 | -70.4 | 168.1 | 0 | 0 | 0 | 113.5 | N596 | N596-L598 PolarHBondContact O-N 2.99Š|
| 599 | T | 43.7 | Very low | 74.1 | Confident | 102 Ų | 102 | 72.3 Ų | 72.3 | 63% | 0.626 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -125.6 | 1.8 | -176.9 | 60.7 | 0 | 0 | 0 | 0 | 115.8 | N596 E597 | N596-T599 PolarHBondContact O-N 3.43Å; N596-T599 PolarHBondContact O-OG1 3.08Å; E597-T599 PolarHBondContact O-N 3Å |
| 600 | V | 38.9 | Very low | 72.1 | Confident | 162 Ų | 162 | 78 Ų | 78 | 98% | 0.982 | 41% | 0.405 | S | S | * | . | trans | -102.4 | 0 | 169.7 | -177.5 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 600 of 600 residues in 278.2 ms
(Link to these results)